A0A077Z452_TRITR Loading...

UDP-glucose 4-epimerase

AlphaFold DB , UniProt , Accession A0A077Z452, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 352 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
1M44.4Very low82.5Confident240 Ų24070.6 Ų70.6100%1.18239%0.385SS*.  0130.80-79.3172.2-171.400106.9V3M1-V3 PolarHBondContact O-N 3.39Å
2Q61.9Low83.9Confident147 Ų14764.8 Ų64.869%0.68735%0.353SS*.PPolyproline II helixtrans-65.7127.1168.3-77.9177.2-13.100107.4A4Q2-A4 PolarHBondContact O-N 3.48Å
3V69.3Low85Confident75 Ų7559.8 Ų59.846%0.45533%0.326SS..PPolyproline II helixtrans-59.4133.9173.6179.30000107.3M1 Q7 S8M1-V3 PolarHBondContact O-N 3.39Å; V3-Q7 HydrophobicContact CG1-CB 3.45Å; V3-Q7 VanDerWaalsContact CG1-CB 3.45Å; V3-S8 WeakPolarHBondContact CG1-OG 3.49Å
4A82.9Confident86Confident39 Ų3956.2 Ų56.232%0.32231%0.31SS..PPolyproline II helixtrans-61.7145.8177.500000109.2Q2 S6 Q7 S8Q2-A4 PolarHBondContact O-N 3.48Å; A4-S6 PolarHBondContact O-N 3.45Å; A4-S6 VanDerWaalsContact O-N 3.13Å; A4-Q7 HydrophobicContact CB-CG 4.44Å; A4-Q7 WeakPolarHBondContact O-CA 3.28Å; A4-Q7 WeakPolarHBondContact O-CB 3.25Å; A4-Q7 PolarHBondContact O-N 2.93Å; A4-S8 PolarHBondContact O-N 3.13Å
5P84.6Confident86.8Confident47 Ų4752.5 Ų52.531%0.30529%0.289SS..G310 helixtrans-49.8-40.8177.5-31.737.2000113.8Q7 S8 Q30 D31 Y32P5-Q7 PolarHBondContact O-N 3.35Å; P5-Q7 VanDerWaalsContact O-N 3.11Å; P5-S8 PolarHBondContact O-N 2.96Å; P5-Q30 WeakPolarHBondContact CB-O 3.45Å; P5-D31 CarbonylContact C-O 3.59Å; P5-Y32 HydrophobicContact CB-CD1 4Å; P5-Y32 HydrophobicContact CB-CD2 4.01Å; P5-Y32 HydrophobicContact CB-CE1 3.85Å; P5-Y32 HydrophobicContact CB-CE2 3.86Å; P5-Y32 HydrophobicContact CB-CG 4.09Å; P5-Y32 HydrophobicContact CG-CE1 4.42Å; P5-Y32 HydrophobicContact CG-CE2 4.26Å; P5-Y32 WeakPolarHBondContact O-CA 3.39Å
6S85.7Confident87.5Confident69 Ų6949.4 Ų49.448%0.48327%0.273SS..G310 helixtrans-64.4-12.817758.10000115.8A4 D31 N33A4-S6 PolarHBondContact O-N 3.45Å; A4-S6 VanDerWaalsContact O-N 3.13Å; S6-D31 WeakPolarHBondContact CA-O 3.21Å; S6-D31 PolarHBondContact N-O 3.48Å; S6-N33 PolarHBondContact O-ND2 2.91Å
7Q88.9Confident88Confident136 Ų13647.6 Ų47.664%0.63627%0.269SS*.G310 helixtrans-103.8-0.8175-66.2-178.4-35.700112.5V3 A4 P5V3-Q7 HydrophobicContact CG1-CB 3.45Å; V3-Q7 VanDerWaalsContact CG1-CB 3.45Å; A4-Q7 HydrophobicContact CB-CG 4.44Å; A4-Q7 WeakPolarHBondContact O-CA 3.28Å; A4-Q7 WeakPolarHBondContact O-CB 3.25Å; A4-Q7 PolarHBondContact O-N 2.93Å; P5-Q7 PolarHBondContact O-N 3.35Å; P5-Q7 VanDerWaalsContact O-N 3.11Å
8S94.9Very high88.6Confident1 Ų146 Ų461%0.00726%0.259CS..  trans-109.4132.7179.9-57.30000111.1V3 A4 P5 N33 D88V3-S8 WeakPolarHBondContact CG1-OG 3.49Å; A4-S8 PolarHBondContact O-N 3.13Å; P5-S8 PolarHBondContact O-N 2.96Å; S8-N33 PolarHBondContact O-N 2.86Å; S8-N33 VanDerWaalsContact O-N 3.08Å; S8-D88 WeakPolarHBondContact CA-OD2 3.47Å
9S98Very high89.1Confident23 Ų2344.7 Ų44.716%0.16125%0.252CS..EExtended strand (participates in β ladder)trans-106.2121.7179.4-690000111.2N33 Q86 D88 C89S9-N33 CarbonylContact C-O 3.57Å; S9-N33 WeakPolarHBondContact CA-O 3.49Å; S9-Q86 WeakPolarHBondContact CB-O 3.3Å; S9-Q86 PolarHBondContact OG-O 3.21Å; S9-D88 PolarHBondContact N-OD2 3.37Å; S9-D88 PolarHBondContact O-N 2.82Å; S9-C89 PolarHBondContact O-N 3.31Å
10I98.6Very high89.5Confident0 Ų042.6 Ų42.60%024%0.24CC..EExtended strand (participates in β ladder)trans-110.4117.8-177.8-46.5-59.6000109.5V12 L27 Y32 N33 I35 C89 M91 L261 F265I10-V12 HydrophobicContact CG2-CG2 4.07Å; I10-L27 HydrophobicContact CB-CD1 4.21Å; I10-L27 HydrophobicContact CG1-CD2 4.12Å; I10-L27 HydrophobicContact CG2-CD1 3.91Å; I10-Y32 HydrophobicContact CD1-CD1 4.1Å; I10-Y32 HydrophobicContact CD1-CE1 4.45Å; I10-Y32 HydrophobicContact CG1-CD1 3.86Å; I10-Y32 HydrophobicContact CG1-CG 4.17Å; I10-N33 PolarHBondContact N-O 2.97Å; I10-I35 PolarHBondContact O-N 2.81Å; I10-C89 WeakPolarHBondContact CA-O 3.23Å; I10-C89 HydrophobicContact CD1-CB 3.82Å; I10-M91 HydrophobicContact CG2-CE 4.23Å; I10-M91 HydrophobicContact CG2-CG 3.8Å; I10-M91 HydrophobicContact CG2-SD 4.2Å; I10-L261 HydrophobicContact CD1-CD1 4.32Å; I10-L261 HydrophobicContact CD1-CD2 3.94Å; I10-F265 HydrophobicContact CD1-CZ 4.04Å
11L98.8Very high90Very high0 Ų040.5 Ų40.50%023%0.229CC..EExtended strand (participates in β ladder)trans-82.6118.8169.2-178.573.3000109.1T13 I35 V37 I81 F82 I87 C89 V90 M91 L120L11-T13 HydrophobicContact CD2-CG2 4.41Å; L11-T13 HydrophobicContact CG-CG2 4.49Å; L11-I35 CarbonylContact C-O 3.54Å; L11-I35 WeakPolarHBondContact CA-O 3.07Å; L11-I35 HydrophobicContact CD1-CB 3.83Å; L11-I35 HydrophobicContact CD1-CG2 3.58Å; L11-V37 HydrophobicContact CD1-CG2 3.61Å; L11-I81 HydrophobicContact CD1-CG2 4.14Å; L11-F82 HydrophobicContact CD2-CE2 3.69Å; L11-F82 HydrophobicContact CD2-CZ 3.8Å; L11-I87 HydrophobicContact CB-CD1 4.13Å; L11-I87 HydrophobicContact CB-CG1 4.4Å; L11-I87 HydrophobicContact CB-CG2 3.82Å; L11-I87 HydrophobicContact CD1-CD1 4.36Å; L11-I87 HydrophobicContact CD2-CD1 4.16Å; L11-I87 HydrophobicContact CG-CD1 4.45Å; L11-C89 PolarHBondContact N-O 3.05Å; L11-V90 HydrophobicContact CB-CG1 4.5Å; L11-V90 HydrophobicContact CB-CG2 4.14Å; L11-V90 HydrophobicContact CD2-CG1 4.2Å; L11-V90 HydrophobicContact CD2-CG2 4.03Å; L11-V90 CarbonylContact O-C 3.56Å; L11-V90 WeakPolarHBondContact O-CA 3.06Å; L11-M91 PolarHBondContact O-N 3.11Å; L11-L120 HydrophobicContact CD2-CD1 4.37Å
12V98.9Very high92.6Very high0 Ų029.2 Ų29.20%017%0.173CC..EExtended strand (participates in β ladder)trans-109.7110.5177.3-1750000109I10 A15 V24 L27 V34 I35 V37 M91 F93I10-V12 HydrophobicContact CG2-CG2 4.07Å; V12-A15 HydrophobicContact CB-CB 4.12Å; V12-A15 HydrophobicContact CG1-CB 3.85Å; V12-A15 WeakPolarHBondContact O-CB 2.86Å; V12-V24 HydrophobicContact CB-CG2 4.13Å; V12-V24 HydrophobicContact CG1-CG2 3.95Å; V12-V24 HydrophobicContact CG2-CG2 4.16Å; V12-L27 HydrophobicContact CG2-CD1 3.67Å; V12-V34 HydrophobicContact CG2-CG1 3.98Å; V12-I35 PolarHBondContact N-O 3.23Å; V12-V37 PolarHBondContact O-N 3.05Å; V12-M91 WeakPolarHBondContact CA-O 3.46Å; V12-M91 HydrophobicContact CG2-CB 4.43Å; V12-F93 HydrophobicContact CG1-CD2 3.71Å; V12-F93 HydrophobicContact CG1-CE2 3.7Å
13T98.8Very high94.3Very high0 Ų022.2 Ų22.20%014%0.14CC..EExtended strand (participates in β ladder)trans-90.7144.7174.587.80000110.2L11 V37 L72 V90 M91 H92 F93 A94 L120L11-T13 HydrophobicContact CD2-CG2 4.41Å; L11-T13 HydrophobicContact CG-CG2 4.49Å; T13-V37 CarbonylContact C-O 3.57Å; T13-V37 WeakPolarHBondContact CA-O 3.35Å; T13-L72 HydrophobicContact CG2-CD1 4.42Å; T13-L72 HydrophobicContact CG2-CD2 4.2Å; T13-V90 HydrophobicContact CG2-CG1 4.28Å; T13-M91 PolarHBondContact N-O 2.91Å; T13-H92 PolarHBondContact OG1-ND1 3.22Å; T13-F93 WeakPolarHBondContact O-CA 3.07Å; T13-F93 WeakPolarHBondContact O-CB 3.44Å; T13-F93 WeakPolarHBondContact O-CD2 3.26Å; T13-F93 PolarHBondContact O-N 3.11Å; T13-F93 PolarHBondContact OG1-N 3.42Å; T13-A94 PolarHBondContact O-N 2.97Å; T13-A94 WeakPolarHBondContact OG1-CB 3.47Å; T13-A94 PolarHBondContact OG1-N 3.29Å; T13-L120 HydrophobicContact CG2-CD2 4.23Å
14G98.2Very high95.7Very high10 Ų1018.7 Ų18.710%0.10312%0.119CC..THydrogen-bonded Turntrans68.827-171.500000112.1G16 G17 V37 D38G14-G16 VanDerWaalsContact C-N 3.27Å; G14-G16 PolarHBondContact O-N 3.15Å; G14-G17 PolarHBondContact O-N 2.96Å; G14-G17 VanDerWaalsContact O-N 3.16Å; G14-V37 PolarHBondContact N-O 3.22Å; G14-D38 VanDerWaalsContact CA-OD2 3.31Å; G14-D38 WeakPolarHBondContact CA-OD2 3.22Å
15A98.3Very high96.5Very high0 Ų017.1 Ų17.10%011%0.105CC..THydrogen-bonded Turntrans-64.5-28.1-171.800000113.4V12 G17 G20 S21 V24 A36 V37 D38 L54V12-A15 HydrophobicContact CB-CB 4.12Å; V12-A15 HydrophobicContact CG1-CB 3.85Å; V12-A15 WeakPolarHBondContact O-CB 2.86Å; A15-G17 VanDerWaalsContact C-N 3.26Å; A15-G17 PolarHBondContact O-N 3.24Å; A15-G20 CarbonylContact O-C 3.55Å; A15-G20 VanDerWaalsContact O-C 3.31Å; A15-S21 WeakPolarHBondContact O-CA 3.4Å; A15-S21 PolarHBondContact O-N 3.44Å; A15-V24 HydrophobicContact CB-CG2 4.04Å; A15-A36 HydrophobicContact CB-CB 3.57Å; A15-V37 PolarHBondContact N-O 3.1Å; A15-D38 PolarHBondContact N-OD2 3.12Å; A15-L54 HydrophobicContact CB-CD1 4.03Å; A15-L54 WeakPolarHBondContact O-CD2 3.36Å
16G97.3Very high97.1Very high3 Ų316.3 Ų16.33%0.03110%0.097CC..THydrogen-bonded Turntrans-75.2-16.9178.100000113.4G14 D38 C43 S53G14-G16 VanDerWaalsContact C-N 3.27Å; G14-G16 PolarHBondContact O-N 3.15Å; G16-D38 WeakPolarHBondContact CA-OD2 3.49Å; G16-D38 PolarHBondContact N-OD2 3.15Å; G16-C43 VanDerWaalsContact O-CB 3.31Å; G16-C43 WeakPolarHBondContact O-CB 3.37Å; G16-S53 PolarHBondContact O-OG 2.99Å
17G96.9Very high97.7Very high20 Ų2013 Ų1321%0.2067%0.074CC..SBendtrans-70.5178.4-178.500000114.5G14 A15 S21G14-G17 PolarHBondContact O-N 2.96Å; G14-G17 VanDerWaalsContact O-N 3.16Å; A15-G17 VanDerWaalsContact C-N 3.26Å; A15-G17 PolarHBondContact O-N 3.24Å; G17-S21 VanDerWaalsContact O-CB 3.31Å; G17-S21 WeakPolarHBondContact O-CB 3.27Å; G17-S21 PolarHBondContact O-N 3.33Å; G17-S21 PolarHBondContact O-OG 2.97Å
18F97.8Very high98.2Very high18 Ų186.7 Ų6.78%0.0794%0.044CC..Hα-helixtrans-57.6-61.9-175.5176-142.4000113.2S21 H22 P194 E205 V250F18-S21 PolarHBondContact O-OG 2.86Å; F18-S21 VanDerWaalsContact O-OG 3.07Å; F18-H22 AromaticContact CD2-CE1 3.84Å; F18-H22 AromaticContact CE2-CE1 3.73Å; F18-H22 PolarHBondContact O-ND1 2.82Å; F18-P194 HydrophobicContact CE1-CB 4.19Å; F18-E205 HydrophobicContact CB-CB 4.31Å; F18-E205 HydrophobicContact CB-CG 4.02Å; F18-E205 HydrophobicContact CD1-CB 3.92Å; F18-E205 VanDerWaalsContact CD1-CD 3.47Å; F18-E205 HydrophobicContact CD1-CG 3.85Å; F18-E205 HydrophobicContact CD2-CB 3.61Å; F18-E205 HydrophobicContact CD2-CG 4.25Å; F18-E205 HydrophobicContact CE1-CB 4.08Å; F18-E205 HydrophobicContact CE1-CG 4.36Å; F18-E205 HydrophobicContact CE2-CB 3.78Å; F18-E205 HydrophobicContact CG-CB 3.69Å; F18-E205 HydrophobicContact CG-CG 3.79Å; F18-E205 HydrophobicContact CZ-CB 4.01Å; F18-V250 HydrophobicContact CD2-CG2 4.2Å; F18-V250 HydrophobicContact CE1-CB 4.21Å; F18-V250 HydrophobicContact CE1-CG2 4.14Å; F18-V250 HydrophobicContact CE2-CB 3.9Å; F18-V250 HydrophobicContact CE2-CG1 3.75Å; F18-V250 HydrophobicContact CE2-CG2 3.75Å; F18-V250 HydrophobicContact CZ-CB 3.55Å; F18-V250 HydrophobicContact CZ-CG1 3.75Å; F18-V250 HydrophobicContact CZ-CG2 3.71Å
19V98.3Very high98.3Very high22 Ų2210 Ų1013%0.1337%0.067CC..Hα-helixtrans-71.2-40.9-179.7-173.90000110.9S21 H22 V23 F93 P194 V250 L253V19-S21 PolarHBondContact O-N 3.05Å; V19-H22 PolarHBondContact O-N 3.2Å; V19-V23 HydrophobicContact CG1-CG2 4.21Å; V19-V23 WeakPolarHBondContact O-CG2 3.16Å; V19-V23 PolarHBondContact O-N 2.73Å; V19-F93 HydrophobicContact CB-CD1 4.21Å; V19-F93 HydrophobicContact CB-CE1 4.22Å; V19-F93 HydrophobicContact CG1-CD1 4.1Å; V19-F93 HydrophobicContact CG1-CE1 3.63Å; V19-P194 HydrophobicContact CG2-CB 4.23Å; V19-P194 HydrophobicContact CG2-CG 4.16Å; V19-V250 HydrophobicContact CG2-CG2 4.36Å; V19-L253 HydrophobicContact CG1-CD2 3.84Å; V19-L253 HydrophobicContact CG1-CG 4.33Å; V19-L253 HydrophobicContact CG2-CD2 4.05Å
20G98.5Very high98.2Very high1 Ų112 Ų121%0.017%0.074CC..Hα-helixtrans-54.5-47.7-179.600000112.7A15 H22 V23 V24A15-G20 CarbonylContact O-C 3.55Å; A15-G20 VanDerWaalsContact O-C 3.31Å; G20-H22 PolarHBondContact O-N 3.16Å; G20-V23 PolarHBondContact O-N 3.16Å; G20-V24 WeakPolarHBondContact O-CG2 3.45Å; G20-V24 PolarHBondContact O-N 3.08Å
21S98.5Very high98.1Very high0 Ų016.3 Ų16.30%010%0.097CC..Hα-helixtrans-64.8-36.2-179.655.30000113.3A15 G17 F18 V19 L25 V57A15-S21 WeakPolarHBondContact O-CA 3.4Å; A15-S21 PolarHBondContact O-N 3.44Å; G17-S21 VanDerWaalsContact O-CB 3.31Å; G17-S21 WeakPolarHBondContact O-CB 3.27Å; G17-S21 PolarHBondContact O-N 3.33Å; G17-S21 PolarHBondContact O-OG 2.97Å; F18-S21 PolarHBondContact O-OG 2.86Å; F18-S21 VanDerWaalsContact O-OG 3.07Å; V19-S21 PolarHBondContact O-N 3.05Å; S21-L25 PolarHBondContact O-N 3.14Å; S21-V57 VanDerWaalsContact O-CG2 3.31Å; S21-V57 WeakPolarHBondContact O-CG2 3.48Å
22H98.8Very high98Very high3 Ų317.4 Ų17.41%0.01410%0.101CC..Hα-helixtrans-69.8-36.4174.9-69.274.6000111.8F18 V19 G20 L25 E26 H198 V250 A254F18-H22 AromaticContact CD2-CE1 3.84Å; F18-H22 AromaticContact CE2-CE1 3.73Å; F18-H22 PolarHBondContact O-ND1 2.82Å; V19-H22 PolarHBondContact O-N 3.2Å; G20-H22 PolarHBondContact O-N 3.16Å; H22-L25 WeakPolarHBondContact O-CB 3.37Å; H22-L25 PolarHBondContact O-N 3.21Å; H22-E26 WeakPolarHBondContact O-CG 3.37Å; H22-E26 PolarHBondContact O-N 3.4Å; H22-E26 VanDerWaalsContact O-N 3.08Å; H22-H198 PolarHBondContact NE2-N 2.95Å; H22-H198 VanDerWaalsContact NE2-N 3.12Å; H22-V250 HydrophobicContact CB-CG2 4.01Å; H22-V250 WeakPolarHBondContact NE2-CG1 3.5Å; H22-A254 HydrophobicContact CB-CB 3.94Å
23V98.8Very high97.9Very high0 Ų021 Ų210%012%0.121CC..Hα-helixtrans-67.9-42.2174.9170.20000111.3V19 G20 L25 E26 L27 M91 F93 A254 H257V19-V23 HydrophobicContact CG1-CG2 4.21Å; V19-V23 WeakPolarHBondContact O-CG2 3.16Å; V19-V23 PolarHBondContact O-N 2.73Å; G20-V23 PolarHBondContact O-N 3.16Å; V23-L25 VanDerWaalsContact C-N 3.28Å; V23-L25 PolarHBondContact O-N 3.46Å; V23-E26 PolarHBondContact O-N 3.3Å; V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 HydrophobicContact CG1-CG 4.29Å; V23-L27 WeakPolarHBondContact O-CB 3.42Å; V23-L27 VanDerWaalsContact O-CG 3.3Å; V23-L27 WeakPolarHBondContact O-CG 3.39Å; V23-L27 PolarHBondContact O-N 3.3Å; V23-M91 HydrophobicContact CG1-SD 3.53Å; V23-M91 VanDerWaalsContact CG1-SD 3.53Å; V23-F93 HydrophobicContact CB-CE2 4.34Å; V23-F93 HydrophobicContact CB-CZ 3.83Å; V23-F93 HydrophobicContact CG1-CE2 4.13Å; V23-F93 HydrophobicContact CG1-CZ 3.83Å; V23-F93 HydrophobicContact CG2-CE1 4.01Å; V23-F93 HydrophobicContact CG2-CZ 3.6Å; V23-A254 HydrophobicContact CB-CB 4.49Å; V23-A254 HydrophobicContact CG2-CB 3.68Å; V23-H257 HydrophobicContact CG1-CB 4.21Å; V23-H257 HydrophobicContact CG2-CB 4.07Å
24V98.8Very high97.9Very high0 Ų021.4 Ų21.40%012%0.123CC..Hα-helixtrans-58.8-42.1173.9172.70000110.9V12 A15 G20 L27 L28 V34 L54 V57 L65V12-V24 HydrophobicContact CB-CG2 4.13Å; V12-V24 HydrophobicContact CG1-CG2 3.95Å; V12-V24 HydrophobicContact CG2-CG2 4.16Å; A15-V24 HydrophobicContact CB-CG2 4.04Å; G20-V24 WeakPolarHBondContact O-CG2 3.45Å; G20-V24 PolarHBondContact O-N 3.08Å; V24-L27 PolarHBondContact O-N 3.05Å; V24-L28 HydrophobicContact CG1-CD1 3.94Å; V24-L28 HydrophobicContact CG1-CG 4.31Å; V24-L28 WeakPolarHBondContact O-CG 3.14Å; V24-L28 PolarHBondContact O-N 2.86Å; V24-V34 HydrophobicContact CG1-CG1 4.05Å; V24-V34 HydrophobicContact CG2-CG1 4.12Å; V24-L54 HydrophobicContact CB-CD2 4.11Å; V24-L54 HydrophobicContact CG1-CD2 4Å; V24-L54 HydrophobicContact CG2-CD2 4.13Å; V24-V57 HydrophobicContact CG1-CG1 3.94Å; V24-L65 HydrophobicContact CG1-CD2 3.55Å
25L98.7Very high97.9Very high6 Ų621.1 Ų21.13%0.03112%0.119CC..Hα-helixtrans-59.3-49.5175.6179.759.7000111.8S21 H22 V23 L27 L28 C29 V57 L60 C61 H198 I203S21-L25 PolarHBondContact O-N 3.14Å; H22-L25 WeakPolarHBondContact O-CB 3.37Å; H22-L25 PolarHBondContact O-N 3.21Å; V23-L25 VanDerWaalsContact C-N 3.28Å; V23-L25 PolarHBondContact O-N 3.46Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 2.75Å; L25-L28 PolarHBondContact O-N 2.93Å; L25-C29 WeakPolarHBondContact O-CB 3.37Å; L25-C29 PolarHBondContact O-N 2.92Å; L25-C29 PolarHBondContact O-SG 3.47Å; L25-V57 HydrophobicContact CB-CG1 3.86Å; L25-V57 HydrophobicContact CB-CG2 4.16Å; L25-V57 HydrophobicContact CD1-CG1 4.05Å; L25-L60 HydrophobicContact CD1-CB 3.88Å; L25-L60 HydrophobicContact CD2-CD1 4.01Å; L25-C61 HydrophobicContact CD1-CB 3.85Å; L25-H198 WeakPolarHBondContact CD2-CD2 3.46Å; L25-I203 HydrophobicContact CD2-CD1 3.92Å
26E98.2Very high98Very high30 Ų3021.1 Ų21.114%0.1412%0.119CC..Hα-helixtrans-61.6-39.6178.3-70.9-69.4167.600112.2H22 V23 Q30 A254 R255 T258H22-E26 WeakPolarHBondContact O-CG 3.37Å; H22-E26 PolarHBondContact O-N 3.4Å; H22-E26 VanDerWaalsContact O-N 3.08Å; V23-E26 PolarHBondContact O-N 3.3Å; E26-Q30 WeakPolarHBondContact O-CB 3.47Å; E26-Q30 VanDerWaalsContact O-CG 3.32Å; E26-Q30 WeakPolarHBondContact O-CG 3.31Å; E26-Q30 PolarHBondContact O-N 2.86Å; E26-Q30 VanDerWaalsContact O-N 3.12Å; E26-A254 HydrophobicContact CG-CB 3.82Å; E26-R255 HydrophobicContact CG-CG 4.35Å; E26-R255 IonicContact OE1-NE 2.9Å; E26-R255 PolarHBondContact OE1-NE 2.99Å; E26-T258 HydrophobicContact CB-CG2 3.79Å
27L98.4Very high98Very high0 Ų021 Ų210%012%0.118CC..Hα-helixtrans-62.7-49.7175.8-74.9171.5000112.1I10 V12 V23 V24 L25 C29 Q30 D31 Y32 V34 M91 T258 L261I10-L27 HydrophobicContact CB-CD1 4.21Å; I10-L27 HydrophobicContact CG1-CD2 4.12Å; I10-L27 HydrophobicContact CG2-CD1 3.91Å; V12-L27 HydrophobicContact CG2-CD1 3.67Å; V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 HydrophobicContact CG1-CG 4.29Å; V23-L27 WeakPolarHBondContact O-CB 3.42Å; V23-L27 VanDerWaalsContact O-CG 3.3Å; V23-L27 WeakPolarHBondContact O-CG 3.39Å; V23-L27 PolarHBondContact O-N 3.3Å; V24-L27 PolarHBondContact O-N 3.05Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 2.75Å; L27-C29 PolarHBondContact O-N 3.43Å; L27-Q30 CarbonylContact O-C 3.6Å; L27-Q30 PolarHBondContact O-N 2.88Å; L27-Q30 VanDerWaalsContact O-N 3.11Å; L27-D31 PolarHBondContact O-N 3.13Å; L27-Y32 HydrophobicContact CD2-CD2 3.69Å; L27-Y32 HydrophobicContact CD2-CE2 4.25Å; L27-Y32 HydrophobicContact CD2-CG 3.96Å; L27-Y32 PolarHBondContact O-N 2.84Å; L27-V34 HydrophobicContact CB-CG2 3.69Å; L27-V34 HydrophobicContact CD1-CG2 4.13Å; L27-M91 HydrophobicContact CD1-CE 4.33Å; L27-M91 HydrophobicContact CD1-SD 4.01Å; L27-M91 HydrophobicContact CD2-CE 3.88Å; L27-T258 HydrophobicContact CD2-CG2 3.86Å; L27-T258 HydrophobicContact CG-CG2 4.06Å; L27-L261 HydrophobicContact CD2-CD1 3.67Å
28L98.1Very high98.1Very high3 Ų320.6 Ų20.62%0.01611%0.111CC..Hα-helixtrans-64.1-41.7178.9-69175.7000111.2V24 L25 Q30 D31 V34 V57 C61 K63 D64 L65V24-L28 HydrophobicContact CG1-CD1 3.94Å; V24-L28 HydrophobicContact CG1-CG 4.31Å; V24-L28 WeakPolarHBondContact O-CG 3.14Å; V24-L28 PolarHBondContact O-N 2.86Å; L25-L28 PolarHBondContact O-N 2.93Å; L28-Q30 PolarHBondContact O-N 3.16Å; L28-D31 PolarHBondContact O-N 2.6Å; L28-V34 HydrophobicContact CD2-CB 4.1Å; L28-V34 HydrophobicContact CD2-CG2 3.77Å; L28-V34 HydrophobicContact CG-CG2 4.04Å; L28-V57 HydrophobicContact CD1-CG1 3.92Å; L28-C61 HydrophobicContact CB-CB 4.21Å; L28-C61 VanDerWaalsContact CD1-SG 3.58Å; L28-K63 HydrophobicContact CB-CB 4.47Å; L28-K63 HydrophobicContact CD2-CB 4.46Å; L28-K63 WeakPolarHBondContact O-CD 3.44Å; L28-K63 WeakPolarHBondContact O-CE 3.32Å; L28-K63 PolarHBondContact O-NZ 3.49Å; L28-D64 WeakPolarHBondContact CD2-O 3.36Å; L28-L65 HydrophobicContact CD1-CD2 4.3Å
29C96.7Very high98Very high71 Ų7122 Ų2248%0.4812%0.119SC..Hα-helixtrans-59.7-28.7174.7-74.30000112.7L25 L27 D31L25-C29 WeakPolarHBondContact O-CB 3.37Å; L25-C29 PolarHBondContact O-N 2.92Å; L25-C29 PolarHBondContact O-SG 3.47Å; L27-C29 PolarHBondContact O-N 3.43Å; C29-D31 VanDerWaalsContact C-N 3.34Å
30Q95.9Very high97.9Very high66 Ų6622.3 Ų22.331%0.30812%0.118SC..THydrogen-bonded Turntrans-90.611.5174.8-68177.445.100114P5 E26 L27 L28 Y32 T258P5-Q30 WeakPolarHBondContact CB-O 3.45Å; E26-Q30 WeakPolarHBondContact O-CB 3.47Å; E26-Q30 VanDerWaalsContact O-CG 3.32Å; E26-Q30 WeakPolarHBondContact O-CG 3.31Å; E26-Q30 PolarHBondContact O-N 2.86Å; E26-Q30 VanDerWaalsContact O-N 3.12Å; L27-Q30 CarbonylContact O-C 3.6Å; L27-Q30 PolarHBondContact O-N 2.88Å; L27-Q30 VanDerWaalsContact O-N 3.11Å; L28-Q30 PolarHBondContact O-N 3.16Å; Q30-Y32 VanDerWaalsContact C-N 3.34Å; Q30-Y32 HydrophobicContact CB-CD2 3.81Å; Q30-Y32 HydrophobicContact CB-CE2 3.85Å; Q30-Y32 PolarHBondContact O-N 2.83Å; Q30-T258 VanDerWaalsContact NE2-CB 3.34Å; Q30-T258 PolarHBondContact NE2-OG1 3.21Å
31D96.4Very high97.7Very high90 Ų9025.8 Ų25.848%0.48114%0.139SC..THydrogen-bonded Turntrans69.416.6178.4-71.5-67.1000115.8P5 S6 L27 L28 C29 K63P5-D31 CarbonylContact C-O 3.59Å; S6-D31 WeakPolarHBondContact CA-O 3.21Å; S6-D31 PolarHBondContact N-O 3.48Å; L27-D31 PolarHBondContact O-N 3.13Å; L28-D31 PolarHBondContact O-N 2.6Å; C29-D31 VanDerWaalsContact C-N 3.34Å; D31-K63 WeakPolarHBondContact OD1-CE 3.33Å; D31-K63 IonicContact OD1-NZ 2.76Å; D31-K63 PolarHBondContact OD1-NZ 2.88Å; D31-K63 IonicContact OD2-NZ 3.5Å; D31-K63 PolarHBondContact OD2-NZ 3.22Å
32Y97.7Very high97.4Very high22 Ų2228.8 Ų28.89%0.08616%0.155CC..  trans-70146.7171.7-70.8-82.2000112.4P5 I10 L27 Q30 L261 F265P5-Y32 HydrophobicContact CB-CD1 4Å; P5-Y32 HydrophobicContact CB-CD2 4.01Å; P5-Y32 HydrophobicContact CB-CE1 3.85Å; P5-Y32 HydrophobicContact CB-CE2 3.86Å; P5-Y32 HydrophobicContact CB-CG 4.09Å; P5-Y32 HydrophobicContact CG-CE1 4.42Å; P5-Y32 HydrophobicContact CG-CE2 4.26Å; P5-Y32 WeakPolarHBondContact O-CA 3.39Å; I10-Y32 HydrophobicContact CD1-CD1 4.1Å; I10-Y32 HydrophobicContact CD1-CE1 4.45Å; I10-Y32 HydrophobicContact CG1-CD1 3.86Å; I10-Y32 HydrophobicContact CG1-CG 4.17Å; L27-Y32 HydrophobicContact CD2-CD2 3.69Å; L27-Y32 HydrophobicContact CD2-CE2 4.25Å; L27-Y32 HydrophobicContact CD2-CG 3.96Å; L27-Y32 PolarHBondContact O-N 2.84Å; Q30-Y32 VanDerWaalsContact C-N 3.34Å; Q30-Y32 HydrophobicContact CB-CD2 3.81Å; Q30-Y32 HydrophobicContact CB-CE2 3.85Å; Q30-Y32 PolarHBondContact O-N 2.83Å; Y32-L261 HydrophobicContact CD2-CD1 4.46Å; Y32-L261 HydrophobicContact CE1-CD1 3.96Å; Y32-L261 HydrophobicContact CE2-CD1 3.89Å; Y32-F265 HydrophobicContact CE1-CE2 4Å
33N97.6Very high97.2Very high77 Ų7729 Ų2941%0.41216%0.157SC..EExtended strand (participates in β ladder)trans-78.4124.2167.1-59.7-58.9000108.7S6 S8 S9 I10S6-N33 PolarHBondContact O-ND2 2.91Å; S8-N33 PolarHBondContact O-N 2.86Å; S8-N33 VanDerWaalsContact O-N 3.08Å; S9-N33 CarbonylContact C-O 3.57Å; S9-N33 WeakPolarHBondContact CA-O 3.49Å; I10-N33 PolarHBondContact N-O 2.97Å
34V98.5Very high97Very high7 Ų730 Ų304%0.04216%0.163CC..EExtended strand (participates in β ladder)trans-112.3125.5-176.6-178.10000111.3V12 V24 L27 L28 L65 T66V12-V34 HydrophobicContact CG2-CG1 3.98Å; V24-V34 HydrophobicContact CG1-CG1 4.05Å; V24-V34 HydrophobicContact CG2-CG1 4.12Å; L27-V34 HydrophobicContact CB-CG2 3.69Å; L27-V34 HydrophobicContact CD1-CG2 4.13Å; L28-V34 HydrophobicContact CD2-CB 4.1Å; L28-V34 HydrophobicContact CD2-CG2 3.77Å; L28-V34 HydrophobicContact CG-CG2 4.04Å; V34-L65 HydrophobicContact CB-CB 4.22Å; V34-T66 PolarHBondContact O-N 2.93Å; V34-T66 VanDerWaalsContact O-N 3.08Å
35I98.6Very high96.8Very high4 Ų434.9 Ų34.92%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-104.3111.9165.6-54.591.7000107.4I10 L11 V12 T66 Y68 I81 H85 I87I10-I35 PolarHBondContact O-N 2.81Å; L11-I35 CarbonylContact C-O 3.54Å; L11-I35 WeakPolarHBondContact CA-O 3.07Å; L11-I35 HydrophobicContact CD1-CB 3.83Å; L11-I35 HydrophobicContact CD1-CG2 3.58Å; V12-I35 PolarHBondContact N-O 3.23Å; I35-T66 CarbonylContact C-O 3.56Å; I35-Y68 HydrophobicContact CG2-CD2 3.83Å; I35-Y68 HydrophobicContact CG2-CE2 3.8Å; I35-I81 HydrophobicContact CG2-CG2 3.97Å; I35-H85 HydrophobicContact CD1-CB 4.38Å; I35-H85 HydrophobicContact CG1-CB 4.28Å; I35-I87 HydrophobicContact CD1-CG1 4.42Å
36A98.5Very high96.4Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-96.7135.4-178.900000111A15 L54 L65 T66 F67 Y68A15-A36 HydrophobicContact CB-CB 3.57Å; A36-L54 HydrophobicContact CB-CD1 3.71Å; A36-L65 HydrophobicContact CB-CD1 3.88Å; A36-T66 PolarHBondContact N-O 2.91Å; A36-F67 HydrophobicContact CB-CD2 3.91Å; A36-F67 CarbonylContact O-C 3.59Å; A36-F67 WeakPolarHBondContact O-CA 3.2Å; A36-Y68 PolarHBondContact O-N 3.19Å
37V98.5Very high95.5Very high2 Ų242.5 Ų42.51%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-127.7131.5174.5178.10000109.5L11 V12 T13 G14 A15 Y68 T70 L72 I81L11-V37 HydrophobicContact CD1-CG2 3.61Å; V12-V37 PolarHBondContact O-N 3.05Å; T13-V37 CarbonylContact C-O 3.57Å; T13-V37 WeakPolarHBondContact CA-O 3.35Å; G14-V37 PolarHBondContact N-O 3.22Å; A15-V37 PolarHBondContact N-O 3.1Å; V37-Y68 WeakPolarHBondContact CA-O 3.25Å; V37-T70 HydrophobicContact CG1-CG2 4.48Å; V37-L72 HydrophobicContact CG1-CD2 4.38Å; V37-I81 HydrophobicContact CG2-CD1 3.7Å
38D98Very high94.6Very high11 Ų1146.2 Ų46.26%0.05926%0.259CS..EExtended strand (participates in β ladder)trans-152.8160.8172.4-152-70000110G14 A15 G16 Y40 C43 P51 F67 Y68 E69 T70G14-D38 VanDerWaalsContact CA-OD2 3.31Å; G14-D38 WeakPolarHBondContact CA-OD2 3.22Å; A15-D38 PolarHBondContact N-OD2 3.12Å; G16-D38 WeakPolarHBondContact CA-OD2 3.49Å; G16-D38 PolarHBondContact N-OD2 3.15Å; D38-Y40 PolarHBondContact OD1-N 3.35Å; D38-C43 VanDerWaalsContact CG-SG 3.58Å; D38-C43 PolarHBondContact OD1-SG 3.38Å; D38-P51 HydrophobicContact CB-CG 4.49Å; D38-F67 HydrophobicContact CB-CE2 3.76Å; D38-F67 HydrophobicContact CB-CZ 4.07Å; D38-Y68 PolarHBondContact N-O 2.94Å; D38-E69 CarbonylContact O-C 3.58Å; D38-E69 VanDerWaalsContact O-CA 3.27Å; D38-E69 WeakPolarHBondContact O-CA 3.05Å; D38-T70 PolarHBondContact O-N 3.46Å
39N96.4Very high94.2Very high46 Ų4649.2 Ų49.225%0.24628%0.276CS..  trans-117.89.5177.975.2-5.4000112.9T41 N71N39-T41 VanDerWaalsContact CG-OG1 3.26Å; N39-T41 PolarHBondContact ND2-OG1 2.99Å; N39-T41 VanDerWaalsContact ND2-OG1 3.13Å; N39-T41 PolarHBondContact O-N 3.24Å; N39-T41 VanDerWaalsContact O-N 3.09Å; N39-T41 VanDerWaalsContact OD1-CB 3.28Å; N39-T41 WeakPolarHBondContact OD1-CB 3.32Å; N39-T41 PolarHBondContact OD1-N 2.91Å; N39-T41 PolarHBondContact OD1-OG1 3.24Å; N39-N71 HydrophobicContact CB-CB 4.25Å; N39-N71 PolarHBondContact ND2-ND2 3.31Å
40Y95.3Very high94Very high29 Ų2946.8 Ų46.811%0.11426%0.259CS..SBendtrans648.3178.9-60.1-69.3000116.3D38 N42 K45 N49 T50 P51 F67 E69D38-Y40 PolarHBondContact OD1-N 3.35Å; Y40-N42 PolarHBondContact O-N 2.81Å; Y40-K45 HydrophobicContact CD1-CB 3.65Å; Y40-K45 HydrophobicContact CD1-CG 4.26Å; Y40-K45 HydrophobicContact CD2-CD 3.92Å; Y40-K45 HydrophobicContact CD2-CG 4.45Å; Y40-K45 VanDerWaalsContact CE1-CA 3.47Å; Y40-K45 HydrophobicContact CE1-CB 3.62Å; Y40-K45 HydrophobicContact CE1-CD 4.37Å; Y40-K45 HydrophobicContact CE1-CG 3.86Å; Y40-K45 HydrophobicContact CE2-CB 4.48Å; Y40-K45 HydrophobicContact CE2-CD 3.75Å; Y40-K45 HydrophobicContact CE2-CG 4.07Å; Y40-K45 HydrophobicContact CG-CB 4.1Å; Y40-K45 HydrophobicContact CG-CD 4.29Å; Y40-N49 PolarHBondContact OH-O 3.33Å; Y40-N49 PolarHBondContact OH-OD1 3.09Å; Y40-T50 VanDerWaalsContact OH-CA 3.32Å; Y40-T50 WeakPolarHBondContact OH-CA 3.42Å; Y40-T50 PolarHBondContact OH-N 3.17Å; Y40-P51 HydrophobicContact CD1-CG 4.37Å; Y40-P51 HydrophobicContact CE1-CB 4.14Å; Y40-P51 HydrophobicContact CE1-CG 3.59Å; Y40-P51 WeakPolarHBondContact OH-CD 2.99Å; Y40-F67 HydrophobicContact CE1-CZ 4.34Å; Y40-F67 HydrophobicContact CE2-CE1 4.05Å; Y40-F67 HydrophobicContact CE2-CZ 4.02Å; Y40-F67 AromaticContact CZ-CE1 3.74Å; Y40-F67 AromaticContact CZ-CZ 3.68Å; Y40-F67 WeakPolarHBondContact OH-CE1 3.48Å; Y40-F67 WeakPolarHBondContact OH-CZ 3.41Å; Y40-E69 HydrophobicContact CD2-CG 3.84Å; Y40-E69 HydrophobicContact CE2-CB 4.03Å; Y40-E69 HydrophobicContact CE2-CG 3.71Å
41T94.6Very high94.1Very high74 Ų7443.6 Ų43.645%0.45424%0.244SC..THydrogen-bonded Turntrans-60-36.4-179.3-63.80000111.6N39 L96N39-T41 VanDerWaalsContact CG-OG1 3.26Å; N39-T41 PolarHBondContact ND2-OG1 2.99Å; N39-T41 VanDerWaalsContact ND2-OG1 3.13Å; N39-T41 PolarHBondContact O-N 3.24Å; N39-T41 VanDerWaalsContact O-N 3.09Å; N39-T41 VanDerWaalsContact OD1-CB 3.28Å; N39-T41 WeakPolarHBondContact OD1-CB 3.32Å; N39-T41 PolarHBondContact OD1-N 2.91Å; N39-T41 PolarHBondContact OD1-OG1 3.24Å; T41-L96 HydrophobicContact CG2-CD2 3.99Å
42N93.9Very high94.1Very high63 Ų6340.6 Ų40.634%0.33723%0.229SC..THydrogen-bonded Turntrans-13836.9179.1-164.137.3000113Y40 S208Y40-N42 PolarHBondContact O-N 2.81Å; N42-S208 PolarHBondContact OD1-N 3.06Å
43C93.4Very high94.1Very high8 Ų839.6 Ų39.65%0.05423%0.225CC..SBendtrans-145.2156.9167.773.90000110.6G16 D38G16-C43 VanDerWaalsContact O-CB 3.31Å; G16-C43 WeakPolarHBondContact O-CB 3.37Å; D38-C43 VanDerWaalsContact CG-SG 3.58Å; D38-C43 PolarHBondContact OD1-SG 3.38Å
44V94.4Very high94.1Very high21 Ų2136 Ų3613%0.12721%0.205CC..  trans-87.9123.2-175-178.40000110.6P51 V52 D206 Y350 R351V44-P51 CarbonylContact O-C 3.57Å; V44-P51 VanDerWaalsContact O-CA 3.3Å; V44-P51 WeakPolarHBondContact O-CA 3.46Å; V44-V52 HydrophobicContact CB-CG2 4.35Å; V44-V52 HydrophobicContact CG1-CG2 3.96Å; V44-V52 PolarHBondContact O-N 2.77Å; V44-D206 WeakPolarHBondContact CG2-OD2 3.45Å; V44-Y350 HydrophobicContact CG2-CD2 4.44Å; V44-R351 HydrophobicContact CG1-CG 4.27Å; V44-R351 HydrophobicContact CG2-CG 4.06Å
45K94.4Very high94Very high103 Ų10338 Ų3845%0.44822%0.22SC..BIsolated β-bridgetrans-69.9129.1173.7-174.3161.2171.2145.80110.3Y40 N49 E69Y40-K45 HydrophobicContact CD1-CB 3.65Å; Y40-K45 HydrophobicContact CD1-CG 4.26Å; Y40-K45 HydrophobicContact CD2-CD 3.92Å; Y40-K45 HydrophobicContact CD2-CG 4.45Å; Y40-K45 VanDerWaalsContact CE1-CA 3.47Å; Y40-K45 HydrophobicContact CE1-CB 3.62Å; Y40-K45 HydrophobicContact CE1-CD 4.37Å; Y40-K45 HydrophobicContact CE1-CG 3.86Å; Y40-K45 HydrophobicContact CE2-CB 4.48Å; Y40-K45 HydrophobicContact CE2-CD 3.75Å; Y40-K45 HydrophobicContact CE2-CG 4.07Å; Y40-K45 HydrophobicContact CG-CB 4.1Å; Y40-K45 HydrophobicContact CG-CD 4.29Å; K45-N49 WeakPolarHBondContact CE-OD1 3.48Å; K45-N49 PolarHBondContact NZ-OD1 3.37Å; K45-E69 IonicContact NZ-OE1 3.11Å; K45-E69 PolarHBondContact NZ-OE1 2.79Å; K45-E69 IonicContact NZ-OE2 2.87Å; K45-E69 PolarHBondContact NZ-OE2 2.89Å
