A0A024R324_HUMAN Loading...

Epididymis secretory sperm binding protein

AlphaFold DB (P61585), UniProt , Accession A0A024R324, Species HUMAN (Homo sapiens, Human), Gene RHOA, Length 193 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
1M49.4Very low87.9Confident240 Ų24061.3 Ų61.3100%1.18233%0.334SS*.  0144.90-78.3-178-154.200107.8A3M1-A3 PolarHBondContact O-N 3.33Å
2A59.2Low88.8Confident100 Ų10056.2 Ų56.283%0.82631%0.306SS*.PPolyproline II helixtrans-62.7130.8170.200000108.8
3A76.3Confident89.5Confident63 Ų6353.5 Ų53.552%0.52129%0.292SS..PPolyproline II helixtrans-57.6140.4171.900000108.9M1 R5M1-A3 PolarHBondContact O-N 3.33Å; A3-R5 PolarHBondContact O-N 2.99Å; A3-R5 VanDerWaalsContact O-N 3.13Å
4I94.2Very high90Very high71 Ų7152.1 Ų52.136%0.36430%0.296SS..EExtended strand (participates in β ladder)trans-64.9118171.4-62.6170.9000105.8K6 K51 V53 E54 L179I4-K6 HydrophobicContact CG2-CG 4.34Å; I4-K51 HydrophobicContact CD1-CB 4.3Å; I4-K51 HydrophobicContact CD1-CD 4.25Å; I4-K51 HydrophobicContact CD1-CG 4.48Å; I4-V53 HydrophobicContact CB-CG2 4.32Å; I4-V53 HydrophobicContact CG2-CG2 4.33Å; I4-V53 CarbonylContact O-C 3.59Å; I4-V53 VanDerWaalsContact O-CA 3.24Å; I4-V53 WeakPolarHBondContact O-CA 3.19Å; I4-V53 WeakPolarHBondContact O-CG1 3.22Å; I4-E54 PolarHBondContact O-N 3.27Å; I4-L179 HydrophobicContact CD1-CD2 4.41Å; I4-L179 HydrophobicContact CG2-CD2 3.81Å
5R96.6Very high90.4Very high152 Ų15252.1 Ų52.157%0.57430%0.304SS*.EExtended strand (participates in β ladder)trans-102.5135.6177.2-170.4176.9176.6138.3-7.8110.2A3 E54A3-R5 PolarHBondContact O-N 2.99Å; A3-R5 VanDerWaalsContact O-N 3.13Å; R5-E54 CarbonylContact C-O 3.53Å; R5-E54 WeakPolarHBondContact CA-O 3.24Å; R5-E54 WeakPolarHBondContact CD-OE1 3.24Å; R5-E54 HydrophobicContact CG-CB 4.44Å; R5-E54 IonicContact CZ-OE1 3.99Å; R5-E54 IonicContact NE-OE1 3.77Å; R5-E54 PolarHBondContact NE-OE1 3.24Å; R5-E54 IonicContact NH1-OE1 2.77Å; R5-E54 PolarHBondContact NH1-OE1 2.98Å
6K97.7Very high90.8Very high23 Ų2348.9 Ų48.910%0.129%0.286CS..EExtended strand (participates in β ladder)trans-131.8134.9177.7-70.1-64.3-179167.90111.2I4 V53 E54 L55 A56 D78 A178I4-K6 HydrophobicContact CG2-CG 4.34Å; K6-V53 HydrophobicContact CB-CG1 3.96Å; K6-V53 HydrophobicContact CG-CG1 3.82Å; K6-E54 PolarHBondContact N-O 2.76Å; K6-L55 HydrophobicContact CB-CD2 3.96Å; K6-L55 CarbonylContact O-C 3.58Å; K6-L55 WeakPolarHBondContact O-CA 3.25Å; K6-A56 PolarHBondContact O-N 3.09Å; K6-D78 WeakPolarHBondContact CA-OD2 3.3Å; K6-D78 HydrophobicContact CB-CB 4.41Å; K6-D78 HydrophobicContact CD-CB 3.7Å; K6-D78 WeakPolarHBondContact CD-OD1 3.34Å; K6-D78 IonicContact NZ-OD1 3.2Å; K6-D78 PolarHBondContact NZ-OD1 3.01Å; K6-A178 HydrophobicContact CB-CB 4.34Å; K6-A178 HydrophobicContact CD-CB 4Å; K6-A178 VanDerWaalsContact CE-O 3.27Å; K6-A178 WeakPolarHBondContact CE-O 3.45Å; K6-A178 HydrophobicContact CG-CB 4.13Å; K6-A178 PolarHBondContact NZ-O 3.41Å
