A0A093I444_STRCA Loading...

40S ribosomal protein S3a

AlphaFold DB , UniProt , Accession A0A093I444, Species STRCA (Struthio camelus australis), Gene n/a, Length 243 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
1V81.3Confident93.1Very high158 Ų15887.7 Ų87.796%0.95845%0.447SS*.  0125.50176.20000108.6
2D91.8Very high93.4Very high90 Ų9080.7 Ų80.748%0.48141%0.411SS..  trans-62.3125.1-178.8176.86000111.8F4 S5D2-F4 PolarHBondContact O-N 3.07Å; D2-F4 WeakPolarHBondContact OD1-CD2 3.25Å; D2-F4 PolarHBondContact OD1-N 3.45Å; D2-S5 PolarHBondContact O-N 3.28Å; D2-S5 PolarHBondContact O-OG 3.48Å
3P91.3Very high93.6Very high90 Ų9077.8 Ų77.858%0.58439%0.394SS*.G310 helixtrans-55.9-28.7174-25.935.4000115.5K6P3-K6 PolarHBondContact O-N 2.87Å
4F94Very high93.7Very high140 Ų14072.3 Ų72.361%0.61437%0.366SS*.G310 helixtrans-72.7-30.6-179.7-71.8-75.3000112.8D2 K6 K7D2-F4 PolarHBondContact O-N 3.07Å; D2-F4 WeakPolarHBondContact OD1-CD2 3.25Å; D2-F4 PolarHBondContact OD1-N 3.45Å; F4-K6 PolarHBondContact O-N 2.91Å; F4-K7 HydrophobicContact CD1-CD 4.13Å; F4-K7 PolarHBondContact O-N 3.46Å
5S93.3Very high93.7Very high61 Ų6167.5 Ų67.543%0.42734%0.341SS..G310 helixtrans-59.2-20.8175.270.60000113.2D2 R30D2-S5 PolarHBondContact O-N 3.28Å; D2-S5 PolarHBondContact O-OG 3.48Å; S5-R30 PolarHBondContact O-NH2 3.39Å
6K93.5Very high93.7Very high82 Ų8266.1 Ų66.136%0.35734%0.343SS..G310 helixtrans-93.66.1-179.6-59.1-178.2-180-177.80113.7P3 F4 T29 R30P3-K6 PolarHBondContact O-N 2.87Å; F4-K6 PolarHBondContact O-N 2.91Å; K6-T29 HydrophobicContact CB-CG2 4.45Å; K6-R30 PolarHBondContact O-N 2.86Å
7K95.6Very high93.4Very high62 Ų6262.9 Ų62.927%0.2733%0.327SS..EExtended strand (participates in β ladder)trans-108.4144.1-176.7-63-178.5-176.7-70.10111.7F4 L27 V28 T29F4-K7 HydrophobicContact CD1-CD 4.13Å; F4-K7 PolarHBondContact O-N 3.46Å; K7-L27 HydrophobicContact CB-CD1 4.44Å; K7-L27 HydrophobicContact CD-CD1 3.58Å; K7-L27 HydrophobicContact CD-CG 4.2Å; K7-V28 CarbonylContact C-O 3.5Å; K7-V28 VanDerWaalsContact CA-O 3.25Å; K7-V28 WeakPolarHBondContact CA-O 3.39Å; K7-T29 PolarHBondContact NZ-OG1 3.2Å; K7-T29 VanDerWaalsContact NZ-OG1 3.14Å
8D94.3Very high93.3Very high62 Ų6259.6 Ų59.633%0.33231%0.31SS..EExtended strand (participates in β ladder)trans-116.2148175.4-68.3-2.6000110.1Y10 L27 V28 R30D8-Y10 HydrophobicContact CB-CE2 3.97Å; D8-L27 WeakPolarHBondContact O-CA 3.49Å; D8-V28 PolarHBondContact N-O 3.43Å; D8-V28 PolarHBondContact O-N 3.22Å; D8-R30 HydrophobicContact CB-CG 4.31Å; D8-R30 WeakPolarHBondContact OD1-CD 3.27Å; D8-R30 VanDerWaalsContact OD1-CG 3.26Å; D8-R30 WeakPolarHBondContact OD1-CG 3.32Å; D8-R30 IonicContact OD1-NE 2.64Å; D8-R30 PolarHBondContact OD1-NE 3.4Å; D8-R30 WeakPolarHBondContact OD2-CD 3.4Å; D8-R30 WeakPolarHBondContact OD2-CG 3.35Å
9W96.1Very high93.2Very high151 Ų15162.3 Ų62.357%0.57232%0.324SS*.EExtended strand (participates in β ladder)trans-95.1138179-67.192.3000111.6K25 L27W9-K25 HydrophobicContact CE3-CB 3.71Å; W9-K25 HydrophobicContact CZ3-CB 4.14Å; W9-L27 HydrophobicContact CD2-CB 4.12Å; W9-L27 HydrophobicContact CE3-CB 4.01Å; W9-L27 HydrophobicContact CH2-CD1 4.49Å; W9-L27 HydrophobicContact CH2-CD2 4.41Å; W9-L27 HydrophobicContact CZ2-CD1 4.41Å; W9-L27 HydrophobicContact CZ3-CB 4.25Å; W9-L27 HydrophobicContact CZ3-CD2 4.28Å
10Y96.4Very high93.2Very high35 Ų3561.9 Ų61.914%0.13732%0.322CS..EExtended strand (participates in β ladder)trans-125.1146.2179-70.8-107.1000109.8D8 K25 T26 V28 L41 V70 G72 K73D8-Y10 HydrophobicContact CB-CE2 3.97Å; Y10-K25 CarbonylContact O-C 3.57Å; Y10-K25 WeakPolarHBondContact O-CA 3.39Å; Y10-T26 PolarHBondContact N-O 3.39Å; Y10-T26 PolarHBondContact O-N 3.03Å; Y10-V28 HydrophobicContact CD2-CG1 3.85Å; Y10-V28 HydrophobicContact CE2-CG1 3.46Å; Y10-V28 VanDerWaalsContact CE2-CG1 3.46Å; Y10-L41 HydrophobicContact CD1-CD1 3.59Å; Y10-L41 HydrophobicContact CD2-CD1 3.78Å; Y10-L41 HydrophobicContact CE1-CD1 3.7Å; Y10-L41 HydrophobicContact CE2-CD1 3.92Å; Y10-L41 HydrophobicContact CG-CD1 3.65Å; Y10-V70 HydrophobicContact CD1-CG1 3.98Å; Y10-V70 HydrophobicContact CE1-CG1 3.88Å; Y10-G72 VanDerWaalsContact CE1-O 3.29Å; Y10-G72 WeakPolarHBondContact CE1-O 3.49Å; Y10-K73 CarbonylContact C-O 3.57Å; Y10-K73 VanDerWaalsContact CA-O 3.32Å; Y10-K73 WeakPolarHBondContact CA-O 3.23Å; Y10-K73 WeakPolarHBondContact CB-O 3.22Å
11D96.1Very high93.1Very high34 Ų3463.5 Ų63.518%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-89.6129.5176.1-72-49.3000110.4K25 K73 N74 C75D11-K25 WeakPolarHBondContact OD1-CG 3.19Å; D11-K25 IonicContact OD1-NZ 3.23Å; D11-K25 PolarHBondContact OD1-NZ 2.88Å; D11-K25 IonicContact OD2-NZ 2.66Å; D11-K73 PolarHBondContact N-O 3.46Å; D11-N74 CarbonylContact O-C 3.48Å; D11-N74 WeakPolarHBondContact O-CA 3.46Å; D11-C75 PolarHBondContact O-N 3.37Å
12V96.8Very high93.7Very high3 Ų359.8 Ų59.82%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-94.8121.6178.8-1710000109.3I23 G24 T26 F46 C75 T77V12-I23 HydrophobicContact CB-CB 4.37Å; V12-I23 HydrophobicContact CG1-CB 4.45Å; V12-I23 HydrophobicContact CG1-CD1 3.97Å; V12-I23 PolarHBondContact O-N 3.42Å; V12-G24 PolarHBondContact N-O 3.46Å; V12-T26 HydrophobicContact CG2-CG2 3.64Å; V12-F46 HydrophobicContact CB-CE2 4.41Å; V12-F46 HydrophobicContact CG1-CD2 3.67Å; V12-F46 HydrophobicContact CG1-CE2 3.56Å; V12-F46 HydrophobicContact CG1-CG 4.4Å; V12-F46 HydrophobicContact CG1-CZ 4.26Å; V12-F46 HydrophobicContact CG2-CE1 4.3Å; V12-F46 HydrophobicContact CG2-CE2 3.89Å; V12-F46 HydrophobicContact CG2-CZ 3.74Å; V12-C75 HydrophobicContact CG2-CB 4.45Å; V12-T77 HydrophobicContact CG1-CG2 3.43Å; V12-T77 VanDerWaalsContact CG1-CG2 3.43Å
13K96.1Very high93.8Very high44 Ų4457.7 Ų57.719%0.19129%0.287CS..EExtended strand (participates in β ladder)trans-106.6127.4-177.3-59-58.1-176.6-169.90111.8R21 N22 N74 C75 L76 T77 H211K13-R21 CarbonylContact C-O 3.56Å; K13-R21 VanDerWaalsContact CA-O 3.25Å; K13-R21 WeakPolarHBondContact CA-O 3.45Å; K13-N22 PolarHBondContact NZ-OD1 2.97Å; K13-N74 WeakPolarHBondContact CE-OD1 3.28Å; K13-N74 HydrophobicContact CG-CB 4.29Å; K13-C75 PolarHBondContact N-O 3.31Å; K13-L76 HydrophobicContact CB-CD2 4.23Å; K13-T77 WeakPolarHBondContact O-CB 3.37Å; K13-T77 PolarHBondContact O-N 3.26Å; K13-T77 VanDerWaalsContact O-N 3.13Å; K13-T77 PolarHBondContact O-OG1 2.9Å; K13-H211 PolarHBondContact O-CE1 2.99Å
14A95.1Very high93.9Very high0 Ų054.7 Ų54.70%027%0.273CS..  trans-74.8151.7169.700000110.9F18 R21 I23 L53 L65 H211A14-F18 HydrophobicContact CB-CD2 4.13Å; A14-R21 PolarHBondContact N-O 3.3Å; A14-R21 PolarHBondContact O-NE 3.1Å; A14-I23 HydrophobicContact CB-CD1 3.81Å; A14-I23 HydrophobicContact CB-CG1 3.89Å; A14-L53 HydrophobicContact CB-CD2 4.07Å; A14-L65 HydrophobicContact CB-CD1 4.29Å; A14-H211 VanDerWaalsContact C-CE1 3.49Å; A14-H211 PolarHBondContact O-CE1 3.23Å; A14-H211 VanDerWaalsContact O-CE1 3.31Å; A14-H211 PolarHBondContact O-ND1 3.06Å
15P94.4Very high94Very high0 Ų054.1 Ų54.10%027%0.27CS..  trans-57.9160.1168.8-20.930.3000112.9M17 F18 T77P15-M17 HydrophobicContact CB-CE 3.43Å; P15-M17 VanDerWaalsContact CB-CE 3.43Å; P15-M17 HydrophobicContact CG-CE 3.71Å; P15-M17 PolarHBondContact O-N 3.47Å; P15-F18 PolarHBondContact O-N 3.48Å; P15-T77 WeakPolarHBondContact CG-O 3.3Å
16A92.4Very high94.2Very high45 Ų4551.7 Ų51.737%0.37225%0.253SS..THydrogen-bonded Turntrans-67.4-2179.300000114.7F18 L210A16-F18 PolarHBondContact O-N 3.37Å; A16-L210 WeakPolarHBondContact CB-O 2.95Å; A16-L210 PolarHBondContact N-O 3.28Å
17M90Very high94.2Very high13 Ų1350.4 Ų50.46%0.06425%0.249CC..THydrogen-bonded Turntrans-68.6-18.6171.3-62173.4-75.900112.6P15 K161 V164 I168P15-M17 HydrophobicContact CB-CE 3.43Å; P15-M17 VanDerWaalsContact CB-CE 3.43Å; P15-M17 HydrophobicContact CG-CE 3.71Å; P15-M17 PolarHBondContact O-N 3.47Å; M17-K161 HydrophobicContact CG-CG 4Å; M17-K161 HydrophobicContact SD-CB 4.33Å; M17-K161 HydrophobicContact SD-CG 4.16Å; M17-V164 HydrophobicContact CB-CG1 4.32Å; M17-V164 HydrophobicContact CE-CB 4.47Å; M17-V164 HydrophobicContact CE-CG1 4.32Å; M17-V164 HydrophobicContact CE-CG2 4.47Å; M17-V164 HydrophobicContact SD-CB 3.54Å; M17-V164 VanDerWaalsContact SD-CB 3.54Å; M17-V164 HydrophobicContact SD-CG1 3.68Å; M17-V164 HydrophobicContact SD-CG2 4.03Å; M17-I168 WeakPolarHBondContact O-CD1 3.19Å
18F91.7Very high94.3Very high3 Ų348 Ų481%0.01324%0.24CC..SBendtrans-111.9143179.8-56.8-72.5000110.1A14 P15 A16 L50 L53 F63 L65 V164 I168A14-F18 HydrophobicContact CB-CD2 4.13Å; P15-F18 PolarHBondContact O-N 3.48Å; A16-F18 PolarHBondContact O-N 3.37Å; F18-L50 HydrophobicContact CD1-CD1 4.44Å; F18-L50 HydrophobicContact CE1-CD1 4.2Å; F18-L53 HydrophobicContact CB-CB 4.1Å; F18-L53 HydrophobicContact CD1-CB 3.64Å; F18-L53 HydrophobicContact CD1-CD1 3.98Å; F18-L53 HydrophobicContact CD1-CG 4.35Å; F18-L53 HydrophobicContact CD2-CD1 4.41Å; F18-L53 HydrophobicContact CE1-CB 4.26Å; F18-L53 HydrophobicContact CE1-CD1 3.83Å; F18-L53 HydrophobicContact CE2-CD1 4.28Å; F18-L53 HydrophobicContact CG-CB 3.94Å; F18-L53 HydrophobicContact CG-CD1 4.26Å; F18-L53 HydrophobicContact CG-CD2 4.44Å; F18-L53 HydrophobicContact CG-CG 4.45Å; F18-L53 HydrophobicContact CZ-CD1 3.98Å; F18-F63 HydrophobicContact CE1-CD1 4.37Å; F18-F63 HydrophobicContact CE1-CD2 4.44Å; F18-F63 HydrophobicContact CE1-CE1 4.45Å; F18-F63 HydrophobicContact CE1-CG 4.37Å; F18-F63 AromaticContact CZ-CD1 3.86Å; F18-F63 HydrophobicContact CZ-CD1 3.86Å; F18-F63 HydrophobicContact CZ-CE1 4.21Å; F18-F63 HydrophobicContact CZ-CG 4.08Å; F18-L65 HydrophobicContact CE2-CD2 4.11Å; F18-V164 HydrophobicContact CZ-CG1 4.14Å; F18-I168 HydrophobicContact CD1-CD1 4.15Å; F18-I168 HydrophobicContact CE1-CD1 4.04Å; F18-I168 HydrophobicContact CE1-CG1 4.18Å
19N90.9Very high94.3Very high111 Ų11147.9 Ų47.959%0.59424%0.241SC*.SBendtrans-67.8-42.8178.4-65.1-6.1000111.1R21 L53 Q54N19-R21 PolarHBondContact O-N 3.17Å; N19-L53 PolarHBondContact N-O 3.49Å; N19-Q54 VanDerWaalsContact ND2-CD 3.28Å; N19-Q54 PolarHBondContact ND2-NE2 3.39Å; N19-Q54 VanDerWaalsContact ND2-NE2 3.17Å; N19-Q54 PolarHBondContact ND2-OE1 2.97Å; N19-Q54 VanDerWaalsContact ND2-OE1 3.07Å; N19-Q54 PolarHBondContact OD1-NE2 3.46Å; N19-Q54 PolarHBondContact OD1-OE1 3.44Å; N19-Q54 VanDerWaalsContact OD1-OE1 3.13Å
20I92.4Very high94.1Very high54 Ų5446.7 Ų46.728%0.27724%0.237SC..  trans-85.8104.1178.8-58.9171.5000108.9D52 L53 N55I20-D52 VanDerWaalsContact CD1-O 3.25Å; I20-D52 WeakPolarHBondContact CD1-O 3.41Å; I20-L53 WeakPolarHBondContact CB-O 3.43Å; I20-L53 PolarHBondContact N-O 3.03Å; I20-N55 WeakPolarHBondContact CD1-OD1 3.49Å
21R92.6Very high93.9Very high95 Ų9548.7 Ų48.736%0.35825%0.253SS..  trans-79.9-26.1179.9-74-157.660.2-178.3-3.7114.7K13 A14 N19 H211K13-R21 CarbonylContact C-O 3.56Å; K13-R21 VanDerWaalsContact CA-O 3.25Å; K13-R21 WeakPolarHBondContact CA-O 3.45Å; A14-R21 PolarHBondContact N-O 3.3Å; A14-R21 PolarHBondContact O-NE 3.1Å; N19-R21 PolarHBondContact O-N 3.17Å; R21-H211 PolarHBondContact NH1-O 2.79Å; R21-H211 PolarHBondContact NH2-ND1 3.32Å
22N93.4Very high93.6Very high81 Ų8152.3 Ų52.343%0.43327%0.268SS..EExtended strand (participates in β ladder)trans-96.4107.5-175.9-162.541.3000110.3K13K13-N22 PolarHBondContact NZ-OD1 2.97Å
23I92.9Very high93.3Very high46 Ų4656 Ų5624%0.23631%0.307CS..EExtended strand (participates in β ladder)trans-81.8-39.6-177.5-59.6165.9000110.5V12 A14 V48 L53 L65V12-I23 HydrophobicContact CB-CB 4.37Å; V12-I23 HydrophobicContact CG1-CB 4.45Å; V12-I23 HydrophobicContact CG1-CD1 3.97Å; V12-I23 PolarHBondContact O-N 3.42Å; A14-I23 HydrophobicContact CB-CD1 3.81Å; A14-I23 HydrophobicContact CB-CG1 3.89Å; I23-V48 HydrophobicContact CG2-CG1 4.29Å; I23-V48 HydrophobicContact CG2-CG2 3.51Å; I23-L53 HydrophobicContact CG1-CD2 4.06Å; I23-L65 HydrophobicContact CD1-CD1 3.47Å; I23-L65 VanDerWaalsContact CD1-CD1 3.47Å
24G94.3Very high93.1Very high27 Ų2760.5 Ų60.528%0.27834%0.339SS..EExtended strand (participates in β ladder)trans157.8-162.4-175.900000112.4V12V12-G24 PolarHBondContact N-O 3.46Å
25K96.1Very high92.8Very high127 Ų12768.6 Ų68.655%0.55237%0.374SS*.EExtended strand (participates in β ladder)trans-113.7145-179.5-60.4-172.8-179-70.20111.6W9 Y10 D11W9-K25 HydrophobicContact CE3-CB 3.71Å; W9-K25 HydrophobicContact CZ3-CB 4.14Å; Y10-K25 CarbonylContact O-C 3.57Å; Y10-K25 WeakPolarHBondContact O-CA 3.39Å; D11-K25 WeakPolarHBondContact OD1-CG 3.19Å; D11-K25 IonicContact OD1-NZ 3.23Å; D11-K25 PolarHBondContact OD1-NZ 2.88Å; D11-K25 IonicContact OD2-NZ 2.66Å
26T96.2Very high92.8Very high11 Ų1172.7 Ų72.77%0.06740%0.395CS..EExtended strand (participates in β ladder)trans-129.2141.2173.3-165.40000109.8Y10 V12 L41 R44 F46Y10-T26 PolarHBondContact N-O 3.39Å; Y10-T26 PolarHBondContact O-N 3.03Å; V12-T26 HydrophobicContact CG2-CG2 3.64Å; T26-L41 HydrophobicContact CG2-CD2 3.59Å; T26-R44 PolarHBondContact OG1-NH1 3.46Å; T26-F46 HydrophobicContact CG2-CZ 4.14Å
27L95.3Very high92.7Very high55 Ų5570.8 Ų70.829%0.28838%0.379SS..EExtended strand (participates in β ladder)trans-104.8143.6-179.972171.2000112.1K7 D8 W9 R44K7-L27 HydrophobicContact CB-CD1 4.44Å; K7-L27 HydrophobicContact CD-CD1 3.58Å; K7-L27 HydrophobicContact CD-CG 4.2Å; D8-L27 WeakPolarHBondContact O-CA 3.49Å; W9-L27 HydrophobicContact CD2-CB 4.12Å; W9-L27 HydrophobicContact CE3-CB 4.01Å; W9-L27 HydrophobicContact CH2-CD1 4.49Å; W9-L27 HydrophobicContact CH2-CD2 4.41Å; W9-L27 HydrophobicContact CZ2-CD1 4.41Å; W9-L27 HydrophobicContact CZ3-CB 4.25Å; W9-L27 HydrophobicContact CZ3-CD2 4.28Å; L27-R44 PolarHBondContact O-NH1 3.07Å; L27-R44 PolarHBondContact O-NH2 3.01Å
28V96.3Very high92.8Very high11 Ų1171.8 Ų71.87%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-138.6151.9172.667.50000109.5K7 D8 Y10 A37 L41K7-V28 CarbonylContact C-O 3.5Å; K7-V28 VanDerWaalsContact CA-O 3.25Å; K7-V28 WeakPolarHBondContact CA-O 3.39Å; D8-V28 PolarHBondContact N-O 3.43Å; D8-V28 PolarHBondContact O-N 3.22Å; Y10-V28 HydrophobicContact CD2-CG1 3.85Å; Y10-V28 HydrophobicContact CE2-CG1 3.46Å; Y10-V28 VanDerWaalsContact CE2-CG1 3.46Å; V28-A37 HydrophobicContact CG1-CB 3.92Å; V28-A37 HydrophobicContact CG2-CB 4.48Å; V28-L41 HydrophobicContact CB-CD1 4.36Å; V28-L41 HydrophobicContact CB-CD2 3.86Å; V28-L41 HydrophobicContact CB-CG 3.85Å; V28-L41 HydrophobicContact CG1-CD1 3.65Å; V28-L41 HydrophobicContact CG1-CD2 3.99Å; V28-L41 HydrophobicContact CG1-CG 3.7Å; V28-L41 HydrophobicContact CG2-CG 4.21Å
29T94.7Very high92.8Very high60 Ų6076.2 Ų76.237%0.36841%0.411SS..EExtended strand (participates in β ladder)trans-65.7138173.1-52.90000109.4K6 K7K6-T29 HydrophobicContact CB-CG2 4.45Å; K7-T29 PolarHBondContact NZ-OG1 3.2Å; K7-T29 VanDerWaalsContact NZ-OG1 3.14Å
30R93.1Very high92.9Very high125 Ų12572.9 Ų72.947%0.47240%0.402SS..PPolyproline II helixtrans-54.6147.3175-77.9-172-98.4166.9-2.1111.2S5 K6 D8 Q32S5-R30 PolarHBondContact O-NH2 3.39Å; K6-R30 PolarHBondContact O-N 2.86Å; D8-R30 HydrophobicContact CB-CG 4.31Å; D8-R30 WeakPolarHBondContact OD1-CD 3.27Å; D8-R30 VanDerWaalsContact OD1-CG 3.26Å; D8-R30 WeakPolarHBondContact OD1-CG 3.32Å; D8-R30 IonicContact OD1-NE 2.64Å; D8-R30 PolarHBondContact OD1-NE 3.4Å; D8-R30 WeakPolarHBondContact OD2-CD 3.4Å; D8-R30 WeakPolarHBondContact OD2-CG 3.35Å; R30-Q32 PolarHBondContact O-N 2.96Å
31T91.8Very high92.9Very high77 Ų7770.3 Ų70.347%0.47239%0.389SS..PPolyproline II helixtrans-55.4124.7176.4-61.80000109.8K35 A37T31-K35 WeakPolarHBondContact CA-O 3.38Å; T31-A37 WeakPolarHBondContact OG1-CB 3.4Å; T31-A37 PolarHBondContact OG1-N 3.24Å
32Q88.9Confident93Very high110 Ų11069.4 Ų69.451%0.51439%0.388SS..BIsolated β-bridgetrans-139120.5177.6-71.2-170.4-9.200109.3R30 T34 K35R30-Q32 PolarHBondContact O-N 2.96Å; Q32-T34 PolarHBondContact O-N 3.32Å; Q32-K35 PolarHBondContact N-O 2.97Å; Q32-K35 PolarHBondContact O-N 3.4Å
33G91.3Very high93.1Very high80 Ų8067.8 Ų67.883%0.82539%0.391SS*.THydrogen-bonded Turntrans57.6-123.4-176.800000111.5
34T91.1Very high93.2Very high140 Ų14069.2 Ų69.286%0.85939%0.393SS*.THydrogen-bonded Turntrans-82.9-7.2-177.353.90000114.6Q32Q32-T34 PolarHBondContact O-N 3.32Å
35K90.3Very high93.4Very high170 Ų17071 Ų7174%0.73940%0.398SS*.BIsolated β-bridgetrans-94.6104.3-179-67.2-177.7-179.4178.40110.2T31 Q32T31-K35 WeakPolarHBondContact CA-O 3.38Å; Q32-K35 PolarHBondContact N-O 2.97Å; Q32-K35 PolarHBondContact O-N 3.4Å