46G91.5Very high93.9Very high13 Ų1340.5 Ų40.513%0.13423%0.229CC..  trans-102.8179.6176.600000113.5A48 N49 T50G46-A48 VanDerWaalsContact C-N 3.26Å; G46-A48 PolarHBondContact O-N 2.91Å; G46-A48 VanDerWaalsContact O-N 3.09Å; G46-N49 PolarHBondContact O-N 3.23Å; G46-T50 WeakPolarHBondContact CA-O 3.37Å; G46-T50 PolarHBondContact N-O 3.3Å
47D77.8Confident93.9Very high182 Ų18240.5 Ų40.597%0.97323%0.229SC*.THydrogen-bonded Turntrans-61.2-23-166.7-58-26.3000115.8
48A80.8Confident93.8Very high78 Ų7843.4 Ų43.465%0.64524%0.242SC*.THydrogen-bonded Turntrans-106.627.4-178.400000113.5G46 T50G46-A48 VanDerWaalsContact C-N 3.26Å; G46-A48 PolarHBondContact O-N 2.91Å; G46-A48 VanDerWaalsContact O-N 3.09Å; A48-T50 PolarHBondContact O-N 2.71Å; A48-T50 VanDerWaalsContact O-N 3.15Å; A48-T50 PolarHBondContact O-OG1 3.34Å
49N88.4Confident93.7Very high66 Ų6650.6 Ų50.635%0.35327%0.272SS..SBendtrans5233.4-170.8-162.124.6000113.3Y40 K45 G46 F67 E69Y40-N49 PolarHBondContact OH-O 3.33Å; Y40-N49 PolarHBondContact OH-OD1 3.09Å; K45-N49 WeakPolarHBondContact CE-OD1 3.48Å; K45-N49 PolarHBondContact NZ-OD1 3.37Å; G46-N49 PolarHBondContact O-N 3.23Å; N49-F67 WeakPolarHBondContact O-CD1 3.08Å; N49-F67 WeakPolarHBondContact O-CE1 3.41Å; N49-E69 PolarHBondContact ND2-OE2 2.9Å; N49-E69 PolarHBondContact OD1-OE2 3.38Å
50T94Very high93.8Very high20 Ų2051.2 Ų51.212%0.12328%0.275CS..SBendtrans-122140.7173.5-59.40000107.6Y40 G46 A48 V52 L54 F67Y40-T50 VanDerWaalsContact OH-CA 3.32Å; Y40-T50 WeakPolarHBondContact OH-CA 3.42Å; Y40-T50 PolarHBondContact OH-N 3.17Å; G46-T50 WeakPolarHBondContact CA-O 3.37Å; G46-T50 PolarHBondContact N-O 3.3Å; A48-T50 PolarHBondContact O-N 2.71Å; A48-T50 VanDerWaalsContact O-N 3.15Å; A48-T50 PolarHBondContact O-OG1 3.34Å; T50-V52 PolarHBondContact O-N 3.3Å; T50-L54 HydrophobicContact CG2-CB 3.78Å; T50-F67 HydrophobicContact CG2-CB 4.36Å; T50-F67 HydrophobicContact CG2-CG 4.37Å
51P96.6Very high93.7Very high0 Ų050.9 Ų50.90%028%0.277CS..BIsolated β-bridgetrans-52.2136.9174.7-2530.7000111.6D38 Y40 V44 S53 L54 S55 F67D38-P51 HydrophobicContact CB-CG 4.49Å; Y40-P51 HydrophobicContact CD1-CG 4.37Å; Y40-P51 HydrophobicContact CE1-CB 4.14Å; Y40-P51 HydrophobicContact CE1-CG 3.59Å; Y40-P51 WeakPolarHBondContact OH-CD 2.99Å; V44-P51 CarbonylContact O-C 3.57Å; V44-P51 VanDerWaalsContact O-CA 3.3Å; V44-P51 WeakPolarHBondContact O-CA 3.46Å; P51-S53 PolarHBondContact O-N 3.32Å; P51-L54 HydrophobicContact CB-CB 4.32Å; P51-L54 HydrophobicContact CB-CD1 4.45Å; P51-L54 HydrophobicContact CB-CG 4.15Å; P51-L54 HydrophobicContact CG-CD1 3.97Å; P51-L54 HydrophobicContact CG-CG 4.22Å; P51-L54 WeakPolarHBondContact O-CA 3.42Å; P51-L54 PolarHBondContact O-N 3.13Å; P51-S55 PolarHBondContact O-N 2.95Å; P51-F67 VanDerWaalsContact CD-CZ 3.48Å; P51-F67 HydrophobicContact CG-CD2 4.3Å; P51-F67 HydrophobicContact CG-CE2 3.65Å; P51-F67 HydrophobicContact CG-CZ 3.9Å
52V97Very high93.8Very high27 Ų2750.7 Ų50.716%0.16429%0.289CS..Hα-helixtrans-57-37.2179.9-179.50000110.8V44 T50 L54 S55 R56 Y350V44-V52 HydrophobicContact CB-CG2 4.35Å; V44-V52 HydrophobicContact CG1-CG2 3.96Å; V44-V52 PolarHBondContact O-N 2.77Å; T50-V52 PolarHBondContact O-N 3.3Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 2.86Å; V52-S55 PolarHBondContact O-N 3.2Å; V52-R56 WeakPolarHBondContact O-CG 3.44Å; V52-R56 PolarHBondContact O-N 2.91Å; V52-Y350 HydrophobicContact CB-CD1 4.02Å; V52-Y350 HydrophobicContact CB-CG 4.09Å; V52-Y350 HydrophobicContact CG1-CD1 3.59Å; V52-Y350 HydrophobicContact CG1-CE1 4.48Å; V52-Y350 HydrophobicContact CG1-CG 4.06Å
53S97.5Very high93.9Very high1 Ų150.8 Ų50.81%0.00729%0.287CS..Hα-helixtrans-55-47.5172.954.90000111.8G16 P51 R56 V57G16-S53 PolarHBondContact O-OG 2.99Å; P51-S53 PolarHBondContact O-N 3.32Å; S53-R56 PolarHBondContact O-N 3.39Å; S53-V57 VanDerWaalsContact O-CG2 3.31Å; S53-V57 WeakPolarHBondContact O-CG2 3.3Å; S53-V57 PolarHBondContact O-N 2.75Å
54L97.8Very high94Very high0 Ų055.4 Ų55.40%031%0.311CS..Hα-helixtrans-69.8-36.3178.5-67.4-171.7000112.9A15 V24 A36 T50 P51 V52 R56 V57 K58 L65 F67A15-L54 HydrophobicContact CB-CD1 4.03Å; A15-L54 WeakPolarHBondContact O-CD2 3.36Å; V24-L54 HydrophobicContact CB-CD2 4.11Å; V24-L54 HydrophobicContact CG1-CD2 4Å; V24-L54 HydrophobicContact CG2-CD2 4.13Å; A36-L54 HydrophobicContact CB-CD1 3.71Å; T50-L54 HydrophobicContact CG2-CB 3.78Å; P51-L54 HydrophobicContact CB-CB 4.32Å; P51-L54 HydrophobicContact CB-CD1 4.45Å; P51-L54 HydrophobicContact CB-CG 4.15Å; P51-L54 HydrophobicContact CG-CD1 3.97Å; P51-L54 HydrophobicContact CG-CG 4.22Å; P51-L54 WeakPolarHBondContact O-CA 3.42Å; P51-L54 PolarHBondContact O-N 3.13Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 2.86Å; L54-R56 VanDerWaalsContact C-N 3.28Å; L54-R56 PolarHBondContact O-N 3.43Å; L54-V57 WeakPolarHBondContact O-CB 3.18Å; L54-V57 PolarHBondContact O-N 3.14Å; L54-K58 WeakPolarHBondContact O-CG 3.37Å; L54-K58 PolarHBondContact O-N 3.33Å; L54-L65 HydrophobicContact CB-CD2 4.31Å; L54-L65 HydrophobicContact CD1-CD1 4.43Å; L54-L65 HydrophobicContact CD1-CD2 4.29Å; L54-L65 HydrophobicContact CD2-CD2 4.16Å; L54-L65 HydrophobicContact CG-CD2 4.49Å; L54-F67 HydrophobicContact CD1-CD2 3.85Å; L54-F67 HydrophobicContact CD1-CE2 4.31Å
55S96.9Very high94.1Very high49 Ų4955.3 Ų55.334%0.34331%0.31SS..Hα-helixtrans-59.9-40172-63.20000111.8P51 V52 K59P51-S55 PolarHBondContact O-N 2.95Å; V52-S55 PolarHBondContact O-N 3.2Å; S55-K59 PolarHBondContact O-N 3.13Å
56R96.8Very high94.3Very high58 Ų5853.1 Ų53.122%0.21931%0.305CS..Hα-helixtrans-72.1-35.5175.2-65.8-173.5-169-174.70.4112.1V52 S53 L54 K59 L60 E202 I203 S346V52-R56 WeakPolarHBondContact O-CG 3.44Å; V52-R56 PolarHBondContact O-N 2.91Å; S53-R56 PolarHBondContact O-N 3.39Å; L54-R56 VanDerWaalsContact C-N 3.28Å; L54-R56 PolarHBondContact O-N 3.43Å; R56-K59 PolarHBondContact O-N 3.02Å; R56-L60 WeakPolarHBondContact O-CG 3.29Å; R56-L60 PolarHBondContact O-N 3.39Å; R56-E202 WeakPolarHBondContact CD-O 3.37Å; R56-E202 PolarHBondContact NH1-O 2.84Å; R56-I203 HydrophobicContact CB-CG2 3.64Å; R56-S346 PolarHBondContact NH1-OG 3.41Å; R56-S346 VanDerWaalsContact NH1-OG 3.14Å
57V97.9Very high94.6Very high0 Ų054 Ų540%031%0.305CS..Hα-helixtrans-57.5-48.6170.6167.70000111.3S21 V24 L25 L28 S53 L54 K59 L60 C61 I203S21-V57 VanDerWaalsContact O-CG2 3.31Å; S21-V57 WeakPolarHBondContact O-CG2 3.48Å; V24-V57 HydrophobicContact CG1-CG1 3.94Å; L25-V57 HydrophobicContact CB-CG1 3.86Å; L25-V57 HydrophobicContact CB-CG2 4.16Å; L25-V57 HydrophobicContact CD1-CG1 4.05Å; L28-V57 HydrophobicContact CD1-CG1 3.92Å; S53-V57 VanDerWaalsContact O-CG2 3.31Å; S53-V57 WeakPolarHBondContact O-CG2 3.3Å; S53-V57 PolarHBondContact O-N 2.75Å; L54-V57 WeakPolarHBondContact O-CB 3.18Å; L54-V57 PolarHBondContact O-N 3.14Å; V57-K59 VanDerWaalsContact C-N 3.28Å; V57-K59 PolarHBondContact O-N 2.91Å; V57-L60 PolarHBondContact O-N 3.42Å; V57-L60 VanDerWaalsContact O-N 3.08Å; V57-C61 PolarHBondContact O-N 2.93Å; V57-C61 PolarHBondContact O-SG 3.31Å; V57-I203 HydrophobicContact CG2-CD1 3.88Å; V57-I203 HydrophobicContact CG2-CG2 4.31Å
58K96.7Very high95.5Very high63 Ų6347.3 Ų47.327%0.27427%0.267SS..Hα-helixtrans-54.8-44.5176.5-71.3174.953.9158.70111.9L54 G62 K63 D64 L65L54-K58 WeakPolarHBondContact O-CG 3.37Å; L54-K58 PolarHBondContact O-N 3.33Å; K58-G62 WeakPolarHBondContact O-CA 3.31Å; K58-G62 PolarHBondContact O-N 3.3Å; K58-K63 WeakPolarHBondContact CA-O 3.32Å; K58-K63 WeakPolarHBondContact CB-O 3.14Å; K58-K63 PolarHBondContact O-N 2.99Å; K58-D64 WeakPolarHBondContact CD-OD1 3.42Å; K58-D64 VanDerWaalsContact CE-CG 3.44Å; K58-D64 WeakPolarHBondContact CE-OD1 3.33Å; K58-D64 IonicContact NZ-OD1 3.89Å; K58-D64 PolarHBondContact NZ-OD1 2.89Å; K58-D64 IonicContact NZ-OD2 3.17Å; K58-D64 PolarHBondContact NZ-OD2 3.47Å; K58-L65 HydrophobicContact CD-CG 4.43Å; K58-L65 HydrophobicContact CG-CD2 4.5Å; K58-L65 HydrophobicContact CG-CG 4.37Å
59K96.1Very high96.3Very high161 Ų16147.9 Ų47.970%0.726%0.256SS*.Hα-helixtrans-63.9-41.5176.3-175-176.2175.8-170.50112.5S55 R56 V57S55-K59 PolarHBondContact O-N 3.13Å; R56-K59 PolarHBondContact O-N 3.02Å; V57-K59 VanDerWaalsContact C-N 3.28Å; V57-K59 PolarHBondContact O-N 2.91Å
60L97.3Very high96.8Very high59 Ų5945.5 Ų45.531%0.30924%0.244SC..Hα-helixtrans-67.3-41.1-178.4-75.3171.3000113L25 R56 V57 S200 E202 I203L25-L60 HydrophobicContact CD1-CB 3.88Å; L25-L60 HydrophobicContact CD2-CD1 4.01Å; R56-L60 WeakPolarHBondContact O-CG 3.29Å; R56-L60 PolarHBondContact O-N 3.39Å; V57-L60 PolarHBondContact O-N 3.42Å; V57-L60 VanDerWaalsContact O-N 3.08Å; L60-S200 WeakPolarHBondContact CD2-OG 2.96Å; L60-E202 HydrophobicContact CD1-CB 4.11Å; L60-E202 HydrophobicContact CD2-CB 4.13Å; L60-E202 HydrophobicContact CD2-CG 4.05Å; L60-E202 HydrophobicContact CG-CB 4.32Å; L60-I203 HydrophobicContact CD1-CD1 4.34Å; L60-I203 HydrophobicContact CD1-CG1 4.21Å; L60-I203 HydrophobicContact CD1-CG2 4.29Å
61C94.8Very high96.9Very high23 Ų2347.1 Ų47.116%0.15525%0.252CS..Hα-helixtrans-92-14.5-17962.90000114.2L25 L28 V57 K63L25-C61 HydrophobicContact CD1-CB 3.85Å; L28-C61 HydrophobicContact CB-CB 4.21Å; L28-C61 VanDerWaalsContact CD1-SG 3.58Å; V57-C61 PolarHBondContact O-N 2.93Å; V57-C61 PolarHBondContact O-SG 3.31Å; C61-K63 PolarHBondContact O-N 3.49Å; C61-K63 PolarHBondContact SG-N 2.98Å; C61-K63 VanDerWaalsContact SG-N 3.45Å
62G96.4Very high97Very high69 Ų6947.6 Ų47.671%0.71125%0.254SS*.THydrogen-bonded Turntrans67.620.5-174.400000113.7K58K58-G62 WeakPolarHBondContact O-CA 3.31Å; K58-G62 PolarHBondContact O-N 3.3Å
63K96.2Very high96.9Very high66 Ų6648.8 Ų48.829%0.28726%0.262SS..  trans-126.5160.4-179-63.2179.2-168.9174.40110.8L28 D31 K58 C61L28-K63 HydrophobicContact CB-CB 4.47Å; L28-K63 HydrophobicContact CD2-CB 4.46Å; L28-K63 WeakPolarHBondContact O-CD 3.44Å; L28-K63 WeakPolarHBondContact O-CE 3.32Å; L28-K63 PolarHBondContact O-NZ 3.49Å; D31-K63 WeakPolarHBondContact OD1-CE 3.33Å; D31-K63 IonicContact OD1-NZ 2.76Å; D31-K63 PolarHBondContact OD1-NZ 2.88Å; D31-K63 IonicContact OD2-NZ 3.5Å; D31-K63 PolarHBondContact OD2-NZ 3.22Å; K58-K63 WeakPolarHBondContact CA-O 3.32Å; K58-K63 WeakPolarHBondContact CB-O 3.14Å; K58-K63 PolarHBondContact O-N 2.99Å; C61-K63 PolarHBondContact O-N 3.49Å; C61-K63 PolarHBondContact SG-N 2.98Å; C61-K63 VanDerWaalsContact SG-N 3.45Å
64D95.5Very high96.9Very high105 Ų10552.4 Ų52.456%0.56128%0.281SS*.  trans-103.1165.7179.6-144.8-28.8000112L28 K58L28-D64 WeakPolarHBondContact CD2-O 3.36Å; K58-D64 WeakPolarHBondContact CD-OD1 3.42Å; K58-D64 VanDerWaalsContact CE-CG 3.44Å; K58-D64 WeakPolarHBondContact CE-OD1 3.33Å; K58-D64 IonicContact NZ-OD1 3.89Å; K58-D64 PolarHBondContact NZ-OD1 2.89Å; K58-D64 IonicContact NZ-OD2 3.17Å; K58-D64 PolarHBondContact NZ-OD2 3.47Å
65L96.6Very high96.7Very high18 Ų1854.9 Ų54.99%0.09429%0.293CS..  trans-140.4160.7173.963.580.2000109.7V24 L28 V34 A36 L54 K58 F67V24-L65 HydrophobicContact CG1-CD2 3.55Å; L28-L65 HydrophobicContact CD1-CD2 4.3Å; V34-L65 HydrophobicContact CB-CB 4.22Å; A36-L65 HydrophobicContact CB-CD1 3.88Å; L54-L65 HydrophobicContact CB-CD2 4.31Å; L54-L65 HydrophobicContact CD1-CD1 4.43Å; L54-L65 HydrophobicContact CD1-CD2 4.29Å; L54-L65 HydrophobicContact CD2-CD2 4.16Å; L54-L65 HydrophobicContact CG-CD2 4.49Å; K58-L65 HydrophobicContact CD-CG 4.43Å; K58-L65 HydrophobicContact CG-CD2 4.5Å; K58-L65 HydrophobicContact CG-CG 4.37Å; L65-F67 HydrophobicContact CD1-CB 3.9Å
66T97.1Very high96.7Very high58 Ų5856.2 Ų56.236%0.35630%0.298SS..EExtended strand (participates in β ladder)trans-92.6133.1168.6-58.10000109.3V34 I35 A36 Y68V34-T66 PolarHBondContact O-N 2.93Å; V34-T66 VanDerWaalsContact O-N 3.08Å; I35-T66 CarbonylContact C-O 3.56Å; A36-T66 PolarHBondContact N-O 2.91Å; T66-Y68 HydrophobicContact CG2-CD2 4.2Å; T66-Y68 HydrophobicContact CG2-CE2 3.44Å; T66-Y68 VanDerWaalsContact CG2-CE2 3.44Å
67F98.1Very high96.7Very high31 Ų3154.4 Ų54.414%0.13630%0.296CS..EExtended strand (participates in β ladder)trans-117.8138.8177.5177.8-98000112.3A36 D38 Y40 N49 T50 P51 L54 L65 E69A36-F67 HydrophobicContact CB-CD2 3.91Å; A36-F67 CarbonylContact O-C 3.59Å; A36-F67 WeakPolarHBondContact O-CA 3.2Å; D38-F67 HydrophobicContact CB-CE2 3.76Å; D38-F67 HydrophobicContact CB-CZ 4.07Å; Y40-F67 HydrophobicContact CE1-CZ 4.34Å; Y40-F67 HydrophobicContact CE2-CE1 4.05Å; Y40-F67 HydrophobicContact CE2-CZ 4.02Å; Y40-F67 AromaticContact CZ-CE1 3.74Å; Y40-F67 AromaticContact CZ-CZ 3.68Å; Y40-F67 WeakPolarHBondContact OH-CE1 3.48Å; Y40-F67 WeakPolarHBondContact OH-CZ 3.41Å; N49-F67 WeakPolarHBondContact O-CD1 3.08Å; N49-F67 WeakPolarHBondContact O-CE1 3.41Å; T50-F67 HydrophobicContact CG2-CB 4.36Å; T50-F67 HydrophobicContact CG2-CG 4.37Å; P51-F67 VanDerWaalsContact CD-CZ 3.48Å; P51-F67 HydrophobicContact CG-CD2 4.3Å; P51-F67 HydrophobicContact CG-CE2 3.65Å; P51-F67 HydrophobicContact CG-CZ 3.9Å; L54-F67 HydrophobicContact CD1-CD2 3.85Å; L54-F67 HydrophobicContact CD1-CE2 4.31Å; L65-F67 HydrophobicContact CD1-CB 3.9Å; F67-E69 HydrophobicContact CE1-CB 4.11Å
68Y97.9Very high96.7Very high42 Ų4254.4 Ų54.417%0.16530%0.296CS..EExtended strand (participates in β ladder)trans-126.1126.7171-64.9-82.4000111.2I35 A36 V37 D38 T66 T70 I81 R84 H85I35-Y68 HydrophobicContact CG2-CD2 3.83Å; I35-Y68 HydrophobicContact CG2-CE2 3.8Å; A36-Y68 PolarHBondContact O-N 3.19Å; V37-Y68 WeakPolarHBondContact CA-O 3.25Å; D38-Y68 PolarHBondContact N-O 2.94Å; T66-Y68 HydrophobicContact CG2-CD2 4.2Å; T66-Y68 HydrophobicContact CG2-CE2 3.44Å; T66-Y68 VanDerWaalsContact CG2-CE2 3.44Å; Y68-T70 PolarHBondContact O-N 2.59Å; Y68-I81 HydrophobicContact CD1-CD1 4.44Å; Y68-I81 HydrophobicContact CD1-CG1 4.03Å; Y68-I81 HydrophobicContact CD2-CB 4.49Å; Y68-I81 HydrophobicContact CD2-CD1 4.04Å; Y68-I81 HydrophobicContact CD2-CG1 3.92Å; Y68-I81 HydrophobicContact CD2-CG2 3.88Å; Y68-I81 HydrophobicContact CE1-CG1 4.46Å; Y68-I81 HydrophobicContact CE2-CG1 4.34Å; Y68-I81 HydrophobicContact CE2-CG2 3.9Å; Y68-I81 HydrophobicContact CG-CD1 3.79Å; Y68-I81 HydrophobicContact CG-CG1 3.76Å; Y68-R84 WeakPolarHBondContact OH-CD 3.39Å; Y68-H85 AromaticContact CE2-CD2 3.88Å; Y68-H85 AromaticContact CE2-NE2 3.4Å; Y68-H85 WeakPolarHBondContact CE2-NE2 3.33Å; Y68-H85 AromaticContact CZ-NE2 3.53Å; Y68-H85 PolarHBondContact OH-NE2 3.29Å
69E97.3Very high96.8Very high90 Ų9054.3 Ų54.342%0.42129%0.294SS..EExtended strand (participates in β ladder)trans-76.8103.1165.9-178.7172.7-173.200108.4D38 Y40 K45 N49 F67D38-E69 CarbonylContact O-C 3.58Å; D38-E69 VanDerWaalsContact O-CA 3.27Å; D38-E69 WeakPolarHBondContact O-CA 3.05Å; Y40-E69 HydrophobicContact CD2-CG 3.84Å; Y40-E69 HydrophobicContact CE2-CB 4.03Å; Y40-E69 HydrophobicContact CE2-CG 3.71Å; K45-E69 IonicContact NZ-OE1 3.11Å; K45-E69 PolarHBondContact NZ-OE1 2.79Å; K45-E69 IonicContact NZ-OE2 2.87Å; K45-E69 PolarHBondContact NZ-OE2 2.89Å; N49-E69 PolarHBondContact ND2-OE2 2.9Å; N49-E69 PolarHBondContact OD1-OE2 3.38Å; F67-E69 HydrophobicContact CE1-CB 4.11Å
70T97.5Very high96.9Very high15 Ų1552.1 Ų52.19%0.09228%0.284CS..  trans-151.9130.1-175.4-650000110.9V37 D38 Y68 A77 I81V37-T70 HydrophobicContact CG1-CG2 4.48Å; D38-T70 PolarHBondContact O-N 3.46Å; Y68-T70 PolarHBondContact O-N 2.59Å; T70-A77 HydrophobicContact CG2-CB 3.69Å; T70-I81 HydrophobicContact CG2-CD1 4.24Å
71N97.3Very high96.9Very high55 Ų5549.4 Ų49.429%0.29427%0.27SS..  trans-83.3135.2167.1-166.9-29.5000109.1N39 T73 D74N39-N71 HydrophobicContact CB-CB 4.25Å; N39-N71 PolarHBondContact ND2-ND2 3.31Å; N71-T73 PolarHBondContact O-N 3.45Å; N71-T73 PolarHBondContact OD1-N 3.11Å; N71-T73 PolarHBondContact OD1-OG1 3.49Å; N71-T73 VanDerWaalsContact OD1-OG1 3.1Å; N71-D74 WeakPolarHBondContact O-CB 3.27Å; N71-D74 PolarHBondContact O-N 3.37Å
72L97.5Very high97.1Very high9 Ų948.7 Ų48.75%0.04726%0.264CS..THydrogen-bonded Turntrans-66.5-17.4178.6-59.1-171.8000113.1T13 V37 D74 L78 H92 A94 N119 L120T13-L72 HydrophobicContact CG2-CD1 4.42Å; T13-L72 HydrophobicContact CG2-CD2 4.2Å; V37-L72 HydrophobicContact CG1-CD2 4.38Å; L72-D74 PolarHBondContact O-N 2.68Å; L72-L78 HydrophobicContact CD2-CD1 4.14Å; L72-L78 HydrophobicContact CD2-CD2 4.36Å; L72-H92 WeakPolarHBondContact CD1-CE1 3.39Å; L72-A94 HydrophobicContact CD1-CB 3.65Å; L72-A94 HydrophobicContact CG-CB 4.24Å; L72-N119 VanDerWaalsContact O-CB 3.25Å; L72-N119 WeakPolarHBondContact O-CB 3.32Å; L72-N119 PolarHBondContact O-ND2 3.07Å; L72-L120 HydrophobicContact CD1-CD2 4.49Å
73T95.5Very high97.2Very high53 Ų5350.5 Ų50.533%0.32526%0.258SS..THydrogen-bonded Turntrans-71.8-16.2171.161.70000112.9N71 E75 E111 N119N71-T73 PolarHBondContact O-N 3.45Å; N71-T73 PolarHBondContact OD1-N 3.11Å; N71-T73 PolarHBondContact OD1-OG1 3.49Å; N71-T73 VanDerWaalsContact OD1-OG1 3.1Å; T73-E75 PolarHBondContact O-N 3.44Å; T73-E111 HydrophobicContact CG2-CG 4.29Å; T73-N119 WeakPolarHBondContact CA-ND2 3.47Å; T73-N119 PolarHBondContact O-ND2 3.37Å
74D97Very high97.2Very high76 Ų7655.6 Ų55.641%0.40628%0.275SS..  trans-91.585.9172.4-173.1-14.8000110.7N71 L72 V76 A77 L78N71-D74 WeakPolarHBondContact O-CB 3.27Å; N71-D74 PolarHBondContact O-N 3.37Å; L72-D74 PolarHBondContact O-N 2.68Å; D74-V76 PolarHBondContact O-N 2.99Å; D74-V76 PolarHBondContact OD1-N 3.04Å; D74-V76 VanDerWaalsContact OD1-N 3.11Å; D74-A77 HydrophobicContact CB-CB 3.99Å; D74-A77 VanDerWaalsContact CG-CB 3.4Å; D74-A77 PolarHBondContact O-N 2.9Å; D74-A77 PolarHBondContact OD1-N 2.92Å; D74-A77 WeakPolarHBondContact OD2-CB 3.48Å; D74-L78 PolarHBondContact O-N 3.34Å
75E95Very high97.4Very high53 Ų5352.9 Ų52.925%0.24826%0.259CS..Hα-helixtrans-59.9-29.4178.8-162.7-145.2156.400112.6T73 R79 V123T73-E75 PolarHBondContact O-N 3.44Å; E75-R79 VanDerWaalsContact CD-NH1 3.27Å; E75-R79 WeakPolarHBondContact O-CB 3.22Å; E75-R79 VanDerWaalsContact O-CG 3.3Å; E75-R79 WeakPolarHBondContact O-CG 3.41Å; E75-R79 PolarHBondContact O-N 3.16Å; E75-R79 PolarHBondContact O-NE 2.94Å; E75-R79 IonicContact OE1-CZ 3.37Å; E75-R79 IonicContact OE1-NE 3.87Å; E75-R79 IonicContact OE1-NH1 2.82Å; E75-R79 PolarHBondContact OE1-NH1 2.77Å; E75-R79 IonicContact OE1-NH2 3.15Å; E75-R79 PolarHBondContact OE1-NH2 2.83Å; E75-R79 IonicContact OE2-CZ 3.38Å; E75-R79 VanDerWaalsContact OE2-CZ 3.31Å; E75-R79 IonicContact OE2-NH1 3.74Å; E75-R79 PolarHBondContact OE2-NH1 3.38Å; E75-R79 IonicContact OE2-NH2 2.68Å; E75-R79 PolarHBondContact OE2-NH2 3.35Å; E75-V123 HydrophobicContact CG-CG2 3.93Å
76V96.7Very high97.4Very high76 Ų7659.7 Ų59.746%0.46129%0.29SS..Hα-helixtrans-72.2-45178.9175.90000110.4D74 L78 R79 K80D74-V76 PolarHBondContact O-N 2.99Å; D74-V76 PolarHBondContact OD1-N 3.04Å; D74-V76 VanDerWaalsContact OD1-N 3.11Å; V76-L78 VanDerWaalsContact C-N 3.33Å; V76-R79 PolarHBondContact O-N 2.64Å; V76-K80 WeakPolarHBondContact O-CG 3.46Å; V76-K80 PolarHBondContact O-N 2.84Å
77A97.3Very high97.4Very high20 Ų2057.4 Ų57.417%0.16528%0.276CS..Hα-helixtrans-62.9-41.6173.900000111.5T70 D74 R79 K80 I81T70-A77 HydrophobicContact CG2-CB 3.69Å; D74-A77 HydrophobicContact CB-CB 3.99Å; D74-A77 VanDerWaalsContact CG-CB 3.4Å; D74-A77 PolarHBondContact O-N 2.9Å; D74-A77 PolarHBondContact OD1-N 2.92Å; D74-A77 WeakPolarHBondContact OD2-CB 3.48Å; A77-R79 PolarHBondContact O-N 2.83Å; A77-K80 WeakPolarHBondContact O-CB 3.3Å; A77-K80 PolarHBondContact O-N 2.74Å; A77-I81 PolarHBondContact O-N 3.09Å
78L97.5Very high97.4Very high0 Ų058.1 Ų58.10%028%0.281CS..Hα-helixtrans-62.3-44.6178.2-170.658000112.2L72 D74 V76 K80 I81 F82 L120 V123L72-L78 HydrophobicContact CD2-CD1 4.14Å; L72-L78 HydrophobicContact CD2-CD2 4.36Å; D74-L78 PolarHBondContact O-N 3.34Å; V76-L78 VanDerWaalsContact C-N 3.33Å; L78-K80 VanDerWaalsContact C-N 3.31Å; L78-K80 PolarHBondContact O-N 3.34Å; L78-I81 HydrophobicContact CD1-CD1 4.42Å; L78-I81 WeakPolarHBondContact O-CB 3.2Å; L78-I81 PolarHBondContact O-N 3.27Å; L78-F82 HydrophobicContact CD1-CD2 4.42Å; L78-F82 HydrophobicContact CD1-CE2 4.01Å; L78-F82 HydrophobicContact CG-CD2 4.44Å; L78-F82 HydrophobicContact CG-CE2 4.19Å; L78-F82 WeakPolarHBondContact O-CD2 3.46Å; L78-F82 PolarHBondContact O-N 3.44Å; L78-L120 HydrophobicContact CD1-CD1 4.45Å; L78-L120 HydrophobicContact CD2-CB 4.14Å; L78-L120 HydrophobicContact CD2-CD1 4.02Å; L78-V123 HydrophobicContact CB-CG2 4.4Å; L78-V123 HydrophobicContact CD2-CB 4.27Å; L78-V123 HydrophobicContact CD2-CG2 4.04Å; L78-V123 HydrophobicContact CG-CB 4.35Å; L78-V123 HydrophobicContact CG-CG1 4.35Å; L78-V123 HydrophobicContact CG-CG2 4.16Å
79R97.7Very high97.5Very high61 Ų6156.1 Ų56.123%0.2327%0.273CS..Hα-helixtrans-57-41.3175.1-78.1-179.7-76.7-146.2-1.2113E75 V76 A77 I81 F82 D83 V123 Y127E75-R79 VanDerWaalsContact CD-NH1 3.27Å; E75-R79 WeakPolarHBondContact O-CB 3.22Å; E75-R79 VanDerWaalsContact O-CG 3.3Å; E75-R79 WeakPolarHBondContact O-CG 3.41Å; E75-R79 PolarHBondContact O-N 3.16Å; E75-R79 PolarHBondContact O-NE 2.94Å; E75-R79 IonicContact OE1-CZ 3.37Å; E75-R79 IonicContact OE1-NE 3.87Å; E75-R79 IonicContact OE1-NH1 2.82Å; E75-R79 PolarHBondContact OE1-NH1 2.77Å; E75-R79 IonicContact OE1-NH2 3.15Å; E75-R79 PolarHBondContact OE1-NH2 2.83Å; E75-R79 IonicContact OE2-CZ 3.38Å; E75-R79 VanDerWaalsContact OE2-CZ 3.31Å; E75-R79 IonicContact OE2-NH1 3.74Å; E75-R79 PolarHBondContact OE2-NH1 3.38Å; E75-R79 IonicContact OE2-NH2 2.68Å; E75-R79 PolarHBondContact OE2-NH2 3.35Å; V76-R79 PolarHBondContact O-N 2.64Å; A77-R79 PolarHBondContact O-N 2.83Å; R79-I81 PolarHBondContact O-N 2.93Å; R79-I81 VanDerWaalsContact O-N 3.15Å; R79-F82 PolarHBondContact O-N 3.06Å; R79-F82 VanDerWaalsContact O-N 3.08Å; R79-D83 PolarHBondContact O-N 3.4Å; R79-V123 HydrophobicContact CG-CG1 4.08Å; R79-V123 HydrophobicContact CG-CG2 3.69Å; R79-Y127 HydrophobicContact CG-CE2 4.37Å
80K98.1Very high97.5Very high116 Ų11651.8 Ų51.850%0.50425%0.253SS..Hα-helixtrans-60.5-25.2177.6-70.1171.6-176.9171.30113.3V76 A77 L78 R84V76-K80 WeakPolarHBondContact O-CG 3.46Å; V76-K80 PolarHBondContact O-N 2.84Å; A77-K80 WeakPolarHBondContact O-CB 3.3Å; A77-K80 PolarHBondContact O-N 2.74Å; L78-K80 VanDerWaalsContact C-N 3.31Å; L78-K80 PolarHBondContact O-N 3.34Å; K80-R84 WeakPolarHBondContact O-CD 3.46Å; K80-R84 VanDerWaalsContact O-CG 3.28Å; K80-R84 WeakPolarHBondContact O-CG 3.48Å
81I98.4Very high97.6Very high2 Ų251.1 Ų51.11%0.0125%0.249CC..Hα-helixtrans-74.5-48.2175.1-59.5172.6000109.3L11 I35 V37 Y68 T70 A77 L78 R79 D83 R84 H85L11-I81 HydrophobicContact CD1-CG2 4.14Å; I35-I81 HydrophobicContact CG2-CG2 3.97Å; V37-I81 HydrophobicContact CG2-CD1 3.7Å; Y68-I81 HydrophobicContact CD1-CD1 4.44Å; Y68-I81 HydrophobicContact CD1-CG1 4.03Å; Y68-I81 HydrophobicContact CD2-CB 4.49Å; Y68-I81 HydrophobicContact CD2-CD1 4.04Å; Y68-I81 HydrophobicContact CD2-CG1 3.92Å; Y68-I81 HydrophobicContact CD2-CG2 3.88Å; Y68-I81 HydrophobicContact CE1-CG1 4.46Å; Y68-I81 HydrophobicContact CE2-CG1 4.34Å; Y68-I81 HydrophobicContact CE2-CG2 3.9Å; Y68-I81 HydrophobicContact CG-CD1 3.79Å; Y68-I81 HydrophobicContact CG-CG1 3.76Å; T70-I81 HydrophobicContact CG2-CD1 4.24Å; A77-I81 PolarHBondContact O-N 3.09Å; L78-I81 HydrophobicContact CD1-CD1 4.42Å; L78-I81 WeakPolarHBondContact O-CB 3.2Å; L78-I81 PolarHBondContact O-N 3.27Å; R79-I81 PolarHBondContact O-N 2.93Å; R79-I81 VanDerWaalsContact O-N 3.15Å; I81-D83 VanDerWaalsContact C-N 3.29Å; I81-D83 PolarHBondContact O-N 3.49Å; I81-R84 PolarHBondContact O-N 3.23Å; I81-H85 PolarHBondContact O-CD2 3.16Å; I81-H85 PolarHBondContact O-N 3.49Å
82F98.4Very high97.7Very high7 Ų748.6 Ų48.63%0.03124%0.235CC..Hα-helixtrans-64.6-30.8177.3-78.4-105.6000112.7L11 L78 R79 R84 H85 I87 V90 L120 V123 M124 Y127 V129L11-F82 HydrophobicContact CD2-CE2 3.69Å; L11-F82 HydrophobicContact CD2-CZ 3.8Å; L78-F82 HydrophobicContact CD1-CD2 4.42Å; L78-F82 HydrophobicContact CD1-CE2 4.01Å; L78-F82 HydrophobicContact CG-CD2 4.44Å; L78-F82 HydrophobicContact CG-CE2 4.19Å; L78-F82 WeakPolarHBondContact O-CD2 3.46Å; L78-F82 PolarHBondContact O-N 3.44Å; R79-F82 PolarHBondContact O-N 3.06Å; R79-F82 VanDerWaalsContact O-N 3.08Å; F82-R84 PolarHBondContact O-N 2.89Å; F82-H85 VanDerWaalsContact O-O 3.08Å; F82-I87 HydrophobicContact CD1-CD1 3.77Å; F82-I87 HydrophobicContact CD2-CD1 4.09Å; F82-I87 HydrophobicContact CE1-CD1 3.81Å; F82-I87 HydrophobicContact CE2-CD1 4.14Å; F82-I87 HydrophobicContact CG-CD1 3.93Å; F82-I87 HydrophobicContact CZ-CD1 4Å; F82-V90 HydrophobicContact CZ-CG2 4.33Å; F82-L120 HydrophobicContact CE2-CD1 4.37Å; F82-L120 HydrophobicContact CZ-CD1 4.29Å; F82-V123 HydrophobicContact CB-CG1 4.03Å; F82-V123 HydrophobicContact CD1-CG1 4.08Å; F82-V123 HydrophobicContact CD2-CG1 3.36Å; F82-V123 HydrophobicContact CE1-CG1 4.39Å; F82-V123 HydrophobicContact CE2-CB 4.49Å; F82-V123 HydrophobicContact CE2-CG1 3.71Å; F82-V123 HydrophobicContact CG-CG1 3.56Å; F82-V123 HydrophobicContact CZ-CG1 4.22Å; F82-M124 HydrophobicContact CE1-CG 3.98Å; F82-M124 HydrophobicContact CZ-CG 3.76Å; F82-Y127 HydrophobicContact CB-CD1 3.8Å; F82-Y127 HydrophobicContact CB-CD2 3.63Å; F82-Y127 HydrophobicContact CB-CE1 3.86Å; F82-Y127 HydrophobicContact CB-CE2 3.7Å; F82-Y127 HydrophobicContact CB-CG 3.7Å; F82-Y127 HydrophobicContact CD1-CD2 4.12Å; F82-Y127 HydrophobicContact CD1-CG 4.03Å; F82-Y127 HydrophobicContact CG-CD2 4.13Å; F82-Y127 HydrophobicContact CG-CG 4.28Å; F82-V129 HydrophobicContact CD1-CG2 4.27Å; F82-V129 HydrophobicContact CE1-CB 4.37Å; F82-V129 HydrophobicContact CE1-CG2 3.96Å
83D98.1Very high97.7Very high108 Ų10849.3 Ų49.358%0.57824%0.238SC*.THydrogen-bonded Turntrans-61.8-27.7171.5-74.1-37000113.3R79 I81 Y127R79-D83 PolarHBondContact O-N 3.4Å; I81-D83 VanDerWaalsContact C-N 3.29Å; I81-D83 PolarHBondContact O-N 3.49Å; D83-Y127 WeakPolarHBondContact OD1-CE1 3.37Å; D83-Y127 VanDerWaalsContact OD1-CZ 3.29Å; D83-Y127 PolarHBondContact OD1-OH 2.96Å
84R98Very high97.8Very high172 Ų17247.9 Ų47.965%0.64923%0.231SC*.THydrogen-bonded Turntrans-96.3-18.5-173.1-70.5175.9-174.4-155.53.6113.6Y68 K80 I81 F82Y68-R84 WeakPolarHBondContact OH-CD 3.39Å; K80-R84 WeakPolarHBondContact O-CD 3.46Å; K80-R84 VanDerWaalsContact O-CG 3.28Å; K80-R84 WeakPolarHBondContact O-CG 3.48Å; I81-R84 PolarHBondContact O-N 3.23Å; F82-R84 PolarHBondContact O-N 2.89Å
85H97.7Very high97.8Very high48 Ų4845.6 Ų45.622%0.22223%0.226CC..  trans-136132.4-169.5-62.5-76.6000110.7I35 Y68 I81 F82 I87I35-H85 HydrophobicContact CD1-CB 4.38Å; I35-H85 HydrophobicContact CG1-CB 4.28Å; Y68-H85 AromaticContact CE2-CD2 3.88Å; Y68-H85 AromaticContact CE2-NE2 3.4Å; Y68-H85 WeakPolarHBondContact CE2-NE2 3.33Å; Y68-H85 AromaticContact CZ-NE2 3.53Å; Y68-H85 PolarHBondContact OH-NE2 3.29Å; I81-H85 PolarHBondContact O-CD2 3.16Å; I81-H85 PolarHBondContact O-N 3.49Å; F82-H85 VanDerWaalsContact O-O 3.08Å; H85-I87 HydrophobicContact CB-CD1 4.42Å; H85-I87 HydrophobicContact CB-CG1 4.03Å; H85-I87 PolarHBondContact O-N 2.89Å
86Q96.5Very high97.8Very high162 Ų16244 Ų4476%0.75722%0.219SC*.  trans-75.4113.7160.9-175.8174.94.900107.8S9S9-Q86 WeakPolarHBondContact CB-O 3.3Å; S9-Q86 PolarHBondContact OG-O 3.21Å
87I98.3Very high97.7Very high10 Ų1043.8 Ų43.85%0.05121%0.212CC..  trans-107.7125.6-176.5-65.9161.7000108.7L11 I35 F82 H85 V90 V129L11-I87 HydrophobicContact CB-CD1 4.13Å; L11-I87 HydrophobicContact CB-CG1 4.4Å; L11-I87 HydrophobicContact CB-CG2 3.82Å; L11-I87 HydrophobicContact CD1-CD1 4.36Å; L11-I87 HydrophobicContact CD2-CD1 4.16Å; L11-I87 HydrophobicContact CG-CD1 4.45Å; I35-I87 HydrophobicContact CD1-CG1 4.42Å; F82-I87 HydrophobicContact CD1-CD1 3.77Å; F82-I87 HydrophobicContact CD2-CD1 4.09Å; F82-I87 HydrophobicContact CE1-CD1 3.81Å; F82-I87 HydrophobicContact CE2-CD1 4.14Å; F82-I87 HydrophobicContact CG-CD1 3.93Å; F82-I87 HydrophobicContact CZ-CD1 4Å; H85-I87 HydrophobicContact CB-CD1 4.42Å; H85-I87 HydrophobicContact CB-CG1 4.03Å; H85-I87 PolarHBondContact O-N 2.89Å; I87-V90 HydrophobicContact CG2-CG2 4.15Å; I87-V129 HydrophobicContact CB-CG2 4.36Å; I87-V129 HydrophobicContact CG2-CG1 4.19Å; I87-V129 WeakPolarHBondContact O-CG2 3.34Å
88D98.2Very high97.3Very high45 Ų4543.3 Ų43.324%0.24121%0.208CC..SBendtrans-93.9-27.2-179.1-60.8-73.5000112.7S8 S9 N131 F265S8-D88 WeakPolarHBondContact CA-OD2 3.47Å; S9-D88 PolarHBondContact N-OD2 3.37Å; S9-D88 PolarHBondContact O-N 2.82Å; D88-N131 WeakPolarHBondContact O-CB 3.5Å; D88-N131 PolarHBondContact O-ND2 2.97Å; D88-F265 HydrophobicContact CB-CE1 4.26Å
89C98.6Very high96.9Very high0 Ų044.9 Ų44.90%022%0.218CC..EExtended strand (participates in β ladder)trans-155.4145.7178.5-177.70000111.1S9 I10 L11 N131 L261 I264 F265S9-C89 PolarHBondContact O-N 3.31Å; I10-C89 WeakPolarHBondContact CA-O 3.23Å; I10-C89 HydrophobicContact CD1-CB 3.82Å; L11-C89 PolarHBondContact N-O 3.05Å; C89-N131 WeakPolarHBondContact CA-O 3.43Å; C89-N131 HydrophobicContact CB-CB 3.99Å; C89-L261 HydrophobicContact CB-CD2 4.23Å; C89-I264 HydrophobicContact CB-CG2 4.47Å; C89-F265 HydrophobicContact CB-CE1 4.39Å; C89-F265 HydrophobicContact CB-CZ 4.43Å
90V98.9Very high96.3Very high0 Ų043.4 Ų43.40%022%0.221CC..EExtended strand (participates in β ladder)trans-105.9129171.1-177.20000110.4L11 T13 F82 I87 L120 M124 V129 N131 I132 I133L11-V90 HydrophobicContact CB-CG1 4.5Å; L11-V90 HydrophobicContact CB-CG2 4.14Å; L11-V90 HydrophobicContact CD2-CG1 4.2Å; L11-V90 HydrophobicContact CD2-CG2 4.03Å; L11-V90 CarbonylContact O-C 3.56Å; L11-V90 WeakPolarHBondContact O-CA 3.06Å; T13-V90 HydrophobicContact CG2-CG1 4.28Å; F82-V90 HydrophobicContact CZ-CG2 4.33Å; I87-V90 HydrophobicContact CG2-CG2 4.15Å; V90-L120 HydrophobicContact CG1-CD1 4.27Å; V90-L120 HydrophobicContact CG1-CD2 4.01Å; V90-M124 HydrophobicContact CB-CE 3.97Å; V90-M124 HydrophobicContact CB-SD 3.93Å; V90-M124 HydrophobicContact CG1-SD 4.39Å; V90-M124 HydrophobicContact CG2-CE 3.58Å; V90-M124 HydrophobicContact CG2-CG 4.01Å; V90-M124 HydrophobicContact CG2-SD 3.55Å; V90-M124 VanDerWaalsContact CG2-SD 3.55Å; V90-V129 HydrophobicContact CG2-CG1 4.41Å; V90-N131 PolarHBondContact N-O 3.48Å; V90-I132 HydrophobicContact CB-CG1 4.4Å; V90-I132 CarbonylContact O-C 3.56Å; V90-I132 WeakPolarHBondContact O-CA 3.4Å; V90-I133 PolarHBondContact O-N 2.86Å