7K98.2Very high91.3Very high25 Ų2546.9 Ų46.911%0.10928%0.278CS..EExtended strand (participates in β ladder)trans-94.4123.1176177.6172170.9174.60110.4V9 A56 W58 S73 P75 D78 V79K7-V9 HydrophobicContact CG-CG2 4.44Å; K7-A56 WeakPolarHBondContact CA-O 3.29Å; K7-W58 HydrophobicContact CD-CD2 4.49Å; K7-W58 VanDerWaalsContact CE-CE2 3.49Å; K7-W58 HydrophobicContact CG-CG 4.47Å; K7-S73 WeakPolarHBondContact CE-O 3.39Å; K7-S73 PolarHBondContact NZ-O 2.73Å; K7-P75 PolarHBondContact NZ-O 3.32Å; K7-D78 PolarHBondContact N-OD2 2.87Å; K7-D78 WeakPolarHBondContact O-CA 3.24Å; K7-D78 WeakPolarHBondContact O-CB 3.08Å; K7-D78 PolarHBondContact O-N 2.91Å; K7-V79 PolarHBondContact O-N 3.13Å
8L98.7Very high91.7Very high0 Ų044.9 Ų44.90%027%0.266CS..EExtended strand (participates in β ladder)trans-112.9127.6174179.8158.5000108.4I10 L22 A56 L57 W58 V79 L81 F171 A174L8-I10 HydrophobicContact CD2-CB 4.43Å; L8-L22 HydrophobicContact CD2-CD2 4.4Å; L8-A56 PolarHBondContact N-O 2.74Å; L8-L57 HydrophobicContact CB-CD2 4.06Å; L8-L57 HydrophobicContact CD1-CD2 4.15Å; L8-L57 HydrophobicContact CD2-CD2 4.1Å; L8-L57 HydrophobicContact CG-CD2 4.35Å; L8-W58 PolarHBondContact O-N 3.14Å; L8-V79 WeakPolarHBondContact CA-O 3.27Å; L8-V79 HydrophobicContact CB-CG1 3.85Å; L8-V79 HydrophobicContact CD1-CG1 4.04Å; L8-V79 HydrophobicContact CG-CG1 3.92Å; L8-L81 HydrophobicContact CD1-CD1 3.96Å; L8-L81 HydrophobicContact CD1-CD2 4.5Å; L8-L81 HydrophobicContact CD1-CG 3.88Å; L8-L81 HydrophobicContact CD2-CB 4.41Å; L8-L81 HydrophobicContact CD2-CD1 3.94Å; L8-L81 HydrophobicContact CD2-CG 3.89Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.07Å; L8-F171 HydrophobicContact CD1-CD1 3.94Å; L8-F171 HydrophobicContact CD1-CE1 4.07Å; L8-A174 HydrophobicContact CD1-CB 3.91Å
9V98.8Very high92Very high0 Ų044.1 Ų44.10%026%0.261CS..EExtended strand (participates in β ladder)trans-111.5132.7170.9179.50000108.5K7 V11 W58 T60 S73 Y74 T77 V79 I80 L81K7-V9 HydrophobicContact CG-CG2 4.44Å; V9-V11 HydrophobicContact CG1-CG1 4.15Å; V9-W58 HydrophobicContact CB-CB 4.32Å; V9-W58 HydrophobicContact CG1-CB 4.42Å; V9-W58 HydrophobicContact CG2-CB 3.81Å; V9-W58 HydrophobicContact CG2-CG 4.2Å; V9-T60 HydrophobicContact CG1-CG2 3.81Å; V9-S73 WeakPolarHBondContact CG2-O 3.29Å; V9-Y74 HydrophobicContact CG1-CD1 3.99Å; V9-Y74 HydrophobicContact CG1-CE1 3.84Å; V9-T77 HydrophobicContact CB-CG2 4.05Å; V9-T77 HydrophobicContact CG2-CG2 3.75Å; V9-T77 VanDerWaalsContact CG2-OG1 3.24Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.28Å; V9-V79 PolarHBondContact N-O 2.9Å; V9-V79 VanDerWaalsContact N-O 3.16Å; V9-I80 HydrophobicContact CB-CD1 3.98Å; V9-I80 HydrophobicContact CG1-CD1 4.48Å; V9-I80 WeakPolarHBondContact O-CA 3.38Å; V9-L81 PolarHBondContact O-N 3.13Å