36I93.2Very high93.4Very high85 Ų8567 Ų6744%0.43638%0.381SS..  trans-83.2132.4178.2-46.5178.8000110S38 D39 G40I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 WeakPolarHBondContact CG2-OG 3.49Å; I36-S38 PolarHBondContact O-N 3.34Å; I36-D39 PolarHBondContact O-N 3.26Å; I36-G40 PolarHBondContact O-N 3.17Å
37A90.8Very high93.4Very high5 Ų570.6 Ų70.64%0.04140%0.397CS..Hα-helixtrans-60.3-36.3179.700000113.1V28 T31 D39 G40 L41V28-A37 HydrophobicContact CG1-CB 3.92Å; V28-A37 HydrophobicContact CG2-CB 4.48Å; T31-A37 WeakPolarHBondContact OG1-CB 3.4Å; T31-A37 PolarHBondContact OG1-N 3.24Å; A37-D39 VanDerWaalsContact C-N 3.29Å; A37-D39 PolarHBondContact O-N 3.29Å; A37-G40 PolarHBondContact O-N 3.21Å; A37-L41 WeakPolarHBondContact O-CG 3.45Å; A37-L41 PolarHBondContact O-N 3.05Å
38S92.1Very high93.5Very high34 Ų3468.7 Ų68.724%0.23839%0.388CS..Hα-helixtrans-59.1-40.3177.354.80000112.2I36 G40 L41 K42I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 WeakPolarHBondContact CG2-OG 3.49Å; I36-S38 PolarHBondContact O-N 3.34Å; S38-G40 VanDerWaalsContact C-N 3.3Å; S38-G40 PolarHBondContact O-N 3.3Å; S38-L41 WeakPolarHBondContact O-CB 3.45Å; S38-L41 PolarHBondContact O-N 3.02Å; S38-K42 WeakPolarHBondContact O-CG 3.36Å; S38-K42 PolarHBondContact O-N 3.39Å
39D92.1Very high93.5Very high97 Ų9769.3 Ų69.352%0.51939%0.392SS..Hα-helixtrans-71.4-31.4-176.4-60-10.6000111I36 A37 L41I36-D39 PolarHBondContact O-N 3.26Å; A37-D39 VanDerWaalsContact C-N 3.29Å; A37-D39 PolarHBondContact O-N 3.29Å; D39-L41 VanDerWaalsContact C-N 3.29Å
40G91.6Very high93.5Very high40 Ų4066.4 Ų66.441%0.41238%0.375SS..Hα-helixtrans-76.3-12.7171.800000114.6I36 A37 S38 R44I36-G40 PolarHBondContact O-N 3.17Å; A37-G40 PolarHBondContact O-N 3.21Å; S38-G40 VanDerWaalsContact C-N 3.3Å; S38-G40 PolarHBondContact O-N 3.3Å; G40-R44 PolarHBondContact O-NE 2.99Å; G40-R44 PolarHBondContact O-NH2 2.67Å
41L93.8Very high93.6Very high0 Ų062.1 Ų62.10%037%0.366CS..Hα-helixtrans-95.1-39.3175-77.2169.8000112.2Y10 T26 V28 A37 S38 D39 R44 T67 V70Y10-L41 HydrophobicContact CD1-CD1 3.59Å; Y10-L41 HydrophobicContact CD2-CD1 3.78Å; Y10-L41 HydrophobicContact CE1-CD1 3.7Å; Y10-L41 HydrophobicContact CE2-CD1 3.92Å; Y10-L41 HydrophobicContact CG-CD1 3.65Å; T26-L41 HydrophobicContact CG2-CD2 3.59Å; V28-L41 HydrophobicContact CB-CD1 4.36Å; V28-L41 HydrophobicContact CB-CD2 3.86Å; V28-L41 HydrophobicContact CB-CG 3.85Å; V28-L41 HydrophobicContact CG1-CD1 3.65Å; V28-L41 HydrophobicContact CG1-CD2 3.99Å; V28-L41 HydrophobicContact CG1-CG 3.7Å; V28-L41 HydrophobicContact CG2-CG 4.21Å; A37-L41 WeakPolarHBondContact O-CG 3.45Å; A37-L41 PolarHBondContact O-N 3.05Å; S38-L41 WeakPolarHBondContact O-CB 3.45Å; S38-L41 PolarHBondContact O-N 3.02Å; D39-L41 VanDerWaalsContact C-N 3.29Å; L41-R44 WeakPolarHBondContact O-CB 3.25Å; L41-R44 WeakPolarHBondContact O-CG 3.27Å; L41-R44 PolarHBondContact O-N 2.68Å; L41-T67 WeakPolarHBondContact O-CB 3.32Å; L41-V70 HydrophobicContact CB-CG2 3.87Å; L41-V70 HydrophobicContact CD1-CG1 4.23Å; L41-V70 HydrophobicContact CD1-CG2 4.18Å
42K94.8Very high93.7Very high77 Ų7763.4 Ų63.434%0.33537%0.37SS..THydrogen-bonded Turntrans-62142.4174.7-69.4-178.8-173-151.40110S38 R44 E68 D69 V70S38-K42 WeakPolarHBondContact O-CG 3.36Å; S38-K42 PolarHBondContact O-N 3.39Å; K42-R44 VanDerWaalsContact C-N 3.28Å; K42-R44 PolarHBondContact O-N 2.69Å; K42-E68 WeakPolarHBondContact CD-O 3.29Å; K42-D69 WeakPolarHBondContact CE-OD1 3.3Å; K42-D69 IonicContact NZ-OD1 2.72Å; K42-D69 PolarHBondContact NZ-OD1 2.86Å; K42-V70 HydrophobicContact CG-CG2 4.24Å
43G93.9Very high93.9Very high47 Ų4758.2 Ų58.249%0.48535%0.346SS..THydrogen-bonded Turntrans81.5-6.7-178.300000115.6V45 T67G43-V45 PolarHBondContact O-N 2.85Å; G43-T67 PolarHBondContact N-O 3.08Å
44R96.8Very high93.9Very high75 Ų7555.9 Ų55.928%0.28331%0.313SS..  trans-64.8135.8169.7-67.9-175.8-174.2-165.70.3110.1T26 L27 G40 L41 K42 F46 I66 T67T26-R44 PolarHBondContact OG1-NH1 3.46Å; L27-R44 PolarHBondContact O-NH1 3.07Å; L27-R44 PolarHBondContact O-NH2 3.01Å; G40-R44 PolarHBondContact O-NE 2.99Å; G40-R44 PolarHBondContact O-NH2 2.67Å; L41-R44 WeakPolarHBondContact O-CB 3.25Å; L41-R44 WeakPolarHBondContact O-CG 3.27Å; L41-R44 PolarHBondContact O-N 2.68Å; K42-R44 VanDerWaalsContact C-N 3.28Å; K42-R44 PolarHBondContact O-N 2.69Å; R44-F46 HydrophobicContact CB-CE2 4.19Å; R44-F46 HydrophobicContact CB-CZ 4.03Å; R44-I66 CarbonylContact O-C 3.51Å; R44-I66 VanDerWaalsContact O-CA 3.32Å; R44-I66 WeakPolarHBondContact O-CA 3.46Å; R44-T67 PolarHBondContact O-N 2.81Å
45V97.1Very high93.7Very high64 Ų6453.9 Ų53.939%0.38830%0.297SS..EExtended strand (participates in β ladder)trans-111.4121.9177.6-176.10000109G43 K64 L65 I66G43-V45 PolarHBondContact O-N 2.85Å; V45-K64 HydrophobicContact CG1-CB 3.85Å; V45-K64 HydrophobicContact CG1-CD 4.47Å; V45-K64 HydrophobicContact CG1-CG 4.3Å; V45-L65 CarbonylContact C-O 3.55Å; V45-L65 WeakPolarHBondContact CA-O 3.36Å; V45-I66 HydrophobicContact CG2-CB 4.13Å; V45-I66 HydrophobicContact CG2-CD1 4.22Å; V45-I66 HydrophobicContact CG2-CG1 4.05Å
46F96.7Very high93.5Very high43 Ų4354 Ų5419%0.18931%0.306CS..EExtended strand (participates in β ladder)trans-100.6132.2174.6-56-75.3000109.3V12 T26 R44 V48 K64 L65 T67 T77V12-F46 HydrophobicContact CB-CE2 4.41Å; V12-F46 HydrophobicContact CG1-CD2 3.67Å; V12-F46 HydrophobicContact CG1-CE2 3.56Å; V12-F46 HydrophobicContact CG1-CG 4.4Å; V12-F46 HydrophobicContact CG1-CZ 4.26Å; V12-F46 HydrophobicContact CG2-CE1 4.3Å; V12-F46 HydrophobicContact CG2-CE2 3.89Å; V12-F46 HydrophobicContact CG2-CZ 3.74Å; T26-F46 HydrophobicContact CG2-CZ 4.14Å; R44-F46 HydrophobicContact CB-CE2 4.19Å; R44-F46 HydrophobicContact CB-CZ 4.03Å; F46-V48 HydrophobicContact CB-CG2 4.32Å; F46-K64 CarbonylContact O-C 3.58Å; F46-K64 WeakPolarHBondContact O-CA 3.23Å; F46-L65 PolarHBondContact N-O 3.46Å; F46-L65 PolarHBondContact O-N 3.02Å; F46-T67 WeakPolarHBondContact CE2-OG1 3.28Å; F46-T77 HydrophobicContact CD2-CG2 4.21Å; F46-T77 HydrophobicContact CE2-CG2 4.44Å
47E97.2Very high93.3Very high88 Ų8853 Ų5341%0.41130%0.3SS..EExtended strand (participates in β ladder)trans-104.1119.3172.7-173.3169.7157.300108.5K62 F63 K64E47-K62 HydrophobicContact CG-CB 4.04Å; E47-K62 HydrophobicContact CG-CD 4.33Å; E47-K62 VanDerWaalsContact OE1-CD 3.27Å; E47-K62 WeakPolarHBondContact OE1-CD 3.45Å; E47-K62 WeakPolarHBondContact OE1-CE 3.34Å; E47-K62 IonicContact OE1-NZ 3.58Å; E47-K62 PolarHBondContact OE1-NZ 2.86Å; E47-F63 WeakPolarHBondContact CA-O 3.38Å; E47-K64 HydrophobicContact CG-CG 4.5Å; E47-K64 IonicContact OE2-NZ 3.32Å; E47-K64 PolarHBondContact OE2-NZ 2.83Å
48V96.2Very high93.3Very high15 Ų1555.1 Ų55.19%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-128.8141.7-172.2-168.70000108.8I23 F46 D52 L53 K62 F63I23-V48 HydrophobicContact CG2-CG1 4.29Å; I23-V48 HydrophobicContact CG2-CG2 3.51Å; F46-V48 HydrophobicContact CB-CG2 4.32Å; V48-D52 HydrophobicContact CG1-CB 3.93Å; V48-L53 HydrophobicContact CB-CD1 4.18Å; V48-L53 HydrophobicContact CB-CD2 4.49Å; V48-L53 HydrophobicContact CB-CG 4.28Å; V48-L53 HydrophobicContact CG1-CD1 4.24Å; V48-L53 HydrophobicContact CG1-CD2 3.99Å; V48-L53 HydrophobicContact CG1-CG 3.8Å; V48-K62 CarbonylContact O-C 3.45Å; V48-K62 VanDerWaalsContact O-CA 3.29Å; V48-K62 WeakPolarHBondContact O-CA 3.02Å; V48-F63 PolarHBondContact N-O 3.41Å; V48-F63 PolarHBondContact O-N 3.07Å
49S96Very high93.5Very high23 Ų2356.4 Ų56.416%0.16132%0.324CS..EExtended strand (participates in β ladder)trans-67.7146.2172.5-175.90000110.4A51 D52 L53 A59S49-A51 PolarHBondContact O-N 3.44Å; S49-A51 PolarHBondContact OG-N 2.9Å; S49-D52 WeakPolarHBondContact CB-OD2 3.29Å; S49-D52 PolarHBondContact O-N 3.05Å; S49-L53 PolarHBondContact O-N 3.42Å; S49-A59 PolarHBondContact OG-O 3.16Å
50L94.8Very high93.6Very high0 Ų053.6 Ų53.60%031%0.308CS..Hα-helixtrans-62.3-34.1173.8177.362.4000111.5F18 D52 L53 Q54 E57 V58 R61 F63 I168F18-L50 HydrophobicContact CD1-CD1 4.44Å; F18-L50 HydrophobicContact CE1-CD1 4.2Å; L50-D52 PolarHBondContact O-N 3Å; L50-L53 PolarHBondContact O-N 3.41Å; L50-Q54 HydrophobicContact CD1-CB 4.09Å; L50-Q54 PolarHBondContact O-N 3.04Å; L50-E57 HydrophobicContact CD2-CB 3.91Å; L50-E57 HydrophobicContact CD2-CG 4.31Å; L50-E57 HydrophobicContact CG-CB 3.84Å; L50-E57 HydrophobicContact CG-CG 4.45Å; L50-V58 HydrophobicContact CD2-CG2 4.09Å; L50-R61 HydrophobicContact CB-CB 3.99Å; L50-R61 HydrophobicContact CD2-CB 4.2Å; L50-R61 PolarHBondContact N-O 3.13Å; L50-F63 HydrophobicContact CB-CD2 4.15Å; L50-F63 HydrophobicContact CB-CE2 3.98Å; L50-F63 HydrophobicContact CD1-CD2 4.21Å; L50-F63 HydrophobicContact CD1-CE2 3.72Å; L50-F63 HydrophobicContact CD2-CE2 4.27Å; L50-F63 HydrophobicContact CG-CE2 4.19Å; L50-I168 HydrophobicContact CD1-CG1 4.3Å; L50-I168 HydrophobicContact CD1-CG2 4.16Å; L50-I168 HydrophobicContact CD2-CG2 4.41Å
51A95.3Very high93.8Very high35 Ų3552.2 Ų52.229%0.28929%0.29SS..Hα-helixtrans-63.4-24.7177.200000113.3S49 A59S49-A51 PolarHBondContact O-N 3.44Å; S49-A51 PolarHBondContact OG-N 2.9Å; A51-A59 HydrophobicContact CB-CB 4.02Å
52D94.1Very high94Very high103 Ų10354.8 Ų54.855%0.55130%0.301SS*.Hα-helixtrans-86.6-13.9176.1-56.9-34.7000112.2I20 V48 S49 L50I20-D52 VanDerWaalsContact CD1-O 3.25Å; I20-D52 WeakPolarHBondContact CD1-O 3.41Å; V48-D52 HydrophobicContact CG1-CB 3.93Å; S49-D52 WeakPolarHBondContact CB-OD2 3.29Å; S49-D52 PolarHBondContact O-N 3.05Å; L50-D52 PolarHBondContact O-N 3Å
53L92.3Very high94.1Very high1 Ų151.1 Ų51.11%0.00529%0.285CS..Hα-helixtrans-100.3-28.5178.9-67.6174.2000112.1A14 F18 N19 I20 I23 V48 S49 L50 F63 L65A14-L53 HydrophobicContact CB-CD2 4.07Å; F18-L53 HydrophobicContact CB-CB 4.1Å; F18-L53 HydrophobicContact CD1-CB 3.64Å; F18-L53 HydrophobicContact CD1-CD1 3.98Å; F18-L53 HydrophobicContact CD1-CG 4.35Å; F18-L53 HydrophobicContact CD2-CD1 4.41Å; F18-L53 HydrophobicContact CE1-CB 4.26Å; F18-L53 HydrophobicContact CE1-CD1 3.83Å; F18-L53 HydrophobicContact CE2-CD1 4.28Å; F18-L53 HydrophobicContact CG-CB 3.94Å; F18-L53 HydrophobicContact CG-CD1 4.26Å; F18-L53 HydrophobicContact CG-CD2 4.44Å; F18-L53 HydrophobicContact CG-CG 4.45Å; F18-L53 HydrophobicContact CZ-CD1 3.98Å; N19-L53 PolarHBondContact N-O 3.49Å; I20-L53 WeakPolarHBondContact CB-O 3.43Å; I20-L53 PolarHBondContact N-O 3.03Å; I23-L53 HydrophobicContact CG1-CD2 4.06Å; V48-L53 HydrophobicContact CB-CD1 4.18Å; V48-L53 HydrophobicContact CB-CD2 4.49Å; V48-L53 HydrophobicContact CB-CG 4.28Å; V48-L53 HydrophobicContact CG1-CD1 4.24Å; V48-L53 HydrophobicContact CG1-CD2 3.99Å; V48-L53 HydrophobicContact CG1-CG 3.8Å; S49-L53 PolarHBondContact O-N 3.42Å; L50-L53 PolarHBondContact O-N 3.41Å; L53-F63 HydrophobicContact CD1-CB 4.01Å; L53-F63 HydrophobicContact CD1-CD2 4.43Å; L53-F63 HydrophobicContact CD1-CG 4.4Å; L53-L65 HydrophobicContact CD1-CD1 4.27Å; L53-L65 HydrophobicContact CD2-CD1 4.27Å
54Q91.8Very high94.2Very high32 Ų3251.8 Ų51.815%0.1528%0.275CS..SBendtrans-138.6124.5-176.3-167.371.8-18.800110.5N19 L50 E57N19-Q54 VanDerWaalsContact ND2-CD 3.28Å; N19-Q54 PolarHBondContact ND2-NE2 3.39Å; N19-Q54 VanDerWaalsContact ND2-NE2 3.17Å; N19-Q54 PolarHBondContact ND2-OE1 2.97Å; N19-Q54 VanDerWaalsContact ND2-OE1 3.07Å; N19-Q54 PolarHBondContact OD1-NE2 3.46Å; N19-Q54 PolarHBondContact OD1-OE1 3.44Å; N19-Q54 VanDerWaalsContact OD1-OE1 3.13Å; L50-Q54 HydrophobicContact CD1-CB 4.09Å; L50-Q54 PolarHBondContact O-N 3.04Å; Q54-E57 HydrophobicContact CB-CB 4.04Å; Q54-E57 HydrophobicContact CB-CG 3.83Å; Q54-E57 HydrophobicContact CG-CB 4.19Å; Q54-E57 HydrophobicContact CG-CG 3.45Å; Q54-E57 VanDerWaalsContact CG-CG 3.45Å
55N88.1Confident94.2Very high98 Ų9848.2 Ų48.252%0.52426%0.261SS..THydrogen-bonded Turntrans-59.9140.4174.8-61.7-22.2000110I20 E57I20-N55 WeakPolarHBondContact CD1-OD1 3.49Å; N55-E57 PolarHBondContact O-N 3.45Å; N55-E57 VanDerWaalsContact O-N 3.16Å
56D84.9Confident94.2Very high173 Ų17346.4 Ų46.493%0.92525%0.249SC*.THydrogen-bonded Turntrans63.712.8174-50.9-46.8000116.4
57E89.3Confident94.2Very high64 Ų6444.5 Ų44.530%0.29924%0.241SC..  trans-93.3169.6174.6-80.5-64.1166.800113.9L50 Q54 N55 I168L50-E57 HydrophobicContact CD2-CB 3.91Å; L50-E57 HydrophobicContact CD2-CG 4.31Å; L50-E57 HydrophobicContact CG-CB 3.84Å; L50-E57 HydrophobicContact CG-CG 4.45Å; Q54-E57 HydrophobicContact CB-CB 4.04Å; Q54-E57 HydrophobicContact CB-CG 3.83Å; Q54-E57 HydrophobicContact CG-CB 4.19Å; Q54-E57 HydrophobicContact CG-CG 3.45Å; Q54-E57 VanDerWaalsContact CG-CG 3.45Å; N55-E57 PolarHBondContact O-N 3.45Å; N55-E57 VanDerWaalsContact O-N 3.16Å; E57-I168 HydrophobicContact CG-CG2 4.33Å
58V91.7Very high94Very high48 Ų4841.7 Ų41.729%0.29123%0.228SC..  trans-68.9131.2-175.9-65.90000113.6L50 F60 R61L50-V58 HydrophobicContact CD2-CG2 4.09Å; V58-F60 VanDerWaalsContact C-N 3.32Å; V58-F60 HydrophobicContact CB-CD1 3.76Å; V58-F60 HydrophobicContact CB-CE1 3.44Å; V58-F60 VanDerWaalsContact CB-CE1 3.44Å; V58-F60 HydrophobicContact CB-CG 4.44Å; V58-F60 HydrophobicContact CB-CZ 3.88Å; V58-F60 HydrophobicContact CG1-CD1 4.27Å; V58-F60 HydrophobicContact CG1-CE1 3.53Å; V58-F60 HydrophobicContact CG1-CZ 3.99Å; V58-F60 HydrophobicContact CG2-CD1 4.32Å; V58-F60 HydrophobicContact CG2-CE1 3.88Å; V58-F60 HydrophobicContact CG2-CE2 4.12Å; V58-F60 HydrophobicContact CG2-CZ 3.76Å; V58-F60 PolarHBondContact O-N 3.2Å; V58-R61 HydrophobicContact CG2-CB 4.46Å; V58-R61 HydrophobicContact CG2-CG 3.99Å
59A94.8Very high94Very high61 Ų6142 Ų4250%0.50423%0.229SC..THydrogen-bonded Turntrans-75.9-15.317900000114.7S49 A51 R61S49-A59 PolarHBondContact OG-O 3.16Å; A51-A59 HydrophobicContact CB-CB 4.02Å; A59-R61 VanDerWaalsContact C-N 3.26Å; A59-R61 PolarHBondContact O-N 3.32Å
60F95.4Very high93.9Very high38 Ų3842.1 Ų42.117%0.16723%0.229CC..THydrogen-bonded Turntrans-81.5-2.6-174.764.7-105.5000114V58 L84 T85 K88 Y190V58-F60 VanDerWaalsContact C-N 3.32Å; V58-F60 HydrophobicContact CB-CD1 3.76Å; V58-F60 HydrophobicContact CB-CE1 3.44Å; V58-F60 VanDerWaalsContact CB-CE1 3.44Å; V58-F60 HydrophobicContact CB-CG 4.44Å; V58-F60 HydrophobicContact CB-CZ 3.88Å; V58-F60 HydrophobicContact CG1-CD1 4.27Å; V58-F60 HydrophobicContact CG1-CE1 3.53Å; V58-F60 HydrophobicContact CG1-CZ 3.99Å; V58-F60 HydrophobicContact CG2-CD1 4.32Å; V58-F60 HydrophobicContact CG2-CE1 3.88Å; V58-F60 HydrophobicContact CG2-CE2 4.12Å; V58-F60 HydrophobicContact CG2-CZ 3.76Å; V58-F60 PolarHBondContact O-N 3.2Å; F60-L84 HydrophobicContact CD2-CD2 3.91Å; F60-L84 HydrophobicContact CE2-CD2 4.09Å; F60-L84 CarbonylContact O-C 3.4Å; F60-L84 WeakPolarHBondContact O-CA 3.29Å; F60-T85 WeakPolarHBondContact O-CG2 3.42Å; F60-T85 PolarHBondContact O-N 3.02Å; F60-K88 HydrophobicContact CB-CB 3.69Å; F60-K88 HydrophobicContact CB-CG 3.86Å; F60-K88 HydrophobicContact CD1-CD 4.35Å; F60-K88 HydrophobicContact CD1-CG 4.36Å; F60-K88 HydrophobicContact CD2-CB 4.47Å; F60-K88 HydrophobicContact CD2-CG 3.82Å; F60-K88 HydrophobicContact CE2-CG 4.47Å; F60-K88 HydrophobicContact CG-CB 4.19Å; F60-K88 HydrophobicContact CG-CD 4.24Å; F60-K88 HydrophobicContact CG-CG 3.76Å; F60-Y190 HydrophobicContact CE2-CD1 4.26Å; F60-Y190 AromaticContact CE2-CE1 3.99Å; F60-Y190 HydrophobicContact CE2-CE1 3.99Å; F60-Y190 HydrophobicContact CZ-CD1 4.48Å; F60-Y190 AromaticContact CZ-CE1 3.78Å; F60-Y190 HydrophobicContact CZ-CE1 3.78Å
61R95.8Very high93.7Very high11 Ų1146.5 Ų46.54%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-100.8133.9174-70-172.8179.9137.812.9109.7L50 V58 A59 F63 L84 L167 I168 D170L50-R61 HydrophobicContact CB-CB 3.99Å; L50-R61 HydrophobicContact CD2-CB 4.2Å; L50-R61 PolarHBondContact N-O 3.13Å; V58-R61 HydrophobicContact CG2-CB 4.46Å; V58-R61 HydrophobicContact CG2-CG 3.99Å; A59-R61 VanDerWaalsContact C-N 3.26Å; A59-R61 PolarHBondContact O-N 3.32Å; R61-F63 HydrophobicContact CB-CE2 4.4Å; R61-L84 HydrophobicContact CG-CD2 3.84Å; R61-L167 PolarHBondContact NH1-O 2.93Å; R61-I168 PolarHBondContact NH1-O 3.33Å; R61-D170 IonicContact CZ-OD2 2.75Å; R61-D170 VanDerWaalsContact NH1-CB 3.26Å; R61-D170 VanDerWaalsContact NH2-CG 3.32Å; R61-D170 IonicContact NH2-OD2 3.97Å; R61-D170 PolarHBondContact NH2-OD2 3.05Å