91M98.8Very high96Very high0 Ų041 Ų410%021%0.212CC..EExtended strand (participates in β ladder)trans-105.1110.4165.2-62.3-169.1178.900109.4I10 L11 V12 T13 V23 L27 F93 I133 H257 L261I10-M91 HydrophobicContact CG2-CE 4.23Å; I10-M91 HydrophobicContact CG2-CG 3.8Å; I10-M91 HydrophobicContact CG2-SD 4.2Å; L11-M91 PolarHBondContact O-N 3.11Å; V12-M91 WeakPolarHBondContact CA-O 3.46Å; V12-M91 HydrophobicContact CG2-CB 4.43Å; T13-M91 PolarHBondContact N-O 2.91Å; V23-M91 HydrophobicContact CG1-SD 3.53Å; V23-M91 VanDerWaalsContact CG1-SD 3.53Å; L27-M91 HydrophobicContact CD1-CE 4.33Å; L27-M91 HydrophobicContact CD1-SD 4.01Å; L27-M91 HydrophobicContact CD2-CE 3.88Å; M91-F93 HydrophobicContact CB-CD2 4.39Å; M91-F93 HydrophobicContact CB-CE2 3.65Å; M91-F93 HydrophobicContact CB-CZ 4.42Å; M91-I133 WeakPolarHBondContact CA-O 3.36Å; M91-I133 HydrophobicContact CE-CD1 3.69Å; M91-I133 HydrophobicContact CG-CB 4.22Å; M91-I133 HydrophobicContact CG-CD1 4.06Å; M91-I133 HydrophobicContact SD-CD1 4.48Å; M91-H257 HydrophobicContact CE-CB 4.46Å; M91-H257 HydrophobicContact SD-CB 4.26Å; M91-L261 HydrophobicContact CE-CD1 3.54Å; M91-L261 HydrophobicContact CE-CD2 3.65Å; M91-L261 HydrophobicContact CE-CG 3.46Å; M91-L261 VanDerWaalsContact CE-CG 3.46Å
92H98.8Very high95.7Very high2 Ų240.9 Ų40.91%0.00921%0.211CC..EExtended strand (participates in β ladder)trans-99.8101.9-168.6-175.732.4000111.4T13 L72 A94 T117 L120 I132 I133 F134 S135T13-H92 PolarHBondContact OG1-ND1 3.22Å; L72-H92 WeakPolarHBondContact CD1-CE1 3.39Å; H92-A94 PolarHBondContact CE1-O 3.44Å; H92-A94 VanDerWaalsContact CE1-O 3.27Å; H92-T117 PolarHBondContact NE2-OG1 3.02Å; H92-L120 HydrophobicContact CB-CD2 4.18Å; H92-I132 HydrophobicContact CB-CD1 4.32Å; H92-I133 PolarHBondContact N-O 3.28Å; H92-F134 HydrophobicContact CB-CD2 4.3Å; H92-F134 AromaticContact CD2-CD2 3.58Å; H92-F134 AromaticContact CD2-CE2 3.73Å; H92-S135 WeakPolarHBondContact O-CB 3.32Å; H92-S135 PolarHBondContact O-N 2.78Å; H92-S135 VanDerWaalsContact O-N 3.07Å; H92-S135 PolarHBondContact O-OG 3.08Å
93F98.6Very high95.5Very high25 Ų2543.7 Ų43.711%0.1123%0.226CC..  trans-107.3-24.7174.1-54.2-99.1000113.8V12 T13 V19 V23 M91 G95 S135 H257V12-F93 HydrophobicContact CG1-CD2 3.71Å; V12-F93 HydrophobicContact CG1-CE2 3.7Å; T13-F93 WeakPolarHBondContact O-CA 3.07Å; T13-F93 WeakPolarHBondContact O-CB 3.44Å; T13-F93 WeakPolarHBondContact O-CD2 3.26Å; T13-F93 PolarHBondContact O-N 3.11Å; T13-F93 PolarHBondContact OG1-N 3.42Å; V19-F93 HydrophobicContact CB-CD1 4.21Å; V19-F93 HydrophobicContact CB-CE1 4.22Å; V19-F93 HydrophobicContact CG1-CD1 4.1Å; V19-F93 HydrophobicContact CG1-CE1 3.63Å; V23-F93 HydrophobicContact CB-CE2 4.34Å; V23-F93 HydrophobicContact CB-CZ 3.83Å; V23-F93 HydrophobicContact CG1-CE2 4.13Å; V23-F93 HydrophobicContact CG1-CZ 3.83Å; V23-F93 HydrophobicContact CG2-CE1 4.01Å; V23-F93 HydrophobicContact CG2-CZ 3.6Å; M91-F93 HydrophobicContact CB-CD2 4.39Å; M91-F93 HydrophobicContact CB-CE2 3.65Å; M91-F93 HydrophobicContact CB-CZ 4.42Å; F93-G95 PolarHBondContact O-N 3.05Å; F93-S135 WeakPolarHBondContact CD1-OG 3.46Å; F93-S135 WeakPolarHBondContact CE1-OG 3.32Å; F93-H257 AromaticContact CE1-CD2 3.6Å; F93-H257 AromaticContact CE1-CE1 3.83Å; F93-H257 AromaticContact CE1-NE2 2.99Å; F93-H257 WeakPolarHBondContact CE1-NE2 3.49Å; F93-H257 AromaticContact CZ-CD2 3.23Å; F93-H257 WeakPolarHBondContact CZ-CD2 3.42Å; F93-H257 AromaticContact CZ-NE2 3.2Å; F93-H257 WeakPolarHBondContact CZ-NE2 3.31Å
94A97.9Very high95.3Very high22 Ų2245.8 Ų45.818%0.18223%0.232CC..  trans-53.4124.6-176.600000110.8T13 L72 H92T13-A94 PolarHBondContact O-N 2.97Å; T13-A94 WeakPolarHBondContact OG1-CB 3.47Å; T13-A94 PolarHBondContact OG1-N 3.29Å; L72-A94 HydrophobicContact CD1-CB 3.65Å; L72-A94 HydrophobicContact CG-CB 4.24Å; H92-A94 PolarHBondContact CE1-O 3.44Å; H92-A94 VanDerWaalsContact CE1-O 3.27Å
95G96.4Very high95.1Very high29 Ų2941.7 Ų41.730%0.29922%0.221SC..SBendtrans170.1145.6-174.600000111.1F93 N112 N113F93-G95 PolarHBondContact O-N 3.05Å; G95-N112 WeakPolarHBondContact CA-ND2 3.34Å; G95-N113 WeakPolarHBondContact CA-OD1 3.42Å
96L95.2Very high95.1Very high20 Ų2041.7 Ų41.711%0.10523%0.226CC..  trans-74.8139.1165.8-57.7-179.9000108.8T41 Q108 Y109 N112 N113 Y163T41-L96 HydrophobicContact CG2-CD2 3.99Å; L96-Q108 HydrophobicContact CD1-CG 3.79Å; L96-Y109 HydrophobicContact CB-CD1 3.9Å; L96-Y109 HydrophobicContact CB-CD2 4.26Å; L96-Y109 HydrophobicContact CB-CE1 3.52Å; L96-Y109 HydrophobicContact CB-CE2 3.91Å; L96-Y109 HydrophobicContact CB-CG 4.25Å; L96-Y109 HydrophobicContact CD1-CD2 4Å; L96-Y109 HydrophobicContact CD1-CE2 3.95Å; L96-Y109 HydrophobicContact CD1-CG 4.49Å; L96-Y109 WeakPolarHBondContact O-CE1 3.4Å; L96-N112 HydrophobicContact CD1-CB 4.15Å; L96-N112 HydrophobicContact CG-CB 4.12Å; L96-N112 PolarHBondContact N-ND2 2.59Å; L96-N113 PolarHBondContact N-OD1 3.38Å; L96-N113 PolarHBondContact O-ND2 3.49Å; L96-Y163 WeakPolarHBondContact O-CD2 3.4Å
97K93.6Very high95.2Very high70 Ų7039.3 Ų39.330%0.30422%0.222SC..  trans-127.5-4.2-166.671.6168.9-173.91680116.2V99 Y163 E205K97-V99 PolarHBondContact O-N 3.48Å; K97-Y163 HydrophobicContact CB-CE2 4.07Å; K97-E205 IonicContact NZ-OE1 3.38Å; K97-E205 PolarHBondContact NZ-OE1 3.27Å
98A89.8Confident95.1Very high10 Ų1042.6 Ų42.68%0.08324%0.237CC..  trans-84.8110.5-175.100000111.5G100 E101 S102 Y109 N212A98-G100 PolarHBondContact O-N 3.26Å; A98-E101 HydrophobicContact CB-CB 3.85Å; A98-E101 PolarHBondContact O-N 2.94Å; A98-S102 WeakPolarHBondContact O-CB 3.27Å; A98-S102 PolarHBondContact O-N 3.27Å; A98-Y109 WeakPolarHBondContact CA-OH 3.27Å; A98-Y109 VanDerWaalsContact CB-OH 3.32Å; A98-Y109 WeakPolarHBondContact CB-OH 3.45Å; A98-Y109 PolarHBondContact N-OH 3.2Å; A98-Y109 PolarHBondContact O-OH 2.9Å; A98-N212 HydrophobicContact CB-CB 4.24Å; A98-N212 WeakPolarHBondContact CB-ND2 3.48Å
99V88.5Confident95.1Very high34 Ų3440.5 Ų40.521%0.20623%0.226CC..Hα-helixtrans-52.8-49.8179.9167.40000112.2K97 S102 I103 N161 Y163K97-V99 PolarHBondContact O-N 3.48Å; V99-S102 PolarHBondContact O-N 3.07Å; V99-S102 PolarHBondContact O-OG 3.37Å; V99-I103 PolarHBondContact O-N 3.37Å; V99-N161 HydrophobicContact CG1-CB 3.87Å; V99-Y163 HydrophobicContact CG2-CD1 3.77Å; V99-Y163 HydrophobicContact CG2-CE1 4.43Å
100G86.2Confident95.1Very high29 Ų2943.7 Ų43.730%0.29924%0.238SC..Hα-helixtrans-65.2-43.9-177.600000113.2A98 S102 I103A98-G100 PolarHBondContact O-N 3.26Å; G100-S102 VanDerWaalsContact C-N 3.31Å; G100-S102 PolarHBondContact O-N 3.03Å; G100-I103 WeakPolarHBondContact O-CB 3.45Å; G100-I103 PolarHBondContact O-N 3.08Å
101E90.2Very high95Very high66 Ų6649 Ų4931%0.30826%0.263SS..Hα-helixtrans-63.6-38.5176.3-175.4-173.7-111.700111.4A98 I103 Q104 M105 Y109A98-E101 HydrophobicContact CB-CB 3.85Å; A98-E101 PolarHBondContact O-N 2.94Å; E101-I103 PolarHBondContact O-N 3.49Å; E101-I103 VanDerWaalsContact O-N 3.14Å; E101-Q104 CarbonylContact O-C 3.38Å; E101-Q104 WeakPolarHBondContact O-CA 3.33Å; E101-Q104 PolarHBondContact O-N 2.84Å; E101-M105 HydrophobicContact CG-CG 4.45Å; E101-M105 HydrophobicContact CG-SD 4.11Å; E101-M105 PolarHBondContact O-N 3.25Å; E101-Y109 HydrophobicContact CB-CE2 4.22Å; E101-Y109 HydrophobicContact CG-CE2 3.94Å; E101-Y109 VanDerWaalsContact OE2-CE2 3.29Å; E101-Y109 WeakPolarHBondContact OE2-CE2 3.45Å; E101-Y109 PolarHBondContact OE2-OH 2.94Å
102S94Very high95Very high0 Ų050.2 Ų50.20%027%0.269CS..Hα-helixtrans-58.7-30.2178.882.50000113.3A98 V99 G100 M105 P106 Y109 P162 Y163A98-S102 WeakPolarHBondContact O-CB 3.27Å; A98-S102 PolarHBondContact O-N 3.27Å; V99-S102 PolarHBondContact O-N 3.07Å; V99-S102 PolarHBondContact O-OG 3.37Å; G100-S102 VanDerWaalsContact C-N 3.31Å; G100-S102 PolarHBondContact O-N 3.03Å; S102-M105 CarbonylContact O-C 3.46Å; S102-P106 VanDerWaalsContact O-CA 3.32Å; S102-P106 WeakPolarHBondContact O-CA 3.48Å; S102-Y109 VanDerWaalsContact CB-CE1 3.41Å; S102-P162 WeakPolarHBondContact O-CB 3.2Å; S102-P162 WeakPolarHBondContact O-CG 3.35Å; S102-P162 WeakPolarHBondContact OG-CD 3.48Å; S102-Y163 PolarHBondContact OG-N 3.1Å
103I92.9Very high94.9Very high66 Ų6650.3 Ų50.334%0.33827%0.27SS..Hα-helixtrans-70.1-36.5175.5-63.6168.1000110.6V99 G100 E101 N161V99-I103 PolarHBondContact O-N 3.37Å; G100-I103 WeakPolarHBondContact O-CB 3.45Å; G100-I103 PolarHBondContact O-N 3.08Å; E101-I103 PolarHBondContact O-N 3.49Å; E101-I103 VanDerWaalsContact O-N 3.14Å; I103-N161 HydrophobicContact CD1-CB 4.28Å; I103-N161 HydrophobicContact CG1-CB 4.04Å
104Q93.8Very high94.9Very high152 Ų15250.1 Ų50.171%0.7127%0.271SS*.Hα-helixtrans-80.5-31179.1-57.9-56.9-50.100112.5E101 P106E101-Q104 CarbonylContact O-C 3.38Å; E101-Q104 WeakPolarHBondContact O-CA 3.33Å; E101-Q104 PolarHBondContact O-N 2.84Å; Q104-P106 WeakPolarHBondContact O-CD 3.48Å
105M94.9Very high94.9Very high85 Ų8551 Ų5142%0.41928%0.278SS..  trans-127.555.2-173.6-55.3-175.480.700112.2E101 S102 V107 Q108 Y109E101-M105 HydrophobicContact CG-CG 4.45Å; E101-M105 HydrophobicContact CG-SD 4.11Å; E101-M105 PolarHBondContact O-N 3.25Å; S102-M105 CarbonylContact O-C 3.46Å; M105-V107 VanDerWaalsContact C-N 3.35Å; M105-V107 PolarHBondContact O-N 3.5Å; M105-Q108 HydrophobicContact CB-CB 4.36Å; M105-Q108 PolarHBondContact O-N 2.99Å; M105-Y109 WeakPolarHBondContact O-CD2 3.25Å; M105-Y109 PolarHBondContact O-N 2.54Å
106P96.9Very high95Very high49 Ų4949.6 Ų49.632%0.31826%0.264SS..Hα-helixtrans-60.2-40.9-172.522.3-33.5000113.3S102 Q104 Q108 Y109 Y110 P162S102-P106 VanDerWaalsContact O-CA 3.32Å; S102-P106 WeakPolarHBondContact O-CA 3.48Å; Q104-P106 WeakPolarHBondContact O-CD 3.48Å; P106-Q108 PolarHBondContact O-N 3.3Å; P106-Y109 PolarHBondContact O-N 2.88Å; P106-Y110 HydrophobicContact CB-CD2 4.48Å; P106-Y110 HydrophobicContact CB-CE2 4.18Å; P106-Y110 WeakPolarHBondContact O-CD2 3.3Å; P106-Y110 PolarHBondContact O-N 3.44Å; P106-P162 HydrophobicContact CB-CB 4.11Å; P106-P162 HydrophobicContact CB-CG 3.88Å
107V98.2Very high95.2Very high112 Ų11248.7 Ų48.768%0.67926%0.259SS*.Hα-helixtrans-61.2-45.5-178.41780000110.9M105 Y109 Y110 E111M105-V107 VanDerWaalsContact C-N 3.35Å; M105-V107 PolarHBondContact O-N 3.5Å; V107-Y109 VanDerWaalsContact C-N 3.31Å; V107-Y109 PolarHBondContact O-N 3.15Å; V107-Y110 PolarHBondContact O-N 3.05Å; V107-E111 WeakPolarHBondContact O-CB 3.36Å; V107-E111 PolarHBondContact O-N 3.32Å
108Q97Very high95.4Very high78 Ų7848.4 Ų48.436%0.36426%0.261SS..Hα-helixtrans-63.6-37.9178.9-169.1-175-200111.8L96 M105 P106 N112L96-Q108 HydrophobicContact CD1-CG 3.79Å; M105-Q108 HydrophobicContact CB-CB 4.36Å; M105-Q108 PolarHBondContact O-N 2.99Å; P106-Q108 PolarHBondContact O-N 3.3Å; Q108-N112 VanDerWaalsContact O-CB 3.25Å; Q108-N112 WeakPolarHBondContact O-CB 3.41Å; Q108-N112 PolarHBondContact O-N 3.47Å
109Y97.5Very high95.8Very high1 Ų149.4 Ų49.40%0.00426%0.264CS..Hα-helixtrans-65-43.7175.5-89.5-107.2000112L96 A98 E101 S102 M105 P106 V107 N113 Y163L96-Y109 HydrophobicContact CB-CD1 3.9Å; L96-Y109 HydrophobicContact CB-CD2 4.26Å; L96-Y109 HydrophobicContact CB-CE1 3.52Å; L96-Y109 HydrophobicContact CB-CE2 3.91Å; L96-Y109 HydrophobicContact CB-CG 4.25Å; L96-Y109 HydrophobicContact CD1-CD2 4Å; L96-Y109 HydrophobicContact CD1-CE2 3.95Å; L96-Y109 HydrophobicContact CD1-CG 4.49Å; L96-Y109 WeakPolarHBondContact O-CE1 3.4Å; A98-Y109 WeakPolarHBondContact CA-OH 3.27Å; A98-Y109 VanDerWaalsContact CB-OH 3.32Å; A98-Y109 WeakPolarHBondContact CB-OH 3.45Å; A98-Y109 PolarHBondContact N-OH 3.2Å; A98-Y109 PolarHBondContact O-OH 2.9Å; E101-Y109 HydrophobicContact CB-CE2 4.22Å; E101-Y109 HydrophobicContact CG-CE2 3.94Å; E101-Y109 VanDerWaalsContact OE2-CE2 3.29Å; E101-Y109 WeakPolarHBondContact OE2-CE2 3.45Å; E101-Y109 PolarHBondContact OE2-OH 2.94Å; S102-Y109 VanDerWaalsContact CB-CE1 3.41Å; M105-Y109 WeakPolarHBondContact O-CD2 3.25Å; M105-Y109 PolarHBondContact O-N 2.54Å; P106-Y109 PolarHBondContact O-N 2.88Å; V107-Y109 VanDerWaalsContact C-N 3.31Å; V107-Y109 PolarHBondContact O-N 3.15Å; Y109-N113 WeakPolarHBondContact O-CB 3.29Å; Y109-N113 VanDerWaalsContact O-CG 3.31Å; Y109-N113 PolarHBondContact O-N 3.17Å; Y109-Y163 HydrophobicContact CE1-CD2 4.32Å
110Y98.4Very high96.3Very high68 Ų6847.8 Ų47.827%0.26725%0.254SS..Hα-helixtrans-70-39.8177.2-66.4-58.1000112.5P106 V107 V114 A115 P162 K165 F169P106-Y110 HydrophobicContact CB-CD2 4.48Å; P106-Y110 HydrophobicContact CB-CE2 4.18Å; P106-Y110 WeakPolarHBondContact O-CD2 3.3Å; P106-Y110 PolarHBondContact O-N 3.44Å; V107-Y110 PolarHBondContact O-N 3.05Å; Y110-V114 HydrophobicContact CD1-CG2 4.08Å; Y110-V114 WeakPolarHBondContact O-CA 3.38Å; Y110-V114 WeakPolarHBondContact O-CB 3.39Å; Y110-V114 PolarHBondContact O-N 2.64Å; Y110-A115 PolarHBondContact O-N 3.18Å; Y110-A115 VanDerWaalsContact O-N 3.15Å; Y110-P162 HydrophobicContact CE2-CB 4.16Å; Y110-K165 HydrophobicContact CE1-CB 4.1Å; Y110-K165 WeakPolarHBondContact OH-CD 3.24Å; Y110-F169 HydrophobicContact CD1-CD2 4.29Å; Y110-F169 HydrophobicContact CD1-CE2 4.4Å; Y110-F169 AromaticContact CE1-CD2 3.92Å; Y110-F169 HydrophobicContact CE1-CD2 3.92Å; Y110-F169 AromaticContact CE1-CE2 3.7Å; Y110-F169 HydrophobicContact CE1-CE2 3.7Å
111E97.8Very high96.9Very high111 Ų11147 Ų4752%0.51924%0.243SC..Iπ-helixtrans-60.8-52.1175.1-176.8177.1-16300110.9T73 V107 A115 G116T73-E111 HydrophobicContact CG2-CG 4.29Å; V107-E111 WeakPolarHBondContact O-CB 3.36Å; V107-E111 PolarHBondContact O-N 3.32Å; E111-A115 WeakPolarHBondContact O-CA 3.46Å; E111-A115 VanDerWaalsContact O-CB 3.26Å; E111-A115 WeakPolarHBondContact O-CB 3.29Å; E111-A115 PolarHBondContact O-N 3.07Å; E111-G116 PolarHBondContact O-N 3.38Å
112N97.6Very high97.3Very high25 Ų2548.5 Ų48.513%0.13425%0.25CS..Iπ-helixtrans-70.4-43.6-176.6-170.590000112.6G95 L96 Q108G95-N112 WeakPolarHBondContact CA-ND2 3.34Å; L96-N112 HydrophobicContact CD1-CB 4.15Å; L96-N112 HydrophobicContact CG-CB 4.12Å; L96-N112 PolarHBondContact N-ND2 2.59Å; Q108-N112 VanDerWaalsContact O-CB 3.25Å; Q108-N112 WeakPolarHBondContact O-CB 3.41Å; Q108-N112 PolarHBondContact O-N 3.47Å
113N98.3Very high97.5Very high4 Ų448.5 Ų48.52%0.02125%0.251CS..Iπ-helixtrans-90.3-28.5-172-61.9-1.1000113.7G95 L96 Y109 T117 S166 V170G95-N113 WeakPolarHBondContact CA-OD1 3.42Å; L96-N113 PolarHBondContact N-OD1 3.38Å; L96-N113 PolarHBondContact O-ND2 3.49Å; Y109-N113 WeakPolarHBondContact O-CB 3.29Å; Y109-N113 VanDerWaalsContact O-CG 3.31Å; Y109-N113 PolarHBondContact O-N 3.17Å; N113-T117 PolarHBondContact O-OG1 3.07Å; N113-S166 PolarHBondContact ND2-OG 3.29Å; N113-V170 VanDerWaalsContact O-CG2 3.24Å; N113-V170 WeakPolarHBondContact O-CG2 3.35Å
114V98.5Very high97.7Very high22 Ų2245.4 Ų45.413%0.13324%0.235CC..Iπ-helixtrans-102.4-55.7-179.2-1740000110.1Y110 G116 T117 L118 F169 V170 I173Y110-V114 HydrophobicContact CD1-CG2 4.08Å; Y110-V114 WeakPolarHBondContact O-CA 3.38Å; Y110-V114 WeakPolarHBondContact O-CB 3.39Å; Y110-V114 PolarHBondContact O-N 2.64Å; V114-G116 PolarHBondContact O-N 3.38Å; V114-T117 PolarHBondContact O-N 2.81Å; V114-L118 HydrophobicContact CG1-CD1 4.37Å; V114-L118 WeakPolarHBondContact O-CG 3.48Å; V114-L118 PolarHBondContact O-N 3.12Å; V114-F169 HydrophobicContact CG2-CB 4.4Å; V114-V170 HydrophobicContact CG2-CG2 4.37Å; V114-I173 HydrophobicContact CG1-CD1 3.73Å
115A98Very high97.9Very high39 Ų3943.9 Ų43.932%0.32223%0.228SC..Iπ-helixtrans-66.6-39-179.800000111.9Y110 E111 T117 L118 N119Y110-A115 PolarHBondContact O-N 3.18Å; Y110-A115 VanDerWaalsContact O-N 3.15Å; E111-A115 WeakPolarHBondContact O-CA 3.46Å; E111-A115 VanDerWaalsContact O-CB 3.26Å; E111-A115 WeakPolarHBondContact O-CB 3.29Å; E111-A115 PolarHBondContact O-N 3.07Å; A115-T117 VanDerWaalsContact C-N 3.31Å; A115-T117 PolarHBondContact O-N 3.44Å; A115-L118 PolarHBondContact O-N 2.86Å; A115-N119 PolarHBondContact O-N 2.51Å
116G98.4Very high98Very high0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-57.4-40.5171.600000113.3E111 V114 L120E111-G116 PolarHBondContact O-N 3.38Å; V114-G116 PolarHBondContact O-N 3.38Å; G116-L120 PolarHBondContact O-N 3.05Å; G116-L120 VanDerWaalsContact O-N 3.17Å
117T98.6Very high98.1Very high1 Ų146.5 Ų46.51%0.00623%0.23CC..Hα-helixtrans-71-39.4174.8-53.80000112.1H92 N113 V114 A115 N119 L120 L121 V170H92-T117 PolarHBondContact NE2-OG1 3.02Å; N113-T117 PolarHBondContact O-OG1 3.07Å; V114-T117 PolarHBondContact O-N 2.81Å; A115-T117 VanDerWaalsContact C-N 3.31Å; A115-T117 PolarHBondContact O-N 3.44Å; T117-N119 VanDerWaalsContact C-N 3.33Å; T117-N119 PolarHBondContact O-N 2.85Å; T117-L120 WeakPolarHBondContact O-CB 3.42Å; T117-L120 PolarHBondContact O-N 2.7Å; T117-L120 VanDerWaalsContact O-N 3.15Å; T117-L121 HydrophobicContact CG2-CD1 4.09Å; T117-L121 HydrophobicContact CG2-CG 4.23Å; T117-L121 WeakPolarHBondContact O-CG 3.3Å; T117-L121 PolarHBondContact O-N 3.14Å; T117-V170 HydrophobicContact CG2-CG1 3.77Å; T117-V170 HydrophobicContact CG2-CG2 4.44Å
118L98.4Very high98.1Very high65 Ų6549.9 Ų49.934%0.3424%0.239SC..Hα-helixtrans-59.6-43.4175.6-74.8171.4000111.9V114 A115 L120 L121 Q122 I173V114-L118 HydrophobicContact CG1-CD1 4.37Å; V114-L118 WeakPolarHBondContact O-CG 3.48Å; V114-L118 PolarHBondContact O-N 3.12Å; A115-L118 PolarHBondContact O-N 2.86Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 2.82Å; L118-L121 PolarHBondContact O-N 2.79Å; L118-Q122 WeakPolarHBondContact O-CG 3.11Å; L118-Q122 PolarHBondContact O-N 2.86Å; L118-I173 HydrophobicContact CD2-CD1 4.04Å; L118-I173 HydrophobicContact CD2-CG2 3.87Å; L118-I173 HydrophobicContact CG-CD1 4.27Å
119N98.3Very high98.1Very high30 Ų3046.7 Ų46.716%0.1622%0.224CC..Hα-helixtrans-59.6-44.5173.8-73.2-4.6000111.5L72 T73 A115 T117 L121 Q122 V123L72-N119 VanDerWaalsContact O-CB 3.25Å; L72-N119 WeakPolarHBondContact O-CB 3.32Å; L72-N119 PolarHBondContact O-ND2 3.07Å; T73-N119 WeakPolarHBondContact CA-ND2 3.47Å; T73-N119 PolarHBondContact O-ND2 3.37Å; A115-N119 PolarHBondContact O-N 2.51Å; T117-N119 VanDerWaalsContact C-N 3.33Å; T117-N119 PolarHBondContact O-N 2.85Å; N119-L121 PolarHBondContact O-N 3.22Å; N119-Q122 PolarHBondContact O-N 2.78Å; N119-V123 WeakPolarHBondContact O-CG2 3.29Å; N119-V123 PolarHBondContact O-N 3.29Å
120L98.7Very high98.2Very high0 Ų048.1 Ų48.10%024%0.235CC..Hα-helixtrans-59.1-47176175.863.2000111.9L11 T13 L72 L78 F82 V90 H92 G116 T117 L118 Q122 V123 M124L11-L120 HydrophobicContact CD2-CD1 4.37Å; T13-L120 HydrophobicContact CG2-CD2 4.23Å; L72-L120 HydrophobicContact CD1-CD2 4.49Å; L78-L120 HydrophobicContact CD1-CD1 4.45Å; L78-L120 HydrophobicContact CD2-CB 4.14Å; L78-L120 HydrophobicContact CD2-CD1 4.02Å; F82-L120 HydrophobicContact CE2-CD1 4.37Å; F82-L120 HydrophobicContact CZ-CD1 4.29Å; V90-L120 HydrophobicContact CG1-CD1 4.27Å; V90-L120 HydrophobicContact CG1-CD2 4.01Å; H92-L120 HydrophobicContact CB-CD2 4.18Å; G116-L120 PolarHBondContact O-N 3.05Å; G116-L120 VanDerWaalsContact O-N 3.17Å; T117-L120 WeakPolarHBondContact O-CB 3.42Å; T117-L120 PolarHBondContact O-N 2.7Å; T117-L120 VanDerWaalsContact O-N 3.15Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 2.82Å; L120-Q122 PolarHBondContact O-N 2.86Å; L120-V123 PolarHBondContact O-N 3.08Å; L120-M124 HydrophobicContact CD1-CG 4.2Å; L120-M124 HydrophobicContact CD1-SD 4.19Å; L120-M124 HydrophobicContact CG-CG 4.44Å; L120-M124 HydrophobicContact CG-SD 3.99Å; L120-M124 WeakPolarHBondContact O-CB 2.99Å; L120-M124 VanDerWaalsContact O-CG 3.22Å; L120-M124 WeakPolarHBondContact O-CG 3.5Å; L120-M124 PolarHBondContact O-N 2.61Å
121L98.6Very high98.2Very high13 Ų1346.2 Ų46.27%0.06823%0.229CC..Hα-helixtrans-64.5-39.3179.1-67173.9000112.5T117 L118 N119 M124 Q125 I132 I173 L174 L177 W184T117-L121 HydrophobicContact CG2-CD1 4.09Å; T117-L121 HydrophobicContact CG2-CG 4.23Å; T117-L121 WeakPolarHBondContact O-CG 3.3Å; T117-L121 PolarHBondContact O-N 3.14Å; L118-L121 PolarHBondContact O-N 2.79Å; N119-L121 PolarHBondContact O-N 3.22Å; L121-M124 HydrophobicContact CD2-SD 4.36Å; L121-M124 PolarHBondContact O-N 3.45Å; L121-Q125 WeakPolarHBondContact O-CB 3.45Å; L121-Q125 PolarHBondContact O-N 3.03Å; L121-I132 HydrophobicContact CD2-CD1 4.02Å; L121-I173 HydrophobicContact CD1-CG2 3.78Å; L121-L174 HydrophobicContact CD1-CD2 3.93Å; L121-L174 HydrophobicContact CD2-CD2 3.79Å; L121-L174 HydrophobicContact CG-CD2 4.48Å; L121-L177 HydrophobicContact CD1-CD2 4.31Å; L121-L177 HydrophobicContact CD2-CD2 3.98Å; L121-W184 HydrophobicContact CD2-CH2 4.19Å; L121-W184 HydrophobicContact CD2-CZ3 3.97Å
122Q97.8Very high98.2Very high97 Ų9740.9 Ų40.945%0.45320%0.204SC..Hα-helixtrans-62.5-43.8175.1-73.8174.331.200111.9L118 N119 L120 Q125 K126L118-Q122 WeakPolarHBondContact O-CG 3.11Å; L118-Q122 PolarHBondContact O-N 2.86Å; N119-Q122 PolarHBondContact O-N 2.78Å; L120-Q122 PolarHBondContact O-N 2.86Å; Q122-Q125 PolarHBondContact O-N 3.39Å; Q122-K126 PolarHBondContact O-N 3.42Å; Q122-K126 VanDerWaalsContact O-N 3.07Å
123V98.4Very high98.3Very high1 Ų139.8 Ų39.81%0.00620%0.198CC..Hα-helixtrans-65.9-45.9175.8178.50000110.2E75 L78 R79 F82 N119 L120 Q125 K126 Y127E75-V123 HydrophobicContact CG-CG2 3.93Å; L78-V123 HydrophobicContact CB-CG2 4.4Å; L78-V123 HydrophobicContact CD2-CB 4.27Å; L78-V123 HydrophobicContact CD2-CG2 4.04Å; L78-V123 HydrophobicContact CG-CB 4.35Å; L78-V123 HydrophobicContact CG-CG1 4.35Å; L78-V123 HydrophobicContact CG-CG2 4.16Å; R79-V123 HydrophobicContact CG-CG1 4.08Å; R79-V123 HydrophobicContact CG-CG2 3.69Å; F82-V123 HydrophobicContact CB-CG1 4.03Å; F82-V123 HydrophobicContact CD1-CG1 4.08Å; F82-V123 HydrophobicContact CD2-CG1 3.36Å; F82-V123 HydrophobicContact CE1-CG1 4.39Å; F82-V123 HydrophobicContact CE2-CB 4.49Å; F82-V123 HydrophobicContact CE2-CG1 3.71Å; F82-V123 HydrophobicContact CG-CG1 3.56Å; F82-V123 HydrophobicContact CZ-CG1 4.22Å; N119-V123 WeakPolarHBondContact O-CG2 3.29Å; N119-V123 PolarHBondContact O-N 3.29Å; L120-V123 PolarHBondContact O-N 3.08Å; V123-Q125 VanDerWaalsContact C-N 3.32Å; V123-Q125 PolarHBondContact O-N 2.91Å; V123-K126 WeakPolarHBondContact O-CB 3.43Å; V123-K126 PolarHBondContact O-N 2.9Å; V123-K126 VanDerWaalsContact O-N 3.11Å; V123-Y127 HydrophobicContact CG1-CD2 3.94Å; V123-Y127 HydrophobicContact CG1-CE2 3.97Å; V123-Y127 VanDerWaalsContact O-CD2 3.3Å; V123-Y127 WeakPolarHBondContact O-CD2 3.2Å; V123-Y127 PolarHBondContact O-N 3.38Å; V123-Y127 VanDerWaalsContact O-N 3.16Å
124M98.6Very high98.3Very high0 Ų039.7 Ų39.70%020%0.198CC..Hα-helixtrans-54.8-46.3176.1-75.6-179.87000112.4F82 V90 L120 L121 K126 Y127 E128 V129 N131 I132 W184F82-M124 HydrophobicContact CE1-CG 3.98Å; F82-M124 HydrophobicContact CZ-CG 3.76Å; V90-M124 HydrophobicContact CB-CE 3.97Å; V90-M124 HydrophobicContact CB-SD 3.93Å; V90-M124 HydrophobicContact CG1-SD 4.39Å; V90-M124 HydrophobicContact CG2-CE 3.58Å; V90-M124 HydrophobicContact CG2-CG 4.01Å; V90-M124 HydrophobicContact CG2-SD 3.55Å; V90-M124 VanDerWaalsContact CG2-SD 3.55Å; L120-M124 HydrophobicContact CD1-CG 4.2Å; L120-M124 HydrophobicContact CD1-SD 4.19Å; L120-M124 HydrophobicContact CG-CG 4.44Å; L120-M124 HydrophobicContact CG-SD 3.99Å; L120-M124 WeakPolarHBondContact O-CB 2.99Å; L120-M124 VanDerWaalsContact O-CG 3.22Å; L120-M124 WeakPolarHBondContact O-CG 3.5Å; L120-M124 PolarHBondContact O-N 2.61Å; L121-M124 HydrophobicContact CD2-SD 4.36Å; L121-M124 PolarHBondContact O-N 3.45Å; M124-K126 PolarHBondContact O-N 3.47Å; M124-Y127 CarbonylContact O-C 3.59Å; M124-Y127 PolarHBondContact O-N 3.15Å; M124-E128 PolarHBondContact O-N 3.2Å; M124-E128 VanDerWaalsContact O-N 3.1Å; M124-V129 HydrophobicContact CB-CB 4.4Å; M124-V129 WeakPolarHBondContact CB-O 3.46Å; M124-V129 HydrophobicContact CE-CB 4.37Å; M124-V129 HydrophobicContact CE-CG1 3.92Å; M124-V129 VanDerWaalsContact CE-O 3.27Å; M124-V129 WeakPolarHBondContact CE-O 3.34Å; M124-V129 PolarHBondContact O-N 3.39Å; M124-N131 WeakPolarHBondContact CE-O 3.23Å; M124-I132 HydrophobicContact CE-CB 4.01Å; M124-I132 HydrophobicContact SD-CD1 4.12Å; M124-W184 HydrophobicContact CB-CH2 3.92Å; M124-W184 HydrophobicContact CE-CH2 4.33Å; M124-W184 HydrophobicContact CE-CZ3 3.86Å
125Q97.4Very high98.3Very high121 Ų12139 Ų3957%0.56519%0.194SC*.Hα-helixtrans-60.5-42.9176.4-172.7177.148.500112.1L121 Q122 V123 Y127 E128 W184L121-Q125 WeakPolarHBondContact O-CB 3.45Å; L121-Q125 PolarHBondContact O-N 3.03Å; Q122-Q125 PolarHBondContact O-N 3.39Å; V123-Q125 VanDerWaalsContact C-N 3.32Å; V123-Q125 PolarHBondContact O-N 2.91Å; Q125-Y127 VanDerWaalsContact C-N 3.28Å; Q125-Y127 PolarHBondContact O-N 2.84Å; Q125-E128 PolarHBondContact O-N 3.39Å; Q125-W184 HydrophobicContact CB-CZ2 4.29Å
126K97.5Very high98.3Very high130 Ų13037.3 Ų37.357%0.56518%0.18SC*.Hα-helixtrans-61.2-33.6178.5174.4177172.6-175.20113.5Q122 V123 M124Q122-K126 PolarHBondContact O-N 3.42Å; Q122-K126 VanDerWaalsContact O-N 3.07Å; V123-K126 WeakPolarHBondContact O-CB 3.43Å; V123-K126 PolarHBondContact O-N 2.9Å; V123-K126 VanDerWaalsContact O-N 3.11Å; M124-K126 PolarHBondContact O-N 3.47Å
127Y98.1Very high98.3Very high59 Ų5938 Ų3823%0.23118%0.184CC..THydrogen-bonded Turntrans-102.816.3-179.7-67.6-101.3000112.4R79 F82 D83 V123 M124 Q125 V129R79-Y127 HydrophobicContact CG-CE2 4.37Å; F82-Y127 HydrophobicContact CB-CD1 3.8Å; F82-Y127 HydrophobicContact CB-CD2 3.63Å; F82-Y127 HydrophobicContact CB-CE1 3.86Å; F82-Y127 HydrophobicContact CB-CE2 3.7Å; F82-Y127 HydrophobicContact CB-CG 3.7Å; F82-Y127 HydrophobicContact CD1-CD2 4.12Å; F82-Y127 HydrophobicContact CD1-CG 4.03Å; F82-Y127 HydrophobicContact CG-CD2 4.13Å; F82-Y127 HydrophobicContact CG-CG 4.28Å; D83-Y127 WeakPolarHBondContact OD1-CE1 3.37Å; D83-Y127 VanDerWaalsContact OD1-CZ 3.29Å; D83-Y127 PolarHBondContact OD1-OH 2.96Å; V123-Y127 HydrophobicContact CG1-CD2 3.94Å; V123-Y127 HydrophobicContact CG1-CE2 3.97Å; V123-Y127 VanDerWaalsContact O-CD2 3.3Å; V123-Y127 WeakPolarHBondContact O-CD2 3.2Å; V123-Y127 PolarHBondContact O-N 3.38Å; V123-Y127 VanDerWaalsContact O-N 3.16Å; M124-Y127 CarbonylContact O-C 3.59Å; M124-Y127 PolarHBondContact O-N 3.15Å; Q125-Y127 VanDerWaalsContact C-N 3.28Å; Q125-Y127 PolarHBondContact O-N 2.84Å; Y127-V129 PolarHBondContact O-N 3.1Å
128E97.6Very high98.2Very high182 Ų18238.4 Ų38.485%0.8519%0.188SC*.THydrogen-bonded Turntrans57.431.7175.9-54.9-179.4156.200113.8M124 Q125M124-E128 PolarHBondContact O-N 3.2Å; M124-E128 VanDerWaalsContact O-N 3.1Å; Q125-E128 PolarHBondContact O-N 3.39Å
129V98.3Very high98.1Very high11 Ų1137 Ų377%0.06718%0.182CC..  trans-94.7103.5175.1-174.10000109.2F82 I87 V90 M124 Y127F82-V129 HydrophobicContact CD1-CG2 4.27Å; F82-V129 HydrophobicContact CE1-CB 4.37Å; F82-V129 HydrophobicContact CE1-CG2 3.96Å; I87-V129 HydrophobicContact CB-CG2 4.36Å; I87-V129 HydrophobicContact CG2-CG1 4.19Å; I87-V129 WeakPolarHBondContact O-CG2 3.34Å; V90-V129 HydrophobicContact CG2-CG1 4.41Å; M124-V129 HydrophobicContact CB-CB 4.4Å; M124-V129 WeakPolarHBondContact CB-O 3.46Å; M124-V129 HydrophobicContact CE-CB 4.37Å; M124-V129 HydrophobicContact CE-CG1 3.92Å; M124-V129 VanDerWaalsContact CE-O 3.27Å; M124-V129 WeakPolarHBondContact CE-O 3.34Å; M124-V129 PolarHBondContact O-N 3.39Å; Y127-V129 PolarHBondContact O-N 3.1Å
130S98.3Very high98.1Very high31 Ų3135.6 Ų35.622%0.21717%0.174CC..  trans-104.19.8-174.473.70000114.5D183 W184 N185S130-D183 PolarHBondContact OG-O 2.99Å; S130-W184 CarbonylContact O-C 3.52Å; S130-W184 WeakPolarHBondContact O-CA 3.44Å; S130-N185 PolarHBondContact O-N 3.19Å
131N98.7Very high98Very high28 Ų2835.6 Ų35.615%0.1518%0.175CC..EExtended strand (participates in β ladder)trans-107.9116.9-176.4-68.6-30.9000111.4D88 C89 V90 M124 N185 I264D88-N131 WeakPolarHBondContact O-CB 3.5Å; D88-N131 PolarHBondContact O-ND2 2.97Å; C89-N131 WeakPolarHBondContact CA-O 3.43Å; C89-N131 HydrophobicContact CB-CB 3.99Å; V90-N131 PolarHBondContact N-O 3.48Å; M124-N131 WeakPolarHBondContact CE-O 3.23Å; N131-N185 WeakPolarHBondContact CA-O 3.47Å; N131-N185 WeakPolarHBondContact OD1-CB 3.28Å; N131-N185 PolarHBondContact OD1-ND2 3.18Å; N131-I264 HydrophobicContact CB-CG2 3.55Å
132I98.9Very high97.7Very high0 Ų035.3 Ų35.30%017%0.174CC..EExtended strand (participates in β ladder)trans-139135.6179.1-170.5168.7000113V90 H92 L121 M124 L174 W184 N185 I186 V187V90-I132 HydrophobicContact CB-CG1 4.4Å; V90-I132 CarbonylContact O-C 3.56Å; V90-I132 WeakPolarHBondContact O-CA 3.4Å; H92-I132 HydrophobicContact CB-CD1 4.32Å; L121-I132 HydrophobicContact CD2-CD1 4.02Å; M124-I132 HydrophobicContact CE-CB 4.01Å; M124-I132 HydrophobicContact SD-CD1 4.12Å; I132-L174 HydrophobicContact CD1-CD2 4.46Å; I132-L174 HydrophobicContact CG2-CD2 4.19Å; I132-W184 HydrophobicContact CG2-CE3 4.43Å; I132-W184 HydrophobicContact CG2-CZ3 4.49Å; I132-N185 PolarHBondContact N-O 2.99Å; I132-I186 HydrophobicContact CG2-CB 4.23Å; I132-I186 HydrophobicContact CG2-CG1 3.84Å; I132-I186 HydrophobicContact CG2-CG2 4.09Å; I132-I186 WeakPolarHBondContact O-CA 3.33Å; I132-V187 PolarHBondContact O-N 3.4Å