10I98.8Very high92.3Very high0 Ų043.3 Ų43.30%026%0.257CS..EExtended strand (participates in β ladder)trans-104.2134.4176-168.1164.6000110.1L8 K18 L21 L22 W58 D59 T60 L81 C83L8-I10 HydrophobicContact CD2-CB 4.43Å; I10-K18 HydrophobicContact CD1-CB 3.73Å; I10-K18 HydrophobicContact CD1-CG 4.07Å; I10-K18 HydrophobicContact CG1-CB 3.93Å; I10-K18 HydrophobicContact CG1-CD 4.04Å; I10-K18 HydrophobicContact CG1-CG 3.88Å; I10-K18 HydrophobicContact CG2-CB 4.15Å; I10-K18 HydrophobicContact CG2-CD 4.47Å; I10-L21 HydrophobicContact CD1-CD2 4.13Å; I10-L22 HydrophobicContact CD1-CD2 4.32Å; I10-L22 HydrophobicContact CD1-CG 4.31Å; I10-L22 HydrophobicContact CG2-CD1 3.63Å; I10-L22 HydrophobicContact CG2-CD2 4.4Å; I10-L22 HydrophobicContact CG2-CG 4.16Å; I10-W58 WeakPolarHBondContact CG2-O 3.37Å; I10-W58 PolarHBondContact N-O 3.36Å; I10-W58 VanDerWaalsContact N-O 3.09Å; I10-D59 HydrophobicContact CG2-CB 4.5Å; I10-T60 WeakPolarHBondContact O-CG2 3.39Å; I10-T60 PolarHBondContact O-OG1 3.41Å; I10-L81 CarbonylContact C-O 3.44Å; I10-L81 VanDerWaalsContact CA-O 3.31Å; I10-L81 WeakPolarHBondContact CA-O 3.39Å; I10-L81 HydrophobicContact CB-CB 4.15Å; I10-L81 HydrophobicContact CD1-CB 4.22Å; I10-L81 HydrophobicContact CD1-CD1 4.22Å; I10-L81 HydrophobicContact CG1-CB 3.83Å; I10-C83 VanDerWaalsContact CD1-SG 3.56Å
11V98.8Very high92.6Very high0 Ų041.2 Ų41.20%025%0.245CC..EExtended strand (participates in β ladder)trans-137.5166.4-179.5-57.50000110.5V9 K18 Y74 I80 L81 M82 C83 W99 V103V9-V11 HydrophobicContact CG1-CG1 4.15Å; V11-K18 VanDerWaalsContact C-CD 3.48Å; V11-Y74 HydrophobicContact CG1-CE1 3.78Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.47Å; V11-I80 HydrophobicContact CG2-CG2 3.99Å; V11-L81 PolarHBondContact N-O 2.87Å; V11-M82 HydrophobicContact CG2-CB 4.22Å; V11-M82 HydrophobicContact CG2-CE 4.49Å; V11-M82 HydrophobicContact CG2-CG 4.06Å; V11-C83 PolarHBondContact O-N 2.85Å; V11-W99 HydrophobicContact CB-CE3 3.88Å; V11-W99 HydrophobicContact CB-CZ3 4.13Å; V11-W99 HydrophobicContact CG2-CE3 4.25Å; V11-V103 HydrophobicContact CG2-CG2 3.87Å
12G98.7Very high95Very high0 Ų029.8 Ų29.80%019%0.189CC..EExtended strand (participates in β ladder)trans135.7169-173.700000111.7K18 G62 C83 W99G12-K18 PolarHBondContact O-NZ 2.94Å; G12-G62 VanDerWaalsContact O-CA 3.25Å; G12-G62 WeakPolarHBondContact O-CA 3.33Å; G12-C83 VanDerWaalsContact CA-O 3.29Å; G12-C83 WeakPolarHBondContact CA-O 3.39Å; G12-W99 WeakPolarHBondContact O-CH2 3.36Å; G12-W99 WeakPolarHBondContact O-CZ2 3.37Å
13D98.3Very high96.8Very high22 Ų2226.1 Ų26.112%0.11816%0.155CC..  trans-55.8159.9-173.8-78-1.8000114.7C16 K18 S91 N94 W99D13-C16 HydrophobicContact CB-CB 4.47Å; D13-C16 PolarHBondContact O-N 2.83Å; D13-C16 PolarHBondContact O-SG 2.7Å; D13-K18 PolarHBondContact O-NZ 3.18Å; D13-S91 VanDerWaalsContact OD2-CA 3.28Å; D13-S91 WeakPolarHBondContact OD2-CA 3.33Å; D13-S91 WeakPolarHBondContact OD2-CB 3.32Å; D13-N94 PolarHBondContact OD2-ND2 3.45Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.19Å; D13-W99 PolarHBondContact OD1-NE1 3.45Å
14G95.8Very high97.8Very high34 Ų3423.4 Ų23.435%0.35113%0.132SC..THydrogen-bonded Turntrans-53143.1166.900000110.8C16 G62G14-C16 PolarHBondContact O-N 2.8Å; G14-G62 PolarHBondContact N-O 2.77Å