62K96.8Very high93.5Very high54 Ų5448 Ų4824%0.23527%0.269CS..EExtended strand (participates in β ladder)trans-122.4132.7177.8-60.4-180-69.3165.70110.1E47 V48 M82 D83 T85E47-K62 HydrophobicContact CG-CB 4.04Å; E47-K62 HydrophobicContact CG-CD 4.33Å; E47-K62 VanDerWaalsContact OE1-CD 3.27Å; E47-K62 WeakPolarHBondContact OE1-CD 3.45Å; E47-K62 WeakPolarHBondContact OE1-CE 3.34Å; E47-K62 IonicContact OE1-NZ 3.58Å; E47-K62 PolarHBondContact OE1-NZ 2.86Å; V48-K62 CarbonylContact O-C 3.45Å; V48-K62 VanDerWaalsContact O-CA 3.29Å; V48-K62 WeakPolarHBondContact O-CA 3.02Å; K62-M82 CarbonylContact O-C 3.53Å; K62-M82 VanDerWaalsContact O-CA 3.31Å; K62-M82 WeakPolarHBondContact O-CA 3.37Å; K62-D83 PolarHBondContact N-O 3.43Å; K62-D83 PolarHBondContact O-N 3.38Å; K62-T85 HydrophobicContact CD-CG2 3.77Å; K62-T85 HydrophobicContact CG-CG2 3.87Å
63F96.9Very high93.5Very high0 Ų050.3 Ų50.30%027%0.274CS..EExtended strand (participates in β ladder)trans-104137.3178.2-76.4-95.5000110F18 E47 V48 L50 L53 R61 F79 M82 V164 I168F18-F63 HydrophobicContact CE1-CD1 4.37Å; F18-F63 HydrophobicContact CE1-CD2 4.44Å; F18-F63 HydrophobicContact CE1-CE1 4.45Å; F18-F63 HydrophobicContact CE1-CG 4.37Å; F18-F63 AromaticContact CZ-CD1 3.86Å; F18-F63 HydrophobicContact CZ-CD1 3.86Å; F18-F63 HydrophobicContact CZ-CE1 4.21Å; F18-F63 HydrophobicContact CZ-CG 4.08Å; E47-F63 WeakPolarHBondContact CA-O 3.38Å; V48-F63 PolarHBondContact N-O 3.41Å; V48-F63 PolarHBondContact O-N 3.07Å; L50-F63 HydrophobicContact CB-CD2 4.15Å; L50-F63 HydrophobicContact CB-CE2 3.98Å; L50-F63 HydrophobicContact CD1-CD2 4.21Å; L50-F63 HydrophobicContact CD1-CE2 3.72Å; L50-F63 HydrophobicContact CD2-CE2 4.27Å; L50-F63 HydrophobicContact CG-CE2 4.19Å; L53-F63 HydrophobicContact CD1-CB 4.01Å; L53-F63 HydrophobicContact CD1-CD2 4.43Å; L53-F63 HydrophobicContact CD1-CG 4.4Å; R61-F63 HydrophobicContact CB-CE2 4.4Å; F63-F79 AromaticContact CD1-CD2 3.83Å; F63-F79 HydrophobicContact CD1-CD2 3.83Å; F63-F79 AromaticContact CD1-CE2 3.57Å; F63-F79 HydrophobicContact CD1-CE2 3.57Å; F63-F79 HydrophobicContact CE1-CD2 4.27Å; F63-F79 AromaticContact CE1-CE2 3.79Å; F63-F79 HydrophobicContact CE1-CE2 3.79Å; F63-M82 HydrophobicContact CD1-CG 4.45Å; F63-M82 HydrophobicContact CE1-CB 4.42Å; F63-M82 HydrophobicContact CE1-CG 4.15Å; F63-M82 HydrophobicContact CE1-SD 4.43Å; F63-M82 HydrophobicContact CE2-CG 4.36Å; F63-M82 HydrophobicContact CZ-CG 4.1Å; F63-M82 HydrophobicContact CZ-SD 4.1Å; F63-V164 HydrophobicContact CE1-CG1 4.31Å; F63-I168 HydrophobicContact CZ-CG1 4.43Å
64K97.3Very high93.6Very high61 Ų6153.2 Ų53.227%0.26529%0.289SS..EExtended strand (participates in β ladder)trans-98118.3170.5-68.1-177-177.6-690108V45 F46 E47 H80 G81V45-K64 HydrophobicContact CG1-CB 3.85Å; V45-K64 HydrophobicContact CG1-CD 4.47Å; V45-K64 HydrophobicContact CG1-CG 4.3Å; F46-K64 CarbonylContact O-C 3.58Å; F46-K64 WeakPolarHBondContact O-CA 3.23Å; E47-K64 HydrophobicContact CG-CG 4.5Å; E47-K64 IonicContact OE2-NZ 3.32Å; E47-K64 PolarHBondContact OE2-NZ 2.83Å; K64-H80 HydrophobicContact CB-CB 4.2Å; K64-H80 WeakPolarHBondContact O-CA 3.39Å; K64-H80 WeakPolarHBondContact O-CB 3.33Å; K64-H80 PolarHBondContact O-N 3.27Å; K64-G81 PolarHBondContact N-O 3.02Å; K64-G81 PolarHBondContact O-N 3.36Å
65L96.8Very high93.8Very high0 Ų051.7 Ų51.70%028%0.282CS..EExtended strand (participates in β ladder)trans-115.8121.5-179.8-62.6178.2000109.1A14 F18 I23 V45 F46 L53 T77 N78A14-L65 HydrophobicContact CB-CD1 4.29Å; F18-L65 HydrophobicContact CE2-CD2 4.11Å; I23-L65 HydrophobicContact CD1-CD1 3.47Å; I23-L65 VanDerWaalsContact CD1-CD1 3.47Å; V45-L65 CarbonylContact C-O 3.55Å; V45-L65 WeakPolarHBondContact CA-O 3.36Å; F46-L65 PolarHBondContact N-O 3.46Å; F46-L65 PolarHBondContact O-N 3.02Å; L53-L65 HydrophobicContact CD1-CD1 4.27Å; L53-L65 HydrophobicContact CD2-CD1 4.27Å; L65-T77 HydrophobicContact CB-CG2 4.44Å; L65-N78 CarbonylContact C-O 3.58Å; L65-N78 VanDerWaalsContact CA-O 3.3Å; L65-N78 WeakPolarHBondContact CA-O 3.42Å
66I96.4Very high94.2Very high26 Ų2647.3 Ų47.313%0.13326%0.259CS..EExtended strand (participates in β ladder)trans-103.4132.8-178.1-175.8173.2000110.5R44 V45 E68 T77 N78 H80R44-I66 CarbonylContact O-C 3.51Å; R44-I66 VanDerWaalsContact O-CA 3.32Å; R44-I66 WeakPolarHBondContact O-CA 3.46Å; V45-I66 HydrophobicContact CG2-CB 4.13Å; V45-I66 HydrophobicContact CG2-CD1 4.22Å; V45-I66 HydrophobicContact CG2-CG1 4.05Å; I66-E68 HydrophobicContact CG2-CG 4.32Å; I66-E68 PolarHBondContact O-N 3.29Å; I66-T77 CarbonylContact O-C 3.59Å; I66-T77 WeakPolarHBondContact O-CA 3.45Å; I66-N78 PolarHBondContact N-O 3.45Å; I66-N78 PolarHBondContact O-N 3.33Å; I66-H80 HydrophobicContact CB-CB 4.05Å; I66-H80 HydrophobicContact CG2-CB 3.78Å
67T96.1Very high94.7Very high3 Ų339.1 Ų39.12%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-70.4120.3173-530000110L41 G43 R44 F46 V70 C75L41-T67 WeakPolarHBondContact O-CB 3.32Å; G43-T67 PolarHBondContact N-O 3.08Å; R44-T67 PolarHBondContact O-N 2.81Å; F46-T67 WeakPolarHBondContact CE2-OG1 3.28Å; T67-V70 HydrophobicContact CG2-CG2 4.28Å; T67-C75 HydrophobicContact CG2-CB 3.78Å
68E94.3Very high95Very high30 Ų3036.1 Ų36.114%0.1420%0.2CC..EExtended strand (participates in β ladder)trans-104.6-34.6176.7-65.3-171.5161.400111.4K42 I66 L76 N78 K199 F202 L207K42-E68 WeakPolarHBondContact CD-O 3.29Å; I66-E68 HydrophobicContact CG2-CG 4.32Å; I66-E68 PolarHBondContact O-N 3.29Å; E68-L76 PolarHBondContact N-O 2.58Å; E68-N78 HydrophobicContact CG-CB 3.97Å; E68-N78 PolarHBondContact OE1-ND2 2.65Å; E68-N78 WeakPolarHBondContact OE2-CB 3.46Å; E68-N78 PolarHBondContact OE2-ND2 2.91Å; E68-K199 IonicContact OE1-NZ 2.66Å; E68-K199 PolarHBondContact OE1-NZ 2.88Å; E68-F202 HydrophobicContact CB-CD2 4.26Å; E68-F202 HydrophobicContact CB-CE2 3.74Å; E68-F202 HydrophobicContact CB-CZ 4.49Å; E68-L207 HydrophobicContact CB-CD2 4.01Å
69D94.6Very high95.2Very high21 Ų2133.8 Ų33.811%0.11219%0.187CC..EExtended strand (participates in β ladder)trans-138.8158.5179-161.138.7000113.8K42 L76 F202 L204 L207K42-D69 WeakPolarHBondContact CE-OD1 3.3Å; K42-D69 IonicContact NZ-OD1 2.72Å; K42-D69 PolarHBondContact NZ-OD1 2.86Å; D69-L76 PolarHBondContact N-O 3.03Å; D69-L76 PolarHBondContact O-N 3.37Å; D69-F202 HydrophobicContact CB-CZ 4.24Å; D69-L204 HydrophobicContact CB-CD1 4.27Å; D69-L204 WeakPolarHBondContact OD2-CD1 3.36Å; D69-L207 HydrophobicContact CB-CD2 3.58Å
70V94.3Very high95.3Very high26 Ų2633.6 Ų33.616%0.15818%0.175CC..EExtended strand (participates in β ladder)trans-127.3114.2178.6-176.60000108.5Y10 L41 K42 T67 N74Y10-V70 HydrophobicContact CD1-CG1 3.98Å; Y10-V70 HydrophobicContact CE1-CG1 3.88Å; L41-V70 HydrophobicContact CB-CG2 3.87Å; L41-V70 HydrophobicContact CD1-CG1 4.23Å; L41-V70 HydrophobicContact CD1-CG2 4.18Å; K42-V70 HydrophobicContact CG-CG2 4.24Å; T67-V70 HydrophobicContact CG2-CG2 4.28Å; V70-N74 CarbonylContact C-O 3.54Å; V70-N74 WeakPolarHBondContact CA-O 3.21Å
71Q91.8Very high95.3Very high92 Ų9231.9 Ų31.943%0.4317%0.168SC..EExtended strand (participates in β ladder)trans-108.6103.5176.6-70.4-162.7-30.600110.4K73 N74 L76 M208Q71-K73 PolarHBondContact O-N 3.23Å; Q71-N74 PolarHBondContact N-O 3.3Å; Q71-N74 WeakPolarHBondContact O-CB 3.47Å; Q71-N74 PolarHBondContact O-N 3.46Å; Q71-L76 HydrophobicContact CG-CD1 4.03Å; Q71-M208 HydrophobicContact CG-CE 4.31Å; Q71-M208 PolarHBondContact NE2-SD 3.43Å
72G91.1Very high95.4Very high67 Ų6731.5 Ų31.569%0.69117%0.167SC*.THydrogen-bonded Turntrans57.8-115.2-174.600000110.4Y10Y10-G72 VanDerWaalsContact CE1-O 3.29Å; Y10-G72 WeakPolarHBondContact CE1-O 3.49Å
73K93.2Very high95.4Very high151 Ų15130.3 Ų30.366%0.65716%0.163SC*.THydrogen-bonded Turntrans-93.81.8175.8-66.4-167.3178-175.60114.5Y10 D11 Q71Y10-K73 CarbonylContact C-O 3.57Å; Y10-K73 VanDerWaalsContact CA-O 3.32Å; Y10-K73 WeakPolarHBondContact CA-O 3.23Å; Y10-K73 WeakPolarHBondContact CB-O 3.22Å; D11-K73 PolarHBondContact N-O 3.46Å; Q71-K73 PolarHBondContact O-N 3.23Å
74N94.8Very high95.4Very high61 Ų6130.7 Ų30.733%0.32617%0.165SC..EExtended strand (participates in β ladder)trans-100.7126.4-178.5-65.1-41000111.3D11 K13 V70 Q71D11-N74 CarbonylContact O-C 3.48Å; D11-N74 WeakPolarHBondContact O-CA 3.46Å; K13-N74 WeakPolarHBondContact CE-OD1 3.28Å; K13-N74 HydrophobicContact CG-CB 4.29Å; V70-N74 CarbonylContact C-O 3.54Å; V70-N74 WeakPolarHBondContact CA-O 3.21Å; Q71-N74 PolarHBondContact N-O 3.3Å; Q71-N74 WeakPolarHBondContact O-CB 3.47Å; Q71-N74 PolarHBondContact O-N 3.46Å
75C95.4Very high95.4Very high0 Ų028.7 Ų28.70%016%0.158CC..EExtended strand (participates in β ladder)trans-93.1112.9169.2-66.90000109D11 V12 K13 T67D11-C75 PolarHBondContact O-N 3.37Å; V12-C75 HydrophobicContact CG2-CB 4.45Å; K13-C75 PolarHBondContact N-O 3.31Å; T67-C75 HydrophobicContact CG2-CB 3.78Å
76L95.9Very high95.3Very high7 Ų738.6 Ų38.64%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-85.1121177.1-58.1-175.5000109.5K13 E68 D69 Q71 L207 M208K13-L76 HydrophobicContact CB-CD2 4.23Å; E68-L76 PolarHBondContact N-O 2.58Å; D69-L76 PolarHBondContact N-O 3.03Å; D69-L76 PolarHBondContact O-N 3.37Å; Q71-L76 HydrophobicContact CG-CD1 4.03Å; L76-L207 HydrophobicContact CB-CD2 4.02Å; L76-L207 HydrophobicContact CD1-CD2 4.37Å; L76-M208 HydrophobicContact CD1-CE 3.57Å; L76-M208 HydrophobicContact CD1-SD 3.93Å
77T96.1Very high95.3Very high0 Ų042.8 Ų42.80%022%0.218CC..EExtended strand (participates in β ladder)trans-101.9156.6-179.3660000112.6V12 K13 P15 F46 L65 I66 H211V12-T77 HydrophobicContact CG1-CG2 3.43Å; V12-T77 VanDerWaalsContact CG1-CG2 3.43Å; K13-T77 WeakPolarHBondContact O-CB 3.37Å; K13-T77 PolarHBondContact O-N 3.26Å; K13-T77 VanDerWaalsContact O-N 3.13Å; K13-T77 PolarHBondContact O-OG1 2.9Å; P15-T77 WeakPolarHBondContact CG-O 3.3Å; F46-T77 HydrophobicContact CD2-CG2 4.21Å; F46-T77 HydrophobicContact CE2-CG2 4.44Å; L65-T77 HydrophobicContact CB-CG2 4.44Å; I66-T77 CarbonylContact O-C 3.59Å; I66-T77 WeakPolarHBondContact O-CA 3.45Å; T77-H211 PolarHBondContact O-NE2 2.86Å
78N95.6Very high95.3Very high1 Ų144.6 Ų44.61%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-127.6160.7173.4-164.4-2.7000109.8L65 I66 E68 H80 Y112 L207L65-N78 CarbonylContact C-O 3.58Å; L65-N78 VanDerWaalsContact CA-O 3.3Å; L65-N78 WeakPolarHBondContact CA-O 3.42Å; I66-N78 PolarHBondContact N-O 3.45Å; I66-N78 PolarHBondContact O-N 3.33Å; E68-N78 HydrophobicContact CG-CB 3.97Å; E68-N78 PolarHBondContact OE1-ND2 2.65Å; E68-N78 WeakPolarHBondContact OE2-CB 3.46Å; E68-N78 PolarHBondContact OE2-ND2 2.91Å; N78-H80 PolarHBondContact O-N 3.02Å; N78-Y112 PolarHBondContact ND2-OH 2.86Å; N78-L207 HydrophobicContact CB-CD1 4.14Å
79F96Very high95.4Very high0 Ų043.8 Ų43.80%022%0.222CC..EExtended strand (participates in β ladder)trans-63.2133.2175.2177.7-98.1000111.2F63 G81 M82 L114 L160 V164 L167 V194F63-F79 AromaticContact CD1-CD2 3.83Å; F63-F79 HydrophobicContact CD1-CD2 3.83Å; F63-F79 AromaticContact CD1-CE2 3.57Å; F63-F79 HydrophobicContact CD1-CE2 3.57Å; F63-F79 HydrophobicContact CE1-CD2 4.27Å; F63-F79 AromaticContact CE1-CE2 3.79Å; F63-F79 HydrophobicContact CE1-CE2 3.79Å; F79-G81 VanDerWaalsContact CE2-O 3.29Å; F79-G81 WeakPolarHBondContact CE2-O 3.49Å; F79-M82 HydrophobicContact CE2-CB 4.24Å; F79-M82 HydrophobicContact CZ-CB 4.29Å; F79-L114 HydrophobicContact CE1-CD2 4.27Å; F79-L160 HydrophobicContact CB-CD2 4.35Å; F79-L160 HydrophobicContact CD1-CD1 3.89Å; F79-L160 HydrophobicContact CD1-CD2 4.41Å; F79-L160 HydrophobicContact CD1-CG 4.35Å; F79-L160 HydrophobicContact CE1-CD1 4.37Å; F79-V164 HydrophobicContact CB-CG2 4.02Å; F79-V164 HydrophobicContact CD1-CG2 3.96Å; F79-V164 HydrophobicContact CD2-CG2 3.74Å; F79-V164 HydrophobicContact CE1-CG2 4.33Å; F79-V164 HydrophobicContact CE2-CG2 4.14Å; F79-V164 HydrophobicContact CG-CG2 3.62Å; F79-V164 HydrophobicContact CZ-CG2 4.41Å; F79-L167 HydrophobicContact CZ-CD1 4.3Å; F79-V194 HydrophobicContact CE1-CG1 4.12Å; F79-V194 HydrophobicContact CZ-CB 4.32Å; F79-V194 HydrophobicContact CZ-CG1 4.02Å
80H96.3Very high95.4Very high56 Ų5646.6 Ų46.626%0.25924%0.242SC..EExtended strand (participates in β ladder)trans-123.6-25.8177.4-170.925.1000113.1K64 I66 N78 M196K64-H80 HydrophobicContact CB-CB 4.2Å; K64-H80 WeakPolarHBondContact O-CA 3.39Å; K64-H80 WeakPolarHBondContact O-CB 3.33Å; K64-H80 PolarHBondContact O-N 3.27Å; I66-H80 HydrophobicContact CB-CB 4.05Å; I66-H80 HydrophobicContact CG2-CB 3.78Å; N78-H80 PolarHBondContact O-N 3.02Å; H80-M196 WeakPolarHBondContact O-CB 3.34Å; H80-M196 PolarHBondContact O-N 2.84Å
81G96.3Very high95.5Very high2 Ų248.1 Ų48.12%0.02125%0.254CS..EExtended strand (participates in β ladder)trans171.7176.9177.800000112.5K64 F79 V194K64-G81 PolarHBondContact N-O 3.02Å; K64-G81 PolarHBondContact O-N 3.36Å; F79-G81 VanDerWaalsContact CE2-O 3.29Å; F79-G81 WeakPolarHBondContact CE2-O 3.49Å; G81-V194 VanDerWaalsContact CA-O 3.23Å; G81-V194 WeakPolarHBondContact CA-O 3.49Å
82M97.2Very high95.7Very high3 Ų343.9 Ų43.92%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-141.4143.7-179.6-173-161.175.900108.9K62 F63 F79 L167 V191 K193 V194K62-M82 CarbonylContact O-C 3.53Å; K62-M82 VanDerWaalsContact O-CA 3.31Å; K62-M82 WeakPolarHBondContact O-CA 3.37Å; F63-M82 HydrophobicContact CD1-CG 4.45Å; F63-M82 HydrophobicContact CE1-CB 4.42Å; F63-M82 HydrophobicContact CE1-CG 4.15Å; F63-M82 HydrophobicContact CE1-SD 4.43Å; F63-M82 HydrophobicContact CE2-CG 4.36Å; F63-M82 HydrophobicContact CZ-CG 4.1Å; F63-M82 HydrophobicContact CZ-SD 4.1Å; F79-M82 HydrophobicContact CE2-CB 4.24Å; F79-M82 HydrophobicContact CZ-CB 4.29Å; M82-L167 HydrophobicContact CE-CD2 4.41Å; M82-L167 HydrophobicContact SD-CB 4.19Å; M82-L167 HydrophobicContact SD-CD1 4.48Å; M82-L167 HydrophobicContact SD-CD2 4.29Å; M82-V191 HydrophobicContact CE-CB 3.99Å; M82-V191 HydrophobicContact CE-CG1 3.75Å; M82-V191 WeakPolarHBondContact CE-O 3.45Å; M82-K193 CarbonylContact O-C 3.52Å; M82-K193 VanDerWaalsContact O-CA 3.31Å; M82-K193 WeakPolarHBondContact O-CA 3.2Å; M82-K193 WeakPolarHBondContact O-CG 3.14Å; M82-V194 HydrophobicContact CB-CB 4.08Å; M82-V194 HydrophobicContact CB-CG2 4.28Å; M82-V194 HydrophobicContact CE-CG2 4.05Å; M82-V194 PolarHBondContact N-O 2.85Å; M82-V194 PolarHBondContact O-N 2.76Å
83D97Very high95.9Very high29 Ų2944.2 Ų44.216%0.15522%0.223CC..EExtended strand (participates in β ladder)trans-142.4152.7173.1-145.6-11.3000109.8K62 K193K62-D83 PolarHBondContact N-O 3.43Å; K62-D83 PolarHBondContact O-N 3.38Å; D83-K193 WeakPolarHBondContact OD2-CE 3.49Å; D83-K193 IonicContact OD2-NZ 3.53Å; D83-K193 PolarHBondContact OD2-NZ 3.07Å
84L96.4Very high96.1Very high8 Ų843.3 Ų43.34%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-79.8155.2167.2-59-178.7000110.4F60 R61 M92 Y190 R192F60-L84 HydrophobicContact CD2-CD2 3.91Å; F60-L84 HydrophobicContact CE2-CD2 4.09Å; F60-L84 CarbonylContact O-C 3.4Å; F60-L84 WeakPolarHBondContact O-CA 3.29Å; R61-L84 HydrophobicContact CG-CD2 3.84Å; L84-M92 HydrophobicContact CD1-CE 4.03Å; L84-Y190 HydrophobicContact CD1-CG 4.47Å; L84-R192 HydrophobicContact CD1-CB 4.47Å; L84-R192 HydrophobicContact CD1-CG 4.43Å; L84-R192 PolarHBondContact N-O 2.82Å; L84-R192 VanDerWaalsContact N-O 3.16Å
85T97.2Very high96.1Very high20 Ų2048.8 Ų48.812%0.12324%0.24CC..  trans-66.3150.2168.664.60000110.9F60 K62 D87 K88 M89F60-T85 WeakPolarHBondContact O-CG2 3.42Å; F60-T85 PolarHBondContact O-N 3.02Å; K62-T85 HydrophobicContact CD-CG2 3.77Å; K62-T85 HydrophobicContact CG-CG2 3.87Å; T85-D87 WeakPolarHBondContact CB-OD1 3.47Å; T85-D87 PolarHBondContact OG1-OD1 3.43Å; T85-K88 PolarHBondContact O-N 3.04Å; T85-K88 WeakPolarHBondContact OG1-CB 3.47Å; T85-M89 PolarHBondContact O-N 3.31Å; T85-M89 VanDerWaalsContact O-N 3.1Å
86R95.9Very high96.2Very high208 Ų20854.4 Ų54.479%0.78526%0.261SS*.Hα-helixtrans-67-41.1-173-179.2174.6177.6148-1.4111.6M89 C90R86-M89 PolarHBondContact O-N 2.95Å; R86-C90 WeakPolarHBondContact O-CB 3.45Å; R86-C90 PolarHBondContact O-N 3.28Å; R86-C90 PolarHBondContact O-SG 3.04Å
87D96.4Very high96.3Very high113 Ų11355.6 Ų55.660%0.60427%0.267SS*.Hα-helixtrans-57.1-48.1175.159.5-55.3000111.3T85 M89 C90 S91T85-D87 WeakPolarHBondContact CB-OD1 3.47Å; T85-D87 PolarHBondContact OG1-OD1 3.43Å; D87-M89 PolarHBondContact O-N 3.47Å; D87-C90 PolarHBondContact O-N 3.36Å; D87-S91 WeakPolarHBondContact O-CB 3.34Å; D87-S91 PolarHBondContact O-N 2.83Å