133I98.9Very high97.5Very high1 Ų133.6 Ų33.61%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-110.5117.1166.6-62.7160.1000107.4V90 M91 H92 V187 L189 S260 L261 I264V90-I133 PolarHBondContact O-N 2.86Å; M91-I133 WeakPolarHBondContact CA-O 3.36Å; M91-I133 HydrophobicContact CE-CD1 3.69Å; M91-I133 HydrophobicContact CG-CB 4.22Å; M91-I133 HydrophobicContact CG-CD1 4.06Å; M91-I133 HydrophobicContact SD-CD1 4.48Å; H92-I133 PolarHBondContact N-O 3.28Å; I133-V187 CarbonylContact C-O 3.57Å; I133-V187 WeakPolarHBondContact CA-O 3.49Å; I133-V187 HydrophobicContact CG1-CB 4.14Å; I133-L189 HydrophobicContact CG2-CD1 3.46Å; I133-L189 VanDerWaalsContact CG2-CD1 3.46Å; I133-L189 HydrophobicContact CG2-CG 4Å; I133-S260 WeakPolarHBondContact CD1-OG 3.46Å; I133-L261 HydrophobicContact CD1-CD2 3.75Å; I133-L261 HydrophobicContact CD1-CG 4.1Å; I133-I264 HydrophobicContact CD1-CG1 4.02Å; I133-I264 HydrophobicContact CG1-CD1 4.1Å; I133-I264 HydrophobicContact CG1-CG1 3.78Å
134F98.8Very high97.2Very high3 Ų335.1 Ų35.11%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-102.1130.3-177.6177.9-121000111.9H92 S136 K167 V170 E171 L174 V187 L188 L189H92-F134 HydrophobicContact CB-CD2 4.3Å; H92-F134 AromaticContact CD2-CD2 3.58Å; H92-F134 AromaticContact CD2-CE2 3.73Å; F134-S136 PolarHBondContact O-N 2.93Å; F134-K167 HydrophobicContact CE1-CD 4.21Å; F134-K167 HydrophobicContact CZ-CD 3.68Å; F134-V170 HydrophobicContact CD1-CG1 4.05Å; F134-V170 HydrophobicContact CD2-CG1 4.05Å; F134-V170 HydrophobicContact CE1-CB 3.93Å; F134-V170 HydrophobicContact CE1-CG1 3.58Å; F134-V170 HydrophobicContact CE2-CB 4.33Å; F134-V170 HydrophobicContact CE2-CG1 3.57Å; F134-V170 HydrophobicContact CG-CG1 4.26Å; F134-V170 HydrophobicContact CZ-CB 3.65Å; F134-V170 HydrophobicContact CZ-CG1 3.31Å; F134-V170 HydrophobicContact CZ-CG2 4.3Å; F134-E171 HydrophobicContact CE1-CG 4.47Å; F134-L174 HydrophobicContact CB-CD1 3.81Å; F134-L174 HydrophobicContact CD1-CD1 4.05Å; F134-L174 HydrophobicContact CG-CD1 3.92Å; F134-V187 PolarHBondContact N-O 2.86Å; F134-L188 HydrophobicContact CB-CD2 4.01Å; F134-L188 HydrophobicContact CD1-CD2 4.09Å; F134-L189 PolarHBondContact O-N 2.86Å
135S98.4Very high96.9Very high8 Ų841.1 Ų41.16%0.05621%0.213CC..EExtended strand (participates in β ladder)trans-75.585.4170-59.80000111.2H92 F93 K167 Y191H92-S135 WeakPolarHBondContact O-CB 3.32Å; H92-S135 PolarHBondContact O-N 2.78Å; H92-S135 VanDerWaalsContact O-N 3.07Å; H92-S135 PolarHBondContact O-OG 3.08Å; F93-S135 WeakPolarHBondContact CD1-OG 3.46Å; F93-S135 WeakPolarHBondContact CE1-OG 3.32Å; S135-K167 WeakPolarHBondContact O-CE 3.38Å; S135-K167 PolarHBondContact O-NZ 3.27Å; S135-Y191 VanDerWaalsContact CA-OH 3.29Å; S135-Y191 WeakPolarHBondContact CA-OH 3.46Å; S135-Y191 PolarHBondContact OG-OH 3.22Å
136S98.4Very high96.7Very high3 Ų339.7 Ų39.72%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-82.9-168.8170.2-163.70000110.9F134 E171 L189F134-S136 PolarHBondContact O-N 2.93Å; S136-E171 VanDerWaalsContact CB-OE1 3.3Å; S136-E171 WeakPolarHBondContact CB-OE1 3.44Å; S136-E171 PolarHBondContact OG-OE1 3.21Å; S136-L189 CarbonylContact C-O 3.41Å; S136-L189 VanDerWaalsContact CA-O 3.29Å; S136-L189 WeakPolarHBondContact CA-O 3.43Å; S136-L189 WeakPolarHBondContact CB-O 3.45Å; S136-L189 PolarHBondContact N-O 2.75Å
137S97.5Very high96.5Very high13 Ų1336.4 Ų36.49%0.09119%0.193CC..EExtended strand (participates in β ladder)trans-152.2149.7-173.3-173.60000111.8T139 V140 Y163S137-T139 WeakPolarHBondContact CB-OG1 3.47Å; S137-T139 PolarHBondContact O-N 3.33Å; S137-T139 PolarHBondContact OG-N 3.37Å; S137-T139 PolarHBondContact OG-OG1 3.41Å; S137-V140 WeakPolarHBondContact O-CG1 3.3Å; S137-V140 VanDerWaalsContact O-CG2 3.25Å; S137-V140 WeakPolarHBondContact O-CG2 3.5Å; S137-V140 PolarHBondContact O-N 2.89Å; S137-V140 VanDerWaalsContact O-N 3.13Å; S137-Y163 WeakPolarHBondContact CB-OH 3.39Å; S137-Y163 PolarHBondContact OG-OH 3.27Å
138A97.1Very high96.5Very high10 Ų1036.5 Ų36.58%0.08320%0.201CC..G310 helixtrans-56.4-15.8170.300000113.6V140 Y141 Y191 F192 V313A138-V140 PolarHBondContact O-N 3.36Å; A138-Y141 HydrophobicContact CB-CD2 4.38Å; A138-Y141 VanDerWaalsContact O-CD2 3.29Å; A138-Y141 WeakPolarHBondContact O-CD2 3.37Å; A138-Y141 PolarHBondContact O-N 3.44Å; A138-Y191 PolarHBondContact N-O 3.04Å; A138-F192 HydrophobicContact CB-CD1 3.79Å; A138-F192 HydrophobicContact CB-CD2 3.99Å; A138-F192 HydrophobicContact CB-CE1 3.68Å; A138-F192 HydrophobicContact CB-CE2 3.8Å; A138-F192 HydrophobicContact CB-CG 3.93Å; A138-F192 HydrophobicContact CB-CZ 3.64Å; A138-V313 HydrophobicContact CB-CG1 4.17Å
139T95.7Very high96.5Very high36 Ų3627.9 Ų27.922%0.22116%0.161CC..G310 helixtrans-63.8-21.3175.5570000113.7S137 Y141 G142 L159 Y163 G164S137-T139 WeakPolarHBondContact CB-OG1 3.47Å; S137-T139 PolarHBondContact O-N 3.33Å; S137-T139 PolarHBondContact OG-N 3.37Å; S137-T139 PolarHBondContact OG-OG1 3.41Å; T139-Y141 PolarHBondContact O-N 3.12Å; T139-G142 PolarHBondContact O-N 3.39Å; T139-G142 VanDerWaalsContact O-N 3.15Å; T139-L159 WeakPolarHBondContact O-CD2 3.34Å; T139-Y163 HydrophobicContact CG2-CD1 4.11Å; T139-Y163 HydrophobicContact CG2-CE1 3.78Å; T139-G164 WeakPolarHBondContact OG1-CA 3.36Å
140V97.6Very high96.5Very high0 Ų028.3 Ų28.30%016%0.164CC..G310 helixtrans-66.6-18.4177.9-55.70000113.2S137 A138 T155 G156 L159 K167 R190S137-V140 WeakPolarHBondContact O-CG1 3.3Å; S137-V140 VanDerWaalsContact O-CG2 3.25Å; S137-V140 WeakPolarHBondContact O-CG2 3.5Å; S137-V140 PolarHBondContact O-N 2.89Å; S137-V140 VanDerWaalsContact O-N 3.13Å; A138-V140 PolarHBondContact O-N 3.36Å; V140-T155 HydrophobicContact CB-CG2 4.43Å; V140-T155 HydrophobicContact CG2-CG2 3.86Å; V140-T155 CarbonylContact O-C 3.59Å; V140-T155 VanDerWaalsContact O-CA 3.26Å; V140-T155 WeakPolarHBondContact O-CA 3.22Å; V140-T155 VanDerWaalsContact O-CB 3.3Å; V140-T155 WeakPolarHBondContact O-CB 3.21Å; V140-G156 PolarHBondContact O-N 3.24Å; V140-L159 WeakPolarHBondContact O-CD2 3.32Å; V140-K167 HydrophobicContact CG1-CB 3.81Å; V140-R190 HydrophobicContact CG2-CG 4.23Å
141Y97.1Very high96.5Very high1 Ų128.1 Ų28.10%0.00416%0.16CC..G310 helixtrans-77.7-22175.8-63.6-65.5000113A138 T139 I149 H153 T155 R190 F192 N274A138-Y141 HydrophobicContact CB-CD2 4.38Å; A138-Y141 VanDerWaalsContact O-CD2 3.29Å; A138-Y141 WeakPolarHBondContact O-CD2 3.37Å; A138-Y141 PolarHBondContact O-N 3.44Å; T139-Y141 PolarHBondContact O-N 3.12Å; Y141-I149 HydrophobicContact CD1-CG2 3.68Å; Y141-I149 HydrophobicContact CD2-CD1 4.23Å; Y141-I149 HydrophobicContact CD2-CG2 3.67Å; Y141-I149 HydrophobicContact CE1-CG2 3.67Å; Y141-I149 HydrophobicContact CE2-CG2 3.67Å; Y141-I149 HydrophobicContact CG-CD1 4.39Å; Y141-I149 HydrophobicContact CG-CG2 3.68Å; Y141-H153 HydrophobicContact CD1-CB 3.87Å; Y141-H153 AromaticContact CD1-ND1 3.84Å; Y141-H153 HydrophobicContact CE1-CB 3.91Å; Y141-T155 HydrophobicContact CD1-CG2 3.65Å; Y141-T155 HydrophobicContact CE1-CG2 3.83Å; Y141-T155 HydrophobicContact CG-CG2 4.5Å; Y141-R190 HydrophobicContact CE2-CB 4.45Å; Y141-R190 VanDerWaalsContact CZ-NH1 3.28Å; Y141-R190 WeakPolarHBondContact OH-CD 3.47Å; Y141-R190 PolarHBondContact OH-NH1 3.05Å; Y141-F192 HydrophobicContact CE2-CZ 4.32Å; Y141-N274 WeakPolarHBondContact CE2-OD1 3.36Å; Y141-N274 VanDerWaalsContact OH-CG 3.31Å; Y141-N274 PolarHBondContact OH-ND2 3.23Å; Y141-N274 PolarHBondContact OH-OD1 3.08Å
142G93.8Very high96.4Very high6 Ų632.6 Ų32.66%0.06219%0.188CC..  trans61.6-152.2-17100000112.3T139 A144 L310T139-G142 PolarHBondContact O-N 3.39Å; T139-G142 VanDerWaalsContact O-N 3.15Å; G142-A144 PolarHBondContact O-N 2.93Å; G142-L310 WeakPolarHBondContact O-CD1 3.39Å
143P92.6Very high96.3Very high61 Ų6132.9 Ų32.940%0.39619%0.189SC..SBendtrans-58120.4170.9-20.831.6000111.3Q145 G158 L310P143-Q145 PolarHBondContact O-N 3.28Å; P143-G158 VanDerWaalsContact CD-O 3.3Å; P143-G158 WeakPolarHBondContact CD-O 3.21Å; P143-L310 HydrophobicContact CB-CD2 4.07Å; P143-L310 HydrophobicContact CG-CD2 3.92Å
144A91.6Very high96.1Very high34 Ų3435.1 Ų35.128%0.28120%0.204SC..  trans-64.6133.2179.900000111.3G142 L147 I149G142-A144 PolarHBondContact O-N 2.93Å; A144-L147 HydrophobicContact CB-CD2 3.96Å; A144-L147 HydrophobicContact CB-CG 4.2Å; A144-I149 HydrophobicContact CB-CD1 3.9Å; A144-I149 HydrophobicContact CB-CG1 4.09Å
145Q92Very high96.1Very high126 Ų12636.5 Ų36.559%0.58921%0.213SC*.SBendtrans-85.5-29.5172.8-60.5-178.817.300111.4P143 H153P143-Q145 PolarHBondContact O-N 3.28Å; Q145-H153 PolarHBondContact N-NE2 3.5Å
146F93.6Very high96Very high91 Ų9137.3 Ų37.340%0.39922%0.222SC..SBendtrans-145.4155.817258.4-93.3000110.1P148 H153F146-P148 WeakPolarHBondContact CD2-O 3.3Å; F146-H153 AromaticContact CD1-CD2 3.75Å; F146-H153 HydrophobicContact CE1-CB 4.34Å; F146-H153 AromaticContact CE1-CD2 3.44Å; F146-H153 VanDerWaalsContact CE1-CD2 3.44Å; F146-H153 WeakPolarHBondContact CE1-CD2 3.38Å; F146-H153 HydrophobicContact CE2-CB 4.46Å; F146-H153 AromaticContact CE2-CD2 3.92Å; F146-H153 HydrophobicContact CZ-CB 3.84Å; F146-H153 AromaticContact CZ-CD2 3.54Å
147L94.2Very high95.8Very high61 Ų6141.8 Ų41.832%0.31925%0.245SC..SBendtrans-128.9142.6175.1-69.6166.5000108.4A144 I149 Y314A144-L147 HydrophobicContact CB-CD2 3.96Å; A144-L147 HydrophobicContact CB-CG 4.2Å; L147-I149 HydrophobicContact CD2-CD1 4.3Å; L147-I149 HydrophobicContact CD2-CG1 3.81Å; L147-Y314 HydrophobicContact CB-CE1 4Å; L147-Y314 HydrophobicContact CB-CE2 4.01Å; L147-Y314 WeakPolarHBondContact CB-OH 3.4Å; L147-Y314 HydrophobicContact CD1-CD1 4.41Å; L147-Y314 HydrophobicContact CD1-CE1 3.76Å; L147-Y314 HydrophobicContact CD2-CD1 4.11Å; L147-Y314 HydrophobicContact CD2-CE1 4.09Å; L147-Y314 HydrophobicContact CD2-CG 4.42Å; L147-Y314 HydrophobicContact CG-CE1 4.18Å
148P97.4Very high95.6Very high61 Ų6143.5 Ų43.540%0.39627%0.265SS..SBendcis-66.7151.7-5.328-34.5000113.6F146 Y314 C315 D316F146-P148 WeakPolarHBondContact CD2-O 3.3Å; P148-Y314 HydrophobicContact CB-CD2 3.81Å; P148-Y314 HydrophobicContact CB-CE2 3.79Å; P148-C315 VanDerWaalsContact CB-C 3.44Å; P148-C315 WeakPolarHBondContact CB-O 3.48Å; P148-D316 HydrophobicContact CB-CB 4.18Å; P148-D316 HydrophobicContact CG-CB 4.21Å
149I98.1Very high95.5Very high1 Ų143.9 Ų43.91%0.00527%0.266CS..BIsolated β-bridgetrans-79.4117.7-179.8-54.7178.1000110.2Y141 A144 L147 H153 F192 N274 V313 Y314 C315 D316Y141-I149 HydrophobicContact CD1-CG2 3.68Å; Y141-I149 HydrophobicContact CD2-CD1 4.23Å; Y141-I149 HydrophobicContact CD2-CG2 3.67Å; Y141-I149 HydrophobicContact CE1-CG2 3.67Å; Y141-I149 HydrophobicContact CE2-CG2 3.67Å; Y141-I149 HydrophobicContact CG-CD1 4.39Å; Y141-I149 HydrophobicContact CG-CG2 3.68Å; A144-I149 HydrophobicContact CB-CD1 3.9Å; A144-I149 HydrophobicContact CB-CG1 4.09Å; L147-I149 HydrophobicContact CD2-CD1 4.3Å; L147-I149 HydrophobicContact CD2-CG1 3.81Å; I149-H153 HydrophobicContact CG2-CB 3.68Å; I149-F192 HydrophobicContact CB-CZ 4.45Å; I149-F192 HydrophobicContact CD1-CE1 4.46Å; I149-N274 PolarHBondContact O-ND2 2.77Å; I149-V313 HydrophobicContact CD1-CG1 4.04Å; I149-Y314 PolarHBondContact N-O 3.38Å; I149-C315 CarbonylContact O-C 3.59Å; I149-C315 VanDerWaalsContact O-CA 3.32Å; I149-C315 WeakPolarHBondContact O-CA 3.48Å; I149-D316 PolarHBondContact O-N 3.19Å
150S98Very high95.2Very high19 Ų1945.1 Ų45.113%0.13327%0.273CS..PPolyproline II helixtrans-94.3168169.471.10000111.9T152 H153S150-T152 PolarHBondContact O-N 3.24Å; S150-T152 VanDerWaalsContact O-N 3.16Å; S150-T152 PolarHBondContact OG-OG1 3.13Å; S150-H153 WeakPolarHBondContact O-CB 3.17Å; S150-H153 PolarHBondContact O-N 3.03Å
151E98.1Very high95Very high28 Ų2845.5 Ų45.513%0.13128%0.275CS..THydrogen-bonded Turntrans-65.2-17.6-179.9-62.686.6167.400113.4H153 I272 Y273 N274 L319E151-H153 VanDerWaalsContact C-N 3.3Å; E151-I272 HydrophobicContact CB-CG2 4.37Å; E151-I272 HydrophobicContact CG-CG2 4.2Å; E151-Y273 WeakPolarHBondContact OE1-CA 3.42Å; E151-N274 PolarHBondContact N-ND2 3.15Å; E151-N274 PolarHBondContact OE1-N 3.33Å; E151-L319 HydrophobicContact CB-CD2 4.35Å; E151-L319 HydrophobicContact CG-CD2 4.08Å
152T96.6Very high95Very high122 Ų12246.4 Ų46.475%0.74828%0.281SS*.THydrogen-bonded Turntrans-80.1-8.9174.265.80000113.7S150S150-T152 PolarHBondContact O-N 3.24Å; S150-T152 VanDerWaalsContact O-N 3.16Å; S150-T152 PolarHBondContact OG-OG1 3.13Å
153H96.7Very high95.1Very high5 Ų547.3 Ų47.32%0.02328%0.283CS..SBendtrans-61.3139.4176.1-170.2-70.9000110.3Y141 Q145 F146 I149 S150 E151Y141-H153 HydrophobicContact CD1-CB 3.87Å; Y141-H153 AromaticContact CD1-ND1 3.84Å; Y141-H153 HydrophobicContact CE1-CB 3.91Å; Q145-H153 PolarHBondContact N-NE2 3.5Å; F146-H153 AromaticContact CD1-CD2 3.75Å; F146-H153 HydrophobicContact CE1-CB 4.34Å; F146-H153 AromaticContact CE1-CD2 3.44Å; F146-H153 VanDerWaalsContact CE1-CD2 3.44Å; F146-H153 WeakPolarHBondContact CE1-CD2 3.38Å; F146-H153 HydrophobicContact CE2-CB 4.46Å; F146-H153 AromaticContact CE2-CD2 3.92Å; F146-H153 HydrophobicContact CZ-CB 3.84Å; F146-H153 AromaticContact CZ-CD2 3.54Å; I149-H153 HydrophobicContact CG2-CB 3.68Å; S150-H153 WeakPolarHBondContact O-CB 3.17Å; S150-H153 PolarHBondContact O-N 3.03Å; E151-H153 VanDerWaalsContact C-N 3.3Å
154P96Very high95.3Very high49 Ų4944.5 Ų44.532%0.31826%0.264SS..  trans-54.4142.6175.8-26.534.5000112.6I157P154-I157 HydrophobicContact CB-CD1 3.71Å
155T97.5Very high95.6Very high31 Ų3146.7 Ų46.719%0.1927%0.268CS..  trans-119.7162175.852.20000111.3V140 Y141 I157V140-T155 HydrophobicContact CB-CG2 4.43Å; V140-T155 HydrophobicContact CG2-CG2 3.86Å; V140-T155 CarbonylContact O-C 3.59Å; V140-T155 VanDerWaalsContact O-CA 3.26Å; V140-T155 WeakPolarHBondContact O-CA 3.22Å; V140-T155 VanDerWaalsContact O-CB 3.3Å; V140-T155 WeakPolarHBondContact O-CB 3.21Å; Y141-T155 HydrophobicContact CD1-CG2 3.65Å; Y141-T155 HydrophobicContact CE1-CG2 3.83Å; Y141-T155 HydrophobicContact CG-CG2 4.5Å; T155-I157 PolarHBondContact O-N 3.42Å
156G96.5Very high95.9Very high25 Ų2540.7 Ų40.726%0.25824%0.24SC..SBendtrans79.1-8.7178.500000114.7V140V140-G156 PolarHBondContact O-N 3.24Å
157I94.8Very high96.2Very high97 Ų9737 Ų3750%0.49722%0.223SC..THydrogen-bonded Turntrans-86.7124.9-179.2-55.8-179.8000109.7P154 T155 L159P154-I157 HydrophobicContact CB-CD1 3.71Å; T155-I157 PolarHBondContact O-N 3.42Å; I157-L159 VanDerWaalsContact C-N 3.29Å; I157-L159 PolarHBondContact O-N 3.39Å
158G93.7Very high96.4Very high49 Ų4936.3 Ų36.351%0.50522%0.217SC..THydrogen-bonded Turntrans67.522171.500000115.4P143 T160P143-G158 VanDerWaalsContact CD-O 3.3Å; P143-G158 WeakPolarHBondContact CD-O 3.21Å; G158-T160 WeakPolarHBondContact O-CG2 3.36Å; G158-T160 PolarHBondContact O-N 3.11Å
159L94.8Very high96.4Very high19 Ų1937.4 Ų37.410%0.09922%0.216CC..  trans-56.4120.8179.7-57.1-171.9000111.8T139 V140 I157 K165 Y168T139-L159 WeakPolarHBondContact O-CD2 3.34Å; V140-L159 WeakPolarHBondContact O-CD2 3.32Å; I157-L159 VanDerWaalsContact C-N 3.29Å; I157-L159 PolarHBondContact O-N 3.39Å; L159-K165 HydrophobicContact CB-CG 3.76Å; L159-K165 HydrophobicContact CD1-CB 4.41Å; L159-K165 HydrophobicContact CD1-CG 3.89Å; L159-K165 HydrophobicContact CG-CG 4.48Å; L159-K165 WeakPolarHBondContact O-CE 3.49Å; L159-Y168 HydrophobicContact CD1-CD1 3.82Å; L159-Y168 HydrophobicContact CD1-CG 3.83Å
160T89.7Confident96.5Very high62 Ų6237.4 Ų37.438%0.3822%0.216SC..  trans-89.5-9.4-165.662.10000115G158 G308G158-T160 WeakPolarHBondContact O-CG2 3.36Å; G158-T160 PolarHBondContact O-N 3.11Å; T160-G308 PolarHBondContact OG1-O 3.2Å; T160-G308 VanDerWaalsContact OG1-O 3.11Å
161N93.5Very high96.5Very high8 Ų836.5 Ų36.54%0.04321%0.209CC..SBendtrans-152.7153.7-173.46086.9000113V99 I103 Y163 G164 K165V99-N161 HydrophobicContact CG1-CB 3.87Å; I103-N161 HydrophobicContact CD1-CB 4.28Å; I103-N161 HydrophobicContact CG1-CB 4.04Å; N161-Y163 VanDerWaalsContact C-N 3.34Å; N161-Y163 PolarHBondContact O-N 3.16Å; N161-Y163 WeakPolarHBondContact OD1-CB 3.43Å; N161-Y163 PolarHBondContact OD1-N 3.39Å; N161-G164 PolarHBondContact O-N 3.15Å; N161-G164 PolarHBondContact OD1-N 3.42Å; N161-K165 PolarHBondContact O-N 2.91Å; N161-K165 VanDerWaalsContact O-N 3.11Å
162P96.1Very high96.5Very high19 Ų1938.2 Ų38.212%0.12322%0.217CC..Hα-helixtrans-60.2-32.6179-30.540.8000115.3S102 P106 Y110 K165 S166S102-P162 WeakPolarHBondContact O-CB 3.2Å; S102-P162 WeakPolarHBondContact O-CG 3.35Å; S102-P162 WeakPolarHBondContact OG-CD 3.48Å; P106-P162 HydrophobicContact CB-CB 4.11Å; P106-P162 HydrophobicContact CB-CG 3.88Å; Y110-P162 HydrophobicContact CE2-CB 4.16Å; P162-K165 PolarHBondContact O-N 3.2Å; P162-S166 WeakPolarHBondContact O-CB 3.39Å; P162-S166 PolarHBondContact O-N 2.86Å
163Y96.4Very high96.6Very high26 Ų2634.5 Ų34.510%0.10219%0.193CC..Hα-helixtrans-58.6-52.3172.8162.7-104.2000111.8L96 K97 V99 S102 Y109 S137 T139 N161 K165 S166 K167L96-Y163 WeakPolarHBondContact O-CD2 3.4Å; K97-Y163 HydrophobicContact CB-CE2 4.07Å; V99-Y163 HydrophobicContact CG2-CD1 3.77Å; V99-Y163 HydrophobicContact CG2-CE1 4.43Å; S102-Y163 PolarHBondContact OG-N 3.1Å; Y109-Y163 HydrophobicContact CE1-CD2 4.32Å; S137-Y163 WeakPolarHBondContact CB-OH 3.39Å; S137-Y163 PolarHBondContact OG-OH 3.27Å; T139-Y163 HydrophobicContact CG2-CD1 4.11Å; T139-Y163 HydrophobicContact CG2-CE1 3.78Å; N161-Y163 VanDerWaalsContact C-N 3.34Å; N161-Y163 PolarHBondContact O-N 3.16Å; N161-Y163 WeakPolarHBondContact OD1-CB 3.43Å; N161-Y163 PolarHBondContact OD1-N 3.39Å; Y163-K165 VanDerWaalsContact C-N 3.32Å; Y163-K165 PolarHBondContact O-N 3.48Å; Y163-S166 PolarHBondContact O-N 3.02Å; Y163-S166 VanDerWaalsContact O-N 3.16Å; Y163-S166 PolarHBondContact O-OG 2.83Å; Y163-K167 HydrophobicContact CD2-CG 4.46Å; Y163-K167 HydrophobicContact CE2-CD 4.4Å; Y163-K167 HydrophobicContact CE2-CG 3.94Å; Y163-K167 PolarHBondContact O-N 3.46Å; Y163-K167 VanDerWaalsContact O-N 3.1Å
164G96.4Very high96.7Very high1 Ų134.3 Ų34.31%0.0119%0.191CC..Hα-helixtrans-61.7-39.8178.100000112.7T139 N161 K167 Y168T139-G164 WeakPolarHBondContact OG1-CA 3.36Å; N161-G164 PolarHBondContact O-N 3.15Å; N161-G164 PolarHBondContact OD1-N 3.42Å; G164-K167 PolarHBondContact O-N 3.24Å; G164-Y168 PolarHBondContact O-N 2.84Å
165K97.9Very high96.9Very high81 Ų8135 Ų3535%0.35219%0.188SC..Hα-helixtrans-61.5-43.6172.8-70.1179.2179.2-177.50112.1Y110 L159 N161 P162 Y163 K167 Y168 F169Y110-K165 HydrophobicContact CE1-CB 4.1Å; Y110-K165 WeakPolarHBondContact OH-CD 3.24Å; L159-K165 HydrophobicContact CB-CG 3.76Å; L159-K165 HydrophobicContact CD1-CB 4.41Å; L159-K165 HydrophobicContact CD1-CG 3.89Å; L159-K165 HydrophobicContact CG-CG 4.48Å; L159-K165 WeakPolarHBondContact O-CE 3.49Å; N161-K165 PolarHBondContact O-N 2.91Å; N161-K165 VanDerWaalsContact O-N 3.11Å; P162-K165 PolarHBondContact O-N 3.2Å; Y163-K165 VanDerWaalsContact C-N 3.32Å; Y163-K165 PolarHBondContact O-N 3.48Å; K165-K167 VanDerWaalsContact C-N 3.34Å; K165-K167 PolarHBondContact O-N 2.89Å; K165-Y168 PolarHBondContact O-N 2.78Å; K165-F169 HydrophobicContact CB-CE2 4.19Å; K165-F169 HydrophobicContact CB-CZ 4.21Å; K165-F169 WeakPolarHBondContact O-CB 3.48Å; K165-F169 WeakPolarHBondContact O-CD2 3.32Å; K165-F169 WeakPolarHBondContact O-CG 3.34Å; K165-F169 PolarHBondContact O-N 2.95Å
166S98.5Very high96.9Very high0 Ų038.9 Ų38.90%021%0.207CC..Hα-helixtrans-61.4-40.9178.375.10000112.4N113 P162 Y163 F169 V170N113-S166 PolarHBondContact ND2-OG 3.29Å; P162-S166 WeakPolarHBondContact O-CB 3.39Å; P162-S166 PolarHBondContact O-N 2.86Å; Y163-S166 PolarHBondContact O-N 3.02Å; Y163-S166 VanDerWaalsContact O-N 3.16Å; Y163-S166 PolarHBondContact O-OG 2.83Å; S166-F169 PolarHBondContact O-N 3.2Å; S166-V170 WeakPolarHBondContact O-CG2 3.25Å; S166-V170 PolarHBondContact O-N 3.38Å; S166-V170 VanDerWaalsContact O-N 3.08Å
167K98.6Very high97Very high13 Ų1338.9 Ų38.96%0.05720%0.201CC..Hα-helixtrans-65-44.1175.1-67.9-60-173.3178.10111.8F134 S135 V140 Y163 G164 K165 V170 E171F134-K167 HydrophobicContact CE1-CD 4.21Å; F134-K167 HydrophobicContact CZ-CD 3.68Å; S135-K167 WeakPolarHBondContact O-CE 3.38Å; S135-K167 PolarHBondContact O-NZ 3.27Å; V140-K167 HydrophobicContact CG1-CB 3.81Å; Y163-K167 HydrophobicContact CD2-CG 4.46Å; Y163-K167 HydrophobicContact CE2-CD 4.4Å; Y163-K167 HydrophobicContact CE2-CG 3.94Å; Y163-K167 PolarHBondContact O-N 3.46Å; Y163-K167 VanDerWaalsContact O-N 3.1Å; G164-K167 PolarHBondContact O-N 3.24Å; K165-K167 VanDerWaalsContact C-N 3.34Å; K165-K167 PolarHBondContact O-N 2.89Å; K167-V170 PolarHBondContact O-N 3.44Å; K167-E171 PolarHBondContact O-N 3.18Å
168Y98.6Very high97.2Very high47 Ų4737.8 Ų37.818%0.18419%0.192CC..Hα-helixtrans-62.5-45.4176.6173.4-113.6000112L159 G164 K165 V170 E171 E172L159-Y168 HydrophobicContact CD1-CD1 3.82Å; L159-Y168 HydrophobicContact CD1-CG 3.83Å; G164-Y168 PolarHBondContact O-N 2.84Å; K165-Y168 PolarHBondContact O-N 2.78Å; Y168-V170 VanDerWaalsContact C-N 3.31Å; Y168-V170 PolarHBondContact O-N 3.06Å; Y168-E171 WeakPolarHBondContact O-CB 3.48Å; Y168-E171 PolarHBondContact O-N 2.83Å; Y168-E172 HydrophobicContact CD2-CG 4.32Å; Y168-E172 HydrophobicContact CE1-CG 4.03Å; Y168-E172 HydrophobicContact CE2-CG 3.74Å; Y168-E172 PolarHBondContact O-N 2.89Å; Y168-E172 PolarHBondContact OH-OE2 3.34Å; Y168-E172 VanDerWaalsContact OH-OE2 3.13Å
169F98.7Very high97.4Very high84 Ų8439.4 Ų39.437%0.36820%0.2SC..Hα-helixtrans-61.9-38.1177.8-63.5-18.9000112.6Y110 V114 K165 S166 E172 I173Y110-F169 HydrophobicContact CD1-CD2 4.29Å; Y110-F169 HydrophobicContact CD1-CE2 4.4Å; Y110-F169 AromaticContact CE1-CD2 3.92Å; Y110-F169 HydrophobicContact CE1-CD2 3.92Å; Y110-F169 AromaticContact CE1-CE2 3.7Å; Y110-F169 HydrophobicContact CE1-CE2 3.7Å; V114-F169 HydrophobicContact CG2-CB 4.4Å; K165-F169 HydrophobicContact CB-CE2 4.19Å; K165-F169 HydrophobicContact CB-CZ 4.21Å; K165-F169 WeakPolarHBondContact O-CB 3.48Å; K165-F169 WeakPolarHBondContact O-CD2 3.32Å; K165-F169 WeakPolarHBondContact O-CG 3.34Å; K165-F169 PolarHBondContact O-N 2.95Å; S166-F169 PolarHBondContact O-N 3.2Å; F169-E172 PolarHBondContact O-N 3.01Å; F169-I173 WeakPolarHBondContact O-CD1 3.46Å; F169-I173 VanDerWaalsContact O-CG1 3.27Å; F169-I173 WeakPolarHBondContact O-CG1 3.37Å; F169-I173 PolarHBondContact O-N 2.74Å
170V98.8Very high97.5Very high1 Ų143.1 Ų43.11%0.00623%0.227CC..Hα-helixtrans-66.2-38.1173.3174.10000111.6N113 V114 T117 F134 S166 K167 Y168 E172 I173 L174N113-V170 VanDerWaalsContact O-CG2 3.24Å; N113-V170 WeakPolarHBondContact O-CG2 3.35Å; V114-V170 HydrophobicContact CG2-CG2 4.37Å; T117-V170 HydrophobicContact CG2-CG1 3.77Å; T117-V170 HydrophobicContact CG2-CG2 4.44Å; F134-V170 HydrophobicContact CD1-CG1 4.05Å; F134-V170 HydrophobicContact CD2-CG1 4.05Å; F134-V170 HydrophobicContact CE1-CB 3.93Å; F134-V170 HydrophobicContact CE1-CG1 3.58Å; F134-V170 HydrophobicContact CE2-CB 4.33Å; F134-V170 HydrophobicContact CE2-CG1 3.57Å; F134-V170 HydrophobicContact CG-CG1 4.26Å; F134-V170 HydrophobicContact CZ-CB 3.65Å; F134-V170 HydrophobicContact CZ-CG1 3.31Å; F134-V170 HydrophobicContact CZ-CG2 4.3Å; S166-V170 WeakPolarHBondContact O-CG2 3.25Å; S166-V170 PolarHBondContact O-N 3.38Å; S166-V170 VanDerWaalsContact O-N 3.08Å; K167-V170 PolarHBondContact O-N 3.44Å; Y168-V170 VanDerWaalsContact C-N 3.31Å; Y168-V170 PolarHBondContact O-N 3.06Å; V170-E172 VanDerWaalsContact C-N 3.34Å; V170-E172 PolarHBondContact O-N 3.43Å; V170-I173 PolarHBondContact O-N 3.2Å; V170-L174 HydrophobicContact CG1-CD1 3.88Å; V170-L174 HydrophobicContact CG1-CG 4.33Å; V170-L174 WeakPolarHBondContact O-CB 3.09Å; V170-L174 VanDerWaalsContact O-CG 3.27Å; V170-L174 WeakPolarHBondContact O-CG 3.22Å; V170-L174 PolarHBondContact O-N 3.02Å
171E98.8Very high97.9Very high0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-59.6-44.3171.9-68.5-161.5-17700111.9F134 S136 K167 Y168 L174 R175 L188 R190F134-E171 HydrophobicContact CE1-CG 4.47Å; S136-E171 VanDerWaalsContact CB-OE1 3.3Å; S136-E171 WeakPolarHBondContact CB-OE1 3.44Å; S136-E171 PolarHBondContact OG-OE1 3.21Å; K167-E171 PolarHBondContact O-N 3.18Å; Y168-E171 WeakPolarHBondContact O-CB 3.48Å; Y168-E171 PolarHBondContact O-N 2.83Å; E171-L174 PolarHBondContact O-N 3.36Å; E171-R175 VanDerWaalsContact O-CG 3.29Å; E171-R175 WeakPolarHBondContact O-CG 3.28Å; E171-R175 PolarHBondContact O-N 3.27Å; E171-R175 IonicContact OE2-NH2 2.97Å; E171-R175 PolarHBondContact OE2-NH2 2.79Å; E171-L188 HydrophobicContact CB-CD1 4.01Å; E171-L188 HydrophobicContact CG-CD1 3.88Å; E171-R190 WeakPolarHBondContact OE1-CG 3.4Å; E171-R190 IonicContact OE1-CZ 2.77Å; E171-R190 IonicContact OE1-NE 3.39Å; E171-R190 PolarHBondContact OE1-NE 2.83Å; E171-R190 IonicContact OE1-NH2 3.45Å; E171-R190 IonicContact OE2-CZ 2.91Å; E171-R190 IonicContact OE2-NE 3.41Å; E171-R190 PolarHBondContact OE2-NE 2.83Å; E171-R190 IonicContact OE2-NH2 3.76Å; E171-R190 PolarHBondContact OE2-NH2 3.08Å
172E98.7Very high97.9Very high63 Ų6348 Ų4829%0.29425%0.252SS..Hα-helixtrans-64-44.3178.1-63.1-63.59500111.6Y168 F169 V170 L174 R175 D176Y168-E172 HydrophobicContact CD2-CG 4.32Å; Y168-E172 HydrophobicContact CE1-CG 4.03Å; Y168-E172 HydrophobicContact CE2-CG 3.74Å; Y168-E172 PolarHBondContact O-N 2.89Å; Y168-E172 PolarHBondContact OH-OE2 3.34Å; Y168-E172 VanDerWaalsContact OH-OE2 3.13Å; F169-E172 PolarHBondContact O-N 3.01Å; V170-E172 VanDerWaalsContact C-N 3.34Å; V170-E172 PolarHBondContact O-N 3.43Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 2.94Å; E172-R175 WeakPolarHBondContact O-CB 3.33Å; E172-R175 PolarHBondContact O-N 3.18Å; E172-R175 VanDerWaalsContact O-N 3.14Å; E172-R175 WeakPolarHBondContact OE1-CD 3.23Å; E172-R175 IonicContact OE1-NE 2.82Å; E172-R175 PolarHBondContact OE1-NE 3.19Å; E172-D176 PolarHBondContact O-N 2.98Å
173I98.8Very high98Very high45 Ų4552.6 Ų52.623%0.23128%0.275CS..Hα-helixtrans-56.2-44.7174.6-71.4162.1000111V114 L118 L121 F169 V170 D176 L177V114-I173 HydrophobicContact CG1-CD1 3.73Å; L118-I173 HydrophobicContact CD2-CD1 4.04Å; L118-I173 HydrophobicContact CD2-CG2 3.87Å; L118-I173 HydrophobicContact CG-CD1 4.27Å; L121-I173 HydrophobicContact CD1-CG2 3.78Å; F169-I173 WeakPolarHBondContact O-CD1 3.46Å; F169-I173 VanDerWaalsContact O-CG1 3.27Å; F169-I173 WeakPolarHBondContact O-CG1 3.37Å; F169-I173 PolarHBondContact O-N 2.74Å; V170-I173 PolarHBondContact O-N 3.2Å; I173-D176 PolarHBondContact O-N 3.5Å; I173-L177 VanDerWaalsContact O-CB 3.31Å; I173-L177 WeakPolarHBondContact O-CB 3.03Å; I173-L177 PolarHBondContact O-N 3.5Å
174L98.8Very high98.1Very high0 Ų051.6 Ų51.60%027%0.271CS..Hα-helixtrans-68.9-35179.2-71.5169.9000112.3L121 I132 F134 V170 E171 E172 Y178 I186 L188L121-L174 HydrophobicContact CD1-CD2 3.93Å; L121-L174 HydrophobicContact CD2-CD2 3.79Å; L121-L174 HydrophobicContact CG-CD2 4.48Å; I132-L174 HydrophobicContact CD1-CD2 4.46Å; I132-L174 HydrophobicContact CG2-CD2 4.19Å; F134-L174 HydrophobicContact CB-CD1 3.81Å; F134-L174 HydrophobicContact CD1-CD1 4.05Å; F134-L174 HydrophobicContact CG-CD1 3.92Å; V170-L174 HydrophobicContact CG1-CD1 3.88Å; V170-L174 HydrophobicContact CG1-CG 4.33Å; V170-L174 WeakPolarHBondContact O-CB 3.09Å; V170-L174 VanDerWaalsContact O-CG 3.27Å; V170-L174 WeakPolarHBondContact O-CG 3.22Å; V170-L174 PolarHBondContact O-N 3.02Å; E171-L174 PolarHBondContact O-N 3.36Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 2.94Å; L174-Y178 PolarHBondContact O-N 3.25Å; L174-I186 HydrophobicContact CB-CD1 4.09Å; L174-I186 HydrophobicContact CB-CG2 4.09Å; L174-I186 HydrophobicContact CD1-CG2 4.26Å; L174-I186 HydrophobicContact CD2-CD1 4.13Å; L174-I186 HydrophobicContact CD2-CG2 4.39Å; L174-I186 HydrophobicContact CG-CG2 4.49Å; L174-I186 WeakPolarHBondContact O-CD1 3.45Å; L174-L188 HydrophobicContact CB-CD2 4.25Å; L174-L188 HydrophobicContact CD1-CD2 3.47Å; L174-L188 VanDerWaalsContact CD1-CD2 3.47Å; L174-L188 HydrophobicContact CG-CD2 4.5Å
175R98.6Very high98.2Very high64 Ų6452 Ų5224%0.24227%0.273CS..Hα-helixtrans-65-46.9173.1-73.2172.2-165.1-74.1-4.1111.6E171 E172 L177 Y178 A179 R190 L270E171-R175 VanDerWaalsContact O-CG 3.29Å; E171-R175 WeakPolarHBondContact O-CG 3.28Å; E171-R175 PolarHBondContact O-N 3.27Å; E171-R175 IonicContact OE2-NH2 2.97Å; E171-R175 PolarHBondContact OE2-NH2 2.79Å; E172-R175 WeakPolarHBondContact O-CB 3.33Å; E172-R175 PolarHBondContact O-N 3.18Å; E172-R175 VanDerWaalsContact O-N 3.14Å; E172-R175 WeakPolarHBondContact OE1-CD 3.23Å; E172-R175 IonicContact OE1-NE 2.82Å; E172-R175 PolarHBondContact OE1-NE 3.19Å; R175-L177 VanDerWaalsContact C-N 3.3Å; R175-L177 PolarHBondContact O-N 3.28Å; R175-Y178 PolarHBondContact O-N 3.02Å; R175-A179 WeakPolarHBondContact O-CB 3.39Å; R175-A179 PolarHBondContact O-N 3.03Å; R175-R190 VanDerWaalsContact NH2-NH2 3.2Å; R175-L270 HydrophobicContact CG-CD2 3.81Å
176D98.6Very high98.2Very high112 Ų11248.2 Ų48.260%0.59926%0.256SS*.Hα-helixtrans-64.2-38.8178.6-73.7-18.6000111E172 I173 A179 S180E172-D176 PolarHBondContact O-N 2.98Å; I173-D176 PolarHBondContact O-N 3.5Å; D176-A179 PolarHBondContact O-N 3.05Å; D176-S180 WeakPolarHBondContact O-CB 3.42Å; D176-S180 PolarHBondContact O-N 3.47Å; D176-S180 PolarHBondContact O-OG 3.01Å
177L98.4Very high98.2Very high26 Ų2648.2 Ų48.214%0.13626%0.256CS..Hα-helixtrans-58.3-52173.118059.4000111.1L121 I173 R175 A179 S180 D181 W184L121-L177 HydrophobicContact CD1-CD2 4.31Å; L121-L177 HydrophobicContact CD2-CD2 3.98Å; I173-L177 VanDerWaalsContact O-CB 3.31Å; I173-L177 WeakPolarHBondContact O-CB 3.03Å; I173-L177 PolarHBondContact O-N 3.5Å; R175-L177 VanDerWaalsContact C-N 3.3Å; R175-L177 PolarHBondContact O-N 3.28Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.34Å; L177-S180 PolarHBondContact O-N 3.26Å; L177-S180 VanDerWaalsContact O-N 3.14Å; L177-S180 PolarHBondContact O-OG 3.11Å; L177-D181 PolarHBondContact O-N 2.9Å; L177-W184 HydrophobicContact CD1-CZ2 4.22Å; L177-W184 HydrophobicContact CD2-CD2 3.72Å; L177-W184 HydrophobicContact CD2-CE3 3.75Å; L177-W184 HydrophobicContact CD2-CG 4.43Å; L177-W184 HydrophobicContact CD2-CH2 3.84Å; L177-W184 HydrophobicContact CD2-CZ2 3.83Å; L177-W184 HydrophobicContact CD2-CZ3 3.8Å; L177-W184 HydrophobicContact CG-CD2 3.97Å; L177-W184 HydrophobicContact CG-CE3 4.47Å; L177-W184 HydrophobicContact CG-CG 4.21Å; L177-W184 HydrophobicContact CG-CZ2 4.37Å