88K96.1Very high96.3Very high41 Ų4157 Ų5718%0.17828%0.275CS..Hα-helixtrans-62.5-47.1177.5-178.861177.5173.40111.3F60 T85 C90 S91 M92 D188F60-K88 HydrophobicContact CB-CB 3.69Å; F60-K88 HydrophobicContact CB-CG 3.86Å; F60-K88 HydrophobicContact CD1-CD 4.35Å; F60-K88 HydrophobicContact CD1-CG 4.36Å; F60-K88 HydrophobicContact CD2-CB 4.47Å; F60-K88 HydrophobicContact CD2-CG 3.82Å; F60-K88 HydrophobicContact CE2-CG 4.47Å; F60-K88 HydrophobicContact CG-CB 4.19Å; F60-K88 HydrophobicContact CG-CD 4.24Å; F60-K88 HydrophobicContact CG-CG 3.76Å; T85-K88 PolarHBondContact O-N 3.04Å; T85-K88 WeakPolarHBondContact OG1-CB 3.47Å; K88-C90 PolarHBondContact O-N 3.39Å; K88-S91 PolarHBondContact O-N 3.46Å; K88-S91 PolarHBondContact O-OG 3.27Å; K88-M92 HydrophobicContact CG-CE 4.34Å; K88-M92 WeakPolarHBondContact O-CG 3.2Å; K88-M92 PolarHBondContact O-N 3.04Å; K88-D188 IonicContact NZ-OD1 2.67Å
89M95.5Very high96.5Very high14 Ų1460 Ų607%0.06929%0.29CS..Hα-helixtrans-57.9-48.6176.3-17567.9-151.400111.9T85 R86 D87 S91 M92 V93 M99 V119 R192T85-M89 PolarHBondContact O-N 3.31Å; T85-M89 VanDerWaalsContact O-N 3.1Å; R86-M89 PolarHBondContact O-N 2.95Å; D87-M89 PolarHBondContact O-N 3.47Å; M89-S91 VanDerWaalsContact C-N 3.3Å; M89-S91 PolarHBondContact O-N 3.06Å; M89-M92 PolarHBondContact O-N 3.48Å; M89-M92 HydrophobicContact SD-CE 3.99Å; M89-V93 HydrophobicContact CE-CG2 4.05Å; M89-V93 WeakPolarHBondContact O-CG2 3.41Å; M89-M99 HydrophobicContact CE-CE 4.31Å; M89-V119 HydrophobicContact CE-CG2 4.24Å; M89-V119 HydrophobicContact SD-CG1 4.49Å; M89-R192 HydrophobicContact SD-CG 4.16Å; M89-R192 PolarHBondContact SD-NH1 2.65Å; M89-R192 VanDerWaalsContact SD-NH1 3.44Å
90C95.4Very high96.5Very high79 Ų7960 Ų6053%0.53429%0.29SS..Hα-helixtrans-63.1-35179.4-74.10000112.7R86 D87 K88 M92 V93R86-C90 WeakPolarHBondContact O-CB 3.45Å; R86-C90 PolarHBondContact O-N 3.28Å; R86-C90 PolarHBondContact O-SG 3.04Å; D87-C90 PolarHBondContact O-N 3.36Å; K88-C90 PolarHBondContact O-N 3.39Å; C90-M92 VanDerWaalsContact C-N 3.34Å; C90-M92 PolarHBondContact O-N 3.04Å; C90-V93 PolarHBondContact O-N 3.24Å
91S96.5Very high96.6Very high59 Ų5961.6 Ų61.641%0.41330%0.297SS..Hα-helixtrans-68.4-29.3-179.474.40000114.2D87 K88 M89 K94D87-S91 WeakPolarHBondContact O-CB 3.34Å; D87-S91 PolarHBondContact O-N 2.83Å; K88-S91 PolarHBondContact O-N 3.46Å; K88-S91 PolarHBondContact O-OG 3.27Å; M89-S91 VanDerWaalsContact C-N 3.3Å; M89-S91 PolarHBondContact O-N 3.06Å; S91-K94 VanDerWaalsContact O-CE 3.23Å; S91-K94 WeakPolarHBondContact O-CE 3.5Å
92M95.9Very high96.7Very high2 Ų261.8 Ų61.81%0.0130%0.299CS..Hα-helixtrans-77.9-27.2-180-63.8-177.8-67.300112.1L84 K88 M89 C90 K94 Q97 F121 D188 Y190L84-M92 HydrophobicContact CD1-CE 4.03Å; K88-M92 HydrophobicContact CG-CE 4.34Å; K88-M92 WeakPolarHBondContact O-CG 3.2Å; K88-M92 PolarHBondContact O-N 3.04Å; M89-M92 PolarHBondContact O-N 3.48Å; M89-M92 HydrophobicContact SD-CE 3.99Å; C90-M92 VanDerWaalsContact C-N 3.34Å; C90-M92 PolarHBondContact O-N 3.04Å; M92-K94 PolarHBondContact O-N 3.09Å; M92-Q97 PolarHBondContact O-NE2 3.26Å; M92-F121 HydrophobicContact CB-CD2 4.15Å; M92-F121 HydrophobicContact CB-CE2 3.49Å; M92-F121 VanDerWaalsContact CB-CE2 3.49Å; M92-F121 HydrophobicContact CB-CZ 3.86Å; M92-F121 HydrophobicContact CG-CE2 4.45Å; M92-F121 HydrophobicContact SD-CE2 4.36Å; M92-D188 HydrophobicContact CG-CB 4.21Å; M92-D188 HydrophobicContact SD-CB 3.85Å; M92-Y190 HydrophobicContact CE-CD2 4.12Å; M92-Y190 HydrophobicContact SD-CD2 3.45Å; M92-Y190 WeakPolarHBondContact SD-CD2 3.29Å; M92-Y190 HydrophobicContact SD-CE2 3.41Å; M92-Y190 WeakPolarHBondContact SD-CE2 3.49Å
93V95.7Very high96.7Very high75 Ų7566.6 Ų66.646%0.45532%0.321SS..  trans-76.598.1179.9-172.80000110.2M89 C90 M99 F121M89-V93 HydrophobicContact CE-CG2 4.05Å; M89-V93 WeakPolarHBondContact O-CG2 3.41Å; C90-V93 PolarHBondContact O-N 3.24Å; V93-M99 HydrophobicContact CB-CE 4.13Å; V93-M99 HydrophobicContact CG1-CE 3.76Å; V93-M99 HydrophobicContact CG2-CE 3.33Å; V93-F121 HydrophobicContact CG2-CE1 4.34Å; V93-F121 HydrophobicContact CG2-CZ 4.09Å
94K95.8Very high96.7Very high132 Ų13266.2 Ų66.257%0.57432%0.32SS*.  trans-117.3157.1176.9-60.8174.9-175.3170.50111.1S91 M92 Q97S91-K94 VanDerWaalsContact O-CE 3.23Å; S91-K94 WeakPolarHBondContact O-CE 3.5Å; M92-K94 PolarHBondContact O-N 3.09Å; K94-Q97 WeakPolarHBondContact O-CG 3.45Å
95K96.6Very high96.8Very high175 Ų17569.5 Ų69.576%0.76134%0.337SS*.THydrogen-bonded Turntrans-69.9162.9170.9-67.7-175178.5-179.30110.5Q97K95-Q97 VanDerWaalsContact C-N 3.29Å; K95-Q97 PolarHBondContact O-N 3Å
96W96.6Very high96.7Very high118 Ų11868.6 Ų68.645%0.44733%0.332SS..THydrogen-bonded Turntrans7213.8173-41.5111.8000116.2K131 T132 S133 Y134W96-K131 HydrophobicContact CD2-CD 4.45Å; W96-K131 HydrophobicContact CG-CG 4.31Å; W96-T132 HydrophobicContact CB-CG2 4.23Å; W96-T132 HydrophobicContact CD2-CG2 4.22Å; W96-T132 HydrophobicContact CE3-CG2 3.43Å; W96-T132 VanDerWaalsContact CE3-CG2 3.43Å; W96-T132 HydrophobicContact CZ3-CG2 4.12Å; W96-T132 WeakPolarHBondContact O-CA 3.46Å; W96-S133 PolarHBondContact O-N 3.41Å; W96-Y134 VanDerWaalsContact C-CE1 3.49Å
97Q97.3Very high96.8Very high33 Ų3364.8 Ų64.815%0.15432%0.321CS..BIsolated β-bridgetrans-134159.7171.863.4-17219.500109.7M92 K94 K95 F121 T122 H187M92-Q97 PolarHBondContact O-NE2 3.26Å; K94-Q97 WeakPolarHBondContact O-CG 3.45Å; K95-Q97 VanDerWaalsContact C-N 3.29Å; K95-Q97 PolarHBondContact O-N 3Å; Q97-F121 HydrophobicContact CG-CD1 4.38Å; Q97-T122 WeakPolarHBondContact CB-OG1 3.45Å; Q97-H187 PolarHBondContact OE1-CE1 3.36Å; Q97-H187 VanDerWaalsContact OE1-CE1 3.23Å; Q97-H187 PolarHBondContact OE1-NE2 2.79Å
98T97.8Very high96.8Very high28 Ų2859.7 Ų59.717%0.17229%0.294CS..  trans-92.6128.1175.6-56.40000108.8I100 T122 Y134 A135 V140T98-I100 HydrophobicContact CG2-CG1 4.1Å; T98-T122 PolarHBondContact N-OG1 3.13Å; T98-T122 PolarHBondContact O-N 3.28Å; T98-Y134 WeakPolarHBondContact OG1-CA 3.25Å; T98-A135 PolarHBondContact OG1-N 3.01Å; T98-A135 VanDerWaalsContact OG1-N 3.13Å; T98-V140 HydrophobicContact CG2-CG2 3.97Å
99M97.8Very high96.7Very high66 Ų6662.1 Ų62.133%0.32531%0.312SS..EExtended strand (participates in β ladder)trans-85.6129.6167.8179-170.4-77.400109.1M89 V93 E101 V119 F121M89-M99 HydrophobicContact CE-CE 4.31Å; V93-M99 HydrophobicContact CB-CE 4.13Å; V93-M99 HydrophobicContact CG1-CE 3.76Å; V93-M99 HydrophobicContact CG2-CE 3.33Å; M99-E101 HydrophobicContact CG-CG 4.05Å; M99-E101 HydrophobicContact SD-CG 4.06Å; M99-V119 HydrophobicContact CG-CG2 4.19Å; M99-F121 HydrophobicContact CB-CD1 4.12Å; M99-F121 HydrophobicContact CB-CE1 3.84Å; M99-F121 HydrophobicContact CE-CE1 3.58Å; M99-F121 HydrophobicContact CE-CZ 3.81Å; M99-F121 HydrophobicContact CG-CD1 4.37Å; M99-F121 HydrophobicContact CG-CE1 3.77Å; M99-F121 HydrophobicContact CG-CZ 4.25Å
100I97.8Very high96.6Very high0 Ų063.3 Ų63.30%032%0.319CS..EExtended strand (participates in β ladder)trans-121.1115.5178.1-53.4174.8000108T98 V119 G120 T122 V140 I143 R144 M147 L186T98-I100 HydrophobicContact CG2-CG1 4.1Å; I100-V119 WeakPolarHBondContact O-CA 3.41Å; I100-G120 PolarHBondContact N-O 2.9Å; I100-G120 PolarHBondContact O-N 3.13Å; I100-T122 HydrophobicContact CD1-CG2 4.4Å; I100-V140 HydrophobicContact CD1-CG2 4.23Å; I100-V140 HydrophobicContact CG1-CG1 4.18Å; I100-V140 HydrophobicContact CG1-CG2 4.3Å; I100-V140 HydrophobicContact CG2-CG1 4.12Å; I100-I143 HydrophobicContact CD1-CB 4.27Å; I100-I143 HydrophobicContact CD1-CD1 3.66Å; I100-I143 HydrophobicContact CD1-CG2 3.96Å; I100-I143 HydrophobicContact CG2-CG2 3.91Å; I100-R144 HydrophobicContact CG2-CG 3.72Å; I100-M147 HydrophobicContact CG2-CE 4.46Å; I100-M147 HydrophobicContact CG2-SD 4.13Å; I100-L186 HydrophobicContact CD1-CD2 4.17Å
101E97.5Very high96.5Very high88 Ų8860.4 Ų60.441%0.41130%0.303SS..EExtended strand (participates in β ladder)trans-112.5145.2177.2-61.8-174.6145.200110.5M99 C118 V119 R144 R192M99-E101 HydrophobicContact CG-CG 4.05Å; M99-E101 HydrophobicContact SD-CG 4.06Å; E101-C118 WeakPolarHBondContact CA-O 3.43Å; E101-V119 HydrophobicContact CG-CG2 4.09Å; E101-R144 WeakPolarHBondContact O-CD 3.38Å; E101-R144 WeakPolarHBondContact O-CG 3.26Å; E101-R144 PolarHBondContact O-NE 3.35Å; E101-R192 IonicContact OE1-NH1 2.65Å
102A97.6Very high96.4Very high6 Ų658.6 Ų58.65%0.0529%0.287CS..EExtended strand (participates in β ladder)trans-141.6150.617300000109.7C118 M147 M148 M151A102-C118 PolarHBondContact N-O 2.87Å; A102-C118 PolarHBondContact O-N 3.03Å; A102-M147 HydrophobicContact CB-CB 3.83Å; A102-M147 HydrophobicContact CB-SD 4Å; A102-M148 HydrophobicContact CB-CE 4.03Å; A102-M148 HydrophobicContact CB-CG 4.21Å; A102-M151 HydrophobicContact CB-CE 4.17Å
103H97.5Very high96.5Very high105 Ų10561.1 Ų61.149%0.48630%0.3SS..EExtended strand (participates in β ladder)trans-137.4154170.866.2-87.4000109.8L116 F117H103-L116 CarbonylContact C-O 3.5Å; H103-L116 WeakPolarHBondContact CA-O 3.46Å; H103-L116 WeakPolarHBondContact CB-O 3.42Å; H103-F117 HydrophobicContact CB-CD1 3.68Å; H103-F117 HydrophobicContact CB-CE1 3.84Å; H103-F117 HydrophobicContact CB-CG 4.34Å
104V97.7Very high96.5Very high21 Ų2157.5 Ų57.513%0.12728%0.278CS..EExtended strand (participates in β ladder)trans-147.9144.5177.966.90000110.6V106 R115 L116 M151V104-V106 HydrophobicContact CB-CG2 4.18Å; V104-V106 HydrophobicContact CG1-CG2 3.66Å; V104-V106 HydrophobicContact CG2-CG2 3.59Å; V104-R115 WeakPolarHBondContact O-CA 3.45Å; V104-L116 HydrophobicContact CG1-CB 4.22Å; V104-L116 PolarHBondContact N-O 3.5Å; V104-L116 PolarHBondContact O-N 2.74Å; V104-M151 HydrophobicContact CB-CE 4.37Å; V104-M151 HydrophobicContact CG1-CB 3.72Å; V104-M151 HydrophobicContact CG1-CE 3.83Å; V104-M151 HydrophobicContact CG1-SD 4.12Å
105D97.7Very high96.6Very high76 Ų7655.1 Ų55.141%0.40627%0.266SS..EExtended strand (participates in β ladder)trans-101.2118.6170.3-68.7-23.4000108.9L114 R115D105-L114 WeakPolarHBondContact CA-O 3.16Å; D105-R115 VanDerWaalsContact OD1-CB 3.26Å; D105-R115 WeakPolarHBondContact OD1-CB 3.43Å; D105-R115 WeakPolarHBondContact OD1-CD 3.44Å; D105-R115 WeakPolarHBondContact OD1-CG 3.23Å; D105-R115 IonicContact OD1-CZ 2.74Å; D105-R115 IonicContact OD1-NE 2.69Å; D105-R115 PolarHBondContact OD1-NE 3.31Å; D105-R115 IonicContact OD1-NH2 3.51Å; D105-R115 PolarHBondContact OD1-NH2 3.17Å; D105-R115 IonicContact OD2-CZ 3.93Å; D105-R115 IonicContact OD2-NE 3.4Å; D105-R115 IonicContact OD2-NH2 3.82Å; D105-R115 PolarHBondContact OD2-NH2 3.38Å
106V96.8Very high96.7Very high2 Ų246.8 Ų46.81%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-135.1137.4-173.8-171.30000109.6V104 L114 T152 V155 Q156V104-V106 HydrophobicContact CB-CG2 4.18Å; V104-V106 HydrophobicContact CG1-CG2 3.66Å; V104-V106 HydrophobicContact CG2-CG2 3.59Å; V106-L114 PolarHBondContact N-O 3.33Å; V106-L114 PolarHBondContact O-N 3.01Å; V106-T152 HydrophobicContact CG2-CG2 4.44Å; V106-V155 HydrophobicContact CB-CB 4.2Å; V106-V155 HydrophobicContact CB-CG1 3.9Å; V106-V155 HydrophobicContact CG1-CB 3.76Å; V106-V155 HydrophobicContact CG1-CG1 3.64Å; V106-Q156 HydrophobicContact CG1-CB 4.32Å; V106-Q156 HydrophobicContact CG1-CG 3.31Å
107K96.8Very high96.7Very high128 Ų12843.8 Ų43.856%0.55722%0.22SC*.EExtended strand (participates in β ladder)trans-97.6131.1173.7-167.2-178.3173.1-173.10108.8Y112 L113K107-Y112 WeakPolarHBondContact CA-O 3.46Å; K107-L113 HydrophobicContact CB-CD1 4.03Å
108T96Very high96.7Very high6 Ų642.3 Ų42.34%0.03721%0.213CC..  trans-78.6169.7171.556.40000111D110 G111 Y112 L114 V155 N158 V163T108-D110 VanDerWaalsContact C-N 3.34Å; T108-D110 WeakPolarHBondContact CB-OD1 3.34Å; T108-D110 PolarHBondContact O-N 2.81Å; T108-D110 PolarHBondContact OG1-OD1 3.07Å; T108-G111 PolarHBondContact O-N 2.99Å; T108-Y112 PolarHBondContact N-O 3.1Å; T108-Y112 VanDerWaalsContact OG1-CB 3.32Å; T108-Y112 WeakPolarHBondContact OG1-CB 3.4Å; T108-Y112 PolarHBondContact OG1-N 3.32Å; T108-Y112 VanDerWaalsContact OG1-N 3.13Å; T108-Y112 PolarHBondContact OG1-O 2.96Å; T108-Y112 VanDerWaalsContact OG1-O 3.11Å; T108-L114 HydrophobicContact CG2-CD1 3.78Å; T108-V155 HydrophobicContact CG2-CG1 3.76Å; T108-N158 WeakPolarHBondContact CB-O 3.18Å; T108-V163 HydrophobicContact CG2-CG2 4.22Å
109T95.6Very high96.7Very high91 Ų9141 Ų4156%0.55821%0.205SC*.THydrogen-bonded Turntrans-62.8-37.7-178.555.90000113.1G111 Q156 N158 D159T109-G111 VanDerWaalsContact C-N 3.25Å; T109-G111 PolarHBondContact O-N 3.32Å; T109-Q156 WeakPolarHBondContact CG2-O 3.13Å; T109-N158 PolarHBondContact N-O 3.27Å; T109-N158 PolarHBondContact OG1-O 3.08Å; T109-D159 WeakPolarHBondContact OG1-CA 3.32Å; T109-D159 PolarHBondContact OG1-N 3.49Å
110D92.2Very high96.7Very high39 Ų3937.9 Ų37.921%0.20919%0.19CC..THydrogen-bonded Turntrans-80.11178.755.5-6.2000114T108 Y112 L160T108-D110 VanDerWaalsContact C-N 3.34Å; T108-D110 WeakPolarHBondContact CB-OD1 3.34Å; T108-D110 PolarHBondContact O-N 2.81Å; T108-D110 PolarHBondContact OG1-OD1 3.07Å; D110-Y112 HydrophobicContact CB-CD2 4.33Å; D110-Y112 HydrophobicContact CB-CE2 4.48Å; D110-Y112 VanDerWaalsContact CG-CD2 3.41Å; D110-Y112 WeakPolarHBondContact OD1-CD2 3.48Å; D110-Y112 VanDerWaalsContact OD2-CD2 3.27Å; D110-Y112 WeakPolarHBondContact OD2-CD2 3.3Å; D110-Y112 WeakPolarHBondContact OD2-CE2 3.34Å; D110-L160 VanDerWaalsContact OD2-CB 3.3Å; D110-L160 WeakPolarHBondContact OD2-CB 2.94Å; D110-L160 PolarHBondContact OD2-N 3.33Å
111G92.9Very high96.7Very high19 Ų1938 Ų3820%0.19619%0.19CC..SBendtrans94.58.5168.100000115.7T108 T109T108-G111 PolarHBondContact O-N 2.99Å; T109-G111 VanDerWaalsContact C-N 3.25Å; T109-G111 PolarHBondContact O-N 3.32Å
112Y95.4Very high96.7Very high20 Ų2033.8 Ų33.88%0.07817%0.171CC..  trans-74.5131.8170.8-71.3-85.8000110.8N78 K107 T108 D110 L160 M196 K199 P200N78-Y112 PolarHBondContact ND2-OH 2.86Å; K107-Y112 WeakPolarHBondContact CA-O 3.46Å; T108-Y112 PolarHBondContact N-O 3.1Å; T108-Y112 VanDerWaalsContact OG1-CB 3.32Å; T108-Y112 WeakPolarHBondContact OG1-CB 3.4Å; T108-Y112 PolarHBondContact OG1-N 3.32Å; T108-Y112 VanDerWaalsContact OG1-N 3.13Å; T108-Y112 PolarHBondContact OG1-O 2.96Å; T108-Y112 VanDerWaalsContact OG1-O 3.11Å; D110-Y112 HydrophobicContact CB-CD2 4.33Å; D110-Y112 HydrophobicContact CB-CE2 4.48Å; D110-Y112 VanDerWaalsContact CG-CD2 3.41Å; D110-Y112 WeakPolarHBondContact OD1-CD2 3.48Å; D110-Y112 VanDerWaalsContact OD2-CD2 3.27Å; D110-Y112 WeakPolarHBondContact OD2-CD2 3.3Å; D110-Y112 WeakPolarHBondContact OD2-CE2 3.34Å; Y112-L160 HydrophobicContact CD1-CD2 4.13Å; Y112-L160 HydrophobicContact CD2-CB 4.01Å; Y112-L160 HydrophobicContact CD2-CD2 3.99Å; Y112-L160 HydrophobicContact CD2-CG 4.46Å; Y112-L160 HydrophobicContact CE1-CD2 3.96Å; Y112-L160 HydrophobicContact CE2-CB 4.2Å; Y112-L160 HydrophobicContact CE2-CD2 3.85Å; Y112-L160 HydrophobicContact CG-CD2 4.13Å; Y112-M196 VanDerWaalsContact CB-CE 3.49Å; Y112-M196 HydrophobicContact CD1-CE 3.57Å; Y112-M196 HydrophobicContact CD1-SD 3.52Å; Y112-M196 VanDerWaalsContact CD1-SD 3.52Å; Y112-M196 HydrophobicContact CE1-SD 4.18Å; Y112-M196 HydrophobicContact CG-CE 3.94Å; Y112-M196 HydrophobicContact CG-SD 4.41Å; Y112-K199 HydrophobicContact CD1-CB 4.3Å; Y112-K199 HydrophobicContact CD1-CG 4.07Å; Y112-K199 HydrophobicContact CE1-CB 4.17Å; Y112-K199 HydrophobicContact CE1-CD 4.45Å; Y112-K199 HydrophobicContact CE1-CG 3.99Å; Y112-P200 HydrophobicContact CD1-CG 4.31Å; Y112-P200 HydrophobicContact CD2-CG 4.09Å; Y112-P200 VanDerWaalsContact CE1-CD 3.4Å; Y112-P200 HydrophobicContact CE1-CG 4.07Å; Y112-P200 HydrophobicContact CE2-CG 3.81Å; Y112-P200 HydrophobicContact CG-CG 4.34Å
113L96.8Very high96.7Very high55 Ų5537.7 Ų37.729%0.28819%0.187SC..EExtended strand (participates in β ladder)trans-100.1115.4174.1-172.170.1000109.2K107 M196 L197 K198K107-L113 HydrophobicContact CB-CD1 4.03Å; L113-M196 WeakPolarHBondContact O-CE 3.27Å; L113-L197 HydrophobicContact CB-CB 4.27Å; L113-L197 HydrophobicContact CD2-CB 3.94Å; L113-L197 HydrophobicContact CD2-CD1 3.95Å; L113-L197 HydrophobicContact CG-CB 4.08Å; L113-L197 HydrophobicContact CG-CD1 4.1Å; L113-L197 WeakPolarHBondContact O-CB 3.47Å; L113-L197 PolarHBondContact O-N 3.19Å; L113-K198 HydrophobicContact CB-CB 3.82Å; L113-K198 HydrophobicContact CD2-CB 4.43Å; L113-K198 PolarHBondContact N-O 2.66Å; L113-K198 PolarHBondContact O-N 3.39Å
114L97.1Very high96.6Very high0 Ų037.4 Ų37.40%018%0.184CC..EExtended strand (participates in β ladder)trans-111.1142.4-177.5-67.1169000110.7F79 D105 V106 T108 L116 V155 L160 V163 V194 K195 M196F79-L114 HydrophobicContact CE1-CD2 4.27Å; D105-L114 WeakPolarHBondContact CA-O 3.16Å; V106-L114 PolarHBondContact N-O 3.33Å; V106-L114 PolarHBondContact O-N 3.01Å; T108-L114 HydrophobicContact CG2-CD1 3.78Å; L114-L116 HydrophobicContact CB-CD1 3.92Å; L114-V155 HydrophobicContact CD1-CG1 4.2Å; L114-L160 HydrophobicContact CD1-CD1 4.02Å; L114-L160 HydrophobicContact CD2-CD1 4.47Å; L114-V163 HydrophobicContact CD1-CG1 4.2Å; L114-V194 HydrophobicContact CD2-CG1 3.79Å; L114-K195 CarbonylContact C-O 3.52Å; L114-K195 WeakPolarHBondContact CA-O 3.46Å; L114-M196 HydrophobicContact CD2-CE 3.22Å; L114-M196 HydrophobicContact CD2-SD 4.27Å; L114-M196 HydrophobicContact CG-CE 3.74Å
115R97.8Very high96.4Very high81 Ų8144.5 Ų44.531%0.30621%0.208SC..EExtended strand (participates in β ladder)trans-109113.5164.9-178.4171.5-70167.82109.4V104 D105 F117 V194 K195 L197V104-R115 WeakPolarHBondContact O-CA 3.45Å; D105-R115 VanDerWaalsContact OD1-CB 3.26Å; D105-R115 WeakPolarHBondContact OD1-CB 3.43Å; D105-R115 WeakPolarHBondContact OD1-CD 3.44Å; D105-R115 WeakPolarHBondContact OD1-CG 3.23Å; D105-R115 IonicContact OD1-CZ 2.74Å; D105-R115 IonicContact OD1-NE 2.69Å; D105-R115 PolarHBondContact OD1-NE 3.31Å; D105-R115 IonicContact OD1-NH2 3.51Å; D105-R115 PolarHBondContact OD1-NH2 3.17Å; D105-R115 IonicContact OD2-CZ 3.93Å; D105-R115 IonicContact OD2-NE 3.4Å; D105-R115 IonicContact OD2-NH2 3.82Å; D105-R115 PolarHBondContact OD2-NH2 3.38Å; R115-F117 HydrophobicContact CB-CE2 4.45Å; R115-F117 VanDerWaalsContact CD-CZ 3.48Å; R115-F117 HydrophobicContact CG-CD2 4.28Å; R115-F117 HydrophobicContact CG-CE2 3.59Å; R115-F117 HydrophobicContact CG-CZ 3.85Å; R115-V194 WeakPolarHBondContact O-CA 3.36Å; R115-K195 HydrophobicContact CB-CB 4.3Å; R115-K195 PolarHBondContact N-O 3.01Å; R115-K195 PolarHBondContact O-N 3.4Å; R115-L197 HydrophobicContact CB-CD1 4.04Å; R115-L197 HydrophobicContact CB-CD2 4.24Å; R115-L197 HydrophobicContact CB-CG 4.09Å
116L97.4Very high96.2Very high0 Ų048.2 Ų48.20%023%0.228CC..EExtended strand (participates in β ladder)trans-98139.4177.3-66.689.6000109.8H103 V104 L114 M151 V155 V191 V194H103-L116 CarbonylContact C-O 3.5Å; H103-L116 WeakPolarHBondContact CA-O 3.46Å; H103-L116 WeakPolarHBondContact CB-O 3.42Å; V104-L116 HydrophobicContact CG1-CB 4.22Å; V104-L116 PolarHBondContact N-O 3.5Å; V104-L116 PolarHBondContact O-N 2.74Å; L114-L116 HydrophobicContact CB-CD1 3.92Å; L116-M151 HydrophobicContact CB-SD 3.99Å; L116-V155 HydrophobicContact CD1-CG1 4.41Å; L116-V155 HydrophobicContact CD1-CG2 4.03Å; L116-V155 HydrophobicContact CD2-CG2 3.85Å; L116-V191 HydrophobicContact CD2-CG1 4.43Å; L116-V194 HydrophobicContact CD2-CG2 4.36Å; L116-V194 HydrophobicContact CG-CG2 4.18Å
117F98.1Very high96.1Very high55 Ų5555.7 Ų55.724%0.24127%0.268CS..EExtended strand (participates in β ladder)trans-117.5125.2172.2-65.3-93.8000108.2H103 R115 V191 R192 K193 K195H103-F117 HydrophobicContact CB-CD1 3.68Å; H103-F117 HydrophobicContact CB-CE1 3.84Å; H103-F117 HydrophobicContact CB-CG 4.34Å; R115-F117 HydrophobicContact CB-CE2 4.45Å; R115-F117 VanDerWaalsContact CD-CZ 3.48Å; R115-F117 HydrophobicContact CG-CD2 4.28Å; R115-F117 HydrophobicContact CG-CE2 3.59Å; R115-F117 HydrophobicContact CG-CZ 3.85Å; F117-V191 CarbonylContact O-C 3.38Å; F117-V191 WeakPolarHBondContact O-CA 3.32Å; F117-R192 HydrophobicContact CB-CB 4.36Å; F117-R192 PolarHBondContact O-N 3.5Å; F117-K193 HydrophobicContact CB-CB 4.1Å; F117-K193 HydrophobicContact CD2-CB 3.84Å; F117-K193 HydrophobicContact CD2-CG 4.29Å; F117-K193 HydrophobicContact CG-CB 4.26Å; F117-K193 PolarHBondContact N-O 2.88Å; F117-K193 PolarHBondContact O-N 2.72Å; F117-K195 HydrophobicContact CE2-CD 3.99Å; F117-K195 HydrophobicContact CE2-CG 4.2Å
118C96.8Very high96Very high3 Ų351.7 Ų51.72%0.0225%0.251CS..EExtended strand (participates in β ladder)trans-111.2143.7172.9-174.30000109.6E101 A102 M151 Y190E101-C118 WeakPolarHBondContact CA-O 3.43Å; A102-C118 PolarHBondContact N-O 2.87Å; A102-C118 PolarHBondContact O-N 3.03Å; C118-M151 HydrophobicContact CB-CE 3.96Å; C118-M151 HydrophobicContact CB-SD 3.62Å; C118-Y190 WeakPolarHBondContact CA-O 3.3Å
119V97.7Very high96Very high0 Ų059.4 Ų59.40%029%0.291CS..EExtended strand (participates in β ladder)trans-129.4145.5170.265.50000109M89 M99 I100 E101 F121 V189 Y190 R192M89-V119 HydrophobicContact CE-CG2 4.24Å; M89-V119 HydrophobicContact SD-CG1 4.49Å; M99-V119 HydrophobicContact CG-CG2 4.19Å; I100-V119 WeakPolarHBondContact O-CA 3.41Å; E101-V119 HydrophobicContact CG-CG2 4.09Å; V119-F121 HydrophobicContact CG2-CE2 3.83Å; V119-F121 HydrophobicContact CG2-CZ 3.91Å; V119-V189 WeakPolarHBondContact O-CA 3.47Å; V119-Y190 PolarHBondContact N-O 3Å; V119-Y190 PolarHBondContact O-N 3.13Å; V119-R192 HydrophobicContact CG1-CB 4.06Å
120G97.6Very high95.9Very high0 Ų064.4 Ų64.40%030%0.3CS..EExtended strand (participates in β ladder)trans-150.7156.6170.700000111.6I100I100-G120 PolarHBondContact N-O 2.9Å; I100-G120 PolarHBondContact O-N 3.13Å
121F97.9Very high96Very high2 Ų269.3 Ų69.31%0.00932%0.319CS..EExtended strand (participates in β ladder)trans-124.2144.5-177.5-61.4-88.4000111.2M92 V93 Q97 M99 V119 K123 L186 H187 D188M92-F121 HydrophobicContact CB-CD2 4.15Å; M92-F121 HydrophobicContact CB-CE2 3.49Å; M92-F121 VanDerWaalsContact CB-CE2 3.49Å; M92-F121 HydrophobicContact CB-CZ 3.86Å; M92-F121 HydrophobicContact CG-CE2 4.45Å; M92-F121 HydrophobicContact SD-CE2 4.36Å; V93-F121 HydrophobicContact CG2-CE1 4.34Å; V93-F121 HydrophobicContact CG2-CZ 4.09Å; Q97-F121 HydrophobicContact CG-CD1 4.38Å; M99-F121 HydrophobicContact CB-CD1 4.12Å; M99-F121 HydrophobicContact CB-CE1 3.84Å; M99-F121 HydrophobicContact CE-CE1 3.58Å; M99-F121 HydrophobicContact CE-CZ 3.81Å; M99-F121 HydrophobicContact CG-CD1 4.37Å; M99-F121 HydrophobicContact CG-CE1 3.77Å; M99-F121 HydrophobicContact CG-CZ 4.25Å; V119-F121 HydrophobicContact CG2-CE2 3.83Å; V119-F121 HydrophobicContact CG2-CZ 3.91Å; F121-K123 PolarHBondContact O-N 3.07Å; F121-L186 CarbonylContact O-C 3.53Å; F121-L186 VanDerWaalsContact O-CA 3.29Å; F121-L186 WeakPolarHBondContact O-CA 3.48Å; F121-H187 PolarHBondContact N-O 3.02Å; F121-H187 VanDerWaalsContact N-O 3.1Å; F121-H187 PolarHBondContact O-N 2.67Å; F121-H187 PolarHBondContact O-ND1 3.16Å; F121-D188 HydrophobicContact CD2-CB 4.01Å
122T97.8Very high96.2Very high1 Ų170.5 Ų70.51%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-68.9130.4177.150.30000111.7Q97 T98 I100 S133 A135 Y184 L186 H187Q97-T122 WeakPolarHBondContact CB-OG1 3.45Å; T98-T122 PolarHBondContact N-OG1 3.13Å; T98-T122 PolarHBondContact O-N 3.28Å; I100-T122 HydrophobicContact CD1-CG2 4.4Å; T122-S133 VanDerWaalsContact CB-O 3.29Å; T122-S133 WeakPolarHBondContact CB-O 3.43Å; T122-S133 PolarHBondContact OG1-O 2.98Å; T122-A135 HydrophobicContact CG2-CB 3.87Å; T122-Y184 HydrophobicContact CG2-CD1 3.63Å; T122-Y184 HydrophobicContact CG2-CE1 3.69Å; T122-Y184 HydrophobicContact CG2-CG 4.36Å; T122-L186 HydrophobicContact CG2-CD2 4.35Å; T122-H187 PolarHBondContact O-CE1 2.74Å; T122-H187 PolarHBondContact O-ND1 3.09Å
123K96.9Very high96.2Very high88 Ų8869.8 Ų69.838%0.38332%0.32SS..PPolyproline II helixtrans-88.1130.7-178.4-174176.1-173.6167.90110.8F121 P185 H187F121-K123 PolarHBondContact O-N 3.07Å; K123-P185 HydrophobicContact CB-CB 4.2Å; K123-P185 WeakPolarHBondContact CB-O 3.37Å; K123-P185 PolarHBondContact N-O 3.45Å; K123-H187 WeakPolarHBondContact CA-ND1 3.29Å; K123-H187 HydrophobicContact CB-CB 4.07Å; K123-H187 HydrophobicContact CD-CB 4.22Å; K123-H187 HydrophobicContact CG-CB 4.2Å
124K95.4Very high96.3Very high99 Ų9973 Ų7343%0.4333%0.33SS..PPolyproline II helixtrans-72.6130.9168.1-171.8179.8176.9-175.10109.5Q128 R130 S133K124-Q128 WeakPolarHBondContact CE-O 3.43Å; K124-Q128 HydrophobicContact CG-CB 4.06Å; K124-Q128 HydrophobicContact CG-CG 4.34Å; K124-Q128 PolarHBondContact NZ-O 2.93Å; K124-R130 VanDerWaalsContact CE-O 3.23Å; K124-R130 WeakPolarHBondContact CE-O 3.38Å; K124-R130 PolarHBondContact NZ-O 3.45Å; K124-S133 WeakPolarHBondContact CA-OG 3.03Å; K124-S133 WeakPolarHBondContact CB-OG 3.47Å
125R94.1Very high96.3Very high169 Ų16973.7 Ų73.764%0.63834%0.335SS*.PPolyproline II helixtrans-73.3148.5174.1-64.2-173.3177.9-172.3-0.6110.6N127 Q128R125-N127 PolarHBondContact O-N 3.2Å; R125-Q128 HydrophobicContact CB-CB 4.17Å; R125-Q128 WeakPolarHBondContact O-CB 3.48Å; R125-Q128 PolarHBondContact O-N 3.43Å
126N94.1Very high96.2Very high155 Ų15576.6 Ų76.683%0.82935%0.352SS*.THydrogen-bonded Turntrans-57.3-38.3-177.1-6331.1000112.4Q128N126-Q128 VanDerWaalsContact C-N 3.33Å; N126-Q128 PolarHBondContact O-N 3.11Å
127N94.6Very high96.2Very high159 Ų15983.1 Ų83.185%0.8538%0.382SS*.THydrogen-bonded Turntrans-9315-178.5-58.8-10.2000113.3R125 I129R125-N127 PolarHBondContact O-N 3.2Å; N127-I129 PolarHBondContact O-N 2.5Å
128Q94.3Very high96.2Very high43 Ų4385.5 Ų85.520%0.20139%0.394CS..  trans-85.2112.5-177.2-172.9175.4-24.200111.4K124 R125 N126 R130 T132 S133K124-Q128 WeakPolarHBondContact CE-O 3.43Å; K124-Q128 HydrophobicContact CG-CB 4.06Å; K124-Q128 HydrophobicContact CG-CG 4.34Å; K124-Q128 PolarHBondContact NZ-O 2.93Å; R125-Q128 HydrophobicContact CB-CB 4.17Å; R125-Q128 WeakPolarHBondContact O-CB 3.48Å; R125-Q128 PolarHBondContact O-N 3.43Å; N126-Q128 VanDerWaalsContact C-N 3.33Å; N126-Q128 PolarHBondContact O-N 3.11Å; Q128-R130 HydrophobicContact CG-CB 4.29Å; Q128-T132 PolarHBondContact NE2-O 2.88Å; Q128-S133 PolarHBondContact NE2-OG 2.84Å
129I94.8Very high96.2Very high169 Ų16987.8 Ų87.887%0.86740%0.404SS*.  trans-69.2-39.1177.6-55.2171.4000110.9N127 K131N127-I129 PolarHBondContact O-N 2.5Å; I129-K131 PolarHBondContact O-N 3.31Å
130R95.2Very high96.2Very high196 Ų19688.4 Ų88.474%0.7441%0.408SS*.SBendtrans-58.8135.8179.7-70-174.4178.8-179.20.1111K124 Q128 T132K124-R130 VanDerWaalsContact CE-O 3.23Å; K124-R130 WeakPolarHBondContact CE-O 3.38Å; K124-R130 PolarHBondContact NZ-O 3.45Å; Q128-R130 HydrophobicContact CG-CB 4.29Å; R130-T132 VanDerWaalsContact C-N 3.29Å; R130-T132 PolarHBondContact O-N 3.17Å
131K94.1Very high96.2Very high142 Ų14295.5 Ų95.562%0.61744%0.435SS*.SBendtrans-66.3-32.6175.8-170.3174.8-175.5176.60112.3W96 I129W96-K131 HydrophobicContact CD2-CD 4.45Å; W96-K131 HydrophobicContact CG-CG 4.31Å; I129-K131 PolarHBondContact O-N 3.31Å
132T96.5Very high96.2Very high44 Ų4499.6 Ų99.627%0.2745%0.454SS..  trans-98.2142.7-174.259.50000112.5W96 Q128 R130 Y134W96-T132 HydrophobicContact CB-CG2 4.23Å; W96-T132 HydrophobicContact CD2-CG2 4.22Å; W96-T132 HydrophobicContact CE3-CG2 3.43Å; W96-T132 VanDerWaalsContact CE3-CG2 3.43Å; W96-T132 HydrophobicContact CZ3-CG2 4.12Å; W96-T132 WeakPolarHBondContact O-CA 3.46Å; Q128-T132 PolarHBondContact NE2-O 2.88Å; R130-T132 VanDerWaalsContact C-N 3.29Å; R130-T132 PolarHBondContact O-N 3.17Å; T132-Y134 HydrophobicContact CG2-CD2 4.37Å; T132-Y134 HydrophobicContact CG2-CE2 3.74Å
133S96.3Very high96.2Very high4 Ų499.5 Ų99.53%0.02845%0.454CS..BIsolated β-bridgetrans-125.567.5174.4-55.30000109.2W96 T122 K124 Q128 Y184W96-S133 PolarHBondContact O-N 3.41Å; T122-S133 VanDerWaalsContact CB-O 3.29Å; T122-S133 WeakPolarHBondContact CB-O 3.43Å; T122-S133 PolarHBondContact OG1-O 2.98Å; K124-S133 WeakPolarHBondContact CA-OG 3.03Å; K124-S133 WeakPolarHBondContact CB-OG 3.47Å; Q128-S133 PolarHBondContact NE2-OG 2.84Å; S133-Y184 VanDerWaalsContact C-OH 3.26Å; S133-Y184 WeakPolarHBondContact CA-OH 3.43Å
134Y97.4Very high96.2Very high124 Ų124100.1 Ų100.149%0.48645%0.454SS..PPolyproline II helixtrans-90.5132.7-179.7-60.9-39.2000111.3W96 T98 T132W96-Y134 VanDerWaalsContact C-CE1 3.49Å; T98-Y134 WeakPolarHBondContact OG1-CA 3.25Å; T132-Y134 HydrophobicContact CG2-CD2 4.37Å; T132-Y134 HydrophobicContact CG2-CE2 3.74Å
135A96.8Very high96.3Very high14 Ų14102.7 Ų102.712%0.11647%0.465CS..PPolyproline II helixtrans-83.8140.9169.100000109.7T98 T122 Q139 V140 Y184T98-A135 PolarHBondContact OG1-N 3.01Å; T98-A135 VanDerWaalsContact OG1-N 3.13Å; T122-A135 HydrophobicContact CG2-CB 3.87Å; A135-Q139 HydrophobicContact CB-CB 4.32Å; A135-V140 HydrophobicContact CB-CG2 3.87Å; A135-Y184 HydrophobicContact CB-CD2 4.01Å; A135-Y184 HydrophobicContact CB-CE2 4.26Å; A135-Y184 HydrophobicContact CB-CG 4.26Å
136Q97.6Very high96.5Very high142 Ų14298.4 Ų98.466%0.66445%0.451SS*.PPolyproline II helixtrans-66.6154.8172.5-68.8-177.8-1800110.5Q138 Q139 V140Q136-Q138 PolarHBondContact O-N 2.84Å; Q136-Q138 VanDerWaalsContact O-N 3.17Å; Q136-Q139 HydrophobicContact CB-CG 4.39Å; Q136-Q139 WeakPolarHBondContact O-CB 3.36Å; Q136-Q139 PolarHBondContact O-N 2.89Å; Q136-V140 PolarHBondContact O-N 3.41Å
137H97.1Very high96.6Very high137 Ų13791 Ų9163%0.63441%0.411SS*.Hα-helixtrans-55.7-39.3-175.9-17273.9000113.1V140 R141H137-V140 WeakPolarHBondContact O-CB 3.49Å; H137-V140 PolarHBondContact O-N 2.95Å; H137-R141 WeakPolarHBondContact O-CG 3.33Å; H137-R141 PolarHBondContact O-N 3.13Å
138Q97.7Very high96.8Very high105 Ų10586.8 Ų86.849%0.49139%0.387SS..Hα-helixtrans-66-38.9177.8-171.264.5-1.400112.7Q136 V140 R141 Q142Q136-Q138 PolarHBondContact O-N 2.84Å; Q136-Q138 VanDerWaalsContact O-N 3.17Å; Q138-V140 VanDerWaalsContact C-N 3.34Å; Q138-R141 PolarHBondContact O-N 3Å; Q138-Q142 WeakPolarHBondContact O-CG 3.42Å; Q138-Q142 PolarHBondContact O-N 3.42Å
139Q97.2Very high96.9Very high50 Ų5090.3 Ų90.323%0.23440%0.404CS..Hα-helixtrans-63.4-41.8174.4-66.1173.6-4100110.8A135 Q136 R141 Q142 I143 I183A135-Q139 HydrophobicContact CB-CB 4.32Å; Q136-Q139 HydrophobicContact CB-CG 4.39Å; Q136-Q139 WeakPolarHBondContact O-CB 3.36Å; Q136-Q139 PolarHBondContact O-N 2.89Å; Q139-R141 VanDerWaalsContact C-N 3.33Å; Q139-R141 PolarHBondContact O-N 3.22Å; Q139-Q142 PolarHBondContact O-N 3.49Å; Q139-I143 WeakPolarHBondContact O-CB 3.46Å; Q139-I143 VanDerWaalsContact O-CG1 3.27Å; Q139-I143 WeakPolarHBondContact O-CG1 3.2Å; Q139-I143 PolarHBondContact O-N 2.97Å; Q139-I183 HydrophobicContact CB-CG2 3.94Å; Q139-I183 HydrophobicContact CG-CG2 4.14Å
140V97.9Very high97Very high13 Ų1382.8 Ų82.88%0.07937%0.365CS..Hα-helixtrans-59.7-43.2175.5176.70000111.3T98 I100 A135 Q136 H137 Q138 I143 R144T98-V140 HydrophobicContact CG2-CG2 3.97Å; I100-V140 HydrophobicContact CD1-CG2 4.23Å; I100-V140 HydrophobicContact CG1-CG1 4.18Å; I100-V140 HydrophobicContact CG1-CG2 4.3Å; I100-V140 HydrophobicContact CG2-CG1 4.12Å; A135-V140 HydrophobicContact CB-CG2 3.87Å; Q136-V140 PolarHBondContact O-N 3.41Å; H137-V140 WeakPolarHBondContact O-CB 3.49Å; H137-V140 PolarHBondContact O-N 2.95Å; Q138-V140 VanDerWaalsContact C-N 3.34Å; V140-I143 PolarHBondContact O-N 2.8Å; V140-R144 WeakPolarHBondContact O-CG 3.17Å; V140-R144 PolarHBondContact O-N 3.39Å
141R97.6Very high97.1Very high149 Ų14973.5 Ų73.556%0.56233%0.33SS*.Hα-helixtrans-63.7-42.5176.8-68.8179.375.9-176.96.7112.2H137 Q138 Q139 R144 K145H137-R141 WeakPolarHBondContact O-CG 3.33Å; H137-R141 PolarHBondContact O-N 3.13Å; Q138-R141 PolarHBondContact O-N 3Å; Q139-R141 VanDerWaalsContact C-N 3.33Å; Q139-R141 PolarHBondContact O-N 3.22Å; R141-R144 PolarHBondContact O-N 3.37Å; R141-K145 PolarHBondContact O-N 2.87Å
142Q97.3Very high97.2Very high88 Ų8868.2 Ų68.241%0.41131%0.31SS..Hα-helixtrans-65.3-42.2177.3-70.3175.9-3.500112.1Q138 Q139 K145 K146 I183Q138-Q142 WeakPolarHBondContact O-CG 3.42Å; Q138-Q142 PolarHBondContact O-N 3.42Å; Q139-Q142 PolarHBondContact O-N 3.49Å; Q142-K145 PolarHBondContact O-N 2.83Å; Q142-K146 PolarHBondContact O-N 3.43Å; Q142-I183 HydrophobicContact CB-CD1 4Å; Q142-I183 HydrophobicContact CB-CG2 4.49Å