178Y98.5Very high98.2Very high74 Ų7447.6 Ų47.629%0.2925%0.254SS..Hα-helixtrans-62.9-36.1177.2-180-109.3000113.1L174 R175 S180 D181 N182 W184 G269 L270L174-Y178 PolarHBondContact O-N 3.25Å; R175-Y178 PolarHBondContact O-N 3.02Å; Y178-S180 VanDerWaalsContact C-N 3.29Å; Y178-S180 PolarHBondContact O-N 3.41Å; Y178-D181 WeakPolarHBondContact CA-O 3.46Å; Y178-D181 CarbonylContact O-C 3.28Å; Y178-D181 VanDerWaalsContact O-C 3.28Å; Y178-D181 PolarHBondContact O-N 3.43Å; Y178-N182 HydrophobicContact CE2-CB 4.23Å; Y178-W184 HydrophobicContact CD2-CB 4.26Å; Y178-W184 VanDerWaalsContact CD2-O 3.25Å; Y178-W184 WeakPolarHBondContact CD2-O 3.41Å; Y178-W184 VanDerWaalsContact CE2-O 3.28Å; Y178-W184 WeakPolarHBondContact CE2-O 3.14Å; Y178-G269 VanDerWaalsContact CE2-CA 3.42Å; Y178-L270 HydrophobicContact CD1-CB 3.58Å; Y178-L270 HydrophobicContact CD1-CD2 4.42Å; Y178-L270 HydrophobicContact CD2-CB 4.44Å; Y178-L270 HydrophobicContact CE1-CB 3.86Å; Y178-L270 HydrophobicContact CG-CB 3.89Å
179A98.2Very high98.3Very high83 Ų8345.3 Ų45.369%0.68625%0.245SC*.Hα-helixtrans-66.4-32.617600000112.3R175 D176 L177R175-A179 WeakPolarHBondContact O-CB 3.39Å; R175-A179 PolarHBondContact O-N 3.03Å; D176-A179 PolarHBondContact O-N 3.05Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.34Å
180S97.8Very high98.3Very high96 Ų9641.5 Ų41.567%0.67123%0.228SC*.Hα-helixtrans-80.3-30.4176.374.20000113.7D176 L177 Y178D176-S180 WeakPolarHBondContact O-CB 3.42Å; D176-S180 PolarHBondContact O-N 3.47Å; D176-S180 PolarHBondContact O-OG 3.01Å; L177-S180 PolarHBondContact O-N 3.26Å; L177-S180 VanDerWaalsContact O-N 3.14Å; L177-S180 PolarHBondContact O-OG 3.11Å; Y178-S180 VanDerWaalsContact C-N 3.29Å; Y178-S180 PolarHBondContact O-N 3.41Å
181D97.4Very high98.2Very high55 Ų5542.1 Ų42.129%0.29423%0.23SC..  trans-146.3104.3-176.1179.62.6000110L177 Y178 D183 W184L177-D181 PolarHBondContact O-N 2.9Å; Y178-D181 WeakPolarHBondContact CA-O 3.46Å; Y178-D181 CarbonylContact O-C 3.28Å; Y178-D181 VanDerWaalsContact O-C 3.28Å; Y178-D181 PolarHBondContact O-N 3.43Å; D181-D183 VanDerWaalsContact C-N 3.25Å; D181-D183 PolarHBondContact O-N 2.77Å; D181-D183 WeakPolarHBondContact OD1-CB 3.38Å; D181-D183 PolarHBondContact OD1-N 3.2Å; D181-D183 VanDerWaalsContact OD1-N 3.13Å; D181-W184 VanDerWaalsContact CG-CD1 3.48Å; D181-W184 PolarHBondContact O-N 3.47Å; D181-W184 VanDerWaalsContact OD2-CD1 3.29Å; D181-W184 PolarHBondContact OD2-NE1 3.35Å; D181-W184 VanDerWaalsContact OD2-NE1 3.13Å
182N94.3Very high98.1Very high119 Ų11942.6 Ų42.664%0.63623%0.232SC*.THydrogen-bonded Turntrans-82.22.1-174.266.7-2000114.1Y178Y178-N182 HydrophobicContact CE2-CB 4.23Å
183D96.4Very high98Very high114 Ų11441.7 Ų41.761%0.6123%0.229SC*.THydrogen-bonded Turntrans-77.3-10.9170.8-75.8-27.3000112.4S130 D181S130-D183 PolarHBondContact OG-O 2.99Å; D181-D183 VanDerWaalsContact C-N 3.25Å; D181-D183 PolarHBondContact O-N 2.77Å; D181-D183 WeakPolarHBondContact OD1-CB 3.38Å; D181-D183 PolarHBondContact OD1-N 3.2Å; D181-D183 VanDerWaalsContact OD1-N 3.13Å
184W98.5Very high98Very high5 Ų541.1 Ų41.12%0.01923%0.229CC..  trans-71.2134.5173.2-74.476.7000112.7L121 M124 Q125 S130 I132 L177 Y178 D181 I186 G269L121-W184 HydrophobicContact CD2-CH2 4.19Å; L121-W184 HydrophobicContact CD2-CZ3 3.97Å; M124-W184 HydrophobicContact CB-CH2 3.92Å; M124-W184 HydrophobicContact CE-CH2 4.33Å; M124-W184 HydrophobicContact CE-CZ3 3.86Å; Q125-W184 HydrophobicContact CB-CZ2 4.29Å; S130-W184 CarbonylContact O-C 3.52Å; S130-W184 WeakPolarHBondContact O-CA 3.44Å; I132-W184 HydrophobicContact CG2-CE3 4.43Å; I132-W184 HydrophobicContact CG2-CZ3 4.49Å; L177-W184 HydrophobicContact CD1-CZ2 4.22Å; L177-W184 HydrophobicContact CD2-CD2 3.72Å; L177-W184 HydrophobicContact CD2-CE3 3.75Å; L177-W184 HydrophobicContact CD2-CG 4.43Å; L177-W184 HydrophobicContact CD2-CH2 3.84Å; L177-W184 HydrophobicContact CD2-CZ2 3.83Å; L177-W184 HydrophobicContact CD2-CZ3 3.8Å; L177-W184 HydrophobicContact CG-CD2 3.97Å; L177-W184 HydrophobicContact CG-CE3 4.47Å; L177-W184 HydrophobicContact CG-CG 4.21Å; L177-W184 HydrophobicContact CG-CZ2 4.37Å; Y178-W184 HydrophobicContact CD2-CB 4.26Å; Y178-W184 VanDerWaalsContact CD2-O 3.25Å; Y178-W184 WeakPolarHBondContact CD2-O 3.41Å; Y178-W184 VanDerWaalsContact CE2-O 3.28Å; Y178-W184 WeakPolarHBondContact CE2-O 3.14Å; D181-W184 VanDerWaalsContact CG-CD1 3.48Å; D181-W184 PolarHBondContact O-N 3.47Å; D181-W184 VanDerWaalsContact OD2-CD1 3.29Å; D181-W184 PolarHBondContact OD2-NE1 3.35Å; D181-W184 VanDerWaalsContact OD2-NE1 3.13Å; W184-I186 HydrophobicContact CB-CD1 4.14Å; W184-I186 HydrophobicContact CB-CG1 4.04Å; W184-I186 HydrophobicContact CE3-CG1 4.5Å; W184-G269 WeakPolarHBondContact O-CA 3.46Å
185N98.7Very high98Very high11 Ų1141.4 Ų41.46%0.05923%0.23CC..EExtended strand (participates in β ladder)trans-110.8111168.9-56.1-70.1000108.7S130 N131 I132 I264 K267 C268 G269S130-N185 PolarHBondContact O-N 3.19Å; N131-N185 WeakPolarHBondContact CA-O 3.47Å; N131-N185 WeakPolarHBondContact OD1-CB 3.28Å; N131-N185 PolarHBondContact OD1-ND2 3.18Å; I132-N185 PolarHBondContact N-O 2.99Å; N185-I264 HydrophobicContact CB-CD1 3.99Å; N185-I264 VanDerWaalsContact O-CD1 3.32Å; N185-I264 WeakPolarHBondContact O-CD1 3.13Å; N185-K267 WeakPolarHBondContact OD1-CA 3.38Å; N185-C268 PolarHBondContact OD1-N 2.87Å; N185-C268 VanDerWaalsContact OD1-N 3.15Å; N185-G269 CarbonylContact C-O 3.56Å; N185-G269 WeakPolarHBondContact CA-O 3.32Å; N185-G269 PolarHBondContact OD1-N 3.26Å
186I98.8Very high98Very high0 Ų038.5 Ų38.50%022%0.22CC..EExtended strand (participates in β ladder)trans-123.5122.1-171.4-55.2-176.5000107.9I132 L174 W184 L188 G269 L270 K271I132-I186 HydrophobicContact CG2-CB 4.23Å; I132-I186 HydrophobicContact CG2-CG1 3.84Å; I132-I186 HydrophobicContact CG2-CG2 4.09Å; I132-I186 WeakPolarHBondContact O-CA 3.33Å; L174-I186 HydrophobicContact CB-CD1 4.09Å; L174-I186 HydrophobicContact CB-CG2 4.09Å; L174-I186 HydrophobicContact CD1-CG2 4.26Å; L174-I186 HydrophobicContact CD2-CD1 4.13Å; L174-I186 HydrophobicContact CD2-CG2 4.39Å; L174-I186 HydrophobicContact CG-CG2 4.49Å; L174-I186 WeakPolarHBondContact O-CD1 3.45Å; W184-I186 HydrophobicContact CB-CD1 4.14Å; W184-I186 HydrophobicContact CB-CG1 4.04Å; W184-I186 HydrophobicContact CE3-CG1 4.5Å; I186-L188 HydrophobicContact CG2-CD2 3.68Å; I186-L188 HydrophobicContact CG2-CG 4.2Å; I186-G269 PolarHBondContact N-O 3.4Å; I186-L270 HydrophobicContact CB-CD1 3.7Å; I186-L270 HydrophobicContact CG2-CD1 3.6Å; I186-L270 CarbonylContact O-C 3.44Å; I186-L270 WeakPolarHBondContact O-CA 3.47Å; I186-K271 PolarHBondContact O-N 2.93Å
187V98.8Very high98Very high0 Ų033.1 Ų33.10%019%0.192CC..EExtended strand (participates in β ladder)trans-112.4116169-178.70000109.2I132 I133 F134 L189 I264 K271 Y273I132-V187 PolarHBondContact O-N 3.4Å; I133-V187 CarbonylContact C-O 3.57Å; I133-V187 WeakPolarHBondContact CA-O 3.49Å; I133-V187 HydrophobicContact CG1-CB 4.14Å; F134-V187 PolarHBondContact N-O 2.86Å; V187-L189 HydrophobicContact CG1-CD2 3.39Å; V187-L189 HydrophobicContact CG1-CG 3.79Å; V187-I264 HydrophobicContact CB-CD1 4.33Å; V187-I264 HydrophobicContact CG2-CD1 3.62Å; V187-I264 HydrophobicContact CG2-CG1 3.92Å; V187-K271 CarbonylContact C-O 3.55Å; V187-K271 WeakPolarHBondContact CA-O 3.49Å; V187-K271 HydrophobicContact CG2-CB 4.39Å; V187-Y273 HydrophobicContact CG1-CD2 3.79Å; V187-Y273 HydrophobicContact CG1-CE2 3.97Å
188L98.8Very high98Very high0 Ų034 Ų340%020%0.195CC..EExtended strand (participates in β ladder)trans-93.1109.1173-51.7-178.9000108.6F134 E171 L174 I186 L270 K271 I272 Y273F134-L188 HydrophobicContact CB-CD2 4.01Å; F134-L188 HydrophobicContact CD1-CD2 4.09Å; E171-L188 HydrophobicContact CB-CD1 4.01Å; E171-L188 HydrophobicContact CG-CD1 3.88Å; L174-L188 HydrophobicContact CB-CD2 4.25Å; L174-L188 HydrophobicContact CD1-CD2 3.47Å; L174-L188 VanDerWaalsContact CD1-CD2 3.47Å; L174-L188 HydrophobicContact CG-CD2 4.5Å; I186-L188 HydrophobicContact CG2-CD2 3.68Å; I186-L188 HydrophobicContact CG2-CG 4.2Å; L188-L270 HydrophobicContact CD1-CD1 4.07Å; L188-L270 HydrophobicContact CG-CD1 4.06Å; L188-K271 PolarHBondContact N-O 3.29Å; L188-I272 HydrophobicContact CB-CG1 4.2Å; L188-I272 HydrophobicContact CB-CG2 4.34Å; L188-I272 HydrophobicContact CD1-CD1 4.29Å; L188-I272 HydrophobicContact CD1-CG1 4.1Å; L188-I272 HydrophobicContact CG-CG1 4.4Å; L188-I272 VanDerWaalsContact O-CA 3.31Å; L188-I272 WeakPolarHBondContact O-CA 3.45Å; L188-Y273 PolarHBondContact O-N 3.17Å
189L98.8Very high98Very high0 Ų033 Ų330%020%0.197CC..EExtended strand (participates in β ladder)trans-103.5114.1178.3-54.1173.5000110I133 F134 S136 V187 Y191 Y273 L275I133-L189 HydrophobicContact CG2-CD1 3.46Å; I133-L189 VanDerWaalsContact CG2-CD1 3.46Å; I133-L189 HydrophobicContact CG2-CG 4Å; F134-L189 PolarHBondContact O-N 2.86Å; S136-L189 CarbonylContact C-O 3.41Å; S136-L189 VanDerWaalsContact CA-O 3.29Å; S136-L189 WeakPolarHBondContact CA-O 3.43Å; S136-L189 WeakPolarHBondContact CB-O 3.45Å; S136-L189 PolarHBondContact N-O 2.75Å; V187-L189 HydrophobicContact CG1-CD2 3.39Å; V187-L189 HydrophobicContact CG1-CG 3.79Å; L189-Y191 HydrophobicContact CB-CD1 3.99Å; L189-Y191 HydrophobicContact CB-CE1 3.13Å; L189-Y191 WeakPolarHBondContact CB-OH 3.33Å; L189-Y191 HydrophobicContact CD1-CE1 3.98Å; L189-Y191 HydrophobicContact CG-CE1 4.17Å; L189-Y191 WeakPolarHBondContact O-CE1 3.38Å; L189-Y191 PolarHBondContact O-N 3.23Å; L189-Y273 WeakPolarHBondContact CA-O 3.25Å; L189-Y273 HydrophobicContact CD2-CD2 3.85Å; L189-Y273 HydrophobicContact CD2-CG 4.38Å; L189-L275 HydrophobicContact CB-CD1 4.19Å; L189-L275 HydrophobicContact CB-CG 4.45Å; L189-L275 HydrophobicContact CD1-CD1 4.01Å; L189-L275 HydrophobicContact CD2-CD1 4.19Å; L189-L275 HydrophobicContact CD2-CG 4.38Å; L189-L275 HydrophobicContact CG-CD1 4.38Å
190R98.7Very high98Very high3 Ų330.5 Ų30.51%0.01118%0.175CC..EExtended strand (participates in β ladder)trans-93.296.8-178.1-67.5171.7-179.9168.5-2.6109.1V140 Y141 E171 R175 Y273 L275V140-R190 HydrophobicContact CG2-CG 4.23Å; Y141-R190 HydrophobicContact CE2-CB 4.45Å; Y141-R190 VanDerWaalsContact CZ-NH1 3.28Å; Y141-R190 WeakPolarHBondContact OH-CD 3.47Å; Y141-R190 PolarHBondContact OH-NH1 3.05Å; E171-R190 WeakPolarHBondContact OE1-CG 3.4Å; E171-R190 IonicContact OE1-CZ 2.77Å; E171-R190 IonicContact OE1-NE 3.39Å; E171-R190 PolarHBondContact OE1-NE 2.83Å; E171-R190 IonicContact OE1-NH2 3.45Å; E171-R190 IonicContact OE2-CZ 2.91Å; E171-R190 IonicContact OE2-NE 3.41Å; E171-R190 PolarHBondContact OE2-NE 2.83Å; E171-R190 IonicContact OE2-NH2 3.76Å; E171-R190 PolarHBondContact OE2-NH2 3.08Å; R175-R190 VanDerWaalsContact NH2-NH2 3.2Å; R190-Y273 PolarHBondContact N-O 3.34Å; R190-L275 PolarHBondContact O-N 3.02Å; R190-L275 VanDerWaalsContact O-N 3.07Å
191Y97.2Very high98Very high14 Ų1426 Ų266%0.05514%0.144CC..EExtended strand (participates in β ladder)trans-80.4146.5179.9-42.2-31000110.8S135 A138 L189 L253 H257 L275S135-Y191 VanDerWaalsContact CA-OH 3.29Å; S135-Y191 WeakPolarHBondContact CA-OH 3.46Å; S135-Y191 PolarHBondContact OG-OH 3.22Å; A138-Y191 PolarHBondContact N-O 3.04Å; L189-Y191 HydrophobicContact CB-CD1 3.99Å; L189-Y191 HydrophobicContact CB-CE1 3.13Å; L189-Y191 WeakPolarHBondContact CB-OH 3.33Å; L189-Y191 HydrophobicContact CD1-CE1 3.98Å; L189-Y191 HydrophobicContact CG-CE1 4.17Å; L189-Y191 WeakPolarHBondContact O-CE1 3.38Å; L189-Y191 PolarHBondContact O-N 3.23Å; Y191-L253 HydrophobicContact CD1-CD1 3.48Å; Y191-L253 VanDerWaalsContact CD1-CD1 3.48Å; Y191-L253 HydrophobicContact CD1-CD2 4.41Å; Y191-L253 HydrophobicContact CD1-CG 4.34Å; Y191-L253 HydrophobicContact CD2-CD1 4.38Å; Y191-L253 HydrophobicContact CD2-CD2 3.84Å; Y191-L253 HydrophobicContact CD2-CG 4.49Å; Y191-L253 HydrophobicContact CE1-CD1 3.99Å; Y191-L253 HydrophobicContact CE2-CD2 4.47Å; Y191-L253 HydrophobicContact CG-CD1 3.74Å; Y191-L253 HydrophobicContact CG-CD2 3.89Å; Y191-L253 HydrophobicContact CG-CG 4.31Å; Y191-H257 AromaticContact CE1-CE1 3.5Å; Y191-H257 VanDerWaalsContact CE1-CE1 3.5Å; Y191-H257 WeakPolarHBondContact CE1-CE1 3.4Å; Y191-H257 AromaticContact CE1-NE2 3.87Å; Y191-H257 AromaticContact CE2-CE1 3.63Å; Y191-H257 AromaticContact CE2-NE2 3.62Å; Y191-H257 AromaticContact CZ-CE1 3.13Å; Y191-H257 AromaticContact CZ-NE2 3.1Å; Y191-H257 PolarHBondContact OH-CD2 3.18Å; Y191-H257 PolarHBondContact OH-CE1 3.13Å; Y191-H257 PolarHBondContact OH-NE2 3.08Å; Y191-L275 HydrophobicContact CD1-CB 4.02Å; Y191-L275 HydrophobicContact CD1-CD1 3.97Å; Y191-L275 HydrophobicContact CD1-CG 4.21Å; Y191-L275 HydrophobicContact CE1-CD1 3.74Å; Y191-L275 HydrophobicContact CE1-CG 4.35Å
192F97.2Very high98Very high10 Ų1026.3 Ų26.34%0.04414%0.143CC..  trans-87.8-120.3170.9-75.1-110.1000109A138 Y141 I149 P194 D246 N274 L275 V313 Y314 C315A138-F192 HydrophobicContact CB-CD1 3.79Å; A138-F192 HydrophobicContact CB-CD2 3.99Å; A138-F192 HydrophobicContact CB-CE1 3.68Å; A138-F192 HydrophobicContact CB-CE2 3.8Å; A138-F192 HydrophobicContact CB-CG 3.93Å; A138-F192 HydrophobicContact CB-CZ 3.64Å; Y141-F192 HydrophobicContact CE2-CZ 4.32Å; I149-F192 HydrophobicContact CB-CZ 4.45Å; I149-F192 HydrophobicContact CD1-CE1 4.46Å; F192-P194 WeakPolarHBondContact O-CD 3.48Å; F192-D246 HydrophobicContact CB-CB 3.93Å; F192-D246 WeakPolarHBondContact CB-O 3.46Å; F192-D246 HydrophobicContact CD1-CB 3.77Å; F192-D246 HydrophobicContact CG-CB 4.06Å; F192-N274 HydrophobicContact CE2-CB 4.08Å; F192-L275 PolarHBondContact N-O 3.48Å; F192-V313 HydrophobicContact CD1-CG1 4.01Å; F192-V313 HydrophobicContact CE1-CG1 3.7Å; F192-Y314 VanDerWaalsContact CE1-C 3.46Å; F192-C315 HydrophobicContact CD1-CB 4.45Å; F192-C315 HydrophobicContact CD2-CB 3.95Å; F192-C315 HydrophobicContact CE1-CB 3.89Å; F192-C315 HydrophobicContact CE2-CB 3.4Å; F192-C315 HydrophobicContact CG-CB 4.5Å; F192-C315 HydrophobicContact CZ-CB 3.37Å
193N97.6Very high98.2Very high44 Ų4420.6 Ų20.624%0.23511%0.113CC..EExtended strand (participates in β ladder)trans-109.688.3-174.3-68.280.5000111.2V195 R245 D246 Y247 V248N193-V195 PolarHBondContact O-N 3.11Å; N193-R245 HydrophobicContact CB-CB 4.43Å; N193-D246 WeakPolarHBondContact CB-O 3.38Å; N193-D246 PolarHBondContact N-O 3.18Å; N193-Y247 HydrophobicContact CB-CD1 3.79Å; N193-Y247 HydrophobicContact CB-CE1 4.1Å; N193-Y247 WeakPolarHBondContact O-CA 3.31Å; N193-V248 PolarHBondContact O-N 3.19Å
194P98Very high98.2Very high33 Ų3315.2 Ų15.221%0.2149%0.085CC..EExtended strand (participates in β ladder)trans-61.4132.5175.922-30.3000111.8F18 V19 F192 V248 L253F18-P194 HydrophobicContact CE1-CB 4.19Å; V19-P194 HydrophobicContact CG2-CB 4.23Å; V19-P194 HydrophobicContact CG2-CG 4.16Å; F192-P194 WeakPolarHBondContact O-CD 3.48Å; P194-V248 CarbonylContact C-O 3.35Å; P194-V248 VanDerWaalsContact CA-O 3.28Å; P194-V248 WeakPolarHBondContact CA-O 3.42Å; P194-L253 HydrophobicContact CB-CD2 3.72Å; P194-L253 HydrophobicContact CG-CD2 4.14Å
195V98.5Very high98.1Very high6 Ų616.2 Ų16.24%0.0369%0.089CC..EExtended strand (participates in β ladder)trans-145.2-177.7177.4-65.30000110.2N193 M215 Y247 V248 H249 V250 M335N193-V195 PolarHBondContact O-N 3.11Å; V195-M215 HydrophobicContact CB-CB 4.09Å; V195-M215 HydrophobicContact CB-CE 3.95Å; V195-M215 HydrophobicContact CB-CG 4.02Å; V195-M215 HydrophobicContact CG1-CB 3.53Å; V195-M215 HydrophobicContact CG1-CE 4.02Å; V195-M215 HydrophobicContact CG1-CG 4.02Å; V195-M215 HydrophobicContact CG2-CE 4.13Å; V195-Y247 HydrophobicContact CG1-CD1 3.65Å; V195-Y247 HydrophobicContact CG1-CE1 4.34Å; V195-Y247 HydrophobicContact CG2-CD1 4.35Å; V195-V248 PolarHBondContact N-O 3.38Å; V195-H249 CarbonylContact O-C 3.08Å; V195-H249 WeakPolarHBondContact O-CA 3.43Å; V195-V250 PolarHBondContact O-N 2.97Å; V195-M335 HydrophobicContact CG2-CB 3.82Å; V195-M335 HydrophobicContact CG2-CG 3.77Å; V195-M335 HydrophobicContact CG2-SD 3.38Å; V195-M335 WeakPolarHBondContact CG2-SD 3.3Å
196G98.4Very high97.9Very high3 Ų316.6 Ų16.63%0.0319%0.091CC..  trans88.6-164.9-175.900000112.2M335 T339G196-M335 WeakPolarHBondContact CA-O 3.49Å; G196-T339 WeakPolarHBondContact CA-OG1 3.35Å; G196-T339 PolarHBondContact N-OG1 3.38Å; G196-T339 PolarHBondContact O-OG1 3.06Å
197A98.7Very high97.1Very high0 Ų017.8 Ų17.80%010%0.099CC..  trans-157.9178.2175.400000108.3I203 H249 D338 W342A197-I203 WeakPolarHBondContact CB-O 3.31Å; A197-H249 PolarHBondContact O-CE1 2.96Å; A197-H249 PolarHBondContact O-NE2 3Å; A197-D338 HydrophobicContact CB-CB 4.4Å; A197-D338 WeakPolarHBondContact CB-O 3.39Å; A197-W342 HydrophobicContact CB-CB 3.55Å; A197-W342 HydrophobicContact CB-CG 4.12Å
198H98.6Very high96.2Very high43 Ų4319.6 Ų19.620%0.19911%0.112CC..  trans-69138.1170.1-174.8-95.2000109.6H22 L25 S200 G201 I203H22-H198 PolarHBondContact NE2-N 2.95Å; H22-H198 VanDerWaalsContact NE2-N 3.12Å; L25-H198 WeakPolarHBondContact CD2-CD2 3.46Å; H198-S200 VanDerWaalsContact ND1-CB 3.33Å; H198-S200 WeakPolarHBondContact ND1-CB 3.32Å; H198-S200 PolarHBondContact ND1-N 3.47Å; H198-S200 PolarHBondContact ND1-OG 2.92Å; H198-S200 PolarHBondContact O-N 3.37Å; H198-G201 PolarHBondContact O-N 3.45Å; H198-I203 HydrophobicContact CB-CD1 4.04Å; H198-I203 HydrophobicContact CB-CG1 3.4Å; H198-I203 VanDerWaalsContact CB-CG1 3.4Å; H198-I203 PolarHBondContact N-O 3.08Å; H198-I203 VanDerWaalsContact N-O 3.08Å
199P98.1Very high95.1Very high53 Ų5325.3 Ų25.334%0.34414%0.142SC..THydrogen-bonded Turntrans-57.7-20.8-176.4-28.635.1000115.3G201 N341P199-G201 PolarHBondContact O-N 3.14Å; P199-N341 PolarHBondContact O-ND2 2.61Å
200S98Very high94Very high32 Ų3230.4 Ų30.422%0.22417%0.174CC..THydrogen-bonded Turntrans-65.1-23.9172.468.40000113.2L60 H198 E202 K345L60-S200 WeakPolarHBondContact CD2-OG 2.96Å; H198-S200 VanDerWaalsContact ND1-CB 3.33Å; H198-S200 WeakPolarHBondContact ND1-CB 3.32Å; H198-S200 PolarHBondContact ND1-N 3.47Å; H198-S200 PolarHBondContact ND1-OG 2.92Å; H198-S200 PolarHBondContact O-N 3.37Å; S200-E202 PolarHBondContact O-N 3.11Å; S200-E202 WeakPolarHBondContact OG-CB 3.44Å; S200-E202 WeakPolarHBondContact OG-CG 3.4Å; S200-E202 PolarHBondContact OG-N 2.86Å; S200-E202 VanDerWaalsContact OG-N 3.13Å; S200-K345 PolarHBondContact O-NZ 2.88Å
201G97.8Very high93Very high1 Ų130.6 Ų30.61%0.0118%0.175CC..SBendtrans70.916-17000000113.5H198 P199 N341H198-G201 PolarHBondContact O-N 3.45Å; P199-G201 PolarHBondContact O-N 3.14Å; G201-N341 PolarHBondContact N-ND2 2.92Å
202E97.5Very high92.3Very high61 Ų6133.4 Ų33.429%0.28519%0.191SC..SBendtrans-91.8-25.2178.5-64.3-68.6139.500113R56 L60 S200 W342R56-E202 WeakPolarHBondContact CD-O 3.37Å; R56-E202 PolarHBondContact NH1-O 2.84Å; L60-E202 HydrophobicContact CD1-CB 4.11Å; L60-E202 HydrophobicContact CD2-CB 4.13Å; L60-E202 HydrophobicContact CD2-CG 4.05Å; L60-E202 HydrophobicContact CG-CB 4.32Å; S200-E202 PolarHBondContact O-N 3.11Å; S200-E202 WeakPolarHBondContact OG-CB 3.44Å; S200-E202 WeakPolarHBondContact OG-CG 3.4Å; S200-E202 PolarHBondContact OG-N 2.86Å; S200-E202 VanDerWaalsContact OG-N 3.13Å; E202-W342 WeakPolarHBondContact O-CZ3 3.35Å
203I98.1Very high92Very high0 Ų036 Ų360%021%0.205CC..SBendtrans-131.1143.1171.863173000109.9L25 R56 V57 L60 A197 H198 W342 Y350L25-I203 HydrophobicContact CD2-CD1 3.92Å; R56-I203 HydrophobicContact CB-CG2 3.64Å; V57-I203 HydrophobicContact CG2-CD1 3.88Å; V57-I203 HydrophobicContact CG2-CG2 4.31Å; L60-I203 HydrophobicContact CD1-CD1 4.34Å; L60-I203 HydrophobicContact CD1-CG1 4.21Å; L60-I203 HydrophobicContact CD1-CG2 4.29Å; A197-I203 WeakPolarHBondContact CB-O 3.31Å; H198-I203 HydrophobicContact CB-CD1 4.04Å; H198-I203 HydrophobicContact CB-CG1 3.4Å; H198-I203 VanDerWaalsContact CB-CG1 3.4Å; H198-I203 PolarHBondContact N-O 3.08Å; H198-I203 VanDerWaalsContact N-O 3.08Å; I203-W342 VanDerWaalsContact C-CE3 3.44Å; I203-Y350 WeakPolarHBondContact CA-OH 3.29Å
204G97.7Very high91.9Very high1 Ų135.3 Ų35.31%0.0120%0.202CC..  trans-165.8-168.2178.300000111.8Y350G204-Y350 PolarHBondContact N-OH 2.65Å; G204-Y350 PolarHBondContact O-OH 3.44Å
205E96.3Very high91.9Very high25 Ų2533.9 Ų33.912%0.11719%0.192CC..  trans-81.2123177.9-166.5164.2-146.300110.6F18 K97 P216 W342F18-E205 HydrophobicContact CB-CB 4.31Å; F18-E205 HydrophobicContact CB-CG 4.02Å; F18-E205 HydrophobicContact CD1-CB 3.92Å; F18-E205 VanDerWaalsContact CD1-CD 3.47Å; F18-E205 HydrophobicContact CD1-CG 3.85Å; F18-E205 HydrophobicContact CD2-CB 3.61Å; F18-E205 HydrophobicContact CD2-CG 4.25Å; F18-E205 HydrophobicContact CE1-CB 4.08Å; F18-E205 HydrophobicContact CE1-CG 4.36Å; F18-E205 HydrophobicContact CE2-CB 3.78Å; F18-E205 HydrophobicContact CG-CB 3.69Å; F18-E205 HydrophobicContact CG-CG 3.79Å; F18-E205 HydrophobicContact CZ-CB 4.01Å; K97-E205 IonicContact NZ-OE1 3.38Å; K97-E205 PolarHBondContact NZ-OE1 3.27Å; E205-P216 HydrophobicContact CB-CG 4.41Å; E205-P216 HydrophobicContact CG-CG 4.07Å; E205-P216 WeakPolarHBondContact OE2-CG 3.49Å; E205-W342 PolarHBondContact O-NE1 3.28Å; E205-W342 VanDerWaalsContact O-NE1 3.16Å
206D93.1Very high91.7Very high19 Ų1934 Ų3410%0.10219%0.193CC..  trans-137.282.6175.1179.130.8000109.3V44 W342 Y350 R351V44-D206 WeakPolarHBondContact CG2-OD2 3.45Å; D206-W342 HydrophobicContact CB-CZ2 4.4Å; D206-Y350 HydrophobicContact CB-CD2 3.46Å; D206-Y350 VanDerWaalsContact CB-CD2 3.46Å; D206-Y350 HydrophobicContact CB-CE2 3.66Å; D206-Y350 HydrophobicContact CB-CG 4.44Å; D206-Y350 WeakPolarHBondContact OD2-CB 3.03Å; D206-Y350 WeakPolarHBondContact OD2-CD2 3.41Å; D206-Y350 PolarHBondContact OD2-N 3.37Å; D206-R351 IonicContact OD1-NH1 3.24Å; D206-R351 PolarHBondContact OD1-NH1 2.67Å; D206-R351 VanDerWaalsContact OD1-NH1 3.11Å; D206-R351 IonicContact OD2-NH1 2.61Å; D206-R351 PolarHBondContact OD2-NH1 2.97Å
207P83.9Confident91.5Very high25 Ų2535.1 Ų35.116%0.16220%0.199CC..  trans-67.2149.8-179.529.3-32.3000110.8P211P207-P211 HydrophobicContact CG-CB 3.72Å; P207-P211 HydrophobicContact CG-CG 3.6Å
208S78.8Confident91.4Very high38 Ų3835.1 Ų35.127%0.26620%0.199SC..SBendtrans-70.6-33.9-178.8-69.60000114.3N42 R351N42-S208 PolarHBondContact OD1-N 3.06Å; S208-R351 VanDerWaalsContact CA-NH2 3.28Å; S208-R351 PolarHBondContact OG-NH2 3Å
209D75.6Confident91.4Very high120 Ų12033.2 Ų33.264%0.64219%0.19SC*.SBendtrans-109.4-175.6179-64.9-54.1000111.6P211D209-P211 WeakPolarHBondContact O-CD 3.41Å; D209-P211 VanDerWaalsContact O-N 3.08Å
210T75.8Confident91.2Very high107 Ų10734.4 Ų34.466%0.65619%0.188SC*.SBendtrans-51.2120.5171.1-61.50000108.9N212T210-N212 PolarHBondContact O-N 2.85Å
211P78.6Confident91.1Very high8 Ų833 Ų335%0.05218%0.178CC..  trans-58.3134.8-173.4-17.922.8000111.5P207 D209 P216 N217P207-P211 HydrophobicContact CG-CB 3.72Å; P207-P211 HydrophobicContact CG-CG 3.6Å; D209-P211 WeakPolarHBondContact O-CD 3.41Å; D209-P211 VanDerWaalsContact O-N 3.08Å; P211-P216 HydrophobicContact CB-CB 3.67Å; P211-P216 HydrophobicContact CB-CG 4.36Å; P211-P216 HydrophobicContact CG-CB 3.85Å; P211-N217 PolarHBondContact O-ND2 2.66Å
212N82.8Confident91.1Very high72 Ų7233 Ų3339%0.38518%0.178SC..  trans-86.2-23.9175.1-75.2-59.6000112.7A98 T210 R306A98-N212 HydrophobicContact CB-CB 4.24Å; A98-N212 WeakPolarHBondContact CB-ND2 3.48Å; T210-N212 PolarHBondContact O-N 2.85Å; N212-R306 PolarHBondContact O-NH1 2.96Å; N212-R306 VanDerWaalsContact O-NH1 3.12Å
213N90.9Very high91Very high64 Ų6431.7 Ų31.734%0.34218%0.178SC..SBendtrans-86.3154.4-176.7-62.497.2000112.1N217N213-N217 PolarHBondContact O-ND2 3.24Å
214L94.8Very high90.8Very high30 Ų3037.7 Ų37.716%0.15720%0.204CC..Hα-helixtrans-64.1-53.9-175.2179.265.5000112.6N217 V218 L229 Y247 V283 V286L214-N217 WeakPolarHBondContact O-CB 3.42Å; L214-N217 PolarHBondContact O-N 3.24Å; L214-V218 HydrophobicContact CD1-CG2 3.75Å; L214-V218 HydrophobicContact CG-CG2 3.81Å; L214-V218 WeakPolarHBondContact O-CG2 3.4Å; L214-V218 PolarHBondContact O-N 3.01Å; L214-L229 HydrophobicContact CD1-CD1 4.25Å; L214-L229 HydrophobicContact CD1-CD2 4.25Å; L214-Y247 HydrophobicContact CD2-CE1 4.38Å; L214-Y247 WeakPolarHBondContact CD2-OH 3.27Å; L214-V283 HydrophobicContact CD1-CG1 3.81Å; L214-V283 HydrophobicContact CD2-CB 4.35Å; L214-V283 HydrophobicContact CD2-CG1 4.08Å; L214-V283 HydrophobicContact CD2-CG2 4.21Å; L214-V286 HydrophobicContact CD2-CB 4.08Å; L214-V286 HydrophobicContact CD2-CG1 4.05Å; L214-V286 HydrophobicContact CD2-CG2 4.28Å
215M96.8Very high90.5Very high4 Ų441.2 Ų41.22%0.0222%0.222CC..Hα-helixtrans-61.1-43.8-167.6-169.566.874.600113.9V195 N217 V218 S219 V286 F290 T339V195-M215 HydrophobicContact CB-CB 4.09Å; V195-M215 HydrophobicContact CB-CE 3.95Å; V195-M215 HydrophobicContact CB-CG 4.02Å; V195-M215 HydrophobicContact CG1-CB 3.53Å; V195-M215 HydrophobicContact CG1-CE 4.02Å; V195-M215 HydrophobicContact CG1-CG 4.02Å; V195-M215 HydrophobicContact CG2-CE 4.13Å; M215-N217 VanDerWaalsContact C-N 3.3Å; M215-N217 PolarHBondContact O-N 2.97Å; M215-V218 WeakPolarHBondContact O-CB 3.5Å; M215-V218 PolarHBondContact O-N 3.26Å; M215-S219 PolarHBondContact O-N 2.9Å; M215-V286 HydrophobicContact CE-CG1 3.69Å; M215-V286 HydrophobicContact SD-CG1 4.25Å; M215-F290 HydrophobicContact SD-CD2 3.7Å; M215-F290 HydrophobicContact SD-CE2 3.84Å; M215-T339 HydrophobicContact CG-CG2 3.93Å; M215-T339 HydrophobicContact SD-CG2 4.45Å
216P94.5Very high90.4Very high8 Ų841.8 Ų41.85%0.05223%0.226CC..Hα-helixtrans-64.3-31173.7-23.834.7000113.9E205 P211 S219 R220E205-P216 HydrophobicContact CB-CG 4.41Å; E205-P216 HydrophobicContact CG-CG 4.07Å; E205-P216 WeakPolarHBondContact OE2-CG 3.49Å; P211-P216 HydrophobicContact CB-CB 3.67Å; P211-P216 HydrophobicContact CB-CG 4.36Å; P211-P216 HydrophobicContact CG-CB 3.85Å; P216-S219 PolarHBondContact O-OG 2.79Å; P216-R220 WeakPolarHBondContact O-CB 3.12Å; P216-R220 WeakPolarHBondContact O-CD 3.39Å; P216-R220 WeakPolarHBondContact O-CG 3.26Å; P216-R220 PolarHBondContact O-N 3.36Å; P216-R220 VanDerWaalsContact O-N 3.08Å
217N95.4Very high90.5Very high27 Ų2745.4 Ų45.414%0.14425%0.25CC..Hα-helixtrans-71.2-39.4173.9-77.6-72.3000111.5P211 N213 L214 M215 R220 A221 L229P211-N217 PolarHBondContact O-ND2 2.66Å; N213-N217 PolarHBondContact O-ND2 3.24Å; L214-N217 WeakPolarHBondContact O-CB 3.42Å; L214-N217 PolarHBondContact O-N 3.24Å; M215-N217 VanDerWaalsContact C-N 3.3Å; M215-N217 PolarHBondContact O-N 2.97Å; N217-R220 PolarHBondContact O-N 3.01Å; N217-A221 WeakPolarHBondContact O-CB 3.4Å; N217-A221 PolarHBondContact O-N 3.38Å; N217-L229 HydrophobicContact CB-CD1 3.52Å
218V97.3Very high91.1Very high0 Ų046.5 Ų46.50%025%0.252CS..Hα-helixtrans-59.8-48.6174.7175.10000110.1L214 M215 R220 A221 A222 L229 V287 F290 I298L214-V218 HydrophobicContact CD1-CG2 3.75Å; L214-V218 HydrophobicContact CG-CG2 3.81Å; L214-V218 WeakPolarHBondContact O-CG2 3.4Å; L214-V218 PolarHBondContact O-N 3.01Å; M215-V218 WeakPolarHBondContact O-CB 3.5Å; M215-V218 PolarHBondContact O-N 3.26Å; V218-R220 PolarHBondContact O-N 3.26Å; V218-A221 PolarHBondContact O-N 2.8Å; V218-A222 WeakPolarHBondContact O-CB 3.32Å; V218-A222 PolarHBondContact O-N 2.81Å; V218-L229 HydrophobicContact CG2-CD1 4.23Å; V218-L229 HydrophobicContact CG2-CD2 3.65Å; V218-V287 HydrophobicContact CG2-CG2 4.31Å; V218-F290 HydrophobicContact CG1-CB 3.47Å; V218-F290 VanDerWaalsContact CG1-CB 3.47Å; V218-F290 HydrophobicContact CG1-CD1 3.79Å; V218-F290 HydrophobicContact CG1-CD2 3.67Å; V218-F290 HydrophobicContact CG1-CE1 4.47Å; V218-F290 HydrophobicContact CG1-CE2 4.36Å; V218-F290 HydrophobicContact CG1-CG 3.34Å; V218-I298 HydrophobicContact CG1-CD1 3.69Å
219S96.6Very high92Very high3 Ų344.9 Ų44.92%0.02124%0.241CC..Hα-helixtrans-63.3-41.7179.871.60000112.6M215 P216 A222 A223 Q343M215-S219 PolarHBondContact O-N 2.9Å; P216-S219 PolarHBondContact O-OG 2.79Å; S219-A222 PolarHBondContact O-N 2.8Å; S219-A223 WeakPolarHBondContact O-CB 3.39Å; S219-A223 PolarHBondContact O-N 3.39Å; S219-Q343 PolarHBondContact OG-OE1 2.92Å
220R95.1Very high93Very high77 Ų7745 Ų4529%0.29123%0.232SC..Hα-helixtrans-67.1-38.2177.1-72.1172.869.890.35112.7P216 N217 V218 A223 K224 L225 I226P216-R220 WeakPolarHBondContact O-CB 3.12Å; P216-R220 WeakPolarHBondContact O-CD 3.39Å; P216-R220 WeakPolarHBondContact O-CG 3.26Å; P216-R220 PolarHBondContact O-N 3.36Å; P216-R220 VanDerWaalsContact O-N 3.08Å; N217-R220 PolarHBondContact O-N 3.01Å; V218-R220 PolarHBondContact O-N 3.26Å; R220-A223 CarbonylContact O-C 3.5Å; R220-A223 PolarHBondContact O-N 3.1Å; R220-K224 PolarHBondContact O-N 3.36Å; R220-K224 VanDerWaalsContact O-N 3.13Å; R220-L225 HydrophobicContact CB-CB 4.2Å; R220-L225 HydrophobicContact CG-CD1 4.2Å; R220-L225 PolarHBondContact O-N 3.06Å; R220-I226 HydrophobicContact CB-CD1 4.31Å; R220-I226 HydrophobicContact CB-CG1 4.22Å
221A95.8Very high94Very high2 Ų240 Ų402%0.01720%0.201CC..Hα-helixtrans-68.7-39.1175.700000111.6N217 V218 K224 I226 L229 I298N217-A221 WeakPolarHBondContact O-CB 3.4Å; N217-A221 PolarHBondContact O-N 3.38Å; V218-A221 PolarHBondContact O-N 2.8Å; A221-K224 PolarHBondContact O-N 3.21Å; A221-K224 VanDerWaalsContact O-N 3.16Å; A221-I226 HydrophobicContact CB-CD1 4.06Å; A221-I226 HydrophobicContact CB-CG1 3.8Å; A221-L229 HydrophobicContact CB-CB 4.19Å; A221-I298 HydrophobicContact CB-CG2 3.78Å
222A96.9Very high94.8Very high2 Ų242.7 Ų42.72%0.01721%0.212CC..Hα-helixtrans-62.3-42.3171.700000111.6V218 S219 K224 F290 T296 I298 W340V218-A222 WeakPolarHBondContact O-CB 3.32Å; V218-A222 PolarHBondContact O-N 2.81Å; S219-A222 PolarHBondContact O-N 2.8Å; A222-K224 PolarHBondContact O-N 2.97Å; A222-F290 HydrophobicContact CB-CD1 3.87Å; A222-F290 HydrophobicContact CB-CE1 3.61Å; A222-T296 WeakPolarHBondContact O-CG2 3.27Å; A222-I298 HydrophobicContact CB-CD1 4.07Å; A222-I298 HydrophobicContact CB-CG1 4.15Å; A222-W340 HydrophobicContact CB-CE3 4.42Å; A222-W340 HydrophobicContact CB-CH2 4.31Å; A222-W340 HydrophobicContact CB-CZ3 3.84Å
223A95.4Very high95.4Very high34 Ų3439.3 Ų39.328%0.28119%0.194SC..THydrogen-bonded Turntrans-74.83.3175.100000114.5S219 R220 L225 W340 Q343S219-A223 WeakPolarHBondContact O-CB 3.39Å; S219-A223 PolarHBondContact O-N 3.39Å; R220-A223 CarbonylContact O-C 3.5Å; R220-A223 PolarHBondContact O-N 3.1Å; A223-L225 HydrophobicContact CB-CD1 4.08Å; A223-L225 HydrophobicContact CB-CG 3.98Å; A223-L225 PolarHBondContact O-N 3.46Å; A223-L225 VanDerWaalsContact O-N 3.17Å; A223-W340 HydrophobicContact CB-CH2 4.24Å; A223-W340 HydrophobicContact CB-CZ3 3.98Å; A223-Q343 HydrophobicContact CB-CG 4.02Å
224K94.5Very high95.7Very high126 Ų12638.9 Ų38.955%0.54820%0.2SC..THydrogen-bonded Turntrans57.424.9-177.8-52.4-61.1174.5-169.40114.6R220 A221 A222 I226 K297R220-K224 PolarHBondContact O-N 3.36Å; R220-K224 VanDerWaalsContact O-N 3.13Å; A221-K224 PolarHBondContact O-N 3.21Å; A221-K224 VanDerWaalsContact O-N 3.16Å; A222-K224 PolarHBondContact O-N 2.97Å; K224-I226 VanDerWaalsContact C-N 3.32Å; K224-K297 PolarHBondContact NZ-O 2.8Å
225L92.3Very high95.8Very high75 Ų7542.2 Ų42.239%0.39322%0.218SC..SBendtrans-79.8-18.7173.3-60.7174.5000112.3R220 A223 P347R220-L225 HydrophobicContact CB-CB 4.2Å; R220-L225 HydrophobicContact CG-CD1 4.2Å; R220-L225 PolarHBondContact O-N 3.06Å; A223-L225 HydrophobicContact CB-CD1 4.08Å; A223-L225 HydrophobicContact CB-CG 3.98Å; A223-L225 PolarHBondContact O-N 3.46Å; A223-L225 VanDerWaalsContact O-N 3.17Å; L225-P347 VanDerWaalsContact CD1-O 3.24Å; L225-P347 WeakPolarHBondContact CD1-O 3.17Å
226I93.6Very high95.8Very high37 Ų3742.7 Ų42.719%0.1922%0.219CC..SBendtrans-132.3148.2167.661.6177.7000108.1R220 A221 K224 F228R220-I226 HydrophobicContact CB-CD1 4.31Å; R220-I226 HydrophobicContact CB-CG1 4.22Å; A221-I226 HydrophobicContact CB-CD1 4.06Å; A221-I226 HydrophobicContact CB-CG1 3.8Å; K224-I226 VanDerWaalsContact C-N 3.32Å; I226-F228 WeakPolarHBondContact CD1-O 3.49Å; I226-F228 PolarHBondContact O-N 3.03Å
227P95.2Very high95.8Very high94 Ų9449.9 Ų49.961%0.6126%0.257SS*.SBendtrans-68.7-36.1-173.125.2-34000112.7
228F96.8Very high95.9Very high49 Ų4950 Ų5022%0.21526%0.259CS..  trans-147.9158.5-177.654.2-100.1000111.3I226 R230 E299 K301I226-F228 WeakPolarHBondContact CD1-O 3.49Å; I226-F228 PolarHBondContact O-N 3.03Å; F228-R230 HydrophobicContact CD2-CG 4.07Å; F228-R230 HydrophobicContact CE2-CG 3.73Å; F228-E299 CarbonylContact C-O 3.53Å; F228-E299 VanDerWaalsContact CA-O 3.28Å; F228-E299 WeakPolarHBondContact CA-O 3.38Å; F228-E299 HydrophobicContact CB-CB 4.02Å; F228-E299 HydrophobicContact CB-CG 4.04Å; F228-E299 WeakPolarHBondContact CB-O 3.47Å; F228-K301 HydrophobicContact CD2-CB 3.53Å; F228-K301 HydrophobicContact CD2-CD 4.08Å; F228-K301 HydrophobicContact CD2-CG 4.44Å; F228-K301 HydrophobicContact CE1-CD 4.42Å; F228-K301 HydrophobicContact CE2-CB 3.92Å; F228-K301 HydrophobicContact CE2-CD 3.58Å; F228-K301 HydrophobicContact CE2-CG 4.38Å; F228-K301 HydrophobicContact CG-CB 4.06Å; F228-K301 HydrophobicContact CZ-CD 3.78Å
229L97.3Very high95.8Very high4 Ų456.3 Ų56.32%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-90.8128.8167.6176.268.3000109.7L214 N217 V218 A221 V287 I298 E299 L300 K301L214-L229 HydrophobicContact CD1-CD1 4.25Å; L214-L229 HydrophobicContact CD1-CD2 4.25Å; N217-L229 HydrophobicContact CB-CD1 3.52Å; V218-L229 HydrophobicContact CG2-CD1 4.23Å; V218-L229 HydrophobicContact CG2-CD2 3.65Å; A221-L229 HydrophobicContact CB-CB 4.19Å; L229-V287 HydrophobicContact CD2-CG2 3.39Å; L229-I298 HydrophobicContact CB-CG2 3.8Å; L229-I298 HydrophobicContact CD2-CG2 4.4Å; L229-E299 PolarHBondContact N-O 3.47Å; L229-L300 HydrophobicContact CB-CD2 3.96Å; L229-L300 HydrophobicContact CD2-CD2 3.86Å; L229-L300 HydrophobicContact CG-CD2 4.3Å; L229-L300 WeakPolarHBondContact O-CA 3.39Å; L229-K301 PolarHBondContact O-N 3.29Å
230R96.6Very high95.9Very high122 Ų12258.7 Ų58.746%0.4630%0.304SS..EExtended strand (participates in β ladder)trans-80.5127.9170.9-65.6-176.8-174.799.3-1.6110.6F228 F232 K301 E303F228-R230 HydrophobicContact CD2-CG 4.07Å; F228-R230 HydrophobicContact CE2-CG 3.73Å; R230-F232 HydrophobicContact CB-CE1 4.26Å; R230-F232 HydrophobicContact CB-CE2 4.06Å; R230-F232 HydrophobicContact CB-CZ 3.81Å; R230-K301 CarbonylContact C-O 3.52Å; R230-K301 VanDerWaalsContact CA-O 3.32Å; R230-K301 WeakPolarHBondContact CA-O 3.39Å; R230-E303 HydrophobicContact CB-CG 4.15Å; R230-E303 HydrophobicContact CG-CG 4.17Å; R230-E303 IonicContact NE-OE1 3.8Å
231V97.1Very high96Very high1 Ų155.5 Ų55.51%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-108.8112.9174.3-179.10000108.2G233 T242 V283 L300 K301 F302 E303V231-G233 PolarHBondContact O-N 3.13Å; V231-T242 HydrophobicContact CG1-CG2 3.79Å; V231-V283 HydrophobicContact CG1-CG1 4.07Å; V231-V283 HydrophobicContact CG2-CG1 4.14Å; V231-L300 HydrophobicContact CG2-CB 4.47Å; V231-L300 HydrophobicContact CG2-CD2 4.13Å; V231-K301 PolarHBondContact N-O 2.51Å; V231-F302 HydrophobicContact CB-CD1 3.8Å; V231-F302 HydrophobicContact CB-CE1 4.03Å; V231-F302 HydrophobicContact CG1-CD1 3.81Å; V231-F302 HydrophobicContact CG1-CE1 3.8Å; V231-F302 HydrophobicContact CG2-CE1 4.43Å; V231-F302 WeakPolarHBondContact O-CA 3.44Å; V231-E303 PolarHBondContact O-N 2.92Å
232F95.6Very high96.1Very high66 Ų6655.5 Ų55.529%0.28930%0.295SS..EExtended strand (participates in β ladder)trans-91.8104.6-173.4-59.5-79.2000111.2R230 E303 R306R230-F232 HydrophobicContact CB-CE1 4.26Å; R230-F232 HydrophobicContact CB-CE2 4.06Å; R230-F232 HydrophobicContact CB-CZ 3.81Å; F232-E303 HydrophobicContact CD1-CB 4Å; F232-E303 HydrophobicContact CE1-CB 4.34Å; F232-E303 HydrophobicContact CE1-CG 4.46Å; F232-R306 HydrophobicContact CB-CB 4.04Å; F232-R306 HydrophobicContact CD1-CB 4.4Å; F232-R306 VanDerWaalsContact CE2-NH2 3.35Å; F232-R306 HydrophobicContact CG-CB 4.22Å
233G95.7Very high96.2Very high1 Ų155.7 Ų55.71%0.0130%0.297CS..  trans82.6133.3-175.100000113.2V231 E303 E304V231-G233 PolarHBondContact O-N 3.13Å; G233-E303 PolarHBondContact N-O 3.25Å; G233-E304 PolarHBondContact N-O 3.45Å
234A96.3Very high96.3Very high55 Ų5554.7 Ų54.746%0.45529%0.288SS..SBendtrans-135.519.4178.400000111.8G241 F302A234-G241 CarbonylContact C-O 3.53Å; A234-G241 VanDerWaalsContact CA-O 3.25Å; A234-G241 WeakPolarHBondContact CA-O 3.49Å; A234-F302 HydrophobicContact CB-CD1 3.77Å; A234-F302 HydrophobicContact CB-CE1 4.12Å
235D97.4Very high96.5Very high99 Ų9950.3 Ų50.353%0.52927%0.268SS..  trans-134.314.2-171.167.4-37.8000111.9G241 R305D235-G241 PolarHBondContact N-O 3.28Å; D235-R305 VanDerWaalsContact C-NH2 3.33Å; D235-R305 VanDerWaalsContact CG-NE 3.31Å; D235-R305 PolarHBondContact O-NH2 2.9Å; D235-R305 IonicContact OD1-CZ 3.53Å; D235-R305 IonicContact OD1-NE 3.36Å; D235-R305 PolarHBondContact OD1-NE 2.92Å; D235-R305 IonicContact OD1-NH2 3.31Å; D235-R305 PolarHBondContact OD1-NH2 2.93Å; D235-R305 IonicContact OD2-CZ 2.64Å; D235-R305 IonicContact OD2-NE 2.83Å; D235-R305 PolarHBondContact OD2-NE 3.22Å; D235-R305 VanDerWaalsContact OD2-NE 3.15Å; D235-R305 IonicContact OD2-NH2 3.41Å; D235-R305 PolarHBondContact OD2-NH2 3.42Å
236Y96.1Very high96.7Very high14 Ų1446.8 Ų46.86%0.05525%0.249CC..SBendtrans-67.1152.8170.8-66.2-76.6000110.7T238 G241 R305 P311Y236-T238 PolarHBondContact O-N 3.25Å; Y236-G241 WeakPolarHBondContact CB-O 3.29Å; Y236-G241 WeakPolarHBondContact CD2-O 3.13Å; Y236-G241 PolarHBondContact N-O 3.1Å; Y236-G241 WeakPolarHBondContact O-CA 3.46Å; Y236-R305 HydrophobicContact CE1-CG 4.16Å; Y236-R305 HydrophobicContact CE2-CG 4.09Å; Y236-R305 WeakPolarHBondContact OH-CB 3.2Å; Y236-P311 HydrophobicContact CD1-CB 4.01Å; Y236-P311 HydrophobicContact CD1-CG 3.93Å; Y236-P311 HydrophobicContact CG-CB 4.46Å
237D95.3Very high97Very high160 Ų16045.4 Ų45.486%0.85624%0.241SC*.SBendtrans-75.974.3171.8-171.421.7000110.2
238T97Very high97.1Very high28 Ų2840.9 Ų40.917%0.17221%0.212CC..SBendtrans-141.9171.9-177.867.10000110.3Y236 D240 G241 T242 V244 P311Y236-T238 PolarHBondContact O-N 3.25Å; T238-D240 PolarHBondContact O-N 2.91Å; T238-G241 PolarHBondContact O-N 2.73Å; T238-G241 WeakPolarHBondContact OG1-CA 3.35Å; T238-G241 PolarHBondContact OG1-N 3.16Å; T238-T242 WeakPolarHBondContact CB-O 3.34Å; T238-T242 WeakPolarHBondContact CG2-O 3.21Å; T238-T242 PolarHBondContact OG1-N 3.33Å; T238-T242 PolarHBondContact OG1-O 2.93Å; T238-V244 HydrophobicContact CG2-CG2 3.89Å; T238-P311 HydrophobicContact CG2-CB 4.12Å
239I96.3Very high97.2Very high134 Ų13438.6 Ų38.669%0.68720%0.202SC*.THydrogen-bonded Turntrans-55.5-25.8-173.1-165.3165000115.2
240D98Very high97.3Very high53 Ų5338.4 Ų38.428%0.28320%0.201SC..THydrogen-bonded Turntrans-140.417.1-179.764.119.2000113.8T238 T242 S282 L284T238-D240 PolarHBondContact O-N 2.91Å; D240-T242 PolarHBondContact O-N 3.38Å; D240-T242 WeakPolarHBondContact OD1-CB 3.37Å; D240-T242 PolarHBondContact OD1-N 3.19Å; D240-T242 PolarHBondContact OD1-OG1 2.76Å; D240-S282 WeakPolarHBondContact OD1-CB 3.44Å; D240-S282 WeakPolarHBondContact OD2-CB 3.44Å; D240-S282 PolarHBondContact OD2-OG 3.49Å; D240-L284 HydrophobicContact CB-CD1 4.23Å; D240-L284 WeakPolarHBondContact OD2-CB 3.31Å
241G97.9Very high97.4Very high10 Ų1032.8 Ų32.810%0.10318%0.181CC..SBendtrans79.8-10.3-178.800000115.1A234 D235 Y236 T238A234-G241 CarbonylContact C-O 3.53Å; A234-G241 VanDerWaalsContact CA-O 3.25Å; A234-G241 WeakPolarHBondContact CA-O 3.49Å; D235-G241 PolarHBondContact N-O 3.28Å; Y236-G241 WeakPolarHBondContact CB-O 3.29Å; Y236-G241 WeakPolarHBondContact CD2-O 3.13Å; Y236-G241 PolarHBondContact N-O 3.1Å; Y236-G241 WeakPolarHBondContact O-CA 3.46Å; T238-G241 PolarHBondContact O-N 2.73Å; T238-G241 WeakPolarHBondContact OG1-CA 3.35Å; T238-G241 PolarHBondContact OG1-N 3.16Å
242T98.2Very high97.5Very high1 Ų132.8 Ų32.81%0.00618%0.181CC..SBendtrans-99.4158.9179.972.70000112.6V231 T238 D240 S282 V283 L284V231-T242 HydrophobicContact CG1-CG2 3.79Å; T238-T242 WeakPolarHBondContact CB-O 3.34Å; T238-T242 WeakPolarHBondContact CG2-O 3.21Å; T238-T242 PolarHBondContact OG1-N 3.33Å; T238-T242 PolarHBondContact OG1-O 2.93Å; D240-T242 PolarHBondContact O-N 3.38Å; D240-T242 WeakPolarHBondContact OD1-CB 3.37Å; D240-T242 PolarHBondContact OD1-N 3.19Å; D240-T242 PolarHBondContact OD1-OG1 2.76Å; T242-S282 WeakPolarHBondContact OG1-CB 3.28Å; T242-V283 PolarHBondContact OG1-N 3.33Å; T242-L284 HydrophobicContact CG2-CD1 3.91Å; T242-L284 HydrophobicContact CG2-CD2 4.24Å; T242-L284 HydrophobicContact CG2-CG 3.7Å
243G97.1Very high97.6Very high7 Ų729.7 Ų29.77%0.07217%0.167CC..  trans-60.7137.3-177.700000113.1S282 V283 P311G243-S282 CarbonylContact O-C 3.56Å; G243-S282 WeakPolarHBondContact O-CA 3.29Å; G243-V283 PolarHBondContact O-N 3.22Å; G243-V283 VanDerWaalsContact O-N 3.13Å; G243-P311 CarbonylContact C-O 3.55Å; G243-P311 WeakPolarHBondContact CA-O 3.34Å
244V97.9Very high97.8Very high13 Ų1329.6 Ų29.68%0.07917%0.166CC..EExtended strand (participates in β ladder)trans-106.4130.3179.8176.30000110.3T238 F281 P311 S312 V313T238-V244 HydrophobicContact CG2-CG2 3.89Å; V244-F281 CarbonylContact C-O 3.53Å; V244-F281 VanDerWaalsContact CA-O 3.31Å; V244-F281 WeakPolarHBondContact CA-O 3.32Å; V244-P311 PolarHBondContact N-O 3.15Å; V244-S312 WeakPolarHBondContact O-CA 3.36Å; V244-V313 PolarHBondContact O-N 2.85Å
245R98.1Very high97.9Very high34 Ų3430.8 Ų30.813%0.12816%0.159CC..EExtended strand (participates in β ladder)trans-136.4151.5-178.8-60.8-65.1179.2-87.3-0.4111.6N193 Y247 G280 F281 D309 L310 P311 V313N193-R245 HydrophobicContact CB-CB 4.43Å; R245-Y247 HydrophobicContact CB-CD2 4.42Å; R245-Y247 HydrophobicContact CB-CE1 4.29Å; R245-Y247 HydrophobicContact CB-CE2 3.85Å; R245-Y247 WeakPolarHBondContact O-CD2 3.49Å; R245-Y247 PolarHBondContact O-N 3.29Å; R245-G280 WeakPolarHBondContact O-CA 3.22Å; R245-F281 PolarHBondContact N-O 2.93Å; R245-F281 PolarHBondContact O-N 3.23Å; R245-D309 IonicContact NH2-OD1 2.97Å; R245-L310 VanDerWaalsContact CZ-O 3.22Å; R245-L310 PolarHBondContact NH1-O 3.46Å; R245-L310 PolarHBondContact NH2-O 2.92Å; R245-P311 PolarHBondContact NH1-O 3.19Å; R245-V313 CarbonylContact C-O 3.51Å; R245-V313 WeakPolarHBondContact CA-O 3.24Å
246D98.4Very high97.9Very high0 Ų026.1 Ų26.10%013%0.134CC..EExtended strand (participates in β ladder)trans-83.7103167.5-172-18.5000110.5F192 N193 T277 G278 N279 V313 C315F192-D246 HydrophobicContact CB-CB 3.93Å; F192-D246 WeakPolarHBondContact CB-O 3.46Å; F192-D246 HydrophobicContact CD1-CB 3.77Å; F192-D246 HydrophobicContact CG-CB 4.06Å; N193-D246 WeakPolarHBondContact CB-O 3.38Å; N193-D246 PolarHBondContact N-O 3.18Å; D246-T277 VanDerWaalsContact CG-N 3.34Å; D246-T277 WeakPolarHBondContact OD1-CB 3.38Å; D246-T277 PolarHBondContact OD1-N 2.91Å; D246-T277 PolarHBondContact OD1-OG1 2.59Å; D246-T277 PolarHBondContact OD2-N 3.34Å; D246-T277 VanDerWaalsContact OD2-N 3.12Å; D246-G278 WeakPolarHBondContact OD2-CA 3.45Å; D246-G278 PolarHBondContact OD2-N 3.05Å; D246-N279 WeakPolarHBondContact CA-O 3.38Å; D246-V313 PolarHBondContact N-O 3.49Å; D246-C315 PolarHBondContact OD2-N 3.36Å; D246-C315 PolarHBondContact OD2-SG 3.42Å
247Y98.6Very high98Very high8 Ų825.4 Ų25.43%0.03113%0.131CC..EExtended strand (participates in β ladder)trans-86.3125.1176.2-62.6-78.6000109.5N193 V195 L214 R245 T277 F281 V286 M335N193-Y247 HydrophobicContact CB-CD1 3.79Å; N193-Y247 HydrophobicContact CB-CE1 4.1Å; N193-Y247 WeakPolarHBondContact O-CA 3.31Å; V195-Y247 HydrophobicContact CG1-CD1 3.65Å; V195-Y247 HydrophobicContact CG1-CE1 4.34Å; V195-Y247 HydrophobicContact CG2-CD1 4.35Å; L214-Y247 HydrophobicContact CD2-CE1 4.38Å; L214-Y247 WeakPolarHBondContact CD2-OH 3.27Å; R245-Y247 HydrophobicContact CB-CD2 4.42Å; R245-Y247 HydrophobicContact CB-CE1 4.29Å; R245-Y247 HydrophobicContact CB-CE2 3.85Å; R245-Y247 WeakPolarHBondContact O-CD2 3.49Å; R245-Y247 PolarHBondContact O-N 3.29Å; Y247-T277 WeakPolarHBondContact O-CG2 3.25Å; Y247-F281 HydrophobicContact CD2-CB 3.96Å; Y247-F281 HydrophobicContact CD2-CD2 4.31Å; Y247-F281 HydrophobicContact CE2-CB 4.05Å; Y247-F281 WeakPolarHBondContact CE2-O 3.37Å; Y247-V286 HydrophobicContact CD2-CG2 3.8Å; Y247-V286 HydrophobicContact CE1-CG2 4.47Å; Y247-V286 HydrophobicContact CE2-CG2 3.32Å; Y247-M335 VanDerWaalsContact O-CE 3.23Å; Y247-M335 WeakPolarHBondContact O-CE 3.43Å
248V98.6Very high98.1Very high0 Ų018 Ų180%09%0.092CC..EExtended strand (participates in β ladder)trans-118.6138.2178.761.60000110N193 P194 V195 V250 D252 L253 T277 A328N193-V248 PolarHBondContact O-N 3.19Å; P194-V248 CarbonylContact C-O 3.35Å; P194-V248 VanDerWaalsContact CA-O 3.28Å; P194-V248 WeakPolarHBondContact CA-O 3.42Å; V195-V248 PolarHBondContact N-O 3.38Å; V248-V250 PolarHBondContact O-N 2.79Å; V248-D252 HydrophobicContact CG2-CB 4.38Å; V248-L253 HydrophobicContact CG1-CD1 4.44Å; V248-T277 HydrophobicContact CB-CG2 4.24Å; V248-T277 HydrophobicContact CG2-CG2 4.37Å; V248-A328 HydrophobicContact CG2-CB 4.2Å
249H98.8Very high98.2Very high0 Ų017 Ų170%09%0.087CC..EExtended strand (participates in β ladder)trans-68.4133.7179.1-165.5-82.9000110.3V195 A197 V251 D252 L253 Y330 M335 D338V195-H249 CarbonylContact O-C 3.08Å; V195-H249 WeakPolarHBondContact O-CA 3.43Å; A197-H249 PolarHBondContact O-CE1 2.96Å; A197-H249 PolarHBondContact O-NE2 3Å; H249-V251 WeakPolarHBondContact ND1-CB 3.12Å; H249-V251 PolarHBondContact ND1-N 3.12Å; H249-V251 VanDerWaalsContact ND1-N 3.18Å; H249-V251 PolarHBondContact O-N 3.07Å; H249-D252 HydrophobicContact CB-CB 4.35Å; H249-D252 WeakPolarHBondContact O-CB 3.5Å; H249-D252 PolarHBondContact O-N 2.77Å; H249-L253 PolarHBondContact O-N 3.08Å; H249-Y330 HydrophobicContact CB-CD2 3.85Å; H249-Y330 HydrophobicContact CB-CG 4.19Å; H249-Y330 AromaticContact CG-CD2 3.61Å; H249-Y330 AromaticContact CG-CG 3.99Å; H249-Y330 AromaticContact ND1-CD2 3.59Å; H249-M335 HydrophobicContact CB-CE 4.23Å; H249-M335 HydrophobicContact CB-CG 3.89Å; H249-D338 IonicContact CE1-OD2 2.59Å; H249-D338 IonicContact NE2-OD2 3.44Å; H249-D338 PolarHBondContact NE2-OD2 3.46Å
250V98.7Very high98.2Very high0 Ų010.7 Ų10.70%05%0.054CC..Hα-helixtrans-60.9-31.8-175.264.70000112.8F18 V19 H22 V195 V248 L253 A254F18-V250 HydrophobicContact CD2-CG2 4.2Å; F18-V250 HydrophobicContact CE1-CB 4.21Å; F18-V250 HydrophobicContact CE1-CG2 4.14Å; F18-V250 HydrophobicContact CE2-CB 3.9Å; F18-V250 HydrophobicContact CE2-CG1 3.75Å; F18-V250 HydrophobicContact CE2-CG2 3.75Å; F18-V250 HydrophobicContact CZ-CB 3.55Å; F18-V250 HydrophobicContact CZ-CG1 3.75Å; F18-V250 HydrophobicContact CZ-CG2 3.71Å; V19-V250 HydrophobicContact CG2-CG2 4.36Å; H22-V250 HydrophobicContact CB-CG2 4.01Å; H22-V250 WeakPolarHBondContact NE2-CG1 3.5Å; V195-V250 PolarHBondContact O-N 2.97Å; V248-V250 PolarHBondContact O-N 2.79Å; V250-L253 WeakPolarHBondContact O-CB 3.36Å; V250-L253 PolarHBondContact O-N 3.12Å; V250-A254 WeakPolarHBondContact O-CB 3.46Å; V250-A254 PolarHBondContact O-N 3.29Å
251V98.8Very high98.2Very high5 Ų58.1 Ų8.13%0.034%0.04CC..Hα-helixtrans-68-42173.2176.70000111.5H249 L253 A254 R255 Y330H249-V251 WeakPolarHBondContact ND1-CB 3.12Å; H249-V251 PolarHBondContact ND1-N 3.12Å; H249-V251 VanDerWaalsContact ND1-N 3.18Å; H249-V251 PolarHBondContact O-N 3.07Å; V251-L253 VanDerWaalsContact C-N 3.3Å; V251-L253 PolarHBondContact O-N 2.9Å; V251-A254 PolarHBondContact O-N 3.28Å; V251-R255 VanDerWaalsContact O-CG 3.32Å; V251-R255 WeakPolarHBondContact O-CG 3.08Å; V251-R255 PolarHBondContact O-N 2.98Å; V251-Y330 HydrophobicContact CB-CE2 4.13Å; V251-Y330 HydrophobicContact CG1-CE2 4.08Å
252D98.8Very high98Very high1 Ų112.7 Ų12.71%0.0055%0.054CC..Hα-helixtrans-62.6-43.8173.9-74.3-31.3000110.2V248 H249 A254 R255 G256 W326 A328 Q329 Y330V248-D252 HydrophobicContact CG2-CB 4.38Å; H249-D252 HydrophobicContact CB-CB 4.35Å; H249-D252 WeakPolarHBondContact O-CB 3.5Å; H249-D252 PolarHBondContact O-N 2.77Å; D252-A254 VanDerWaalsContact C-N 3.31Å; D252-A254 PolarHBondContact O-N 3.23Å; D252-R255 WeakPolarHBondContact O-CB 3.49Å; D252-R255 PolarHBondContact O-N 3.36Å; D252-G256 PolarHBondContact O-N 2.86Å; D252-W326 HydrophobicContact CB-CZ2 4.24Å; D252-W326 PolarHBondContact O-NE1 2.96Å; D252-A328 HydrophobicContact CB-CB 4.2Å; D252-Q329 VanDerWaalsContact CG-N 3.28Å; D252-Q329 PolarHBondContact OD1-N 2.75Å; D252-Q329 PolarHBondContact OD2-N 2.94Å; D252-Y330 WeakPolarHBondContact OD1-CD2 3.32Å; D252-Y330 WeakPolarHBondContact OD2-CD2 3.31Å; D252-Y330 PolarHBondContact OD2-N 3.08Å
253L98.7Very high97.9Very high0 Ų014.9 Ų14.90%06%0.064CC..Hα-helixtrans-58.2-44.6176.3-170.363.8000111.7V19 Y191 P194 V248 H249 V250 V251 R255 G256 H257 L275V19-L253 HydrophobicContact CG1-CD2 3.84Å; V19-L253 HydrophobicContact CG1-CG 4.33Å; V19-L253 HydrophobicContact CG2-CD2 4.05Å; Y191-L253 HydrophobicContact CD1-CD1 3.48Å; Y191-L253 VanDerWaalsContact CD1-CD1 3.48Å; Y191-L253 HydrophobicContact CD1-CD2 4.41Å; Y191-L253 HydrophobicContact CD1-CG 4.34Å; Y191-L253 HydrophobicContact CD2-CD1 4.38Å; Y191-L253 HydrophobicContact CD2-CD2 3.84Å; Y191-L253 HydrophobicContact CD2-CG 4.49Å; Y191-L253 HydrophobicContact CE1-CD1 3.99Å; Y191-L253 HydrophobicContact CE2-CD2 4.47Å; Y191-L253 HydrophobicContact CG-CD1 3.74Å; Y191-L253 HydrophobicContact CG-CD2 3.89Å; Y191-L253 HydrophobicContact CG-CG 4.31Å; P194-L253 HydrophobicContact CB-CD2 3.72Å; P194-L253 HydrophobicContact CG-CD2 4.14Å; V248-L253 HydrophobicContact CG1-CD1 4.44Å; H249-L253 PolarHBondContact O-N 3.08Å; V250-L253 WeakPolarHBondContact O-CB 3.36Å; V250-L253 PolarHBondContact O-N 3.12Å; V251-L253 VanDerWaalsContact C-N 3.3Å; V251-L253 PolarHBondContact O-N 2.9Å; L253-R255 PolarHBondContact O-N 3.44Å; L253-G256 PolarHBondContact O-N 2.98Å; L253-G256 VanDerWaalsContact O-N 3.1Å; L253-H257 PolarHBondContact O-N 2.9Å; L253-H257 PolarHBondContact O-ND1 2.8Å; L253-L275 HydrophobicContact CD1-CB 3.55Å; L253-L275 HydrophobicContact CD1-CD1 3.72Å; L253-L275 HydrophobicContact CD1-CG 4.3Å
254A98.7Very high97.9Very high0 Ų014.5 Ų14.50%06%0.06CC..Hα-helixtrans-62.8-40.4177.700000112.4H22 V23 E26 V250 V251 D252 G256 H257 T258H22-A254 HydrophobicContact CB-CB 3.94Å; V23-A254 HydrophobicContact CB-CB 4.49Å; V23-A254 HydrophobicContact CG2-CB 3.68Å; E26-A254 HydrophobicContact CG-CB 3.82Å; V250-A254 WeakPolarHBondContact O-CB 3.46Å; V250-A254 PolarHBondContact O-N 3.29Å; V251-A254 PolarHBondContact O-N 3.28Å; D252-A254 VanDerWaalsContact C-N 3.31Å; D252-A254 PolarHBondContact O-N 3.23Å; A254-G256 VanDerWaalsContact C-N 3.27Å; A254-G256 PolarHBondContact O-N 3.21Å; A254-H257 WeakPolarHBondContact O-CB 3.37Å; A254-H257 PolarHBondContact O-N 3.34Å; A254-H257 VanDerWaalsContact O-N 3.16Å; A254-T258 PolarHBondContact O-N 3.03Å
255R98.4Very high97.8Very high80 Ų8016.7 Ų16.730%0.3027%0.069SC..Hα-helixtrans-64.1-30.5172.7-69.1168.1-179.8-178.7-4.1112.8E26 V251 D252 L253 H257 T258 A259E26-R255 HydrophobicContact CG-CG 4.35Å; E26-R255 IonicContact OE1-NE 2.9Å; E26-R255 PolarHBondContact OE1-NE 2.99Å; V251-R255 VanDerWaalsContact O-CG 3.32Å; V251-R255 WeakPolarHBondContact O-CG 3.08Å; V251-R255 PolarHBondContact O-N 2.98Å; D252-R255 WeakPolarHBondContact O-CB 3.49Å; D252-R255 PolarHBondContact O-N 3.36Å; L253-R255 PolarHBondContact O-N 3.44Å; R255-H257 VanDerWaalsContact C-N 3.31Å; R255-H257 PolarHBondContact O-N 2.83Å; R255-T258 PolarHBondContact O-N 3.32Å; R255-T258 PolarHBondContact O-OG1 2.93Å; R255-A259 VanDerWaalsContact O-CB 3.23Å; R255-A259 WeakPolarHBondContact O-CB 3.49Å; R255-A259 PolarHBondContact O-N 2.93Å
256G98.3Very high97.6Very high0 Ų018.5 Ų18.50%09%0.086CC..Hα-helixtrans-63.9-36.6173.400000112.5D252 L253 A254 S260 W326D252-G256 PolarHBondContact O-N 2.86Å; L253-G256 PolarHBondContact O-N 2.98Å; L253-G256 VanDerWaalsContact O-N 3.1Å; A254-G256 VanDerWaalsContact C-N 3.27Å; A254-G256 PolarHBondContact O-N 3.21Å; G256-S260 PolarHBondContact O-N 3.4Å; G256-S260 VanDerWaalsContact O-N 3.09Å; G256-W326 VanDerWaalsContact N-CD1 3.33Å; G256-W326 VanDerWaalsContact N-NE1 3.16Å
257H98.4Very high97.5Very high0 Ų026.4 Ų26.40%012%0.121CC..Hα-helixtrans-67.8-49.4175.2-68.468.1000112V23 M91 F93 Y191 L253 A254 R255 A259 S260 L261V23-H257 HydrophobicContact CG1-CB 4.21Å; V23-H257 HydrophobicContact CG2-CB 4.07Å; M91-H257 HydrophobicContact CE-CB 4.46Å; M91-H257 HydrophobicContact SD-CB 4.26Å; F93-H257 AromaticContact CE1-CD2 3.6Å; F93-H257 AromaticContact CE1-CE1 3.83Å; F93-H257 AromaticContact CE1-NE2 2.99Å; F93-H257 WeakPolarHBondContact CE1-NE2 3.49Å; F93-H257 AromaticContact CZ-CD2 3.23Å; F93-H257 WeakPolarHBondContact CZ-CD2 3.42Å; F93-H257 AromaticContact CZ-NE2 3.2Å; F93-H257 WeakPolarHBondContact CZ-NE2 3.31Å; Y191-H257 AromaticContact CE1-CE1 3.5Å; Y191-H257 VanDerWaalsContact CE1-CE1 3.5Å; Y191-H257 WeakPolarHBondContact CE1-CE1 3.4Å; Y191-H257 AromaticContact CE1-NE2 3.87Å; Y191-H257 AromaticContact CE2-CE1 3.63Å; Y191-H257 AromaticContact CE2-NE2 3.62Å; Y191-H257 AromaticContact CZ-CE1 3.13Å; Y191-H257 AromaticContact CZ-NE2 3.1Å; Y191-H257 PolarHBondContact OH-CD2 3.18Å; Y191-H257 PolarHBondContact OH-CE1 3.13Å; Y191-H257 PolarHBondContact OH-NE2 3.08Å; L253-H257 PolarHBondContact O-N 2.9Å; L253-H257 PolarHBondContact O-ND1 2.8Å; A254-H257 WeakPolarHBondContact O-CB 3.37Å; A254-H257 PolarHBondContact O-N 3.34Å; A254-H257 VanDerWaalsContact O-N 3.16Å; R255-H257 VanDerWaalsContact C-N 3.31Å; R255-H257 PolarHBondContact O-N 2.83Å; H257-A259 VanDerWaalsContact C-N 3.28Å; H257-A259 PolarHBondContact O-N 3.27Å; H257-S260 WeakPolarHBondContact O-CB 3.35Å; H257-S260 PolarHBondContact O-N 2.94Å; H257-S260 PolarHBondContact O-OG 3.37Å; H257-L261 PolarHBondContact O-N 3.15Å
258T97.4Very high97.5Very high5 Ų527.2 Ų27.23%0.03113%0.127CC..Hα-helixtrans-67.1-32.1179.958.10000111.6E26 L27 Q30 A254 R255 S260 L261E26-T258 HydrophobicContact CB-CG2 3.79Å; L27-T258 HydrophobicContact CD2-CG2 3.86Å; L27-T258 HydrophobicContact CG-CG2 4.06Å; Q30-T258 VanDerWaalsContact NE2-CB 3.34Å; Q30-T258 PolarHBondContact NE2-OG1 3.21Å; A254-T258 PolarHBondContact O-N 3.03Å; R255-T258 PolarHBondContact O-N 3.32Å; R255-T258 PolarHBondContact O-OG1 2.93Å; T258-S260 VanDerWaalsContact C-N 3.31Å; T258-S260 PolarHBondContact O-N 3.3Å; T258-L261 WeakPolarHBondContact O-CB 3.46Å; T258-L261 PolarHBondContact O-N 2.82Å
259A97.4Very high97.5Very high7 Ų727.4 Ų27.46%0.05813%0.129CC..Hα-helixtrans-61.8-37.6169.900000112.6R255 H257 L261 R262 L324 W326R255-A259 VanDerWaalsContact O-CB 3.23Å; R255-A259 WeakPolarHBondContact O-CB 3.49Å; R255-A259 PolarHBondContact O-N 2.93Å; H257-A259 VanDerWaalsContact C-N 3.28Å; H257-A259 PolarHBondContact O-N 3.27Å; A259-L261 VanDerWaalsContact C-N 3.27Å; A259-L261 PolarHBondContact O-N 2.92Å; A259-R262 PolarHBondContact O-N 3.25Å; A259-L324 HydrophobicContact CB-CB 4.33Å; A259-W326 HydrophobicContact CB-CB 4.29Å
260S97.8Very high97.4Very high0 Ų029.4 Ų29.40%014%0.14CC..Hα-helixtrans-68-21.3179.277.20000114.3I133 G256 H257 T258 R262 K263 I264I133-S260 WeakPolarHBondContact CD1-OG 3.46Å; G256-S260 PolarHBondContact O-N 3.4Å; G256-S260 VanDerWaalsContact O-N 3.09Å; H257-S260 WeakPolarHBondContact O-CB 3.35Å; H257-S260 PolarHBondContact O-N 2.94Å; H257-S260 PolarHBondContact O-OG 3.37Å; T258-S260 VanDerWaalsContact C-N 3.31Å; T258-S260 PolarHBondContact O-N 3.3Å; S260-R262 PolarHBondContact O-N 2.79Å; S260-K263 WeakPolarHBondContact O-CB 3.43Å; S260-K263 PolarHBondContact O-N 2.76Å; S260-I264 PolarHBondContact O-N 3.14Å
261L97.3Very high97.4Very high0 Ų032.2 Ų32.20%015%0.152CC..Hα-helixtrans-58.5-33.2173.5-76.1173.3000112.6I10 L27 Y32 C89 M91 I133 H257 T258 A259 K263 I264 F265I10-L261 HydrophobicContact CD1-CD1 4.32Å; I10-L261 HydrophobicContact CD1-CD2 3.94Å; L27-L261 HydrophobicContact CD2-CD1 3.67Å; Y32-L261 HydrophobicContact CD2-CD1 4.46Å; Y32-L261 HydrophobicContact CE1-CD1 3.96Å; Y32-L261 HydrophobicContact CE2-CD1 3.89Å; C89-L261 HydrophobicContact CB-CD2 4.23Å; M91-L261 HydrophobicContact CE-CD1 3.54Å; M91-L261 HydrophobicContact CE-CD2 3.65Å; M91-L261 HydrophobicContact CE-CG 3.46Å; M91-L261 VanDerWaalsContact CE-CG 3.46Å; I133-L261 HydrophobicContact CD1-CD2 3.75Å; I133-L261 HydrophobicContact CD1-CG 4.1Å; H257-L261 PolarHBondContact O-N 3.15Å; T258-L261 WeakPolarHBondContact O-CB 3.46Å; T258-L261 PolarHBondContact O-N 2.82Å; A259-L261 VanDerWaalsContact C-N 3.27Å; A259-L261 PolarHBondContact O-N 2.92Å; L261-K263 PolarHBondContact O-N 3.03Å; L261-I264 PolarHBondContact O-N 3.28Å; L261-F265 HydrophobicContact CB-CD2 4.2Å; L261-F265 HydrophobicContact CB-CE2 3.94Å; L261-F265 HydrophobicContact CD1-CE2 4.49Å; L261-F265 HydrophobicContact CD2-CE2 3.94Å; L261-F265 HydrophobicContact CD2-CZ 4.03Å; L261-F265 HydrophobicContact CG-CE2 4.36Å; L261-F265 VanDerWaalsContact O-CD2 3.22Å; L261-F265 WeakPolarHBondContact O-CD2 3.32Å; L261-F265 WeakPolarHBondContact O-CG 3.33Å; L261-F265 PolarHBondContact O-N 2.92Å
262R94.2Very high97.4Very high106 Ų10633.4 Ų33.440%0.416%0.158SC..Hα-helixtrans-60.3-35.7175.5-68.2-168.1-65.7-87.13.2111.9A259 S260 S266 L324A259-R262 PolarHBondContact O-N 3.25Å; S260-R262 PolarHBondContact O-N 2.79Å; R262-S266 VanDerWaalsContact O-CB 3.27Å; R262-S266 WeakPolarHBondContact O-CB 3.42Å; R262-S266 PolarHBondContact O-N 3.32Å; R262-S266 VanDerWaalsContact O-N 3.16Å; R262-S266 PolarHBondContact O-OG 3.46Å; R262-L324 PolarHBondContact NH2-O 3.37Å
263K95.7Very high97.4Very high46 Ų4633.3 Ų33.320%0.216%0.157CC..Hα-helixtrans-70.5-48175.8-68.9-69.4-179.5163.20110.9S260 L261 F265 S266 K267 C268 E323 L324S260-K263 WeakPolarHBondContact O-CB 3.43Å; S260-K263 PolarHBondContact O-N 2.76Å; L261-K263 PolarHBondContact O-N 3.03Å; K263-F265 PolarHBondContact O-N 3.16Å; K263-S266 WeakPolarHBondContact CA-OG 3.45Å; K263-S266 CarbonylContact O-C 3.54Å; K263-S266 PolarHBondContact O-N 3.25Å; K263-S266 VanDerWaalsContact O-N 3.08Å; K263-S266 PolarHBondContact O-OG 2.93Å; K263-K267 PolarHBondContact O-N 3.47Å; K263-C268 HydrophobicContact CB-CB 3.9Å; K263-C268 VanDerWaalsContact O-CB 3.3Å; K263-C268 WeakPolarHBondContact O-CB 3.17Å; K263-C268 PolarHBondContact O-N 3.46Å; K263-E323 WeakPolarHBondContact CE-O 3.42Å; K263-E323 PolarHBondContact NZ-O 2.75Å; K263-E323 IonicContact NZ-OE2 2.73Å; K263-E323 PolarHBondContact NZ-OE2 3.21Å; K263-L324 HydrophobicContact CD-CD2 4.41Å; K263-L324 HydrophobicContact CG-CD2 3.45Å; K263-L324 VanDerWaalsContact CG-CD2 3.45Å
264I97.4Very high97.4Very high0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-52.2-55.1176-69.3-67.5000110.8C89 N131 I133 N185 V187 S260 L261 S266 K267C89-I264 HydrophobicContact CB-CG2 4.47Å; N131-I264 HydrophobicContact CB-CG2 3.55Å; I133-I264 HydrophobicContact CD1-CG1 4.02Å; I133-I264 HydrophobicContact CG1-CD1 4.1Å; I133-I264 HydrophobicContact CG1-CG1 3.78Å; N185-I264 HydrophobicContact CB-CD1 3.99Å; N185-I264 VanDerWaalsContact O-CD1 3.32Å; N185-I264 WeakPolarHBondContact O-CD1 3.13Å; V187-I264 HydrophobicContact CB-CD1 4.33Å; V187-I264 HydrophobicContact CG2-CD1 3.62Å; V187-I264 HydrophobicContact CG2-CG1 3.92Å; S260-I264 PolarHBondContact O-N 3.14Å; L261-I264 PolarHBondContact O-N 3.28Å; I264-S266 PolarHBondContact O-N 2.68Å; I264-K267 PolarHBondContact O-N 3.25Å