143I97.5Very high97.2Very high0 Ų072.5 Ų72.50%032%0.321CS..Hα-helixtrans-62.4-45.5175.5-69.7164.7000110.6I100 Q139 V140 K145 K146 M147 C180 I183 L186I100-I143 HydrophobicContact CD1-CB 4.27Å; I100-I143 HydrophobicContact CD1-CD1 3.66Å; I100-I143 HydrophobicContact CD1-CG2 3.96Å; I100-I143 HydrophobicContact CG2-CG2 3.91Å; Q139-I143 WeakPolarHBondContact O-CB 3.46Å; Q139-I143 VanDerWaalsContact O-CG1 3.27Å; Q139-I143 WeakPolarHBondContact O-CG1 3.2Å; Q139-I143 PolarHBondContact O-N 2.97Å; V140-I143 PolarHBondContact O-N 2.8Å; I143-K145 VanDerWaalsContact C-N 3.31Å; I143-K145 PolarHBondContact O-N 2.82Å; I143-K146 PolarHBondContact O-N 3.23Å; I143-M147 HydrophobicContact CG2-CE 3.99Å; I143-M147 HydrophobicContact CG2-CG 4.37Å; I143-M147 HydrophobicContact CG2-SD 4.11Å; I143-M147 WeakPolarHBondContact O-CG 3.48Å; I143-M147 PolarHBondContact O-N 2.82Å; I143-C180 HydrophobicContact CG1-CB 4.44Å; I143-I183 HydrophobicContact CD1-CG2 4.17Å; I143-I183 HydrophobicContact CG1-CB 4.16Å; I143-I183 HydrophobicContact CG1-CD1 4.14Å; I143-I183 HydrophobicContact CG1-CG2 3.95Å; I143-L186 HydrophobicContact CD1-CD2 4.34Å; I143-L186 HydrophobicContact CG2-CD1 3.92Å
144R97.6Very high97.1Very high100 Ų10073.6 Ų73.638%0.37733%0.326SS..Hα-helixtrans-59.2-41.6175.9-77-177.3178.4168.35.1112.4I100 E101 V140 R141 M147 M148I100-R144 HydrophobicContact CG2-CG 3.72Å; E101-R144 WeakPolarHBondContact O-CD 3.38Å; E101-R144 WeakPolarHBondContact O-CG 3.26Å; E101-R144 PolarHBondContact O-NE 3.35Å; V140-R144 WeakPolarHBondContact O-CG 3.17Å; V140-R144 PolarHBondContact O-N 3.39Å; R141-R144 PolarHBondContact O-N 3.37Å; R144-M147 PolarHBondContact O-N 2.73Å; R144-M148 HydrophobicContact CB-CE 4.31Å; R144-M148 VanDerWaalsContact O-CG 3.3Å; R144-M148 WeakPolarHBondContact O-CG 3.43Å; R144-M148 PolarHBondContact O-N 3Å
145K97.5Very high97Very high153 Ų15367.7 Ų67.767%0.66530%0.303SS*.Hα-helixtrans-60.4-47176.3-173.9177.7178.4-177.30111.1R141 Q142 I143 M148 E149R141-K145 PolarHBondContact O-N 2.87Å; Q142-K145 PolarHBondContact O-N 2.83Å; I143-K145 VanDerWaalsContact C-N 3.31Å; I143-K145 PolarHBondContact O-N 2.82Å; K145-M148 PolarHBondContact O-N 3.46Å; K145-E149 WeakPolarHBondContact O-CB 3.41Å; K145-E149 PolarHBondContact O-N 3.36Å
146K96.9Very high97Very high80 Ų8072.3 Ų72.335%0.34832%0.322SS..Hα-helixtrans-63.5-40.7176.3-76.3-131.5-178.9177.70113.3Q142 I143 E149 I150 A179 I183Q142-K146 PolarHBondContact O-N 3.43Å; I143-K146 PolarHBondContact O-N 3.23Å; K146-E149 PolarHBondContact O-N 2.81Å; K146-I150 WeakPolarHBondContact O-CG1 3.36Å; K146-I150 PolarHBondContact O-N 3.25Å; K146-A179 HydrophobicContact CD-CB 4.44Å; K146-A179 PolarHBondContact NZ-O 3.32Å; K146-I183 HydrophobicContact CD-CD1 4.48Å; K146-I183 HydrophobicContact CG-CD1 4.38Å
147M97.5Very high96.8Very high0 Ų070 Ų700%032%0.318CS..Hα-helixtrans-57-49.8174.3-76.8176.6162.300111.2I100 A102 I143 R144 M151 I176 L186 V189I100-M147 HydrophobicContact CG2-CE 4.46Å; I100-M147 HydrophobicContact CG2-SD 4.13Å; A102-M147 HydrophobicContact CB-CB 3.83Å; A102-M147 HydrophobicContact CB-SD 4Å; I143-M147 HydrophobicContact CG2-CE 3.99Å; I143-M147 HydrophobicContact CG2-CG 4.37Å; I143-M147 HydrophobicContact CG2-SD 4.11Å; I143-M147 WeakPolarHBondContact O-CG 3.48Å; I143-M147 PolarHBondContact O-N 2.82Å; R144-M147 PolarHBondContact O-N 2.73Å; M147-M151 HydrophobicContact CB-CE 4.38Å; M147-M151 WeakPolarHBondContact O-CB 3.23Å; M147-M151 WeakPolarHBondContact O-CE 3.45Å; M147-M151 VanDerWaalsContact O-CG 3.3Å; M147-M151 WeakPolarHBondContact O-CG 3.46Å; M147-M151 PolarHBondContact O-N 2.72Å; M147-I176 HydrophobicContact CB-CD1 4.49Å; M147-I176 HydrophobicContact CE-CG2 3.88Å; M147-I176 HydrophobicContact CG-CD1 4.36Å; M147-I176 HydrophobicContact CG-CG2 3.53Å; M147-L186 HydrophobicContact CE-CD1 4.14Å; M147-V189 HydrophobicContact CE-CG1 4.44Å
148M97.7Very high96.8Very high69 Ų6964.6 Ų64.634%0.3429%0.293SS..Hα-helixtrans-64-43.3179.7-66.9168.6-167.200111.8A102 R144 K145 T152A102-M148 HydrophobicContact CB-CE 4.03Å; A102-M148 HydrophobicContact CB-CG 4.21Å; R144-M148 HydrophobicContact CB-CE 4.31Å; R144-M148 VanDerWaalsContact O-CG 3.3Å; R144-M148 WeakPolarHBondContact O-CG 3.43Å; R144-M148 PolarHBondContact O-N 3Å; K145-M148 PolarHBondContact O-N 3.46Å; M148-T152 VanDerWaalsContact O-CB 3.29Å; M148-T152 WeakPolarHBondContact O-CB 3.31Å; M148-T152 PolarHBondContact O-N 3.33Å; M148-T152 PolarHBondContact O-OG1 3.45Å
149E97.3Very high96.6Very high117 Ų11761.8 Ų61.855%0.54728%0.282SS..Hα-helixtrans-60.5-48.5179.4-174.9-178.1167.500112.1K145 K146 T152 R153K145-E149 WeakPolarHBondContact O-CB 3.41Å; K145-E149 PolarHBondContact O-N 3.36Å; K146-E149 PolarHBondContact O-N 2.81Å; E149-T152 PolarHBondContact O-N 3.45Å; E149-R153 WeakPolarHBondContact O-CB 3.38Å; E149-R153 PolarHBondContact O-N 3.4Å
150I96.7Very high96.4Very high12 Ų1259.5 Ų59.56%0.06227%0.271CS..Hα-helixtrans-64.9-49179.4-66.3167.5000110.4K146 T152 R153 E154 D175 I176 A179K146-I150 WeakPolarHBondContact O-CG1 3.36Å; K146-I150 PolarHBondContact O-N 3.25Å; I150-T152 PolarHBondContact O-N 3.43Å; I150-R153 PolarHBondContact O-N 3.31Å; I150-E154 HydrophobicContact CG2-CG 4.15Å; I150-E154 VanDerWaalsContact O-CG 3.32Å; I150-E154 WeakPolarHBondContact O-CG 3.3Å; I150-E154 PolarHBondContact O-N 2.82Å; I150-D175 HydrophobicContact CG2-CB 4.32Å; I150-I176 HydrophobicContact CB-CG1 4.07Å; I150-I176 HydrophobicContact CD1-CG1 4.02Å; I150-I176 HydrophobicContact CG2-CG1 3.94Å; I150-A179 HydrophobicContact CD1-CB 3.53Å
151M96.6Very high96.2Very high0 Ų062.4 Ų62.40%028%0.283CS..Hα-helixtrans-57.8-39.1177.1-72.3-173.5-67.900112.2A102 V104 L116 C118 M147 V155 I172 I176A102-M151 HydrophobicContact CB-CE 4.17Å; V104-M151 HydrophobicContact CB-CE 4.37Å; V104-M151 HydrophobicContact CG1-CB 3.72Å; V104-M151 HydrophobicContact CG1-CE 3.83Å; V104-M151 HydrophobicContact CG1-SD 4.12Å; L116-M151 HydrophobicContact CB-SD 3.99Å; C118-M151 HydrophobicContact CB-CE 3.96Å; C118-M151 HydrophobicContact CB-SD 3.62Å; M147-M151 HydrophobicContact CB-CE 4.38Å; M147-M151 WeakPolarHBondContact O-CB 3.23Å; M147-M151 WeakPolarHBondContact O-CE 3.45Å; M147-M151 VanDerWaalsContact O-CG 3.3Å; M147-M151 WeakPolarHBondContact O-CG 3.46Å; M147-M151 PolarHBondContact O-N 2.72Å; M151-V155 WeakPolarHBondContact O-CB 3.31Å; M151-V155 VanDerWaalsContact O-CG2 3.28Å; M151-V155 WeakPolarHBondContact O-CG2 3.25Å; M151-V155 PolarHBondContact O-N 3.45Å; M151-I172 HydrophobicContact CG-CG2 4Å; M151-I176 HydrophobicContact CG-CD1 4.14Å
152T96.9Very high96Very high32 Ų3259.6 Ų59.620%0.19628%0.276CS..Hα-helixtrans-65.5-49.4178.6-56.80000110.9V106 M148 E149 I150 E154 V155 Q156V106-T152 HydrophobicContact CG2-CG2 4.44Å; M148-T152 VanDerWaalsContact O-CB 3.29Å; M148-T152 WeakPolarHBondContact O-CB 3.31Å; M148-T152 PolarHBondContact O-N 3.33Å; M148-T152 PolarHBondContact O-OG1 3.45Å; E149-T152 PolarHBondContact O-N 3.45Å; I150-T152 PolarHBondContact O-N 3.43Å; T152-E154 PolarHBondContact O-N 3.05Å; T152-V155 PolarHBondContact O-N 3.38Å; T152-Q156 HydrophobicContact CG2-CG 3.9Å; T152-Q156 VanDerWaalsContact CG2-NE2 3.26Å; T152-Q156 WeakPolarHBondContact O-CB 3.33Å; T152-Q156 VanDerWaalsContact O-CG 3.28Å; T152-Q156 WeakPolarHBondContact O-CG 3.29Å; T152-Q156 PolarHBondContact O-N 3.01Å
153R96.1Very high95.9Very high133 Ų13355.4 Ų55.450%0.50226%0.256SS..Hα-helixtrans-59.9-45.4-179.7-174.6-173.869.7-1672.2112.4E149 I150 V155 T157E149-R153 WeakPolarHBondContact O-CB 3.38Å; E149-R153 PolarHBondContact O-N 3.4Å; I150-R153 PolarHBondContact O-N 3.31Å; R153-V155 VanDerWaalsContact C-N 3.29Å; R153-V155 PolarHBondContact O-N 2.94Å; R153-T157 PolarHBondContact O-OG1 3.18Å
154E94.6Very high95.8Very high27 Ų2755.4 Ų55.413%0.12626%0.256CS..Hα-helixtrans-72.2-18.2-176.7-64.2-53.2138.500114I150 T152 N158 K166 I172I150-E154 HydrophobicContact CG2-CG 4.15Å; I150-E154 VanDerWaalsContact O-CG 3.32Å; I150-E154 WeakPolarHBondContact O-CG 3.3Å; I150-E154 PolarHBondContact O-N 2.82Å; T152-E154 PolarHBondContact O-N 3.05Å; E154-N158 PolarHBondContact O-OD1 3.38Å; E154-K166 PolarHBondContact O-NZ 2.98Å; E154-K166 IonicContact OE2-NZ 2.69Å; E154-K166 PolarHBondContact OE2-NZ 3.29Å; E154-I172 HydrophobicContact CB-CD1 4.27Å; E154-I172 HydrophobicContact CB-CG1 4.23Å; E154-I172 HydrophobicContact CG-CG1 4.36Å
155V95.4Very high95.6Very high0 Ų054 Ų540%026%0.257CS..Hα-helixtrans-105.6-35.1-178.9177.90000112.1V106 T108 L114 L116 M151 T152 R153 T157 V163V106-V155 HydrophobicContact CB-CB 4.2Å; V106-V155 HydrophobicContact CB-CG1 3.9Å; V106-V155 HydrophobicContact CG1-CB 3.76Å; V106-V155 HydrophobicContact CG1-CG1 3.64Å; T108-V155 HydrophobicContact CG2-CG1 3.76Å; L114-V155 HydrophobicContact CD1-CG1 4.2Å; L116-V155 HydrophobicContact CD1-CG1 4.41Å; L116-V155 HydrophobicContact CD1-CG2 4.03Å; L116-V155 HydrophobicContact CD2-CG2 3.85Å; M151-V155 WeakPolarHBondContact O-CB 3.31Å; M151-V155 VanDerWaalsContact O-CG2 3.28Å; M151-V155 WeakPolarHBondContact O-CG2 3.25Å; M151-V155 PolarHBondContact O-N 3.45Å; T152-V155 PolarHBondContact O-N 3.38Å; R153-V155 VanDerWaalsContact C-N 3.29Å; R153-V155 PolarHBondContact O-N 2.94Å; V155-T157 VanDerWaalsContact C-N 3.3Å; V155-T157 PolarHBondContact O-N 3.25Å; V155-V163 HydrophobicContact CB-CG2 4.43Å; V155-V163 HydrophobicContact CG1-CG2 4.21Å; V155-V163 HydrophobicContact CG2-CG1 4.35Å; V155-V163 HydrophobicContact CG2-CG2 4.37Å
156Q95.4Very high95.5Very high111 Ų11148.7 Ų48.752%0.51923%0.233SC..Hα-helixtrans-67.7-29.5-179.4-75.9-175.2-18.500113.6V106 T109 T152V106-Q156 HydrophobicContact CG1-CB 4.32Å; V106-Q156 HydrophobicContact CG1-CG 3.31Å; T109-Q156 WeakPolarHBondContact CG2-O 3.13Å; T152-Q156 HydrophobicContact CG2-CG 3.9Å; T152-Q156 VanDerWaalsContact CG2-NE2 3.26Å; T152-Q156 WeakPolarHBondContact O-CB 3.33Å; T152-Q156 VanDerWaalsContact O-CG 3.28Å; T152-Q156 WeakPolarHBondContact O-CG 3.29Å; T152-Q156 PolarHBondContact O-N 3.01Å
157T95.2Very high95.4Very high95 Ų9545 Ų4558%0.58322%0.217SC*.THydrogen-bonded Turntrans-89-10.7-174.753.10000113.3R153 V155R153-T157 PolarHBondContact O-OG1 3.18Å; V155-T157 VanDerWaalsContact C-N 3.3Å; V155-T157 PolarHBondContact O-N 3.25Å
158N95.6Very high95.1Very high22 Ų2245.5 Ų45.512%0.11822%0.22CC..SBendtrans-121.3157.6-169.7-61.3107.1000111.5T108 T109 E154 E162 V163 K166T108-N158 WeakPolarHBondContact CB-O 3.18Å; T109-N158 PolarHBondContact N-O 3.27Å; T109-N158 PolarHBondContact OG1-O 3.08Å; E154-N158 PolarHBondContact O-OD1 3.38Å; N158-E162 HydrophobicContact CB-CB 3.93Å; N158-E162 PolarHBondContact ND2-OE2 3.4Å; N158-V163 HydrophobicContact CB-CG2 3.97Å; N158-K166 PolarHBondContact OD1-NZ 3.25Å
159D94.6Very high94.9Very high46 Ų4644.5 Ų44.525%0.24622%0.219CC..  trans-82.8175.1171.870.4-8.5000111.1T109 K161 E162 V163T109-D159 WeakPolarHBondContact OG1-CA 3.32Å; T109-D159 PolarHBondContact OG1-N 3.49Å; D159-K161 PolarHBondContact O-N 3.43Å; D159-K161 PolarHBondContact OD1-N 3.33Å; D159-E162 PolarHBondContact O-N 3.18Å; D159-E162 VanDerWaalsContact OD1-CB 3.22Å; D159-E162 WeakPolarHBondContact OD1-CB 3.34Å; D159-E162 VanDerWaalsContact OD1-CG 3.23Å; D159-E162 WeakPolarHBondContact OD1-CG 3.36Å; D159-E162 PolarHBondContact OD1-N 2.93Å; D159-V163 WeakPolarHBondContact O-CB 3.27Å; D159-V163 WeakPolarHBondContact O-CG2 3.11Å; D159-V163 PolarHBondContact O-N 3.4Å
160L93.3Very high94.7Very high2 Ų239.1 Ų39.11%0.0119%0.194CC..Hα-helixtrans-61.5-33.3-179.2-167.965000112.4F79 D110 Y112 L114 V164F79-L160 HydrophobicContact CB-CD2 4.35Å; F79-L160 HydrophobicContact CD1-CD1 3.89Å; F79-L160 HydrophobicContact CD1-CD2 4.41Å; F79-L160 HydrophobicContact CD1-CG 4.35Å; F79-L160 HydrophobicContact CE1-CD1 4.37Å; D110-L160 VanDerWaalsContact OD2-CB 3.3Å; D110-L160 WeakPolarHBondContact OD2-CB 2.94Å; D110-L160 PolarHBondContact OD2-N 3.33Å; Y112-L160 HydrophobicContact CD1-CD2 4.13Å; Y112-L160 HydrophobicContact CD2-CB 4.01Å; Y112-L160 HydrophobicContact CD2-CD2 3.99Å; Y112-L160 HydrophobicContact CD2-CG 4.46Å; Y112-L160 HydrophobicContact CE1-CD2 3.96Å; Y112-L160 HydrophobicContact CE2-CB 4.2Å; Y112-L160 HydrophobicContact CE2-CD2 3.85Å; Y112-L160 HydrophobicContact CG-CD2 4.13Å; L114-L160 HydrophobicContact CD1-CD1 4.02Å; L114-L160 HydrophobicContact CD2-CD1 4.47Å; L160-V164 VanDerWaalsContact O-CG2 3.3Å; L160-V164 WeakPolarHBondContact O-CG2 3.33Å; L160-V164 PolarHBondContact O-N 2.85Å
161K92.9Very high94.6Very high74 Ų7440.2 Ų40.232%0.32220%0.202SC..Hα-helixtrans-64.3-52-179-176-179.5178.8176.20111.3M17 D159 V164 N165 L210M17-K161 HydrophobicContact CG-CG 4Å; M17-K161 HydrophobicContact SD-CB 4.33Å; M17-K161 HydrophobicContact SD-CG 4.16Å; D159-K161 PolarHBondContact O-N 3.43Å; D159-K161 PolarHBondContact OD1-N 3.33Å; K161-V164 PolarHBondContact O-N 2.82Å; K161-N165 PolarHBondContact O-N 2.69Å; K161-N165 PolarHBondContact O-ND2 3.32Å; K161-L210 HydrophobicContact CB-CD2 4.06Å; K161-L210 HydrophobicContact CD-CD2 4.4Å; K161-L210 HydrophobicContact CG-CD2 4.32Å
162E94.1Very high94.6Very high91 Ų9140.3 Ų40.343%0.42520%0.203SC..Hα-helixtrans-67.1-36.7178.5-71.4177.7164.600112N158 D159 V164 N165 K166N158-E162 HydrophobicContact CB-CB 3.93Å; N158-E162 PolarHBondContact ND2-OE2 3.4Å; D159-E162 PolarHBondContact O-N 3.18Å; D159-E162 VanDerWaalsContact OD1-CB 3.22Å; D159-E162 WeakPolarHBondContact OD1-CB 3.34Å; D159-E162 VanDerWaalsContact OD1-CG 3.23Å; D159-E162 WeakPolarHBondContact OD1-CG 3.36Å; D159-E162 PolarHBondContact OD1-N 2.93Å; E162-V164 PolarHBondContact O-N 2.87Å; E162-N165 PolarHBondContact O-N 2.64Å; E162-K166 WeakPolarHBondContact O-CG 3.37Å; E162-K166 PolarHBondContact O-N 3.3Å
163V95Very high94.5Very high0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-60.7-44.9175.11700000111T108 L114 V155 N158 D159 K166 L167T108-V163 HydrophobicContact CG2-CG2 4.22Å; L114-V163 HydrophobicContact CD1-CG1 4.2Å; V155-V163 HydrophobicContact CB-CG2 4.43Å; V155-V163 HydrophobicContact CG1-CG2 4.21Å; V155-V163 HydrophobicContact CG2-CG1 4.35Å; V155-V163 HydrophobicContact CG2-CG2 4.37Å; N158-V163 HydrophobicContact CB-CG2 3.97Å; D159-V163 WeakPolarHBondContact O-CB 3.27Å; D159-V163 WeakPolarHBondContact O-CG2 3.11Å; D159-V163 PolarHBondContact O-N 3.4Å; V163-K166 PolarHBondContact O-N 3.32Å; V163-L167 HydrophobicContact CG1-CD1 4.17Å; V163-L167 WeakPolarHBondContact O-CG 3.42Å; V163-L167 PolarHBondContact O-N 3.42Å; V163-L167 VanDerWaalsContact O-N 3.09Å
164V94.3Very high94.5Very high0 Ų038.6 Ų38.60%020%0.196CC..Hα-helixtrans-64.7-41.1176.8172.10000111.1M17 F18 F63 F79 L160 K161 E162 K166 L167 I168M17-V164 HydrophobicContact CB-CG1 4.32Å; M17-V164 HydrophobicContact CE-CB 4.47Å; M17-V164 HydrophobicContact CE-CG1 4.32Å; M17-V164 HydrophobicContact CE-CG2 4.47Å; M17-V164 HydrophobicContact SD-CB 3.54Å; M17-V164 VanDerWaalsContact SD-CB 3.54Å; M17-V164 HydrophobicContact SD-CG1 3.68Å; M17-V164 HydrophobicContact SD-CG2 4.03Å; F18-V164 HydrophobicContact CZ-CG1 4.14Å; F63-V164 HydrophobicContact CE1-CG1 4.31Å; F79-V164 HydrophobicContact CB-CG2 4.02Å; F79-V164 HydrophobicContact CD1-CG2 3.96Å; F79-V164 HydrophobicContact CD2-CG2 3.74Å; F79-V164 HydrophobicContact CE1-CG2 4.33Å; F79-V164 HydrophobicContact CE2-CG2 4.14Å; F79-V164 HydrophobicContact CG-CG2 3.62Å; F79-V164 HydrophobicContact CZ-CG2 4.41Å; L160-V164 VanDerWaalsContact O-CG2 3.3Å; L160-V164 WeakPolarHBondContact O-CG2 3.33Å; L160-V164 PolarHBondContact O-N 2.85Å; K161-V164 PolarHBondContact O-N 2.82Å; E162-V164 PolarHBondContact O-N 2.87Å; V164-K166 PolarHBondContact O-N 3.47Å; V164-L167 WeakPolarHBondContact O-CA 3.44Å; V164-L167 WeakPolarHBondContact O-CB 3.36Å; V164-L167 PolarHBondContact O-N 3.18Å; V164-I168 HydrophobicContact CG1-CD1 4.41Å; V164-I168 HydrophobicContact CG1-CG1 4.5Å; V164-I168 WeakPolarHBondContact O-CG1 3.49Å; V164-I168 PolarHBondContact O-N 3.33Å
165N94.5Very high94.6Very high71 Ų7140.2 Ų40.238%0.3821%0.206SC..Hα-helixtrans-61-30.6175.9-72.9-20.7000113K161 E162 P169K161-N165 PolarHBondContact O-N 2.69Å; K161-N165 PolarHBondContact O-ND2 3.32Å; E162-N165 PolarHBondContact O-N 2.64Å; N165-P169 WeakPolarHBondContact O-CD 3.32Å
166K95.2Very high94.7Very high41 Ų4140.2 Ų40.218%0.17821%0.206CC..Hα-helixtrans-74.2-31.7171.2-70.5179.2-175.2-177.10112.9E154 N158 E162 V163 V164 D170 S171 I172E154-K166 PolarHBondContact O-NZ 2.98Å; E154-K166 IonicContact OE2-NZ 2.69Å; E154-K166 PolarHBondContact OE2-NZ 3.29Å; N158-K166 PolarHBondContact OD1-NZ 3.25Å; E162-K166 WeakPolarHBondContact O-CG 3.37Å; E162-K166 PolarHBondContact O-N 3.3Å; V163-K166 PolarHBondContact O-N 3.32Å; V164-K166 PolarHBondContact O-N 3.47Å; K166-D170 WeakPolarHBondContact O-CA 3.42Å; K166-D170 PolarHBondContact O-N 2.81Å; K166-D170 VanDerWaalsContact O-N 3.08Å; K166-S171 WeakPolarHBondContact CB-OG 3.43Å; K166-S171 PolarHBondContact O-N 2.86Å; K166-S171 VanDerWaalsContact O-N 3.07Å; K166-S171 PolarHBondContact O-OG 3.33Å; K166-I172 HydrophobicContact CB-CG1 4.41Å
167L94.4Very high94.7Very high1 Ų137.9 Ų37.91%0.00520%0.195CC..Hα-helixtrans-75.3-28.5179.2-69.3171.9000113.5R61 F79 M82 V163 V164 D170 I172 V191 V194R61-L167 PolarHBondContact NH1-O 2.93Å; F79-L167 HydrophobicContact CZ-CD1 4.3Å; M82-L167 HydrophobicContact CE-CD2 4.41Å; M82-L167 HydrophobicContact SD-CB 4.19Å; M82-L167 HydrophobicContact SD-CD1 4.48Å; M82-L167 HydrophobicContact SD-CD2 4.29Å; V163-L167 HydrophobicContact CG1-CD1 4.17Å; V163-L167 WeakPolarHBondContact O-CG 3.42Å; V163-L167 PolarHBondContact O-N 3.42Å; V163-L167 VanDerWaalsContact O-N 3.09Å; V164-L167 WeakPolarHBondContact O-CA 3.44Å; V164-L167 WeakPolarHBondContact O-CB 3.36Å; V164-L167 PolarHBondContact O-N 3.18Å; L167-D170 PolarHBondContact O-N 3.47Å; L167-I172 HydrophobicContact CD2-CD1 4.28Å; L167-V191 HydrophobicContact CD2-CB 4.15Å; L167-V191 HydrophobicContact CD2-CG1 4.02Å; L167-V191 HydrophobicContact CD2-CG2 4.16Å; L167-V194 HydrophobicContact CD1-CG2 3.99Å; L167-V194 HydrophobicContact CD2-CG2 4.22Å
168I92.3Very high94.8Very high11 Ų1141.4 Ų41.46%0.05620%0.202CC..THydrogen-bonded Turntrans-57.3-58.9178.6-69167.3000111M17 F18 L50 E57 R61 F63 V164 D170M17-I168 WeakPolarHBondContact O-CD1 3.19Å; F18-I168 HydrophobicContact CD1-CD1 4.15Å; F18-I168 HydrophobicContact CE1-CD1 4.04Å; F18-I168 HydrophobicContact CE1-CG1 4.18Å; L50-I168 HydrophobicContact CD1-CG1 4.3Å; L50-I168 HydrophobicContact CD1-CG2 4.16Å; L50-I168 HydrophobicContact CD2-CG2 4.41Å; E57-I168 HydrophobicContact CG-CG2 4.33Å; R61-I168 PolarHBondContact NH1-O 3.33Å; F63-I168 HydrophobicContact CZ-CG1 4.43Å; V164-I168 HydrophobicContact CG1-CD1 4.41Å; V164-I168 HydrophobicContact CG1-CG1 4.5Å; V164-I168 WeakPolarHBondContact O-CG1 3.49Å; V164-I168 PolarHBondContact O-N 3.33Å; I168-D170 VanDerWaalsContact C-N 3.34Å
169P92.9Very high94.8Very high49 Ų4941.7 Ų41.732%0.31821%0.208SC..THydrogen-bonded Turntrans-85.6-5.8174.436.3-37000113.5N165 K174N165-P169 WeakPolarHBondContact O-CD 3.32Å; P169-K174 PolarHBondContact O-NZ 3.46Å
170D93Very high94.9Very high4 Ų439.5 Ų39.52%0.02120%0.196CC..THydrogen-bonded Turntrans52.660-174.9-169.214.8000113.1R61 K166 L167 I168 I172 G173 K174 Y190R61-D170 IonicContact CZ-OD2 2.75Å; R61-D170 VanDerWaalsContact NH1-CB 3.26Å; R61-D170 VanDerWaalsContact NH2-CG 3.32Å; R61-D170 IonicContact NH2-OD2 3.97Å; R61-D170 PolarHBondContact NH2-OD2 3.05Å; K166-D170 WeakPolarHBondContact O-CA 3.42Å; K166-D170 PolarHBondContact O-N 2.81Å; K166-D170 VanDerWaalsContact O-N 3.08Å; L167-D170 PolarHBondContact O-N 3.47Å; I168-D170 VanDerWaalsContact C-N 3.34Å; D170-I172 PolarHBondContact O-N 3.4Å; D170-G173 PolarHBondContact O-N 2.97Å; D170-G173 PolarHBondContact OD1-N 3.45Å; D170-K174 PolarHBondContact O-N 3.31Å; D170-Y190 WeakPolarHBondContact OD2-CD1 3.32Å
171S95.4Very high95Very high35 Ų3544.2 Ų44.225%0.24522%0.218CC..Hα-helixtrans-60.4-35.3172.156.10000111.5K166 G173 K174 D175K166-S171 WeakPolarHBondContact CB-OG 3.43Å; K166-S171 PolarHBondContact O-N 2.86Å; K166-S171 VanDerWaalsContact O-N 3.07Å; K166-S171 PolarHBondContact O-OG 3.33Å; S171-G173 PolarHBondContact O-N 2.76Å; S171-K174 PolarHBondContact O-N 3.44Å; S171-D175 WeakPolarHBondContact O-CB 3.45Å; S171-D175 PolarHBondContact O-N 2.81Å
172I95.6Very high95.1Very high1 Ų146.2 Ų46.21%0.00524%0.241CC..Hα-helixtrans-59.4-48179.3-54.7178.1000110.8M151 E154 K166 L167 D170 K174 D175 I176 V191M151-I172 HydrophobicContact CG-CG2 4Å; E154-I172 HydrophobicContact CB-CD1 4.27Å; E154-I172 HydrophobicContact CB-CG1 4.23Å; E154-I172 HydrophobicContact CG-CG1 4.36Å; K166-I172 HydrophobicContact CB-CG1 4.41Å; L167-I172 HydrophobicContact CD2-CD1 4.28Å; D170-I172 PolarHBondContact O-N 3.4Å; I172-K174 VanDerWaalsContact C-N 3.35Å; I172-K174 PolarHBondContact O-N 3.19Å; I172-D175 PolarHBondContact O-N 2.68Å; I172-I176 HydrophobicContact CG2-CD1 4.04Å; I172-I176 VanDerWaalsContact O-CG1 3.25Å; I172-I176 WeakPolarHBondContact O-CG1 3.43Å; I172-I176 PolarHBondContact O-N 2.91Å; I172-V191 HydrophobicContact CB-CG2 4.12Å; I172-V191 HydrophobicContact CG2-CG2 4.11Å
173G95.1Very high95.2Very high1 Ų143.5 Ų43.51%0.0123%0.23CC..Hα-helixtrans-59.9-42.8176.600000112.9D170 S171 I176 E177 V189D170-G173 PolarHBondContact O-N 2.97Å; D170-G173 PolarHBondContact OD1-N 3.45Å; S171-G173 PolarHBondContact O-N 2.76Å; G173-I176 PolarHBondContact O-N 3.16Å; G173-E177 PolarHBondContact O-N 3.44Å; G173-V189 WeakPolarHBondContact O-CG1 3.46Å
174K96.1Very high95.2Very high128 Ų12845.1 Ų45.156%0.55724%0.236SC*.Hα-helixtrans-66.3-39.8178.7-66.8173.1-176.9165.70112.5P169 D170 S171 I172 E177 K178P169-K174 PolarHBondContact O-NZ 3.46Å; D170-K174 PolarHBondContact O-N 3.31Å; S171-K174 PolarHBondContact O-N 3.44Å; I172-K174 VanDerWaalsContact C-N 3.35Å; I172-K174 PolarHBondContact O-N 3.19Å; K174-E177 PolarHBondContact O-N 2.81Å; K174-K178 PolarHBondContact O-N 2.82Å
175D96.3Very high95.4Very high61 Ų6145.7 Ų45.733%0.32624%0.239SC..Hα-helixtrans-67.8-38.1177.6-74.1-19.2000111.7I150 S171 I172 K178 A179I150-D175 HydrophobicContact CG2-CB 4.32Å; S171-D175 WeakPolarHBondContact O-CB 3.45Å; S171-D175 PolarHBondContact O-N 2.81Å; I172-D175 PolarHBondContact O-N 2.68Å; D175-K178 PolarHBondContact O-N 2.88Å; D175-A179 VanDerWaalsContact O-CB 3.25Å; D175-A179 WeakPolarHBondContact O-CB 3.36Å; D175-A179 PolarHBondContact O-N 2.78Å
176I96.6Very high95.5Very high0 Ų042.3 Ų42.30%022%0.221CC..Hα-helixtrans-61.8-46172.4-69.3169.4000110.7M147 I150 M151 I172 G173 K178 A179 C180 V189M147-I176 HydrophobicContact CB-CD1 4.49Å; M147-I176 HydrophobicContact CE-CG2 3.88Å; M147-I176 HydrophobicContact CG-CD1 4.36Å; M147-I176 HydrophobicContact CG-CG2 3.53Å; I150-I176 HydrophobicContact CB-CG1 4.07Å; I150-I176 HydrophobicContact CD1-CG1 4.02Å; I150-I176 HydrophobicContact CG2-CG1 3.94Å; M151-I176 HydrophobicContact CG-CD1 4.14Å; I172-I176 HydrophobicContact CG2-CD1 4.04Å; I172-I176 VanDerWaalsContact O-CG1 3.25Å; I172-I176 WeakPolarHBondContact O-CG1 3.43Å; I172-I176 PolarHBondContact O-N 2.91Å; G173-I176 PolarHBondContact O-N 3.16Å; I176-K178 PolarHBondContact O-N 2.85Å; I176-A179 PolarHBondContact O-N 3.1Å; I176-C180 VanDerWaalsContact O-CB 3.27Å; I176-C180 WeakPolarHBondContact O-CB 3.39Å; I176-C180 PolarHBondContact O-N 2.88Å; I176-C180 PolarHBondContact O-SG 2.7Å; I176-V189 HydrophobicContact CB-CG1 3.95Å; I176-V189 HydrophobicContact CG2-CG1 3.66Å
177E96.1Very high95.5Very high62 Ų6242.3 Ų42.329%0.2922%0.222SC..Hα-helixtrans-57.7-49.7178-173.3178.8173.700111G173 K174 A179 C180 Q181 V189G173-E177 PolarHBondContact O-N 3.44Å; K174-E177 PolarHBondContact O-N 2.81Å; E177-A179 PolarHBondContact O-N 3.49Å; E177-C180 PolarHBondContact O-N 3.39Å; E177-Q181 PolarHBondContact O-N 2.92Å; E177-Q181 VanDerWaalsContact O-N 3.17Å; E177-V189 HydrophobicContact CB-CB 4.34Å; E177-V189 HydrophobicContact CB-CG2 4.06Å; E177-V189 HydrophobicContact CG-CG2 4.37Å
178K96.8Very high95.6Very high169 Ų16944.2 Ų44.274%0.73523%0.232SC*.Hα-helixtrans-61.5-45.4178.4-177.8-179.7-84.1176.70112.1K174 D175 I176 C180 Q181K174-K178 PolarHBondContact O-N 2.82Å; D175-K178 PolarHBondContact O-N 2.88Å; I176-K178 PolarHBondContact O-N 2.85Å; K178-C180 VanDerWaalsContact C-N 3.34Å; K178-C180 PolarHBondContact O-N 3.33Å; K178-Q181 WeakPolarHBondContact O-CB 3.35Å; K178-Q181 PolarHBondContact O-N 3.38Å
179A96.4Very high95.8Very high29 Ų2944 Ų4424%0.2423%0.232CC..Hα-helixtrans-72-25.8-176.700000114K146 I150 D175 I176 E177K146-A179 HydrophobicContact CD-CB 4.44Å; K146-A179 PolarHBondContact NZ-O 3.32Å; I150-A179 HydrophobicContact CD1-CB 3.53Å; D175-A179 VanDerWaalsContact O-CB 3.25Å; D175-A179 WeakPolarHBondContact O-CB 3.36Å; D175-A179 PolarHBondContact O-N 2.78Å; I176-A179 PolarHBondContact O-N 3.1Å; E177-A179 PolarHBondContact O-N 3.49Å
180C96.3Very high96Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-88.7-15.5179.1-65.50000113.3I143 I176 E177 K178 S182 I183 Y184 L186I143-C180 HydrophobicContact CG1-CB 4.44Å; I176-C180 VanDerWaalsContact O-CB 3.27Å; I176-C180 WeakPolarHBondContact O-CB 3.39Å; I176-C180 PolarHBondContact O-N 2.88Å; I176-C180 PolarHBondContact O-SG 2.7Å; E177-C180 PolarHBondContact O-N 3.39Å; K178-C180 VanDerWaalsContact C-N 3.34Å; K178-C180 PolarHBondContact O-N 3.33Å; C180-S182 PolarHBondContact O-N 2.88Å; C180-S182 VanDerWaalsContact O-N 3.07Å; C180-I183 PolarHBondContact O-N 3.44Å; C180-Y184 PolarHBondContact O-N 2.93Å; C180-Y184 VanDerWaalsContact O-N 3.1Å; C180-L186 HydrophobicContact CB-CD1 3.59Å; C180-L186 HydrophobicContact CB-CG 4.17Å
181Q94.9Very high96.2Very high100 Ų10043.4 Ų43.447%0.46722%0.223SC..THydrogen-bonded Turntrans-52.5-33.7-178.8-169.567.44.400113.6E177 K178 I183E177-Q181 PolarHBondContact O-N 2.92Å; E177-Q181 VanDerWaalsContact O-N 3.17Å; K178-Q181 WeakPolarHBondContact O-CB 3.35Å; K178-Q181 PolarHBondContact O-N 3.38Å; Q181-I183 VanDerWaalsContact C-N 3.32Å; Q181-I183 PolarHBondContact O-N 3.33Å
182S95.3Very high96.2Very high116 Ų11645.8 Ų45.881%0.81123%0.227SC*.THydrogen-bonded Turntrans-70.1-23.7177.5-1760000114C180C180-S182 PolarHBondContact O-N 2.88Å; C180-S182 VanDerWaalsContact O-N 3.07Å
183I96.1Very high96.3Very high35 Ų3548.6 Ų48.618%0.17924%0.239CC..THydrogen-bonded Turntrans-92.3-55.4-179.4-57.1165.2000109.2Q139 Q142 I143 K146 C180 Q181Q139-I183 HydrophobicContact CB-CG2 3.94Å; Q139-I183 HydrophobicContact CG-CG2 4.14Å; Q142-I183 HydrophobicContact CB-CD1 4Å; Q142-I183 HydrophobicContact CB-CG2 4.49Å; I143-I183 HydrophobicContact CD1-CG2 4.17Å; I143-I183 HydrophobicContact CG1-CB 4.16Å; I143-I183 HydrophobicContact CG1-CD1 4.14Å; I143-I183 HydrophobicContact CG1-CG2 3.95Å; K146-I183 HydrophobicContact CD-CD1 4.48Å; K146-I183 HydrophobicContact CG-CD1 4.38Å; C180-I183 PolarHBondContact O-N 3.44Å; Q181-I183 VanDerWaalsContact C-N 3.32Å; Q181-I183 PolarHBondContact O-N 3.33Å
184Y96.5Very high96.4Very high34 Ų3448.7 Ų48.713%0.13324%0.239CC..SBendtrans-156.5135.5176-156.7-77.8000108.2T122 S133 A135 C180 L186T122-Y184 HydrophobicContact CG2-CD1 3.63Å; T122-Y184 HydrophobicContact CG2-CE1 3.69Å; T122-Y184 HydrophobicContact CG2-CG 4.36Å; S133-Y184 VanDerWaalsContact C-OH 3.26Å; S133-Y184 WeakPolarHBondContact CA-OH 3.43Å; A135-Y184 HydrophobicContact CB-CD2 4.01Å; A135-Y184 HydrophobicContact CB-CE2 4.26Å; A135-Y184 HydrophobicContact CB-CG 4.26Å; C180-Y184 PolarHBondContact O-N 2.93Å; C180-Y184 VanDerWaalsContact O-N 3.1Å; Y184-L186 PolarHBondContact O-N 2.75Å
185P96.7Very high96.5Very high11 Ų1146.9 Ų46.97%0.07123%0.231CC..  trans-64.4126.9179.227.8-36.5000111K123K123-P185 HydrophobicContact CB-CB 4.2Å; K123-P185 WeakPolarHBondContact CB-O 3.37Å; K123-P185 PolarHBondContact N-O 3.45Å
186L97.2Very high96.5Very high0 Ų045.1 Ų45.10%022%0.221CC..EExtended strand (participates in β ladder)trans-105162.7177.3-59.6-177.5000110.8I100 F121 T122 I143 M147 C180 Y184 V189I100-L186 HydrophobicContact CD1-CD2 4.17Å; F121-L186 CarbonylContact O-C 3.53Å; F121-L186 VanDerWaalsContact O-CA 3.29Å; F121-L186 WeakPolarHBondContact O-CA 3.48Å; T122-L186 HydrophobicContact CG2-CD2 4.35Å; I143-L186 HydrophobicContact CD1-CD2 4.34Å; I143-L186 HydrophobicContact CG2-CD1 3.92Å; M147-L186 HydrophobicContact CE-CD1 4.14Å; C180-L186 HydrophobicContact CB-CD1 3.59Å; C180-L186 HydrophobicContact CB-CG 4.17Å; Y184-L186 PolarHBondContact O-N 2.75Å; L186-V189 HydrophobicContact CB-CG2 3.7Å; L186-V189 HydrophobicContact CD1-CG2 4.1Å
187H95.8Very high96.5Very high41 Ų4148.7 Ų48.719%0.1924%0.24CC..EExtended strand (participates in β ladder)trans-146.8164.6166.170.2-55.9000108.5Q97 F121 T122 K123 V189Q97-H187 PolarHBondContact OE1-CE1 3.36Å; Q97-H187 VanDerWaalsContact OE1-CE1 3.23Å; Q97-H187 PolarHBondContact OE1-NE2 2.79Å; F121-H187 PolarHBondContact N-O 3.02Å; F121-H187 VanDerWaalsContact N-O 3.1Å; F121-H187 PolarHBondContact O-N 2.67Å; F121-H187 PolarHBondContact O-ND1 3.16Å; T122-H187 PolarHBondContact O-CE1 2.74Å; T122-H187 PolarHBondContact O-ND1 3.09Å; K123-H187 WeakPolarHBondContact CA-ND1 3.29Å; K123-H187 HydrophobicContact CB-CB 4.07Å; K123-H187 HydrophobicContact CD-CB 4.22Å; K123-H187 HydrophobicContact CG-CB 4.2Å; H187-V189 VanDerWaalsContact C-N 3.28Å; H187-V189 PolarHBondContact O-N 2.83Å
188D95.6Very high96.4Very high42 Ų4252.6 Ų52.623%0.22526%0.256CS..EExtended strand (participates in β ladder)trans5149.6-179.9-75-45.8000111.7K88 M92 F121 Y190K88-D188 IonicContact NZ-OD1 2.67Å; M92-D188 HydrophobicContact CG-CB 4.21Å; M92-D188 HydrophobicContact SD-CB 3.85Å; F121-D188 HydrophobicContact CD2-CB 4.01Å; D188-Y190 HydrophobicContact CB-CD2 4.47Å; D188-Y190 HydrophobicContact CB-CE2 3.93Å; D188-Y190 PolarHBondContact OD1-OH 2.8Å
189V97.2Very high96.3Very high7 Ų747.4 Ų47.44%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-89.4117.6175.7-1750000108.8V119 M147 G173 I176 E177 L186 H187V119-V189 WeakPolarHBondContact O-CA 3.47Å; M147-V189 HydrophobicContact CE-CG1 4.44Å; G173-V189 WeakPolarHBondContact O-CG1 3.46Å; I176-V189 HydrophobicContact CB-CG1 3.95Å; I176-V189 HydrophobicContact CG2-CG1 3.66Å; E177-V189 HydrophobicContact CB-CB 4.34Å; E177-V189 HydrophobicContact CB-CG2 4.06Å; E177-V189 HydrophobicContact CG-CG2 4.37Å; L186-V189 HydrophobicContact CB-CG2 3.7Å; L186-V189 HydrophobicContact CD1-CG2 4.1Å; H187-V189 VanDerWaalsContact C-N 3.28Å; H187-V189 PolarHBondContact O-N 2.83Å
190Y97Very high96.1Very high39 Ų3948 Ų4815%0.15324%0.235CC..EExtended strand (participates in β ladder)trans-138.3148.5-178.5-62.9-76.7000111.3F60 L84 M92 C118 V119 D170 D188 R192F60-Y190 HydrophobicContact CE2-CD1 4.26Å; F60-Y190 AromaticContact CE2-CE1 3.99Å; F60-Y190 HydrophobicContact CE2-CE1 3.99Å; F60-Y190 HydrophobicContact CZ-CD1 4.48Å; F60-Y190 AromaticContact CZ-CE1 3.78Å; F60-Y190 HydrophobicContact CZ-CE1 3.78Å; L84-Y190 HydrophobicContact CD1-CG 4.47Å; M92-Y190 HydrophobicContact CE-CD2 4.12Å; M92-Y190 HydrophobicContact SD-CD2 3.45Å; M92-Y190 WeakPolarHBondContact SD-CD2 3.29Å; M92-Y190 HydrophobicContact SD-CE2 3.41Å; M92-Y190 WeakPolarHBondContact SD-CE2 3.49Å; C118-Y190 WeakPolarHBondContact CA-O 3.3Å; V119-Y190 PolarHBondContact N-O 3Å; V119-Y190 PolarHBondContact O-N 3.13Å; D170-Y190 WeakPolarHBondContact OD2-CD1 3.32Å; D188-Y190 HydrophobicContact CB-CD2 4.47Å; D188-Y190 HydrophobicContact CB-CE2 3.93Å; D188-Y190 PolarHBondContact OD1-OH 2.8Å; Y190-R192 PolarHBondContact O-N 2.93Å; Y190-R192 VanDerWaalsContact O-N 3.07Å
191V97Very high95.9Very high0 Ų057.1 Ų57.10%028%0.275CS..EExtended strand (participates in β ladder)trans-69.9101.5156.9-1770000107.3M82 L116 F117 L167 I172 V194M82-V191 HydrophobicContact CE-CB 3.99Å; M82-V191 HydrophobicContact CE-CG1 3.75Å; M82-V191 WeakPolarHBondContact CE-O 3.45Å; L116-V191 HydrophobicContact CD2-CG1 4.43Å; F117-V191 CarbonylContact O-C 3.38Å; F117-V191 WeakPolarHBondContact O-CA 3.32Å; L167-V191 HydrophobicContact CD2-CB 4.15Å; L167-V191 HydrophobicContact CD2-CG1 4.02Å; L167-V191 HydrophobicContact CD2-CG2 4.16Å; I172-V191 HydrophobicContact CB-CG2 4.12Å; I172-V191 HydrophobicContact CG2-CG2 4.11Å; V191-V194 HydrophobicContact CG1-CG2 3.65Å
192R96.1Very high95.7Very high86 Ų8657 Ų5733%0.32527%0.273SS..EExtended strand (participates in β ladder)trans-65.1-45-176.8179.6-176168.4145.87111.9L84 M89 E101 F117 V119 Y190L84-R192 HydrophobicContact CD1-CB 4.47Å; L84-R192 HydrophobicContact CD1-CG 4.43Å; L84-R192 PolarHBondContact N-O 2.82Å; L84-R192 VanDerWaalsContact N-O 3.16Å; M89-R192 HydrophobicContact SD-CG 4.16Å; M89-R192 PolarHBondContact SD-NH1 2.65Å; M89-R192 VanDerWaalsContact SD-NH1 3.44Å; E101-R192 IonicContact OE1-NH1 2.65Å; F117-R192 HydrophobicContact CB-CB 4.36Å; F117-R192 PolarHBondContact O-N 3.5Å; V119-R192 HydrophobicContact CG1-CB 4.06Å; Y190-R192 PolarHBondContact O-N 2.93Å; Y190-R192 VanDerWaalsContact O-N 3.07Å