265F95.5Very high97.4Very high59 Ų5933.3 Ų33.326%0.25916%0.157SC..Hα-helixtrans-72.9-11.7-178.1-59.7-45.2000114I10 Y32 D88 C89 L261 K263 K267I10-F265 HydrophobicContact CD1-CZ 4.04Å; Y32-F265 HydrophobicContact CE1-CE2 4Å; D88-F265 HydrophobicContact CB-CE1 4.26Å; C89-F265 HydrophobicContact CB-CE1 4.39Å; C89-F265 HydrophobicContact CB-CZ 4.43Å; L261-F265 HydrophobicContact CB-CD2 4.2Å; L261-F265 HydrophobicContact CB-CE2 3.94Å; L261-F265 HydrophobicContact CD1-CE2 4.49Å; L261-F265 HydrophobicContact CD2-CE2 3.94Å; L261-F265 HydrophobicContact CD2-CZ 4.03Å; L261-F265 HydrophobicContact CG-CE2 4.36Å; L261-F265 VanDerWaalsContact O-CD2 3.22Å; L261-F265 WeakPolarHBondContact O-CD2 3.32Å; L261-F265 WeakPolarHBondContact O-CG 3.33Å; L261-F265 PolarHBondContact O-N 2.92Å; K263-F265 PolarHBondContact O-N 3.16Å; F265-K267 VanDerWaalsContact C-N 3.31Å
266S94.8Very high97.4Very high71 Ų7129.6 Ų29.650%0.49714%0.143SC..THydrogen-bonded Turntrans-88.86.3168.772.70000113.9R262 K263 I264R262-S266 VanDerWaalsContact O-CB 3.27Å; R262-S266 WeakPolarHBondContact O-CB 3.42Å; R262-S266 PolarHBondContact O-N 3.32Å; R262-S266 VanDerWaalsContact O-N 3.16Å; R262-S266 PolarHBondContact O-OG 3.46Å; K263-S266 WeakPolarHBondContact CA-OG 3.45Å; K263-S266 CarbonylContact O-C 3.54Å; K263-S266 PolarHBondContact O-N 3.25Å; K263-S266 VanDerWaalsContact O-N 3.08Å; K263-S266 PolarHBondContact O-OG 2.93Å; I264-S266 PolarHBondContact O-N 2.68Å
267K96Very high97.4Very high167 Ų16731.1 Ų31.173%0.72615%0.153SC*.THydrogen-bonded Turntrans58.959.3-176.6-58.1-172.9174.4-164.40113.2N185 K263 I264 F265 G269N185-K267 WeakPolarHBondContact OD1-CA 3.38Å; K263-K267 PolarHBondContact O-N 3.47Å; I264-K267 PolarHBondContact O-N 3.25Å; F265-K267 VanDerWaalsContact C-N 3.31Å; K267-G269 PolarHBondContact O-N 3.31Å
268C97.2Very high97.4Very high24 Ų2432.4 Ų32.416%0.16217%0.166CC..  trans-70.9-8.5-173.562.70000115.9N185 K263 K271N185-C268 PolarHBondContact OD1-N 2.87Å; N185-C268 VanDerWaalsContact OD1-N 3.15Å; K263-C268 HydrophobicContact CB-CB 3.9Å; K263-C268 VanDerWaalsContact O-CB 3.3Å; K263-C268 WeakPolarHBondContact O-CB 3.17Å; K263-C268 PolarHBondContact O-N 3.46Å; C268-K271 HydrophobicContact CB-CG 3.84Å
269G98.4Very high97.4Very high4 Ų436.7 Ų36.74%0.04119%0.189CC..  trans62.3-136.5-165.700000110.5Y178 W184 N185 I186 K267Y178-G269 VanDerWaalsContact CE2-CA 3.42Å; W184-G269 WeakPolarHBondContact O-CA 3.46Å; N185-G269 CarbonylContact C-O 3.56Å; N185-G269 WeakPolarHBondContact CA-O 3.32Å; N185-G269 PolarHBondContact OD1-N 3.26Å; I186-G269 PolarHBondContact N-O 3.4Å; K267-G269 PolarHBondContact O-N 3.31Å
270L98.4Very high97.4Very high42 Ų4237.7 Ų37.722%0.2220%0.2CC..EExtended strand (participates in β ladder)trans-89.8122.9175.3-179.569.2000112.2R175 Y178 I186 L188R175-L270 HydrophobicContact CG-CD2 3.81Å; Y178-L270 HydrophobicContact CD1-CB 3.58Å; Y178-L270 HydrophobicContact CD1-CD2 4.42Å; Y178-L270 HydrophobicContact CD2-CB 4.44Å; Y178-L270 HydrophobicContact CE1-CB 3.86Å; Y178-L270 HydrophobicContact CG-CB 3.89Å; I186-L270 HydrophobicContact CB-CD1 3.7Å; I186-L270 HydrophobicContact CG2-CD1 3.6Å; I186-L270 CarbonylContact O-C 3.44Å; I186-L270 WeakPolarHBondContact O-CA 3.47Å; L188-L270 HydrophobicContact CD1-CD1 4.07Å; L188-L270 HydrophobicContact CG-CD1 4.06Å
271K98.5Very high97.4Very high60 Ų6040.2 Ų40.226%0.26121%0.211SC..EExtended strand (participates in β ladder)trans-130.4150.8173.9-70.6-68.1-172.3158.30111.7I186 V187 L188 C268 Y273 E323I186-K271 PolarHBondContact O-N 2.93Å; V187-K271 CarbonylContact C-O 3.55Å; V187-K271 WeakPolarHBondContact CA-O 3.49Å; V187-K271 HydrophobicContact CG2-CB 4.39Å; L188-K271 PolarHBondContact N-O 3.29Å; C268-K271 HydrophobicContact CB-CG 3.84Å; K271-Y273 HydrophobicContact CB-CE2 3.64Å; K271-Y273 HydrophobicContact CG-CE2 4.48Å; K271-E323 IonicContact NZ-OE1 3.95Å; K271-E323 PolarHBondContact NZ-OE1 3.32Å; K271-E323 IonicContact NZ-OE2 2.96Å; K271-E323 PolarHBondContact NZ-OE2 2.99Å
272I98.7Very high97.5Very high29 Ų2940.2 Ų40.215%0.14921%0.211CC..EExtended strand (participates in β ladder)trans-134.9133.5-176.4-50.6175.7000108E151 L188 L319E151-I272 HydrophobicContact CB-CG2 4.37Å; E151-I272 HydrophobicContact CG-CG2 4.2Å; L188-I272 HydrophobicContact CB-CG1 4.2Å; L188-I272 HydrophobicContact CB-CG2 4.34Å; L188-I272 HydrophobicContact CD1-CD1 4.29Å; L188-I272 HydrophobicContact CD1-CG1 4.1Å; L188-I272 HydrophobicContact CG-CG1 4.4Å; L188-I272 VanDerWaalsContact O-CA 3.31Å; L188-I272 WeakPolarHBondContact O-CA 3.45Å; I272-L319 WeakPolarHBondContact O-CD2 3.49Å
273Y98.8Very high97.7Very high0 Ų036.2 Ų36.20%020%0.198CC..EExtended strand (participates in β ladder)trans-139.6137177.7-55.9-77.5000111.2E151 V187 L188 L189 R190 K271 L319 A320 E323 L324E151-Y273 WeakPolarHBondContact OE1-CA 3.42Å; V187-Y273 HydrophobicContact CG1-CD2 3.79Å; V187-Y273 HydrophobicContact CG1-CE2 3.97Å; L188-Y273 PolarHBondContact O-N 3.17Å; L189-Y273 WeakPolarHBondContact CA-O 3.25Å; L189-Y273 HydrophobicContact CD2-CD2 3.85Å; L189-Y273 HydrophobicContact CD2-CG 4.38Å; R190-Y273 PolarHBondContact N-O 3.34Å; K271-Y273 HydrophobicContact CB-CE2 3.64Å; K271-Y273 HydrophobicContact CG-CE2 4.48Å; Y273-L319 HydrophobicContact CD1-CB 4.49Å; Y273-L319 HydrophobicContact CD1-CD2 4.07Å; Y273-L319 HydrophobicContact CD1-CG 3.88Å; Y273-L319 HydrophobicContact CE1-CD2 4.22Å; Y273-L319 HydrophobicContact CE1-CG 3.9Å; Y273-A320 HydrophobicContact CD1-CB 4.35Å; Y273-E323 HydrophobicContact CE1-CB 3.76Å; Y273-E323 HydrophobicContact CE1-CG 4.4Å; Y273-E323 PolarHBondContact OH-OE2 2.93Å; Y273-E323 VanDerWaalsContact OH-OE2 3.05Å; Y273-L324 HydrophobicContact CD1-CD1 4.21Å; Y273-L324 HydrophobicContact CD1-CG 4.24Å; Y273-L324 HydrophobicContact CD2-CD1 3.81Å; Y273-L324 HydrophobicContact CD2-CD2 4.35Å; Y273-L324 HydrophobicContact CD2-CG 4.31Å; Y273-L324 HydrophobicContact CE1-CD1 4.47Å; Y273-L324 HydrophobicContact CE1-CD2 4.28Å; Y273-L324 HydrophobicContact CE1-CG 4.07Å; Y273-L324 HydrophobicContact CE2-CD1 4.09Å; Y273-L324 HydrophobicContact CE2-CD2 3.76Å; Y273-L324 HydrophobicContact CE2-CG 4.12Å; Y273-L324 HydrophobicContact CG-CD1 3.86Å; Y273-L324 HydrophobicContact CG-CG 4.35Å
274N98.8Very high97.8Very high0 Ų036.3 Ų36.30%020%0.201CC..EExtended strand (participates in β ladder)trans-78.3128.1161.8-72.7-33000109.3Y141 I149 E151 F192 C315 D316Y141-N274 WeakPolarHBondContact CE2-OD1 3.36Å; Y141-N274 VanDerWaalsContact OH-CG 3.31Å; Y141-N274 PolarHBondContact OH-ND2 3.23Å; Y141-N274 PolarHBondContact OH-OD1 3.08Å; I149-N274 PolarHBondContact O-ND2 2.77Å; E151-N274 PolarHBondContact N-ND2 3.15Å; E151-N274 PolarHBondContact OE1-N 3.33Å; F192-N274 HydrophobicContact CE2-CB 4.08Å; N274-C315 HydrophobicContact CB-CB 3.81Å; N274-D316 PolarHBondContact ND2-O 3.18Å
275L98.8Very high97.8Very high0 Ų039.8 Ų39.80%022%0.217CC..EExtended strand (participates in β ladder)trans-112.1101.7169.8-54.1-172.1000109.3L189 R190 Y191 F192 L253 A320 W326L189-L275 HydrophobicContact CB-CD1 4.19Å; L189-L275 HydrophobicContact CB-CG 4.45Å; L189-L275 HydrophobicContact CD1-CD1 4.01Å; L189-L275 HydrophobicContact CD2-CD1 4.19Å; L189-L275 HydrophobicContact CD2-CG 4.38Å; L189-L275 HydrophobicContact CG-CD1 4.38Å; R190-L275 PolarHBondContact O-N 3.02Å; R190-L275 VanDerWaalsContact O-N 3.07Å; Y191-L275 HydrophobicContact CD1-CB 4.02Å; Y191-L275 HydrophobicContact CD1-CD1 3.97Å; Y191-L275 HydrophobicContact CD1-CG 4.21Å; Y191-L275 HydrophobicContact CE1-CD1 3.74Å; Y191-L275 HydrophobicContact CE1-CG 4.35Å; F192-L275 PolarHBondContact N-O 3.48Å; L253-L275 HydrophobicContact CD1-CB 3.55Å; L253-L275 HydrophobicContact CD1-CD1 3.72Å; L253-L275 HydrophobicContact CD1-CG 4.3Å; L275-A320 HydrophobicContact CD2-CB 3.99Å; L275-W326 HydrophobicContact CB-CH2 3.86Å; L275-W326 HydrophobicContact CB-CZ2 4.42Å; L275-W326 HydrophobicContact CB-CZ3 4.19Å; L275-W326 HydrophobicContact CD2-CD2 4.19Å; L275-W326 HydrophobicContact CD2-CE3 3.71Å; L275-W326 HydrophobicContact CD2-CH2 4.05Å; L275-W326 HydrophobicContact CD2-CZ2 4.48Å; L275-W326 HydrophobicContact CD2-CZ3 3.64Å; L275-W326 HydrophobicContact CG-CH2 4.48Å; L275-W326 HydrophobicContact CG-CZ3 4.49Å
276G98.4Very high98Very high1 Ų137 Ų371%0.0120%0.204CC..SBendtrans-155.4-174.5175.200000110.3C315G276-C315 WeakPolarHBondContact CA-SG 3.33Å
277T98.3Very high98.2Very high33 Ų3333.8 Ų33.820%0.20218%0.182CC..  trans-94.7-19.5179.169.50000112.7D246 Y247 V248 N279 A328 M335D246-T277 VanDerWaalsContact CG-N 3.34Å; D246-T277 WeakPolarHBondContact OD1-CB 3.38Å; D246-T277 PolarHBondContact OD1-N 2.91Å; D246-T277 PolarHBondContact OD1-OG1 2.59Å; D246-T277 PolarHBondContact OD2-N 3.34Å; D246-T277 VanDerWaalsContact OD2-N 3.12Å; Y247-T277 WeakPolarHBondContact O-CG2 3.25Å; V248-T277 HydrophobicContact CB-CG2 4.24Å; V248-T277 HydrophobicContact CG2-CG2 4.37Å; T277-N279 PolarHBondContact O-ND2 3.34Å; T277-N279 PolarHBondContact OG1-N 2.66Å; T277-A328 HydrophobicContact CG2-CB 3.79Å; T277-M335 HydrophobicContact CG2-CE 4.08Å
278G97.5Very high98.3Very high26 Ų2633.2 Ų33.227%0.26818%0.18SC..SBendtrans76.44.2-168.200000115.2D246 C315D246-G278 WeakPolarHBondContact OD2-CA 3.45Å; D246-G278 PolarHBondContact OD2-N 3.05Å; G278-C315 WeakPolarHBondContact CA-O 2.82Å
279N97.1Very high98.4Very high96 Ų9634.9 Ų34.951%0.51319%0.185SC..  trans-108.6119.2178.2-58.3-68.4000110.6D246 T277 F281D246-N279 WeakPolarHBondContact CA-O 3.38Å; T277-N279 PolarHBondContact O-ND2 3.34Å; T277-N279 PolarHBondContact OG1-N 2.66Å; N279-F281 HydrophobicContact CB-CE2 3.82Å; N279-F281 HydrophobicContact CB-CZ 4.22Å
280G97.5Very high98.4Very high28 Ų2834.7 Ų34.729%0.28918%0.183SC..EExtended strand (participates in β ladder)trans-84.8128173.300000112.1R245R245-G280 WeakPolarHBondContact O-CA 3.22Å
281F98.4Very high98.4Very high53 Ų5334.1 Ų34.123%0.23218%0.18CC..EExtended strand (participates in β ladder)trans-117.4140.8170.3-61.3-85.3000111.2V244 R245 Y247 N279 Q285 V286 L332V244-F281 CarbonylContact C-O 3.53Å; V244-F281 VanDerWaalsContact CA-O 3.31Å; V244-F281 WeakPolarHBondContact CA-O 3.32Å; R245-F281 PolarHBondContact N-O 2.93Å; R245-F281 PolarHBondContact O-N 3.23Å; Y247-F281 HydrophobicContact CD2-CB 3.96Å; Y247-F281 HydrophobicContact CD2-CD2 4.31Å; Y247-F281 HydrophobicContact CE2-CB 4.05Å; Y247-F281 WeakPolarHBondContact CE2-O 3.37Å; N279-F281 HydrophobicContact CB-CE2 3.82Å; N279-F281 HydrophobicContact CB-CZ 4.22Å; F281-Q285 HydrophobicContact CB-CB 4.4Å; F281-Q285 HydrophobicContact CD1-CB 4.46Å; F281-V286 HydrophobicContact CB-CG2 4.24Å; F281-L332 HydrophobicContact CB-CD2 4.3Å; F281-L332 HydrophobicContact CD1-CD2 3.63Å; F281-L332 HydrophobicContact CD2-CB 4.46Å; F281-L332 HydrophobicContact CD2-CD2 4.24Å; F281-L332 HydrophobicContact CE1-CB 4.36Å; F281-L332 HydrophobicContact CE1-CD2 3.92Å; F281-L332 HydrophobicContact CE2-CB 4.07Å; F281-L332 HydrophobicContact CG-CD2 3.8Å; F281-L332 HydrophobicContact CZ-CB 4.01Å; F281-L332 HydrophobicContact CZ-CD2 4.35Å
282S98.4Very high98.4Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-74.3163.4173.5770000112.1D240 T242 G243 L284 Q285 V286D240-S282 WeakPolarHBondContact OD1-CB 3.44Å; D240-S282 WeakPolarHBondContact OD2-CB 3.44Å; D240-S282 PolarHBondContact OD2-OG 3.49Å; T242-S282 WeakPolarHBondContact OG1-CB 3.28Å; G243-S282 CarbonylContact O-C 3.56Å; G243-S282 WeakPolarHBondContact O-CA 3.29Å; S282-L284 VanDerWaalsContact C-N 3.26Å; S282-L284 PolarHBondContact O-N 3.01Å; S282-L284 PolarHBondContact OG-N 3.43Å; S282-Q285 PolarHBondContact O-N 3.13Å; S282-Q285 WeakPolarHBondContact OG-CB 3.36Å; S282-Q285 VanDerWaalsContact OG-CG 3.29Å; S282-Q285 WeakPolarHBondContact OG-CG 3.47Å; S282-Q285 PolarHBondContact OG-N 3.01Å; S282-V286 WeakPolarHBondContact O-CG2 3.31Å; S282-V286 PolarHBondContact O-N 3.03Å; S282-V286 VanDerWaalsContact O-N 3.1Å
283V98.2Very high98.4Very high21 Ų2135.2 Ų35.213%0.12720%0.201CC..Hα-helixtrans-55.5-44173.5176.90000111L214 V231 T242 G243 V286 V287L214-V283 HydrophobicContact CD1-CG1 3.81Å; L214-V283 HydrophobicContact CD2-CB 4.35Å; L214-V283 HydrophobicContact CD2-CG1 4.08Å; L214-V283 HydrophobicContact CD2-CG2 4.21Å; V231-V283 HydrophobicContact CG1-CG1 4.07Å; V231-V283 HydrophobicContact CG2-CG1 4.14Å; T242-V283 PolarHBondContact OG1-N 3.33Å; G243-V283 PolarHBondContact O-N 3.22Å; G243-V283 VanDerWaalsContact O-N 3.13Å; V283-V286 PolarHBondContact O-N 3.02Å; V283-V287 WeakPolarHBondContact O-CG2 3.36Å; V283-V287 PolarHBondContact O-N 3.23Å
284L98.5Very high98.3Very high49 Ų4935.9 Ų35.926%0.25721%0.205SC..Hα-helixtrans-71.5-32.8-177.8-55.5-179.7000112.6D240 T242 S282 V287 K288 L300 F302D240-L284 HydrophobicContact CB-CD1 4.23Å; D240-L284 WeakPolarHBondContact OD2-CB 3.31Å; T242-L284 HydrophobicContact CG2-CD1 3.91Å; T242-L284 HydrophobicContact CG2-CD2 4.24Å; T242-L284 HydrophobicContact CG2-CG 3.7Å; S282-L284 VanDerWaalsContact C-N 3.26Å; S282-L284 PolarHBondContact O-N 3.01Å; S282-L284 PolarHBondContact OG-N 3.43Å; L284-V287 PolarHBondContact O-N 3.09Å; L284-K288 VanDerWaalsContact O-CB 3.31Å; L284-K288 WeakPolarHBondContact O-CB 3.01Å; L284-K288 PolarHBondContact O-N 3.45Å; L284-L300 HydrophobicContact CD2-CD1 3.82Å; L284-F302 HydrophobicContact CD2-CE1 4.31Å; L284-F302 HydrophobicContact CD2-CZ 4.25Å
285Q98.5Very high98.3Very high72 Ų7239.2 Ų39.234%0.33624%0.24SC..Hα-helixtrans-63.2-42.4172.5-75.9174.8-37.200111.4F281 S282 K288 M289F281-Q285 HydrophobicContact CB-CB 4.4Å; F281-Q285 HydrophobicContact CD1-CB 4.46Å; S282-Q285 PolarHBondContact O-N 3.13Å; S282-Q285 WeakPolarHBondContact OG-CB 3.36Å; S282-Q285 VanDerWaalsContact OG-CG 3.29Å; S282-Q285 WeakPolarHBondContact OG-CG 3.47Å; S282-Q285 PolarHBondContact OG-N 3.01Å; Q285-K288 PolarHBondContact O-N 2.89Å; Q285-M289 PolarHBondContact O-N 2.92Å
286V98.6Very high98.2Very high0 Ų041.1 Ų41.10%025%0.252CS..Hα-helixtrans-62.1-48.2174.7175.80000111.1L214 M215 Y247 F281 S282 V283 K288 M289 F290 L332L214-V286 HydrophobicContact CD2-CB 4.08Å; L214-V286 HydrophobicContact CD2-CG1 4.05Å; L214-V286 HydrophobicContact CD2-CG2 4.28Å; M215-V286 HydrophobicContact CE-CG1 3.69Å; M215-V286 HydrophobicContact SD-CG1 4.25Å; Y247-V286 HydrophobicContact CD2-CG2 3.8Å; Y247-V286 HydrophobicContact CE1-CG2 4.47Å; Y247-V286 HydrophobicContact CE2-CG2 3.32Å; F281-V286 HydrophobicContact CB-CG2 4.24Å; S282-V286 WeakPolarHBondContact O-CG2 3.31Å; S282-V286 PolarHBondContact O-N 3.03Å; S282-V286 VanDerWaalsContact O-N 3.1Å; V283-V286 PolarHBondContact O-N 3.02Å; V286-K288 PolarHBondContact O-N 3.27Å; V286-M289 PolarHBondContact O-N 2.92Å; V286-F290 WeakPolarHBondContact O-CB 3.38Å; V286-F290 PolarHBondContact O-N 3.31Å; V286-L332 HydrophobicContact CG2-CD1 4.13Å; V286-L332 HydrophobicContact CG2-CD2 4.45Å
287V98.6Very high98.2Very high4 Ų448 Ų482%0.02428%0.282CS..Hα-helixtrans-56.9-50.7177.21700000110.5V218 L229 V283 L284 M289 F290 E291 I298 L300V218-V287 HydrophobicContact CG2-CG2 4.31Å; L229-V287 HydrophobicContact CD2-CG2 3.39Å; V283-V287 WeakPolarHBondContact O-CG2 3.36Å; V283-V287 PolarHBondContact O-N 3.23Å; L284-V287 PolarHBondContact O-N 3.09Å; V287-M289 VanDerWaalsContact C-N 3.31Å; V287-M289 PolarHBondContact O-N 3.35Å; V287-F290 PolarHBondContact O-N 3.1Å; V287-F290 VanDerWaalsContact O-N 3.09Å; V287-E291 HydrophobicContact CG1-CG 4.23Å; V287-E291 WeakPolarHBondContact O-CG 3.46Å; V287-E291 PolarHBondContact O-N 2.91Å; V287-I298 HydrophobicContact CG1-CB 4.35Å; V287-I298 HydrophobicContact CG1-CD1 4.39Å; V287-L300 HydrophobicContact CG1-CD1 4.44Å; V287-L300 HydrophobicContact CG1-CD2 4.07Å; V287-L300 HydrophobicContact CG2-CD2 4.2Å
288K98.6Very high98.2Very high156 Ų15646.6 Ų46.668%0.67827%0.273SS*.Hα-helixtrans-59.1-41.9-179.1-176.1179.5179.6-179.30112.1L284 Q285 V286 A292L284-K288 VanDerWaalsContact O-CB 3.31Å; L284-K288 WeakPolarHBondContact O-CB 3.01Å; L284-K288 PolarHBondContact O-N 3.45Å; Q285-K288 PolarHBondContact O-N 2.89Å; V286-K288 PolarHBondContact O-N 3.27Å; K288-A292 PolarHBondContact O-N 3.09Å; K288-A292 VanDerWaalsContact O-N 3.1Å
289M98.7Very high98.2Very high58 Ų5851.3 Ų51.329%0.28629%0.288SS..Hα-helixtrans-64.7-42.5175.7-174.458.671.900111.3Q285 V286 V287 A292 V293 L332 R333 C336Q285-M289 PolarHBondContact O-N 2.92Å; V286-M289 PolarHBondContact O-N 2.92Å; V287-M289 VanDerWaalsContact C-N 3.31Å; V287-M289 PolarHBondContact O-N 3.35Å; M289-A292 WeakPolarHBondContact O-CB 3.5Å; M289-A292 PolarHBondContact O-N 2.84Å; M289-V293 WeakPolarHBondContact O-CG2 3.31Å; M289-V293 PolarHBondContact O-N 2.93Å; M289-L332 HydrophobicContact CB-CD2 4.02Å; M289-L332 HydrophobicContact CB-CG 4.27Å; M289-L332 HydrophobicContact CG-CD2 4.28Å; M289-L332 HydrophobicContact CG-CG 4.07Å; M289-R333 HydrophobicContact CE-CB 4.22Å; M289-R333 HydrophobicContact CG-CB 4.44Å; M289-R333 HydrophobicContact SD-CB 3.76Å; M289-R333 HydrophobicContact SD-CG 3.77Å; M289-C336 HydrophobicContact CG-CB 4.31Å
290F98.7Very high98.3Very high0 Ų049.4 Ų49.40%028%0.277CS..Hα-helixtrans-66.9-39.7179.1-152.7-77.8000112.4M215 V218 A222 V286 V287 A292 V293 S294 I298 C336 T339 W340M215-F290 HydrophobicContact SD-CD2 3.7Å; M215-F290 HydrophobicContact SD-CE2 3.84Å; V218-F290 HydrophobicContact CG1-CB 3.47Å; V218-F290 VanDerWaalsContact CG1-CB 3.47Å; V218-F290 HydrophobicContact CG1-CD1 3.79Å; V218-F290 HydrophobicContact CG1-CD2 3.67Å; V218-F290 HydrophobicContact CG1-CE1 4.47Å; V218-F290 HydrophobicContact CG1-CE2 4.36Å; V218-F290 HydrophobicContact CG1-CG 3.34Å; A222-F290 HydrophobicContact CB-CD1 3.87Å; A222-F290 HydrophobicContact CB-CE1 3.61Å; V286-F290 WeakPolarHBondContact O-CB 3.38Å; V286-F290 PolarHBondContact O-N 3.31Å; V287-F290 PolarHBondContact O-N 3.1Å; V287-F290 VanDerWaalsContact O-N 3.09Å; F290-A292 VanDerWaalsContact C-N 3.31Å; F290-A292 PolarHBondContact O-N 3.15Å; F290-V293 PolarHBondContact O-N 3.16Å; F290-S294 VanDerWaalsContact O-CB 3.3Å; F290-S294 WeakPolarHBondContact O-CB 3.47Å; F290-S294 PolarHBondContact O-N 2.72Å; F290-S294 PolarHBondContact O-OG 3.25Å; F290-I298 HydrophobicContact CD1-CD1 4.31Å; F290-C336 HydrophobicContact CD2-CB 3.87Å; F290-C336 HydrophobicContact CE2-CB 4.4Å; F290-C336 HydrophobicContact CG-CB 4.5Å; F290-T339 HydrophobicContact CE2-CG2 3.75Å; F290-T339 HydrophobicContact CZ-CG2 4.08Å; F290-W340 HydrophobicContact CE1-CB 4.4Å; F290-W340 HydrophobicContact CE1-CD2 4.24Å; F290-W340 AromaticContact CE1-CE3 3.68Å; F290-W340 HydrophobicContact CE1-CE3 3.68Å; F290-W340 HydrophobicContact CE1-CZ3 4.33Å; F290-W340 HydrophobicContact CZ-CB 3.98Å; F290-W340 HydrophobicContact CZ-CD2 4.48Å; F290-W340 AromaticContact CZ-CE3 3.91Å; F290-W340 HydrophobicContact CZ-CE3 3.91Å
291E98.7Very high98.3Very high31 Ų3152.4 Ų52.415%0.14528%0.282CS..Hα-helixtrans-59.6-42.2172.4-68.5-171.3139.800111.1V287 V293 G295 T296 K297 I298V287-E291 HydrophobicContact CG1-CG 4.23Å; V287-E291 WeakPolarHBondContact O-CG 3.46Å; V287-E291 PolarHBondContact O-N 2.91Å; E291-V293 VanDerWaalsContact C-N 3.35Å; E291-V293 PolarHBondContact O-N 2.97Å; E291-G295 WeakPolarHBondContact O-CA 3.12Å; E291-G295 PolarHBondContact O-N 2.74Å; E291-T296 WeakPolarHBondContact CG-O 3.09Å; E291-K297 WeakPolarHBondContact OE1-CA 3.39Å; E291-K297 WeakPolarHBondContact OE1-CD 3.32Å; E291-K297 WeakPolarHBondContact OE1-CE 2.88Å; E291-K297 IonicContact OE1-NZ 3.74Å; E291-K297 PolarHBondContact OE1-NZ 2.76Å; E291-K297 IonicContact OE2-NZ 3.18Å; E291-K297 PolarHBondContact OE2-NZ 3.01Å; E291-I298 HydrophobicContact CG-CB 4.3Å; E291-I298 HydrophobicContact CG-CD1 4.12Å; E291-I298 HydrophobicContact CG-CG1 4.03Å; E291-I298 PolarHBondContact OE1-N 3.46Å
292A98.6Very high98.3Very high79 Ų7955 Ų5565%0.65329%0.294SS*.Hα-helixtrans-65.8-34.8177.900000113.1K288 M289 F290K288-A292 PolarHBondContact O-N 3.09Å; K288-A292 VanDerWaalsContact O-N 3.1Å; M289-A292 WeakPolarHBondContact O-CB 3.5Å; M289-A292 PolarHBondContact O-N 2.84Å; F290-A292 VanDerWaalsContact C-N 3.31Å; F290-A292 PolarHBondContact O-N 3.15Å
293V98.4Very high98.1Very high32 Ų3258.1 Ų58.119%0.19431%0.308CS..Hα-helixtrans-78.3-44.8177.6166.90000112.3M289 F290 E291 R333 C336 I337 W340M289-V293 WeakPolarHBondContact O-CG2 3.31Å; M289-V293 PolarHBondContact O-N 2.93Å; F290-V293 PolarHBondContact O-N 3.16Å; E291-V293 VanDerWaalsContact C-N 3.35Å; E291-V293 PolarHBondContact O-N 2.97Å; V293-R333 HydrophobicContact CG2-CG 4.13Å; V293-C336 HydrophobicContact CB-CB 4.18Å; V293-C336 HydrophobicContact CG1-CB 4.36Å; V293-C336 HydrophobicContact CG2-CB 3.91Å; V293-I337 HydrophobicContact CG1-CB 4.35Å; V293-I337 HydrophobicContact CG1-CG1 3.78Å; V293-I337 HydrophobicContact CG2-CG1 4.01Å; V293-W340 HydrophobicContact CG1-CB 4.27Å
294S97.9Very high98Very high14 Ų1465.4 Ų65.410%0.09834%0.341CS..Hα-helixtrans-82.1-15.9-175.963.40000113.8F290 T296F290-S294 VanDerWaalsContact O-CB 3.3Å; F290-S294 WeakPolarHBondContact O-CB 3.47Å; F290-S294 PolarHBondContact O-N 2.72Å; F290-S294 PolarHBondContact O-OG 3.25Å; S294-T296 PolarHBondContact O-N 3.41Å; S294-T296 PolarHBondContact O-OG1 2.99Å; S294-T296 PolarHBondContact OG-N 2.94Å
295G98.1Very high97.8Very high71 Ų7168.3 Ų68.373%0.73235%0.348SS*.  trans65.911.6-173.200000113.7E291E291-G295 WeakPolarHBondContact O-CA 3.12Å; E291-G295 PolarHBondContact O-N 2.74Å
296T97.2Very high97.3Very high40 Ų4068.2 Ų68.225%0.24535%0.345CS..  trans-116.7131.6-173.2-57.10000110.6A222 E291 S294A222-T296 WeakPolarHBondContact O-CG2 3.27Å; E291-T296 WeakPolarHBondContact CG-O 3.09Å; S294-T296 PolarHBondContact O-N 3.41Å; S294-T296 PolarHBondContact O-OG1 2.99Å; S294-T296 PolarHBondContact OG-N 2.94Å
297K97.8Very high96.7Very high146 Ų14672.9 Ų72.964%0.63538%0.376SS*.PPolyproline II helixtrans-72.2131.1172.4-168.675.6-159.1152.20110.5K224 E291K224-K297 PolarHBondContact NZ-O 2.8Å; E291-K297 WeakPolarHBondContact OE1-CA 3.39Å; E291-K297 WeakPolarHBondContact OE1-CD 3.32Å; E291-K297 WeakPolarHBondContact OE1-CE 2.88Å; E291-K297 IonicContact OE1-NZ 3.74Å; E291-K297 PolarHBondContact OE1-NZ 2.76Å; E291-K297 IonicContact OE2-NZ 3.18Å; E291-K297 PolarHBondContact OE2-NZ 3.01Å
298I98.3Very high95.9Very high3 Ų374 Ų742%0.01539%0.387CS..PPolyproline II helixtrans-101.5122.4177.3-61.6174000108.1V218 A221 A222 L229 V287 F290 E291 L300V218-I298 HydrophobicContact CG1-CD1 3.69Å; A221-I298 HydrophobicContact CB-CG2 3.78Å; A222-I298 HydrophobicContact CB-CD1 4.07Å; A222-I298 HydrophobicContact CB-CG1 4.15Å; L229-I298 HydrophobicContact CB-CG2 3.8Å; L229-I298 HydrophobicContact CD2-CG2 4.4Å; V287-I298 HydrophobicContact CG1-CB 4.35Å; V287-I298 HydrophobicContact CG1-CD1 4.39Å; F290-I298 HydrophobicContact CD1-CD1 4.31Å; E291-I298 HydrophobicContact CG-CB 4.3Å; E291-I298 HydrophobicContact CG-CD1 4.12Å; E291-I298 HydrophobicContact CG-CG1 4.03Å; E291-I298 PolarHBondContact OE1-N 3.46Å; I298-L300 HydrophobicContact CG2-CD2 4.01Å
299E98.2Very high95.4Very high125 Ų12568.8 Ų68.858%0.58437%0.367SS*.PPolyproline II helixtrans-73.1132.3172.6-171.6175.6164.900109.4F228 L229F228-E299 CarbonylContact C-O 3.53Å; F228-E299 VanDerWaalsContact CA-O 3.28Å; F228-E299 WeakPolarHBondContact CA-O 3.38Å; F228-E299 HydrophobicContact CB-CB 4.02Å; F228-E299 HydrophobicContact CB-CG 4.04Å; F228-E299 WeakPolarHBondContact CB-O 3.47Å; L229-E299 PolarHBondContact N-O 3.47Å
300L98.3Very high95Very high56 Ų5667.6 Ų67.629%0.29336%0.361SS..EExtended strand (participates in β ladder)trans-110.8132.2-177.6-58.8-175.9000110.2L229 V231 L284 V287 I298 F302L229-L300 HydrophobicContact CB-CD2 3.96Å; L229-L300 HydrophobicContact CD2-CD2 3.86Å; L229-L300 HydrophobicContact CG-CD2 4.3Å; L229-L300 WeakPolarHBondContact O-CA 3.39Å; V231-L300 HydrophobicContact CG2-CB 4.47Å; V231-L300 HydrophobicContact CG2-CD2 4.13Å; L284-L300 HydrophobicContact CD2-CD1 3.82Å; V287-L300 HydrophobicContact CG1-CD1 4.44Å; V287-L300 HydrophobicContact CG1-CD2 4.07Å; V287-L300 HydrophobicContact CG2-CD2 4.2Å; I298-L300 HydrophobicContact CG2-CD2 4.01Å; L300-F302 HydrophobicContact CB-CE2 4.39Å; L300-F302 HydrophobicContact CD1-CZ 4.48Å
301K97.8Very high94.8Very high90 Ų9070.1 Ų70.139%0.39138%0.378SS..EExtended strand (participates in β ladder)trans-116.1113.5168.8-171.7-178.5-179.5-1410109.1F228 L229 R230 V231 E303F228-K301 HydrophobicContact CD2-CB 3.53Å; F228-K301 HydrophobicContact CD2-CD 4.08Å; F228-K301 HydrophobicContact CD2-CG 4.44Å; F228-K301 HydrophobicContact CE1-CD 4.42Å; F228-K301 HydrophobicContact CE2-CB 3.92Å; F228-K301 HydrophobicContact CE2-CD 3.58Å; F228-K301 HydrophobicContact CE2-CG 4.38Å; F228-K301 HydrophobicContact CG-CB 4.06Å; F228-K301 HydrophobicContact CZ-CD 3.78Å; L229-K301 PolarHBondContact O-N 3.29Å; R230-K301 CarbonylContact C-O 3.52Å; R230-K301 VanDerWaalsContact CA-O 3.32Å; R230-K301 WeakPolarHBondContact CA-O 3.39Å; V231-K301 PolarHBondContact N-O 2.51Å; K301-E303 WeakPolarHBondContact CD-OE1 3.23Å; K301-E303 VanDerWaalsContact CE-OE1 3.28Å; K301-E303 WeakPolarHBondContact CE-OE1 3.09Å; K301-E303 IonicContact NZ-OE1 2.73Å; K301-E303 PolarHBondContact NZ-OE1 3.46Å; K301-E303 IonicContact NZ-OE2 3.74Å
302F97.4Very high94.6Very high109 Ų10970 Ų7048%0.47838%0.381SS..EExtended strand (participates in β ladder)trans-77.2133175-65.9-85.8000110V231 A234 L284 L300V231-F302 HydrophobicContact CB-CD1 3.8Å; V231-F302 HydrophobicContact CB-CE1 4.03Å; V231-F302 HydrophobicContact CG1-CD1 3.81Å; V231-F302 HydrophobicContact CG1-CE1 3.8Å; V231-F302 HydrophobicContact CG2-CE1 4.43Å; V231-F302 WeakPolarHBondContact O-CA 3.44Å; A234-F302 HydrophobicContact CB-CD1 3.77Å; A234-F302 HydrophobicContact CB-CE1 4.12Å; L284-F302 HydrophobicContact CD2-CE1 4.31Å; L284-F302 HydrophobicContact CD2-CZ 4.25Å; L300-F302 HydrophobicContact CB-CE2 4.39Å; L300-F302 HydrophobicContact CD1-CZ 4.48Å
303E95.8Very high94.5Very high65 Ų6566.9 Ų66.930%0.30435%0.353SS..EExtended strand (participates in β ladder)trans-126.2168.5179.5-57.9-78.5-171.200108.8R230 V231 F232 G233 K301R230-E303 HydrophobicContact CB-CG 4.15Å; R230-E303 HydrophobicContact CG-CG 4.17Å; R230-E303 IonicContact NE-OE1 3.8Å; V231-E303 PolarHBondContact O-N 2.92Å; F232-E303 HydrophobicContact CD1-CB 4Å; F232-E303 HydrophobicContact CE1-CB 4.34Å; F232-E303 HydrophobicContact CE1-CG 4.46Å; G233-E303 PolarHBondContact N-O 3.25Å; K301-E303 WeakPolarHBondContact CD-OE1 3.23Å; K301-E303 VanDerWaalsContact CE-OE1 3.28Å; K301-E303 WeakPolarHBondContact CE-OE1 3.09Å; K301-E303 IonicContact NZ-OE1 2.73Å; K301-E303 PolarHBondContact NZ-OE1 3.46Å; K301-E303 IonicContact NZ-OE2 3.74Å
304E95.5Very high94.5Very high174 Ų17468.3 Ų68.381%0.81336%0.356SS*.PPolyproline II helixtrans-57.9162171.8-64.1-173.7167.600112.1G233 R306G233-E304 PolarHBondContact N-O 3.45Å; E304-R306 PolarHBondContact O-N 3.4Å
305R94Very high94.5Very high109 Ų10967.7 Ų67.741%0.41135%0.351SS..PPolyproline II helixtrans-57.1133.6174.8-63.8-174.7-172.2-166.810109.9D235 Y236D235-R305 VanDerWaalsContact C-NH2 3.33Å; D235-R305 VanDerWaalsContact CG-NE 3.31Å; D235-R305 PolarHBondContact O-NH2 2.9Å; D235-R305 IonicContact OD1-CZ 3.53Å; D235-R305 IonicContact OD1-NE 3.36Å; D235-R305 PolarHBondContact OD1-NE 2.92Å; D235-R305 IonicContact OD1-NH2 3.31Å; D235-R305 PolarHBondContact OD1-NH2 2.93Å; D235-R305 IonicContact OD2-CZ 2.64Å; D235-R305 IonicContact OD2-NE 2.83Å; D235-R305 PolarHBondContact OD2-NE 3.22Å; D235-R305 VanDerWaalsContact OD2-NE 3.15Å; D235-R305 IonicContact OD2-NH2 3.41Å; D235-R305 PolarHBondContact OD2-NH2 3.42Å; Y236-R305 HydrophobicContact CE1-CG 4.16Å; Y236-R305 HydrophobicContact CE2-CG 4.09Å; Y236-R305 WeakPolarHBondContact OH-CB 3.2Å
306R88.2Confident94.5Very high70 Ų7067 Ų6726%0.26433%0.331SS..PPolyproline II helixtrans-72.4130173-162.4-168.3-34.1-147.62.7109N212 F232 E304 G308 D309N212-R306 PolarHBondContact O-NH1 2.96Å; N212-R306 VanDerWaalsContact O-NH1 3.12Å; F232-R306 HydrophobicContact CB-CB 4.04Å; F232-R306 HydrophobicContact CD1-CB 4.4Å; F232-R306 VanDerWaalsContact CE2-NH2 3.35Å; F232-R306 HydrophobicContact CG-CB 4.22Å; E304-R306 PolarHBondContact O-N 3.4Å; R306-G308 PolarHBondContact O-N 2.99Å; R306-D309 HydrophobicContact CB-CB 4.48Å; R306-D309 WeakPolarHBondContact CB-OD2 3.39Å; R306-D309 IonicContact CZ-OD2 3.18Å; R306-D309 IonicContact NE-OD2 2.75Å; R306-D309 PolarHBondContact NE-OD2 3.41Å; R306-D309 VanDerWaalsContact NE-OD2 3.17Å; R306-D309 IonicContact NH2-OD2 2.8Å; R306-D309 PolarHBondContact O-N 2.99Å; R306-D309 VanDerWaalsContact O-N 3.16Å
307P85.7Confident94.6Very high99 Ų9965.9 Ų65.964%0.64333%0.326SS*.THydrogen-bonded Turntrans-53.7128.3176.4-28.135.6000112.1
308G83.3Confident94.6Very high26 Ų2661.8 Ų61.827%0.26832%0.316SS..THydrogen-bonded Turntrans91.5-10.6178.300000115.9T160 R306T160-G308 PolarHBondContact OG1-O 3.2Å; T160-G308 VanDerWaalsContact OG1-O 3.11Å; R306-G308 PolarHBondContact O-N 2.99Å
309D88Confident94.6Very high48 Ų4863.9 Ų63.926%0.25733%0.326SS..  trans-69.5134.3174-82.9-16.9000111R245 R306R245-D309 IonicContact NH2-OD1 2.97Å; R306-D309 HydrophobicContact CB-CB 4.48Å; R306-D309 WeakPolarHBondContact CB-OD2 3.39Å; R306-D309 IonicContact CZ-OD2 3.18Å; R306-D309 IonicContact NE-OD2 2.75Å; R306-D309 PolarHBondContact NE-OD2 3.41Å; R306-D309 VanDerWaalsContact NE-OD2 3.17Å; R306-D309 IonicContact NH2-OD2 2.8Å; R306-D309 PolarHBondContact O-N 2.99Å; R306-D309 VanDerWaalsContact O-N 3.16Å