193K97.4Very high95.5Very high59 Ų5956.2 Ų56.226%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-153.5140-171-168.9166-168.6139.30110.8M82 D83 F117 K195M82-K193 CarbonylContact O-C 3.52Å; M82-K193 VanDerWaalsContact O-CA 3.31Å; M82-K193 WeakPolarHBondContact O-CA 3.2Å; M82-K193 WeakPolarHBondContact O-CG 3.14Å; D83-K193 WeakPolarHBondContact OD2-CE 3.49Å; D83-K193 IonicContact OD2-NZ 3.53Å; D83-K193 PolarHBondContact OD2-NZ 3.07Å; F117-K193 HydrophobicContact CB-CB 4.1Å; F117-K193 HydrophobicContact CD2-CB 3.84Å; F117-K193 HydrophobicContact CD2-CG 4.29Å; F117-K193 HydrophobicContact CG-CB 4.26Å; F117-K193 PolarHBondContact N-O 2.88Å; F117-K193 PolarHBondContact O-N 2.72Å; K193-K195 HydrophobicContact CD-CG 4.47Å; K193-K195 HydrophobicContact CG-CG 4.3Å
194V97.9Very high95.1Very high4 Ų458.6 Ų58.62%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-123124.6170.2-179.20000107.8F79 G81 M82 L114 R115 L116 L167 V191F79-V194 HydrophobicContact CE1-CG1 4.12Å; F79-V194 HydrophobicContact CZ-CB 4.32Å; F79-V194 HydrophobicContact CZ-CG1 4.02Å; G81-V194 VanDerWaalsContact CA-O 3.23Å; G81-V194 WeakPolarHBondContact CA-O 3.49Å; M82-V194 HydrophobicContact CB-CB 4.08Å; M82-V194 HydrophobicContact CB-CG2 4.28Å; M82-V194 HydrophobicContact CE-CG2 4.05Å; M82-V194 PolarHBondContact N-O 2.85Å; M82-V194 PolarHBondContact O-N 2.76Å; L114-V194 HydrophobicContact CD2-CG1 3.79Å; R115-V194 WeakPolarHBondContact O-CA 3.36Å; L116-V194 HydrophobicContact CD2-CG2 4.36Å; L116-V194 HydrophobicContact CG-CG2 4.18Å; L167-V194 HydrophobicContact CD1-CG2 3.99Å; L167-V194 HydrophobicContact CD2-CG2 4.22Å; V191-V194 HydrophobicContact CG1-CG2 3.65Å
195K97.8Very high94.9Very high89 Ų8959.6 Ų59.639%0.38729%0.289SS..EExtended strand (participates in β ladder)trans-112.7135.9175.7-61.8-176177.6-177.20110.1L114 R115 F117 K193L114-K195 CarbonylContact C-O 3.52Å; L114-K195 WeakPolarHBondContact CA-O 3.46Å; R115-K195 HydrophobicContact CB-CB 4.3Å; R115-K195 PolarHBondContact N-O 3.01Å; R115-K195 PolarHBondContact O-N 3.4Å; F117-K195 HydrophobicContact CE2-CD 3.99Å; F117-K195 HydrophobicContact CE2-CG 4.2Å; K193-K195 HydrophobicContact CD-CG 4.47Å; K193-K195 HydrophobicContact CG-CG 4.3Å
196M96Very high94.5Very high24 Ų2463.1 Ų63.112%0.11830%0.304CS..EExtended strand (participates in β ladder)trans-80.8115.6165.6-169.798.8-88.200110.2H80 Y112 L113 L114 K199H80-M196 WeakPolarHBondContact O-CB 3.34Å; H80-M196 PolarHBondContact O-N 2.84Å; Y112-M196 VanDerWaalsContact CB-CE 3.49Å; Y112-M196 HydrophobicContact CD1-CE 3.57Å; Y112-M196 HydrophobicContact CD1-SD 3.52Å; Y112-M196 VanDerWaalsContact CD1-SD 3.52Å; Y112-M196 HydrophobicContact CE1-SD 4.18Å; Y112-M196 HydrophobicContact CG-CE 3.94Å; Y112-M196 HydrophobicContact CG-SD 4.41Å; L113-M196 WeakPolarHBondContact O-CE 3.27Å; L114-M196 HydrophobicContact CD2-CE 3.22Å; L114-M196 HydrophobicContact CD2-SD 4.27Å; L114-M196 HydrophobicContact CG-CE 3.74Å; M196-K199 HydrophobicContact CG-CD 4.42Å; M196-K199 HydrophobicContact CG-CG 3.7Å; M196-K199 HydrophobicContact SD-CG 3.88Å
197L95.9Very high94.1Very high75 Ų7563.2 Ų63.239%0.39330%0.304SS..EExtended strand (participates in β ladder)trans-89.6-47.4176.4-61.8-176.6000111.3L113 R115L113-L197 HydrophobicContact CB-CB 4.27Å; L113-L197 HydrophobicContact CD2-CB 3.94Å; L113-L197 HydrophobicContact CD2-CD1 3.95Å; L113-L197 HydrophobicContact CG-CB 4.08Å; L113-L197 HydrophobicContact CG-CD1 4.1Å; L113-L197 WeakPolarHBondContact O-CB 3.47Å; L113-L197 PolarHBondContact O-N 3.19Å; R115-L197 HydrophobicContact CB-CD1 4.04Å; R115-L197 HydrophobicContact CB-CD2 4.24Å; R115-L197 HydrophobicContact CB-CG 4.09Å
198K95.3Very high93.9Very high145 Ų14564 Ų6463%0.6331%0.308SS*.EExtended strand (participates in β ladder)trans-139.6137.1-178.8-167174-179.5176.80109.9L113L113-K198 HydrophobicContact CB-CB 3.82Å; L113-K198 HydrophobicContact CD2-CB 4.43Å; L113-K198 PolarHBondContact N-O 2.66Å; L113-K198 PolarHBondContact O-N 3.39Å
199K93.6Very high93.6Very high60 Ų6067.9 Ų67.926%0.26133%0.326SS..PPolyproline II helixtrans-103.6145.4170.5-65.6-172.5166.1-160.50109.7E68 Y112 M196E68-K199 IonicContact OE1-NZ 2.66Å; E68-K199 PolarHBondContact OE1-NZ 2.88Å; Y112-K199 HydrophobicContact CD1-CB 4.3Å; Y112-K199 HydrophobicContact CD1-CG 4.07Å; Y112-K199 HydrophobicContact CE1-CB 4.17Å; Y112-K199 HydrophobicContact CE1-CD 4.45Å; Y112-K199 HydrophobicContact CE1-CG 3.99Å; M196-K199 HydrophobicContact CG-CD 4.42Å; M196-K199 HydrophobicContact CG-CG 3.7Å; M196-K199 HydrophobicContact SD-CG 3.88Å
200P93.4Very high93.2Very high42 Ų4268.6 Ų68.627%0.27333%0.329SS..PPolyproline II helixtrans-64170.3165.930.6-33.7000110.2Y112 F202Y112-P200 HydrophobicContact CD1-CG 4.31Å; Y112-P200 HydrophobicContact CD2-CG 4.09Å; Y112-P200 VanDerWaalsContact CE1-CD 3.4Å; Y112-P200 HydrophobicContact CE1-CG 4.07Å; Y112-P200 HydrophobicContact CE2-CG 3.81Å; Y112-P200 HydrophobicContact CG-CG 4.34Å; P200-F202 PolarHBondContact O-N 2.86Å
201K91.8Very high92.8Very high190 Ų19067.4 Ų67.483%0.82633%0.325SS*.PPolyproline II helixtrans-58.9137.8174.7-172.4176.4178.8-177.70108.9E203K201-E203 PolarHBondContact O-N 2.66Å
202F90.8Very high92.2Very high99 Ų9969 Ų6943%0.43434%0.342SS..PPolyproline II helixtrans-63.4126.9-179.1177.8-107.8000110.8E68 D69 P200 L204 L207E68-F202 HydrophobicContact CB-CD2 4.26Å; E68-F202 HydrophobicContact CB-CE2 3.74Å; E68-F202 HydrophobicContact CB-CZ 4.49Å; D69-F202 HydrophobicContact CB-CZ 4.24Å; P200-F202 PolarHBondContact O-N 2.86Å; F202-L204 HydrophobicContact CE1-CB 4.44Å; F202-L204 HydrophobicContact CE1-CD1 4.33Å; F202-L204 HydrophobicContact CZ-CD1 4.01Å; F202-L207 HydrophobicContact CE2-CB 4.25Å; F202-L207 HydrophobicContact CE2-CD2 3.94Å; F202-L207 HydrophobicContact CZ-CD2 4.03Å
203E89.6Confident89.9Confident98 Ų9874.3 Ų74.346%0.45837%0.37SS..  trans-128116.5177.1-73.4172-166.700108.4K201 G205 K206 L207K201-E203 PolarHBondContact O-N 2.66Å; E203-G205 VanDerWaalsContact C-N 3.27Å; E203-G205 PolarHBondContact O-N 2.87Å; E203-K206 HydrophobicContact CB-CB 4.49Å; E203-K206 HydrophobicContact CB-CD 4.4Å; E203-K206 HydrophobicContact CB-CG 4.46Å; E203-K206 PolarHBondContact O-N 2.81Å; E203-K206 IonicContact OE1-NZ 3.64Å; E203-K206 WeakPolarHBondContact OE2-CD 3.33Å; E203-K206 WeakPolarHBondContact OE2-CE 3.14Å; E203-K206 IonicContact OE2-NZ 2.81Å; E203-K206 PolarHBondContact OE2-NZ 3.26Å; E203-L207 PolarHBondContact O-N 3.49Å
204L89.4Confident87Confident85 Ų8575 Ų7545%0.44539%0.393SS..Hα-helixtrans-60.4-37.5-175.4-172.766.4000112.3D69 F202 K206 L207 M208D69-L204 HydrophobicContact CB-CD1 4.27Å; D69-L204 WeakPolarHBondContact OD2-CD1 3.36Å; F202-L204 HydrophobicContact CE1-CB 4.44Å; F202-L204 HydrophobicContact CE1-CD1 4.33Å; F202-L204 HydrophobicContact CZ-CD1 4.01Å; L204-K206 PolarHBondContact O-N 2.82Å; L204-L207 PolarHBondContact O-N 3.45Å; L204-M208 HydrophobicContact CD1-CE 3.41Å; L204-M208 VanDerWaalsContact CD1-CE 3.41Å; L204-M208 HydrophobicContact CD2-CE 4.5Å; L204-M208 HydrophobicContact CG-CE 3.86Å; L204-M208 WeakPolarHBondContact O-CG 3.21Å; L204-M208 PolarHBondContact O-N 3.39Å
205G90.6Very high84.5Confident55 Ų5579 Ų7957%0.56744%0.435SS*.Hα-helixtrans-58.8-45179.500000113.1E203 L207 M208 E209E203-G205 VanDerWaalsContact C-N 3.27Å; E203-G205 PolarHBondContact O-N 2.87Å; G205-L207 VanDerWaalsContact C-N 3.32Å; G205-L207 PolarHBondContact O-N 3.4Å; G205-M208 PolarHBondContact O-N 2.82Å; G205-E209 PolarHBondContact O-N 2.88Å
206K88.4Confident81.4Confident86 Ų8678.1 Ų78.137%0.37445%0.452SS..Hα-helixtrans-63.4-37.1176.3-75.1-178.5175.4144.80112.4E203 L204 E209 L210E203-K206 HydrophobicContact CB-CB 4.49Å; E203-K206 HydrophobicContact CB-CD 4.4Å; E203-K206 HydrophobicContact CB-CG 4.46Å; E203-K206 PolarHBondContact O-N 2.81Å; E203-K206 IonicContact OE1-NZ 3.64Å; E203-K206 WeakPolarHBondContact OE2-CD 3.33Å; E203-K206 WeakPolarHBondContact OE2-CE 3.14Å; E203-K206 IonicContact OE2-NZ 2.81Å; E203-K206 PolarHBondContact OE2-NZ 3.26Å; L204-K206 PolarHBondContact O-N 2.82Å; K206-E209 PolarHBondContact O-N 3.36Å; K206-L210 WeakPolarHBondContact O-CG 3.26Å; K206-L210 PolarHBondContact O-N 2.86Å; K206-L210 VanDerWaalsContact O-N 3.13Å
207L89Confident78.4Confident2 Ų282.5 Ų82.51%0.0149%0.492CS..Hα-helixtrans-66.7-39.9175.2-175.466.7000111.3E68 D69 L76 N78 F202 E203 L204 G205 E209 L210 H211E68-L207 HydrophobicContact CB-CD2 4.01Å; D69-L207 HydrophobicContact CB-CD2 3.58Å; L76-L207 HydrophobicContact CB-CD2 4.02Å; L76-L207 HydrophobicContact CD1-CD2 4.37Å; N78-L207 HydrophobicContact CB-CD1 4.14Å; F202-L207 HydrophobicContact CE2-CB 4.25Å; F202-L207 HydrophobicContact CE2-CD2 3.94Å; F202-L207 HydrophobicContact CZ-CD2 4.03Å; E203-L207 PolarHBondContact O-N 3.49Å; L204-L207 PolarHBondContact O-N 3.45Å; G205-L207 VanDerWaalsContact C-N 3.32Å; G205-L207 PolarHBondContact O-N 3.4Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 3.18Å; L207-L210 PolarHBondContact O-N 3.18Å; L207-H211 PolarHBondContact O-CD2 3.25Å; L207-H211 VanDerWaalsContact O-CD2 3.29Å; L207-H211 PolarHBondContact O-N 3.38Å
208M91.8Very high75.3Confident56 Ų5682.2 Ų82.228%0.27651%0.507SS..Hα-helixtrans-65-37.7176.3-64.7-56.1149.100111.9Q71 L76 L204 G205 L210 H211 G212Q71-M208 HydrophobicContact CG-CE 4.31Å; Q71-M208 PolarHBondContact NE2-SD 3.43Å; L76-M208 HydrophobicContact CD1-CE 3.57Å; L76-M208 HydrophobicContact CD1-SD 3.93Å; L204-M208 HydrophobicContact CD1-CE 3.41Å; L204-M208 VanDerWaalsContact CD1-CE 3.41Å; L204-M208 HydrophobicContact CD2-CE 4.5Å; L204-M208 HydrophobicContact CG-CE 3.86Å; L204-M208 WeakPolarHBondContact O-CG 3.21Å; L204-M208 PolarHBondContact O-N 3.39Å; G205-M208 PolarHBondContact O-N 2.82Å; M208-L210 VanDerWaalsContact C-N 3.29Å; M208-L210 PolarHBondContact O-N 3.49Å; M208-H211 CarbonylContact O-C 3.57Å; M208-H211 WeakPolarHBondContact O-CA 3.25Å; M208-H211 PolarHBondContact O-N 3.36Å; M208-G212 PolarHBondContact O-N 3.07Å
209E89.6Confident72.1Confident125 Ų12585 Ų8558%0.58452%0.52SS*.Hα-helixtrans-62.8-34.4173.9-170.9-176169.800112.5G205 K206 L207 H211G205-E209 PolarHBondContact O-N 2.88Å; K206-E209 PolarHBondContact O-N 3.36Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 3.18Å; E209-H211 PolarHBondContact O-N 3.28Å
210L88.7Confident69.1Low22 Ų2287.8 Ų87.812%0.11554%0.544CS..Hα-helixtrans-71.2-16.9172.6-68.8172.9000113A16 K161 K206 L207 M208A16-L210 WeakPolarHBondContact CB-O 2.95Å; A16-L210 PolarHBondContact N-O 3.28Å; K161-L210 HydrophobicContact CB-CD2 4.06Å; K161-L210 HydrophobicContact CD-CD2 4.4Å; K161-L210 HydrophobicContact CG-CD2 4.32Å; K206-L210 WeakPolarHBondContact O-CG 3.26Å; K206-L210 PolarHBondContact O-N 2.86Å; K206-L210 VanDerWaalsContact O-N 3.13Å; L207-L210 PolarHBondContact O-N 3.18Å; M208-L210 VanDerWaalsContact C-N 3.29Å; M208-L210 PolarHBondContact O-N 3.49Å
211H89.6Confident66.1Low13 Ų1391.1 Ų91.16%0.0657%0.568CS.*Hα-helixtrans-111.7-4.6-177.7-81.1-91000114.4K13 A14 R21 T77 L207 M208 E209K13-H211 PolarHBondContact O-CE1 2.99Å; A14-H211 VanDerWaalsContact C-CE1 3.49Å; A14-H211 PolarHBondContact O-CE1 3.23Å; A14-H211 VanDerWaalsContact O-CE1 3.31Å; A14-H211 PolarHBondContact O-ND1 3.06Å; R21-H211 PolarHBondContact NH1-O 2.79Å; R21-H211 PolarHBondContact NH2-ND1 3.32Å; T77-H211 PolarHBondContact O-NE2 2.86Å; L207-H211 PolarHBondContact O-CD2 3.25Å; L207-H211 VanDerWaalsContact O-CD2 3.29Å; L207-H211 PolarHBondContact O-N 3.38Å; M208-H211 CarbonylContact O-C 3.57Å; M208-H211 WeakPolarHBondContact O-CA 3.25Å; M208-H211 PolarHBondContact O-N 3.36Å; E209-H211 PolarHBondContact O-N 3.28Å
212G82.7Confident63.1Low35 Ų3585.3 Ų85.336%0.36156%0.562SS.*  trans-122.8151.9172.900000112M208M208-G212 PolarHBondContact O-N 3.07Å
213E49.4Very low60.3Low197 Ų19788.1 Ų88.192%0.92158%0.581SS**  cis-111.6147.3-5.6-78.9176.7140.900110.9
214G36.5Very low57.5Low72 Ų7292.5 Ų92.574%0.74260%0.602SS**  trans-153.475165.700000107.6G216G214-G216 PolarHBondContact O-N 2.9Å
215G43.9Very low54.9Low88 Ų8893.1 Ų93.191%0.90762%0.619SS**  trans-61.6118.1161.800000108.6
216G33.6Very low52.6Low72 Ų7294.3 Ų94.374%0.74263%0.632SS**  trans164.9104.5176.900000112.8G214G214-G216 PolarHBondContact O-N 2.9Å
217A33.7Very low50Low116 Ų11694.9 Ų94.996%0.95965%0.652SS**SBendtrans82.972169.600000117.9
218G30.4Very low47.5Very low69 Ų69104.5 Ų104.571%0.71169%0.694SS**  trans-171.877.8154.100000109.4P220G218-P220 WeakPolarHBondContact O-CD 3.44Å
219K27.1Very low45Very low204 Ų204108.3 Ų108.389%0.88772%0.72SS**  trans-45123.1175.2-85.1177.4170.5178.80110.3
220P31.7Very low42.4Very low118 Ų118111.3 Ų111.377%0.76673%0.734SS**PPolyproline II helixtrans-70.8125.2141.923.4-11.6000105.9G218 G222G218-P220 WeakPolarHBondContact O-CD 3.44Å; P220-G222 PolarHBondContact O-N 3.14Å; P220-G222 VanDerWaalsContact O-N 3.09Å
221S29Very low40.2Very low112 Ų112121.7 Ų121.778%0.78377%0.772SS**PPolyproline II helixtrans-48.7118.516243.10000107.7D223S221-D223 PolarHBondContact O-N 2.71Å
222G30.7Very low38Very low67 Ų67125.4 Ų125.469%0.69181%0.805SS**PPolyproline II helixtrans-61.8123.4168.600000108P220P220-G222 PolarHBondContact O-N 3.14Å; P220-G222 VanDerWaalsContact O-N 3.09Å
223D31.1Very low36.2Very low158 Ų158132 Ų13285%0.84583%0.832SS**  trans-158.1141.2134.1-93.2-28.2000109.2S221S221-D223 PolarHBondContact O-N 2.71Å
224E30.6Very low36.5Very low190 Ų190126.4 Ų126.489%0.88883%0.828SS**  trans80.494.8168.1-61.1-172.5156.600119.1
225A34.3Very low37.3Very low98 Ų98132.5 Ų132.581%0.8183%0.83SS**  trans-44.8138.4149.900000112.8A227A225-A227 PolarHBondContact O-N 3.23Å
226G43.5Very low37.8Very low81 Ų81136.9 Ų136.984%0.83583%0.827SS**  trans1794.5158.500000118.9
227A33.3Very low38.9Very low97 Ų97138 Ų13880%0.80282%0.821SS**  trans-91.2110.4153.900000109.4A225 V229A225-A227 PolarHBondContact O-N 3.23Å; A227-V229 PolarHBondContact O-N 3.04Å
228K35.9Very low40.2Very low204 Ų204138 Ų13889%0.88781%0.811SS**  trans-61.8118.9164.9-129.5179-177.9-178.30107.1E230K228-E230 PolarHBondContact O-N 3.28Å
229V39.3Very low41.6Very low137 Ų137141.2 Ų141.283%0.8382%0.816SS**  trans-74.4106.9172.2-178.30000107.7A227 R231A227-V229 PolarHBondContact O-N 3.04Å; V229-R231 PolarHBondContact O-N 3.24Å
230E36.4Very low42.7Very low188 Ų188140.3 Ų140.388%0.87982%0.815SS**PPolyproline II helixtrans-64.9118.9164.5-74.5-173.8156.600108.5K228 A232K228-E230 PolarHBondContact O-N 3.28Å; E230-A232 PolarHBondContact O-N 3.2Å
231R42.3Very low43.4Very low239 Ų239143.8 Ų143.890%0.90282%0.821SS**PPolyproline II helixtrans-67122166.5-94.3179.9172.9133.8-2.6107.3V229 D233V229-R231 PolarHBondContact O-N 3.24Å; R231-D233 PolarHBondContact O-N 3.04Å
232A42.4Very low44.5Very low92 Ų92143.7 Ų143.776%0.7682%0.82SS**PPolyproline II helixtrans-65.8127.3164.600000109.2E230 G234E230-A232 PolarHBondContact O-N 3.2Å; A232-G234 PolarHBondContact O-N 3.39Å
233D46Very low45Very low172 Ų172150.7 Ų150.792%0.9285%0.85SS**SBendtrans-57.9121.6171.9-75.7-41.8000110R231R231-D233 PolarHBondContact O-N 3.04Å
234G53.8Low45.7Very low81 Ų81150.4 Ų150.484%0.83585%0.85SS**  trans132.720.5169.500000118.3A232A232-G234 PolarHBondContact O-N 3.39Å
235Y54.1Low46.5Very low200 Ų200148.3 Ų148.378%0.78485%0.848SS**  trans-10597.5169.1-167.9-98.1000111.4
236E54.4Low47.2Very low180 Ų180151.1 Ų151.184%0.84185%0.85SS**PPolyproline II helixtrans-84.9123.4165.4-75.8-173.7160.900109.8
237P56.7Low47.4Very low96 Ų96155.2 Ų155.262%0.62385%0.851SS**PPolyproline II helixtrans-71.9143.7171.828-31000110.7V239P237-V239 PolarHBondContact O-N 2.62Å
238P62.1Low48.3Very low115 Ų115158.8 Ų158.875%0.74785%0.854SS**PPolyproline II helixtrans-63.4133.3-177.324.7-33000111.8Q240P238-Q240 PolarHBondContact O-N 3.27Å
239V59.4Low49.1Very low136 Ų136155.8 Ų155.882%0.82485%0.852SS**PPolyproline II helixtrans-64.7122.2175.6179.70000108.8P237 E241P237-V239 PolarHBondContact O-N 2.62Å; V239-E241 PolarHBondContact O-N 2.88Å
240Q49.2Very low49.8Very low185 Ų185157.1 Ų157.186%0.86485%0.853SS**PPolyproline II helixtrans-69.3116.2168.1-79.3178.8-23.500108.6P238 S242P238-Q240 PolarHBondContact O-N 3.27Å; Q240-S242 PolarHBondContact O-N 3.25Å
241E47.4Very low50.9Low191 Ų191154.8 Ų154.889%0.89385%0.851SS**  trans-69114.7164.9-72.5-174.5166.300108.7V239V239-E241 PolarHBondContact O-N 2.88Å
242S51.9Low51.6Low110 Ų110147.8 Ų147.877%0.76985%0.847SS**  trans-74118.1164.853.10000109.7Q240Q240-S242 PolarHBondContact O-N 3.25Å
243V41.7Very low52.4Low215 Ų215152.8 Ų152.8100%1.30386%0.855SS**  -176.70112.81610000107.5

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