310L90Very high94.6Very high32 Ų3257.9 Ų57.917%0.16830%0.299CS..  trans-95.1154.4176.4-62.3172.1000110.9G142 P143 R245 V313G142-L310 WeakPolarHBondContact O-CD1 3.39Å; P143-L310 HydrophobicContact CB-CD2 4.07Å; P143-L310 HydrophobicContact CG-CD2 3.92Å; R245-L310 VanDerWaalsContact CZ-O 3.22Å; R245-L310 PolarHBondContact NH1-O 3.46Å; R245-L310 PolarHBondContact NH2-O 2.92Å; L310-V313 HydrophobicContact CB-CG2 3.9Å; L310-V313 HydrophobicContact CD1-CG2 3.92Å
311P93.3Very high94.6Very high54 Ų5459.3 Ų59.335%0.35130%0.304SS..SBendtrans-59.3-58.6177.8-21.430.9000112.6Y236 T238 G243 V244 R245Y236-P311 HydrophobicContact CD1-CB 4.01Å; Y236-P311 HydrophobicContact CD1-CG 3.93Å; Y236-P311 HydrophobicContact CG-CB 4.46Å; T238-P311 HydrophobicContact CG2-CB 4.12Å; G243-P311 CarbonylContact C-O 3.55Å; G243-P311 WeakPolarHBondContact CA-O 3.34Å; V244-P311 PolarHBondContact N-O 3.15Å; R245-P311 PolarHBondContact NH1-O 3.19Å
312S95.9Very high94.6Very high28 Ų2861.7 Ų61.720%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-137.5131.7-173.6-64.30000111.6V244V244-S312 WeakPolarHBondContact O-CA 3.36Å
313V96.3Very high94.7Very high13 Ų1359 Ų598%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-144.5110.6178.1-177.90000109.9A138 I149 F192 V244 R245 D246 L310A138-V313 HydrophobicContact CB-CG1 4.17Å; I149-V313 HydrophobicContact CD1-CG1 4.04Å; F192-V313 HydrophobicContact CD1-CG1 4.01Å; F192-V313 HydrophobicContact CE1-CG1 3.7Å; V244-V313 PolarHBondContact O-N 2.85Å; R245-V313 CarbonylContact C-O 3.51Å; R245-V313 WeakPolarHBondContact CA-O 3.24Å; D246-V313 PolarHBondContact N-O 3.49Å; L310-V313 HydrophobicContact CB-CG2 3.9Å; L310-V313 HydrophobicContact CD1-CG2 3.92Å
314Y97.8Very high94.8Very high63 Ų6356 Ų5625%0.24729%0.293CS..  trans-150.8152.9174.557.4-91.1000112L147 P148 I149 F192L147-Y314 HydrophobicContact CB-CE1 4Å; L147-Y314 HydrophobicContact CB-CE2 4.01Å; L147-Y314 WeakPolarHBondContact CB-OH 3.4Å; L147-Y314 HydrophobicContact CD1-CD1 4.41Å; L147-Y314 HydrophobicContact CD1-CE1 3.76Å; L147-Y314 HydrophobicContact CD2-CD1 4.11Å; L147-Y314 HydrophobicContact CD2-CE1 4.09Å; L147-Y314 HydrophobicContact CD2-CG 4.42Å; L147-Y314 HydrophobicContact CG-CE1 4.18Å; P148-Y314 HydrophobicContact CB-CD2 3.81Å; P148-Y314 HydrophobicContact CB-CE2 3.79Å; I149-Y314 PolarHBondContact N-O 3.38Å; F192-Y314 VanDerWaalsContact CE1-C 3.46Å
315C98.2Very high94.9Very high1 Ų155.5 Ų55.51%0.00729%0.29CS..BIsolated β-bridgetrans-97.8164.1-169.664.30000115.2P148 I149 F192 D246 N274 G276 G278P148-C315 VanDerWaalsContact CB-C 3.44Å; P148-C315 WeakPolarHBondContact CB-O 3.48Å; I149-C315 CarbonylContact O-C 3.59Å; I149-C315 VanDerWaalsContact O-CA 3.32Å; I149-C315 WeakPolarHBondContact O-CA 3.48Å; F192-C315 HydrophobicContact CD1-CB 4.45Å; F192-C315 HydrophobicContact CD2-CB 3.95Å; F192-C315 HydrophobicContact CE1-CB 3.89Å; F192-C315 HydrophobicContact CE2-CB 3.4Å; F192-C315 HydrophobicContact CG-CB 4.5Å; F192-C315 HydrophobicContact CZ-CB 3.37Å; D246-C315 PolarHBondContact OD2-N 3.36Å; D246-C315 PolarHBondContact OD2-SG 3.42Å; N274-C315 HydrophobicContact CB-CB 3.81Å; G276-C315 WeakPolarHBondContact CA-SG 3.33Å; G278-C315 WeakPolarHBondContact CA-O 2.82Å
316D98.4Very high95.1Very high55 Ų5550.9 Ų50.929%0.29427%0.273SS..  trans-93.6122146.6-179.92.6000106.9P148 I149 N274 S318P148-D316 HydrophobicContact CB-CB 4.18Å; P148-D316 HydrophobicContact CG-CB 4.21Å; I149-D316 PolarHBondContact O-N 3.19Å; N274-D316 PolarHBondContact ND2-O 3.18Å; D316-S318 WeakPolarHBondContact OD1-CB 3.45Å; D316-S318 PolarHBondContact OD1-N 3.07Å; D316-S318 PolarHBondContact OD1-OG 2.94Å
317A98.1Very high95.6Very high17 Ų1753.2 Ų53.214%0.1429%0.285CS..  trans-106.411.9178.700000112.6L319 A320 E321 W326A317-L319 PolarHBondContact O-N 3.5Å; A317-A320 PolarHBondContact O-N 3.14Å; A317-A320 VanDerWaalsContact O-N 3.09Å; A317-E321 PolarHBondContact O-N 3.48Å; A317-E321 VanDerWaalsContact O-N 3.12Å; A317-W326 HydrophobicContact CB-CZ3 4.46Å
318S98.3Very high96.2Very high61 Ų6149.4 Ų49.443%0.42726%0.262SS..Hα-helixtrans-60.1-31.7-175.9-58.30000112.8D316 E321 M322D316-S318 WeakPolarHBondContact OD1-CB 3.45Å; D316-S318 PolarHBondContact OD1-N 3.07Å; D316-S318 PolarHBondContact OD1-OG 2.94Å; S318-E321 PolarHBondContact O-N 2.89Å; S318-M322 WeakPolarHBondContact O-CB 3.09Å; S318-M322 PolarHBondContact O-N 3.12Å
319L98.4Very high96.9Very high46 Ų4655 Ų5524%0.24128%0.281CS..Hα-helixtrans-66-41.4176.8-174.363.1000111.6E151 I272 Y273 A317 M322 E323E151-L319 HydrophobicContact CB-CD2 4.35Å; E151-L319 HydrophobicContact CG-CD2 4.08Å; I272-L319 WeakPolarHBondContact O-CD2 3.49Å; Y273-L319 HydrophobicContact CD1-CB 4.49Å; Y273-L319 HydrophobicContact CD1-CD2 4.07Å; Y273-L319 HydrophobicContact CD1-CG 3.88Å; Y273-L319 HydrophobicContact CE1-CD2 4.22Å; Y273-L319 HydrophobicContact CE1-CG 3.9Å; A317-L319 PolarHBondContact O-N 3.5Å; L319-M322 HydrophobicContact CD1-CE 4.02Å; L319-M322 PolarHBondContact O-N 2.86Å; L319-E323 HydrophobicContact CD1-CG 3.99Å; L319-E323 WeakPolarHBondContact O-CB 3.13Å; L319-E323 PolarHBondContact O-N 2.83Å
320A98.5Very high97.4Very high0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-66.6-39.1175.100000111.6Y273 L275 A317 L324 Q325 W326Y273-A320 HydrophobicContact CD1-CB 4.35Å; L275-A320 HydrophobicContact CD2-CB 3.99Å; A317-A320 PolarHBondContact O-N 3.14Å; A317-A320 VanDerWaalsContact O-N 3.09Å; A320-L324 HydrophobicContact CB-CD1 4.31Å; A320-L324 CarbonylContact O-C 3.58Å; A320-L324 WeakPolarHBondContact O-CA 3.48Å; A320-L324 WeakPolarHBondContact O-CB 3.34Å; A320-L324 PolarHBondContact O-N 3.45Å; A320-Q325 PolarHBondContact O-N 2.75Å; A320-W326 CarbonylContact C-O 3.31Å; A320-W326 HydrophobicContact CB-CE3 3.7Å; A320-W326 HydrophobicContact CB-CZ3 4.2Å; A320-W326 PolarHBondContact O-N 3.37Å
321E98.3Very high97.8Very high86 Ų8658.7 Ų58.740%0.40230%0.297SS..Hα-helixtrans-60.6-47.5174.6-175166.9-170.900111.5A317 S318 Q325 W326 K327A317-E321 PolarHBondContact O-N 3.48Å; A317-E321 VanDerWaalsContact O-N 3.12Å; S318-E321 PolarHBondContact O-N 2.89Å; E321-Q325 VanDerWaalsContact O-CA 3.25Å; E321-Q325 WeakPolarHBondContact O-CA 3.45Å; E321-Q325 PolarHBondContact O-N 2.95Å; E321-W326 WeakPolarHBondContact CA-O 3.38Å; E321-W326 PolarHBondContact N-O 2.81Å; E321-W326 VanDerWaalsContact N-O 3.15Å; E321-K327 HydrophobicContact CG-CB 4.44Å; E321-K327 IonicContact OE1-NZ 3.36Å; E321-K327 PolarHBondContact OE1-NZ 3.5Å; E321-K327 IonicContact OE2-NZ 2.94Å; E321-K327 PolarHBondContact OE2-NZ 2.87Å
322M98.2Very high98Very high139 Ų13956.5 Ų56.569%0.68528%0.282SS*.Hα-helixtrans-69.7-51.4-179.5175.3175.92900113.1S318 L319S318-M322 WeakPolarHBondContact O-CB 3.09Å; S318-M322 PolarHBondContact O-N 3.12Å; L319-M322 HydrophobicContact CD1-CE 4.02Å; L319-M322 PolarHBondContact O-N 2.86Å
323E98.2Very high98.2Very high53 Ų5361.5 Ų61.525%0.24830%0.297CS..Hα-helixtrans-88.7-35.3-170.2-77.6-150-147.200113.4K263 K271 Y273 L319K263-E323 WeakPolarHBondContact CE-O 3.42Å; K263-E323 PolarHBondContact NZ-O 2.75Å; K263-E323 IonicContact NZ-OE2 2.73Å; K263-E323 PolarHBondContact NZ-OE2 3.21Å; K271-E323 IonicContact NZ-OE1 3.95Å; K271-E323 PolarHBondContact NZ-OE1 3.32Å; K271-E323 IonicContact NZ-OE2 2.96Å; K271-E323 PolarHBondContact NZ-OE2 2.99Å; Y273-E323 HydrophobicContact CE1-CB 3.76Å; Y273-E323 HydrophobicContact CE1-CG 4.4Å; Y273-E323 PolarHBondContact OH-OE2 2.93Å; Y273-E323 VanDerWaalsContact OH-OE2 3.05Å; L319-E323 HydrophobicContact CD1-CG 3.99Å; L319-E323 WeakPolarHBondContact O-CB 3.13Å; L319-E323 PolarHBondContact O-N 2.83Å
324L97.7Very high98.3Very high2 Ų263.5 Ų63.51%0.0131%0.305CS..Hα-helixtrans-97.4-9.6-178.8-53.9-176.9000112.6A259 R262 K263 Y273 A320 W326A259-L324 HydrophobicContact CB-CB 4.33Å; R262-L324 PolarHBondContact NH2-O 3.37Å; K263-L324 HydrophobicContact CD-CD2 4.41Å; K263-L324 HydrophobicContact CG-CD2 3.45Å; K263-L324 VanDerWaalsContact CG-CD2 3.45Å; Y273-L324 HydrophobicContact CD1-CD1 4.21Å; Y273-L324 HydrophobicContact CD1-CG 4.24Å; Y273-L324 HydrophobicContact CD2-CD1 3.81Å; Y273-L324 HydrophobicContact CD2-CD2 4.35Å; Y273-L324 HydrophobicContact CD2-CG 4.31Å; Y273-L324 HydrophobicContact CE1-CD1 4.47Å; Y273-L324 HydrophobicContact CE1-CD2 4.28Å; Y273-L324 HydrophobicContact CE1-CG 4.07Å; Y273-L324 HydrophobicContact CE2-CD1 4.09Å; Y273-L324 HydrophobicContact CE2-CD2 3.76Å; Y273-L324 HydrophobicContact CE2-CG 4.12Å; Y273-L324 HydrophobicContact CG-CD1 3.86Å; Y273-L324 HydrophobicContact CG-CG 4.35Å; A320-L324 HydrophobicContact CB-CD1 4.31Å; A320-L324 CarbonylContact O-C 3.58Å; A320-L324 WeakPolarHBondContact O-CA 3.48Å; A320-L324 WeakPolarHBondContact O-CB 3.34Å; A320-L324 PolarHBondContact O-N 3.45Å; L324-W326 HydrophobicContact CB-CB 3.98Å; L324-W326 PolarHBondContact O-N 3.32Å
325Q97.9Very high98.3Very high163 Ų16360.5 Ų60.576%0.76229%0.294SS*.  trans54.638.2-168.5-57.6176.4-19.300111.1A320 E321A320-Q325 PolarHBondContact O-N 2.75Å; E321-Q325 VanDerWaalsContact O-CA 3.25Å; E321-Q325 WeakPolarHBondContact O-CA 3.45Å; E321-Q325 PolarHBondContact O-N 2.95Å
326W98.4Very high98.3Very high12 Ų1260.5 Ų60.55%0.04529%0.293CS..  trans-120.8132.7-177.6174.688.4000110.5D252 G256 A259 L275 A317 A320 E321 L324 A328D252-W326 HydrophobicContact CB-CZ2 4.24Å; D252-W326 PolarHBondContact O-NE1 2.96Å; G256-W326 VanDerWaalsContact N-CD1 3.33Å; G256-W326 VanDerWaalsContact N-NE1 3.16Å; A259-W326 HydrophobicContact CB-CB 4.29Å; L275-W326 HydrophobicContact CB-CH2 3.86Å; L275-W326 HydrophobicContact CB-CZ2 4.42Å; L275-W326 HydrophobicContact CB-CZ3 4.19Å; L275-W326 HydrophobicContact CD2-CD2 4.19Å; L275-W326 HydrophobicContact CD2-CE3 3.71Å; L275-W326 HydrophobicContact CD2-CH2 4.05Å; L275-W326 HydrophobicContact CD2-CZ2 4.48Å; L275-W326 HydrophobicContact CD2-CZ3 3.64Å; L275-W326 HydrophobicContact CG-CH2 4.48Å; L275-W326 HydrophobicContact CG-CZ3 4.49Å; A317-W326 HydrophobicContact CB-CZ3 4.46Å; A320-W326 CarbonylContact C-O 3.31Å; A320-W326 HydrophobicContact CB-CE3 3.7Å; A320-W326 HydrophobicContact CB-CZ3 4.2Å; A320-W326 PolarHBondContact O-N 3.37Å; E321-W326 WeakPolarHBondContact CA-O 3.38Å; E321-W326 PolarHBondContact N-O 2.81Å; E321-W326 VanDerWaalsContact N-O 3.15Å; L324-W326 HydrophobicContact CB-CB 3.98Å; L324-W326 PolarHBondContact O-N 3.32Å; W326-A328 HydrophobicContact CH2-CB 4.29Å; W326-A328 HydrophobicContact CZ2-CB 4.37Å
327K98.4Very high98.4Very high120 Ų12060 Ų6052%0.52229%0.291SS..  trans-143.5140.1171.6-170.4-172.4-163.6120.10107.8E321 Q329E321-K327 HydrophobicContact CG-CB 4.44Å; E321-K327 IonicContact OE1-NZ 3.36Å; E321-K327 PolarHBondContact OE1-NZ 3.5Å; E321-K327 IonicContact OE2-NZ 2.94Å; E321-K327 PolarHBondContact OE2-NZ 2.87Å; K327-Q329 WeakPolarHBondContact O-CG 3.45Å; K327-Q329 PolarHBondContact O-N 3.18Å
328A98.4Very high98.4Very high18 Ų1859.5 Ų59.515%0.14929%0.285CS..  trans-60129.917100000110.2V248 D252 T277 W326V248-A328 HydrophobicContact CG2-CB 4.2Å; D252-A328 HydrophobicContact CB-CB 4.2Å; T277-A328 HydrophobicContact CG2-CB 3.79Å; W326-A328 HydrophobicContact CH2-CB 4.29Å; W326-A328 HydrophobicContact CZ2-CB 4.37Å
329Q98.2Very high98.4Very high145 Ų14557 Ų5768%0.67827%0.267SS*.  trans-104.9-27.9-174.4-59.4-172.2-48.100112.1D252 K327D252-Q329 VanDerWaalsContact CG-N 3.28Å; D252-Q329 PolarHBondContact OD1-N 2.75Å; D252-Q329 PolarHBondContact OD2-N 2.94Å; K327-Q329 WeakPolarHBondContact O-CG 3.45Å; K327-Q329 PolarHBondContact O-N 3.18Å
330Y98.4Very high98.4Very high58 Ų5857.2 Ų57.223%0.22727%0.265CS..  trans-90.2133.8-177.2-62.2-60.8000111.1H249 V251 D252 Q334 M335H249-Y330 HydrophobicContact CB-CD2 3.85Å; H249-Y330 HydrophobicContact CB-CG 4.19Å; H249-Y330 AromaticContact CG-CD2 3.61Å; H249-Y330 AromaticContact CG-CG 3.99Å; H249-Y330 AromaticContact ND1-CD2 3.59Å; V251-Y330 HydrophobicContact CB-CE2 4.13Å; V251-Y330 HydrophobicContact CG1-CE2 4.08Å; D252-Y330 WeakPolarHBondContact OD1-CD2 3.32Å; D252-Y330 WeakPolarHBondContact OD2-CD2 3.31Å; D252-Y330 PolarHBondContact OD2-N 3.08Å; Y330-Q334 HydrophobicContact CD1-CB 4.17Å; Y330-Q334 HydrophobicContact CD1-CG 3.49Å; Y330-Q334 VanDerWaalsContact CD1-CG 3.49Å; Y330-Q334 HydrophobicContact CE1-CG 4.08Å; Y330-Q334 HydrophobicContact CG-CG 4.1Å; Y330-M335 WeakPolarHBondContact O-CE 3.34Å
331D98.4Very high98.4Very high98 Ų9859.1 Ų59.152%0.52428%0.275SS..  trans-85.5175.1175.269.810.7000112R333 Q334 M335D331-R333 PolarHBondContact O-N 2.87Å; D331-R333 WeakPolarHBondContact OD1-CA 3.33Å; D331-R333 WeakPolarHBondContact OD1-CB 3.4Å; D331-R333 PolarHBondContact OD1-N 3.33Å; D331-Q334 PolarHBondContact O-N 2.79Å; D331-Q334 PolarHBondContact OD1-N 3.47Å; D331-M335 WeakPolarHBondContact O-CG 3.33Å; D331-M335 PolarHBondContact O-N 2.94Å; D331-M335 VanDerWaalsContact O-N 3.08Å
332L98.5Very high98.4Very high8 Ų855.4 Ų55.44%0.04226%0.257CS..Hα-helixtrans-57.5-33.8178.518064.5000112.3F281 V286 M289 M335 C336F281-L332 HydrophobicContact CB-CD2 4.3Å; F281-L332 HydrophobicContact CD1-CD2 3.63Å; F281-L332 HydrophobicContact CD2-CB 4.46Å; F281-L332 HydrophobicContact CD2-CD2 4.24Å; F281-L332 HydrophobicContact CE1-CB 4.36Å; F281-L332 HydrophobicContact CE1-CD2 3.92Å; F281-L332 HydrophobicContact CE2-CB 4.07Å; F281-L332 HydrophobicContact CG-CD2 3.8Å; F281-L332 HydrophobicContact CZ-CB 4.01Å; F281-L332 HydrophobicContact CZ-CD2 4.35Å; V286-L332 HydrophobicContact CG2-CD1 4.13Å; V286-L332 HydrophobicContact CG2-CD2 4.45Å; M289-L332 HydrophobicContact CB-CD2 4.02Å; M289-L332 HydrophobicContact CB-CG 4.27Å; M289-L332 HydrophobicContact CG-CD2 4.28Å; M289-L332 HydrophobicContact CG-CG 4.07Å; L332-M335 HydrophobicContact CD1-SD 4.44Å; L332-M335 WeakPolarHBondContact O-CB 3.12Å; L332-M335 PolarHBondContact O-N 3.08Å; L332-C336 PolarHBondContact O-N 3.01Å; L332-C336 PolarHBondContact O-SG 3.01Å; L332-C336 VanDerWaalsContact O-SG 3.34Å
333R98.7Very high98.3Very high133 Ų13349.5 Ų49.550%0.50223%0.228SC..Hα-helixtrans-65.9-46.5-179.6-172.4180-175.3-81.7-5.9110.4M289 V293 D331 M335 C336 I337M289-R333 HydrophobicContact CE-CB 4.22Å; M289-R333 HydrophobicContact CG-CB 4.44Å; M289-R333 HydrophobicContact SD-CB 3.76Å; M289-R333 HydrophobicContact SD-CG 3.77Å; V293-R333 HydrophobicContact CG2-CG 4.13Å; D331-R333 PolarHBondContact O-N 2.87Å; D331-R333 WeakPolarHBondContact OD1-CA 3.33Å; D331-R333 WeakPolarHBondContact OD1-CB 3.4Å; D331-R333 PolarHBondContact OD1-N 3.33Å; R333-M335 VanDerWaalsContact C-N 3.34Å; R333-C336 PolarHBondContact O-N 3.41Å; R333-I337 HydrophobicContact CG-CD1 4.31Å; R333-I337 WeakPolarHBondContact O-CG1 3.5Å; R333-I337 PolarHBondContact O-N 3.24Å
334Q98.7Very high98.2Very high55 Ų5550.4 Ų50.426%0.25724%0.237SC..Hα-helixtrans-64.2-39.6177.3-171.260.742.900111.7Y330 D331 C336 I337 D338Y330-Q334 HydrophobicContact CD1-CB 4.17Å; Y330-Q334 HydrophobicContact CD1-CG 3.49Å; Y330-Q334 VanDerWaalsContact CD1-CG 3.49Å; Y330-Q334 HydrophobicContact CE1-CG 4.08Å; Y330-Q334 HydrophobicContact CG-CG 4.1Å; D331-Q334 PolarHBondContact O-N 2.79Å; D331-Q334 PolarHBondContact OD1-N 3.47Å; Q334-C336 VanDerWaalsContact C-N 3.31Å; Q334-C336 PolarHBondContact O-N 3.11Å; Q334-I337 PolarHBondContact O-N 2.78Å; Q334-I337 VanDerWaalsContact O-N 3.12Å; Q334-D338 PolarHBondContact NE2-OD1 2.9Å; Q334-D338 PolarHBondContact NE2-OD2 2.72Å; Q334-D338 PolarHBondContact O-N 2.89Å
335M98.7Very high98.1Very high1 Ų155.7 Ų55.71%0.00526%0.26CS..Hα-helixtrans-54.9-45.5172-63.7167.8-153.700112V195 G196 Y247 H249 T277 Y330 D331 L332 R333 T339V195-M335 HydrophobicContact CG2-CB 3.82Å; V195-M335 HydrophobicContact CG2-CG 3.77Å; V195-M335 HydrophobicContact CG2-SD 3.38Å; V195-M335 WeakPolarHBondContact CG2-SD 3.3Å; G196-M335 WeakPolarHBondContact CA-O 3.49Å; Y247-M335 VanDerWaalsContact O-CE 3.23Å; Y247-M335 WeakPolarHBondContact O-CE 3.43Å; H249-M335 HydrophobicContact CB-CE 4.23Å; H249-M335 HydrophobicContact CB-CG 3.89Å; T277-M335 HydrophobicContact CG2-CE 4.08Å; Y330-M335 WeakPolarHBondContact O-CE 3.34Å; D331-M335 WeakPolarHBondContact O-CG 3.33Å; D331-M335 PolarHBondContact O-N 2.94Å; D331-M335 VanDerWaalsContact O-N 3.08Å; L332-M335 HydrophobicContact CD1-SD 4.44Å; L332-M335 WeakPolarHBondContact O-CB 3.12Å; L332-M335 PolarHBondContact O-N 3.08Å; R333-M335 VanDerWaalsContact C-N 3.34Å; M335-T339 WeakPolarHBondContact O-CB 3.5Å; M335-T339 PolarHBondContact O-N 2.89Å; M335-T339 VanDerWaalsContact O-N 3.08Å; M335-T339 PolarHBondContact O-OG1 3.34Å
336C98.6Very high97.9Very high0 Ų048.3 Ų48.30%023%0.227CC..Hα-helixtrans-66.1-39.9176-66.20000112.6M289 F290 V293 L332 R333 Q334 W340M289-C336 HydrophobicContact CG-CB 4.31Å; F290-C336 HydrophobicContact CD2-CB 3.87Å; F290-C336 HydrophobicContact CE2-CB 4.4Å; F290-C336 HydrophobicContact CG-CB 4.5Å; V293-C336 HydrophobicContact CB-CB 4.18Å; V293-C336 HydrophobicContact CG1-CB 4.36Å; V293-C336 HydrophobicContact CG2-CB 3.91Å; L332-C336 PolarHBondContact O-N 3.01Å; L332-C336 PolarHBondContact O-SG 3.01Å; L332-C336 VanDerWaalsContact O-SG 3.34Å; R333-C336 PolarHBondContact O-N 3.41Å; Q334-C336 VanDerWaalsContact C-N 3.31Å; Q334-C336 PolarHBondContact O-N 3.11Å; C336-W340 VanDerWaalsContact O-CB 3.27Å; C336-W340 WeakPolarHBondContact O-CB 3.23Å; C336-W340 PolarHBondContact O-N 2.85Å
337I98.8Very high97.6Very high46 Ų4651.1 Ų51.124%0.23625%0.247CC..Hα-helixtrans-59.5-51.6177.4-70.3166.7000110.6V293 R333 Q334 W340 N341V293-I337 HydrophobicContact CG1-CB 4.35Å; V293-I337 HydrophobicContact CG1-CG1 3.78Å; V293-I337 HydrophobicContact CG2-CG1 4.01Å; R333-I337 HydrophobicContact CG-CD1 4.31Å; R333-I337 WeakPolarHBondContact O-CG1 3.5Å; R333-I337 PolarHBondContact O-N 3.24Å; Q334-I337 PolarHBondContact O-N 2.78Å; Q334-I337 VanDerWaalsContact O-N 3.12Å; I337-W340 PolarHBondContact O-N 3.28Å; I337-N341 WeakPolarHBondContact O-CB 3.48Å; I337-N341 PolarHBondContact O-N 3.17Å
338D98.7Very high97.1Very high5 Ų551.2 Ų51.23%0.02725%0.247CC..Hα-helixtrans-70.8-38.8-174.4-69.2-27.7000111.3A197 H249 Q334 W340 N341 W342A197-D338 HydrophobicContact CB-CB 4.4Å; A197-D338 WeakPolarHBondContact CB-O 3.39Å; H249-D338 IonicContact CE1-OD2 2.59Å; H249-D338 IonicContact NE2-OD2 3.44Å; H249-D338 PolarHBondContact NE2-OD2 3.46Å; Q334-D338 PolarHBondContact NE2-OD1 2.9Å; Q334-D338 PolarHBondContact NE2-OD2 2.72Å; Q334-D338 PolarHBondContact O-N 2.89Å; D338-W340 VanDerWaalsContact C-N 3.34Å; D338-W340 PolarHBondContact O-N 3.31Å; D338-N341 PolarHBondContact O-N 3.19Å; D338-W342 WeakPolarHBondContact O-CB 3.37Å; D338-W342 PolarHBondContact O-N 3.36Å
339T98.5Very high96.8Very high8 Ų850.9 Ų50.95%0.04925%0.245CC..Hα-helixtrans-59.4-43.9170.2-670000111.8G196 M215 F290 M335 W342 Q343G196-T339 WeakPolarHBondContact CA-OG1 3.35Å; G196-T339 PolarHBondContact N-OG1 3.38Å; G196-T339 PolarHBondContact O-OG1 3.06Å; M215-T339 HydrophobicContact CG-CG2 3.93Å; M215-T339 HydrophobicContact SD-CG2 4.45Å; F290-T339 HydrophobicContact CE2-CG2 3.75Å; F290-T339 HydrophobicContact CZ-CG2 4.08Å; M335-T339 WeakPolarHBondContact O-CB 3.5Å; M335-T339 PolarHBondContact O-N 2.89Å; M335-T339 VanDerWaalsContact O-N 3.08Å; M335-T339 PolarHBondContact O-OG1 3.34Å; T339-W342 PolarHBondContact O-N 2.83Å; T339-Q343 WeakPolarHBondContact O-CB 3.3Å; T339-Q343 PolarHBondContact O-N 3.26Å
340W98.3Very high96.6Very high51 Ų5145 Ų4519%0.19322%0.217CC..Hα-helixtrans-68.2-39.2-179.9-174.6-123.7000112.3A222 A223 F290 V293 C336 I337 D338 W342 Q343 T344A222-W340 HydrophobicContact CB-CE3 4.42Å; A222-W340 HydrophobicContact CB-CH2 4.31Å; A222-W340 HydrophobicContact CB-CZ3 3.84Å; A223-W340 HydrophobicContact CB-CH2 4.24Å; A223-W340 HydrophobicContact CB-CZ3 3.98Å; F290-W340 HydrophobicContact CE1-CB 4.4Å; F290-W340 HydrophobicContact CE1-CD2 4.24Å; F290-W340 AromaticContact CE1-CE3 3.68Å; F290-W340 HydrophobicContact CE1-CE3 3.68Å; F290-W340 HydrophobicContact CE1-CZ3 4.33Å; F290-W340 HydrophobicContact CZ-CB 3.98Å; F290-W340 HydrophobicContact CZ-CD2 4.48Å; F290-W340 AromaticContact CZ-CE3 3.91Å; F290-W340 HydrophobicContact CZ-CE3 3.91Å; V293-W340 HydrophobicContact CG1-CB 4.27Å; C336-W340 VanDerWaalsContact O-CB 3.27Å; C336-W340 WeakPolarHBondContact O-CB 3.23Å; C336-W340 PolarHBondContact O-N 2.85Å; I337-W340 PolarHBondContact O-N 3.28Å; D338-W340 VanDerWaalsContact C-N 3.34Å; D338-W340 PolarHBondContact O-N 3.31Å; W340-W342 PolarHBondContact O-N 2.73Å; W340-Q343 HydrophobicContact CE3-CB 4.31Å; W340-Q343 HydrophobicContact CE3-CG 4.39Å; W340-Q343 HydrophobicContact CZ3-CG 4.25Å; W340-Q343 PolarHBondContact O-N 3.16Å; W340-T344 HydrophobicContact CD2-CG2 3.7Å; W340-T344 HydrophobicContact CE3-CG2 4.11Å; W340-T344 HydrophobicContact CG-CG2 4.27Å; W340-T344 HydrophobicContact CH2-CG2 3.94Å; W340-T344 HydrophobicContact CZ2-CG2 3.49Å; W340-T344 VanDerWaalsContact CZ2-CG2 3.49Å; W340-T344 HydrophobicContact CZ3-CG2 4.23Å; W340-T344 WeakPolarHBondContact O-CB 3.28Å; W340-T344 VanDerWaalsContact O-CG2 3.28Å; W340-T344 WeakPolarHBondContact O-CG2 3.4Å; W340-T344 PolarHBondContact O-N 2.89Å; W340-T344 PolarHBondContact O-OG1 3.21Å
341N98.4Very high96.1Very high41 Ų4146.8 Ų46.822%0.21922%0.223CC..Hα-helixtrans-60.3-44.5173.8-177.335.5000111.5P199 G201 I337 D338 T344 K345P199-N341 PolarHBondContact O-ND2 2.61Å; G201-N341 PolarHBondContact N-ND2 2.92Å; I337-N341 WeakPolarHBondContact O-CB 3.48Å; I337-N341 PolarHBondContact O-N 3.17Å; D338-N341 PolarHBondContact O-N 3.19Å; N341-T344 PolarHBondContact O-OG1 3.09Å; N341-T344 VanDerWaalsContact O-OG1 3.07Å; N341-K345 WeakPolarHBondContact O-CB 3.47Å; N341-K345 WeakPolarHBondContact O-CG 3.28Å; N341-K345 PolarHBondContact O-N 2.77Å; N341-K345 VanDerWaalsContact OD1-CE 3.24Å; N341-K345 WeakPolarHBondContact OD1-CE 3.39Å
342W98.1Very high94.6Very high7 Ų751.5 Ų51.53%0.02725%0.249CC..Hα-helixtrans-58.6-54.5172.2166.1-110.6000112.1A197 E202 I203 E205 D206 D338 T339 W340 T344 K345 S346 Y350A197-W342 HydrophobicContact CB-CB 3.55Å; A197-W342 HydrophobicContact CB-CG 4.12Å; E202-W342 WeakPolarHBondContact O-CZ3 3.35Å; I203-W342 VanDerWaalsContact C-CE3 3.44Å; E205-W342 PolarHBondContact O-NE1 3.28Å; E205-W342 VanDerWaalsContact O-NE1 3.16Å; D206-W342 HydrophobicContact CB-CZ2 4.4Å; D338-W342 WeakPolarHBondContact O-CB 3.37Å; D338-W342 PolarHBondContact O-N 3.36Å; T339-W342 PolarHBondContact O-N 2.83Å; W340-W342 PolarHBondContact O-N 2.73Å; W342-T344 VanDerWaalsContact C-N 3.3Å; W342-T344 PolarHBondContact O-N 2.87Å; W342-K345 PolarHBondContact O-N 2.81Å; W342-S346 WeakPolarHBondContact CH2-OG 3.28Å; W342-S346 VanDerWaalsContact CZ3-OG 3.23Å; W342-S346 WeakPolarHBondContact CZ3-OG 3.32Å; W342-S346 WeakPolarHBondContact O-CB 3.5Å; W342-S346 PolarHBondContact O-N 2.8Å; W342-Y350 AromaticContact CH2-CD1 3.64Å; W342-Y350 HydrophobicContact CH2-CD1 3.64Å; W342-Y350 AromaticContact CH2-CE1 3.16Å; W342-Y350 HydrophobicContact CH2-CE1 3.16Å; W342-Y350 HydrophobicContact CH2-CE2 4.18Å; W342-Y350 HydrophobicContact CH2-CG 4.32Å; W342-Y350 AromaticContact CH2-CZ 3.45Å; W342-Y350 VanDerWaalsContact CH2-CZ 3.45Å; W342-Y350 HydrophobicContact CZ2-CD1 4.24Å; W342-Y350 HydrophobicContact CZ2-CD2 4.43Å; W342-Y350 AromaticContact CZ2-CE1 3.83Å; W342-Y350 HydrophobicContact CZ2-CE1 3.83Å; W342-Y350 AromaticContact CZ2-CE2 3.99Å; W342-Y350 HydrophobicContact CZ2-CE2 3.99Å; W342-Y350 AromaticContact CZ2-CZ 3.66Å; W342-Y350 HydrophobicContact CZ3-CE1 4.01Å
343Q95.8Very high94.4Very high16 Ų1653.7 Ų53.78%0.07526%0.259CS..Hα-helixtrans-62.5-35.1-175.2-17864.682.300112.9S219 A223 T339 W340 S346 P347S219-Q343 PolarHBondContact OG-OE1 2.92Å; A223-Q343 HydrophobicContact CB-CG 4.02Å; T339-Q343 WeakPolarHBondContact O-CB 3.3Å; T339-Q343 PolarHBondContact O-N 3.26Å; W340-Q343 HydrophobicContact CE3-CB 4.31Å; W340-Q343 HydrophobicContact CE3-CG 4.39Å; W340-Q343 HydrophobicContact CZ3-CG 4.25Å; W340-Q343 PolarHBondContact O-N 3.16Å; Q343-S346 CarbonylContact O-C 3.36Å; Q343-P347 PolarHBondContact NE2-O 3.13Å; Q343-P347 VanDerWaalsContact O-CA 3.23Å; Q343-P347 WeakPolarHBondContact O-CA 3.49Å
344T96.4Very high94.2Very high71 Ų7149.5 Ų49.544%0.43625%0.246SC..Hα-helixtrans-75.2-36.8179.149.80000112.5W340 N341 W342W340-T344 HydrophobicContact CD2-CG2 3.7Å; W340-T344 HydrophobicContact CE3-CG2 4.11Å; W340-T344 HydrophobicContact CG-CG2 4.27Å; W340-T344 HydrophobicContact CH2-CG2 3.94Å; W340-T344 HydrophobicContact CZ2-CG2 3.49Å; W340-T344 VanDerWaalsContact CZ2-CG2 3.49Å; W340-T344 HydrophobicContact CZ3-CG2 4.23Å; W340-T344 WeakPolarHBondContact O-CB 3.28Å; W340-T344 VanDerWaalsContact O-CG2 3.28Å; W340-T344 WeakPolarHBondContact O-CG2 3.4Å; W340-T344 PolarHBondContact O-N 2.89Å; W340-T344 PolarHBondContact O-OG1 3.21Å; N341-T344 PolarHBondContact O-OG1 3.09Å; N341-T344 VanDerWaalsContact O-OG1 3.07Å; W342-T344 VanDerWaalsContact C-N 3.3Å; W342-T344 PolarHBondContact O-N 2.87Å
345K96.2Very high93.9Very high114 Ų11449.2 Ų49.250%0.49625%0.246SC..Hα-helixtrans-76.5-29.4174.9-70.5-175.3179.4-173.90113.5S200 N341 W342 P347S200-K345 PolarHBondContact O-NZ 2.88Å; N341-K345 WeakPolarHBondContact O-CB 3.47Å; N341-K345 WeakPolarHBondContact O-CG 3.28Å; N341-K345 PolarHBondContact O-N 2.77Å; N341-K345 VanDerWaalsContact OD1-CE 3.24Å; N341-K345 WeakPolarHBondContact OD1-CE 3.39Å; W342-K345 PolarHBondContact O-N 2.81Å; K345-P347 VanDerWaalsContact C-CD 3.48Å; K345-P347 WeakPolarHBondContact O-CD 3.5Å
346S94Very high93.7Very high8 Ų852.1 Ų52.16%0.05626%0.26CS..  trans-125.467-179-61.20000110.2R56 W342 Q343 K348 G349R56-S346 PolarHBondContact NH1-OG 3.41Å; R56-S346 VanDerWaalsContact NH1-OG 3.14Å; W342-S346 WeakPolarHBondContact CH2-OG 3.28Å; W342-S346 VanDerWaalsContact CZ3-OG 3.23Å; W342-S346 WeakPolarHBondContact CZ3-OG 3.32Å; W342-S346 WeakPolarHBondContact O-CB 3.5Å; W342-S346 PolarHBondContact O-N 2.8Å; Q343-S346 CarbonylContact O-C 3.36Å; S346-K348 PolarHBondContact O-N 3.39Å; S346-K348 VanDerWaalsContact O-N 3.17Å; S346-G349 WeakPolarHBondContact CB-O 3.32Å; S346-G349 PolarHBondContact O-N 3.32Å
347P91Very high93.3Very high71 Ų7155.3 Ų55.346%0.46128%0.276SS..THydrogen-bonded Turntrans-60.1-29.8-17423.1-33.8000113.6L225 Q343 K345L225-P347 VanDerWaalsContact CD1-O 3.24Å; L225-P347 WeakPolarHBondContact CD1-O 3.17Å; Q343-P347 PolarHBondContact NE2-O 3.13Å; Q343-P347 VanDerWaalsContact O-CA 3.23Å; Q343-P347 WeakPolarHBondContact O-CA 3.49Å; K345-P347 VanDerWaalsContact C-CD 3.48Å; K345-P347 WeakPolarHBondContact O-CD 3.5Å
348K88.9Confident93Very high121 Ų12155.9 Ų55.953%0.52628%0.279SS..THydrogen-bonded Turntrans-99.412.2175.4-63-178178.9-179.50113.5S346 R351 D352S346-K348 PolarHBondContact O-N 3.39Å; S346-K348 VanDerWaalsContact O-N 3.17Å; K348-R351 WeakPolarHBondContact CB-O 3.24Å; K348-D352 VanDerWaalsContact CD-O 3.29Å; K348-D352 WeakPolarHBondContact CD-O 3.33Å; K348-D352 WeakPolarHBondContact CD-OXT 3.35Å; K348-D352 PolarHBondContact NZ-O 3.48Å; K348-D352 PolarHBondContact NZ-OXT 3.17Å
349G92.3Very high92.6Very high11 Ų1159.6 Ų59.611%0.11330%0.297CS..THydrogen-bonded Turntrans70.8-139.4-170.300000111.4S346 R351S346-G349 WeakPolarHBondContact CB-O 3.32Å; S346-G349 PolarHBondContact O-N 3.32Å; G349-R351 VanDerWaalsContact C-N 3.28Å
350Y93.4Very high92.1Very high21 Ų2163.5 Ų63.58%0.08232%0.316CS..THydrogen-bonded Turntrans-83.50.3176.7-61-66000113.5V44 V52 I203 G204 D206 W342V44-Y350 HydrophobicContact CG2-CD2 4.44Å; V52-Y350 HydrophobicContact CB-CD1 4.02Å; V52-Y350 HydrophobicContact CB-CG 4.09Å; V52-Y350 HydrophobicContact CG1-CD1 3.59Å; V52-Y350 HydrophobicContact CG1-CE1 4.48Å; V52-Y350 HydrophobicContact CG1-CG 4.06Å; I203-Y350 WeakPolarHBondContact CA-OH 3.29Å; G204-Y350 PolarHBondContact N-OH 2.65Å; G204-Y350 PolarHBondContact O-OH 3.44Å; D206-Y350 HydrophobicContact CB-CD2 3.46Å; D206-Y350 VanDerWaalsContact CB-CD2 3.46Å; D206-Y350 HydrophobicContact CB-CE2 3.66Å; D206-Y350 HydrophobicContact CB-CG 4.44Å; D206-Y350 WeakPolarHBondContact OD2-CB 3.03Å; D206-Y350 WeakPolarHBondContact OD2-CD2 3.41Å; D206-Y350 PolarHBondContact OD2-N 3.37Å; W342-Y350 AromaticContact CH2-CD1 3.64Å; W342-Y350 HydrophobicContact CH2-CD1 3.64Å; W342-Y350 AromaticContact CH2-CE1 3.16Å; W342-Y350 HydrophobicContact CH2-CE1 3.16Å; W342-Y350 HydrophobicContact CH2-CE2 4.18Å; W342-Y350 HydrophobicContact CH2-CG 4.32Å; W342-Y350 AromaticContact CH2-CZ 3.45Å; W342-Y350 VanDerWaalsContact CH2-CZ 3.45Å; W342-Y350 HydrophobicContact CZ2-CD1 4.24Å; W342-Y350 HydrophobicContact CZ2-CD2 4.43Å; W342-Y350 AromaticContact CZ2-CE1 3.83Å; W342-Y350 HydrophobicContact CZ2-CE1 3.83Å; W342-Y350 AromaticContact CZ2-CE2 3.99Å; W342-Y350 HydrophobicContact CZ2-CE2 3.99Å; W342-Y350 AromaticContact CZ2-CZ 3.66Å; W342-Y350 HydrophobicContact CZ3-CE1 4.01Å
351R87.3Confident91.6Very high96 Ų9664.6 Ų64.636%0.36233%0.326SS..  trans-94151.5-179.5-59.6175.4-176.875.510.4111.4V44 D206 S208 K348 G349V44-R351 HydrophobicContact CG1-CG 4.27Å; V44-R351 HydrophobicContact CG2-CG 4.06Å; D206-R351 IonicContact OD1-NH1 3.24Å; D206-R351 PolarHBondContact OD1-NH1 2.67Å; D206-R351 VanDerWaalsContact OD1-NH1 3.11Å; D206-R351 IonicContact OD2-NH1 2.61Å; D206-R351 PolarHBondContact OD2-NH1 2.97Å; S208-R351 VanDerWaalsContact CA-NH2 3.28Å; S208-R351 PolarHBondContact OG-NH2 3Å; K348-R351 WeakPolarHBondContact CB-O 3.24Å; G349-R351 VanDerWaalsContact C-N 3.28Å
352D67.3Low91Very high198 Ų19866.7 Ų66.7100%1.05934%0.336SS*.  trans-720-178.7-68.7-33.9000116K348K348-D352 VanDerWaalsContact CD-O 3.29Å; K348-D352 WeakPolarHBondContact CD-O 3.33Å; K348-D352 WeakPolarHBondContact CD-OXT 3.35Å; K348-D352 PolarHBondContact NZ-O 3.48Å; K348-D352 PolarHBondContact NZ-OXT 3.17Å

Retrieved 352 of 352 residues in 266.7 ms (Link to these results)

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