15A95.9Very high98Very high51 Ų5121.9 Ų21.942%0.42112%0.123SC..THydrogen-bonded Turntrans57.611.617800000117.1G17 Y34 K118A15-G17 PolarHBondContact O-N 3.02Å; A15-Y34 HydrophobicContact CB-CE1 4.49Å; A15-Y34 HydrophobicContact CB-CE2 4.37Å; A15-Y34 PolarHBondContact N-OH 2.96Å; A15-K118 VanDerWaalsContact O-CE 3.3Å; A15-K118 WeakPolarHBondContact O-CE 3.34Å; A15-K118 PolarHBondContact O-NZ 2.78Å; A15-K118 VanDerWaalsContact O-NZ 3.14Å
16C98Very high98Very high2 Ų216.1 Ų16.11%0.01411%0.106CC..SBendtrans-76.7-0.1177.178.80000114.4D13 G14 K18 N117D13-C16 HydrophobicContact CB-CB 4.47Å; D13-C16 PolarHBondContact O-N 2.83Å; D13-C16 PolarHBondContact O-SG 2.7Å; G14-C16 PolarHBondContact O-N 2.8Å; C16-K18 VanDerWaalsContact SG-CG 3.58Å; C16-N117 WeakPolarHBondContact O-CB 3.49Å; C16-N117 PolarHBondContact O-ND2 2.88Å
17G98.2Very high97.9Very high15 Ų1521 Ų2116%0.15513%0.127CC..SBendtrans97.911.317300000116.7A15 T19 C20 L21A15-G17 PolarHBondContact O-N 3.02Å; G17-T19 PolarHBondContact O-N 3.08Å; G17-C20 PolarHBondContact O-N 3.36Å; G17-L21 WeakPolarHBondContact O-CB 3.34Å; G17-L21 PolarHBondContact O-N 3.2Å
18K98.5Very high97.7Very high11 Ų1125 Ų255%0.04815%0.15CC..Hα-helixtrans-50.8-56.4178.6-57.8-173.5-61.7-73.20113.1I10 V11 G12 D13 C16 C20 L21 L22 T60 C83I10-K18 HydrophobicContact CD1-CB 3.73Å; I10-K18 HydrophobicContact CD1-CG 4.07Å; I10-K18 HydrophobicContact CG1-CB 3.93Å; I10-K18 HydrophobicContact CG1-CD 4.04Å; I10-K18 HydrophobicContact CG1-CG 3.88Å; I10-K18 HydrophobicContact CG2-CB 4.15Å; I10-K18 HydrophobicContact CG2-CD 4.47Å; V11-K18 VanDerWaalsContact C-CD 3.48Å; G12-K18 PolarHBondContact O-NZ 2.94Å; D13-K18 PolarHBondContact O-NZ 3.18Å; C16-K18 VanDerWaalsContact SG-CG 3.58Å; K18-C20 PolarHBondContact O-N 3.1Å; K18-L21 WeakPolarHBondContact O-CB 3.12Å; K18-L21 PolarHBondContact O-N 3.26Å; K18-L22 PolarHBondContact O-N 2.8Å; K18-T60 WeakPolarHBondContact CE-O 3.34Å; K18-C83 HydrophobicContact CG-CB 4.11Å
19T98.1Very high97.5Very high29 Ų2931.4 Ų31.418%0.17818%0.179CC..Hα-helixtrans-62.7-43.7-177.6-52.30000111.9G17 L21 L22 I23 T37 D59G17-T19 PolarHBondContact O-N 3.08Å; T19-L21 VanDerWaalsContact C-N 3.31Å; T19-L21 PolarHBondContact O-N 2.67Å; T19-L22 PolarHBondContact O-N 3.19Å; T19-I23 HydrophobicContact CG2-CD1 3.68Å; T19-I23 HydrophobicContact CG2-CG1 4.29Å; T19-I23 WeakPolarHBondContact O-CB 3.48Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.38Å; T19-I23 PolarHBondContact O-N 2.92Å; T19-T37 PolarHBondContact OG1-OG1 2.84Å; T19-D59 VanDerWaalsContact CA-OD2 3.31Å; T19-D59 WeakPolarHBondContact CA-OD2 3.41Å; T19-D59 WeakPolarHBondContact CB-OD2 3.38Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.44Å; T19-D59 PolarHBondContact OG1-OD2 3.13Å
20C98.2Very high97.3Very high28 Ų2835.2 Ų35.219%0.18920%0.196CC..Hα-helixtrans-59.7-42.2175.7-56.70000111.8G17 K18 I23 V24 F30 P31 A161G17-C20 PolarHBondContact O-N 3.36Å; K18-C20 PolarHBondContact O-N 3.1Å; C20-I23 PolarHBondContact O-N 2.8Å; C20-V24 WeakPolarHBondContact O-CB 3.43Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.44Å; C20-V24 PolarHBondContact O-N 3.22Å; C20-F30 HydrophobicContact CB-CD2 4.39Å; C20-F30 HydrophobicContact CB-CE2 3.92Å; C20-P31 HydrophobicContact CB-CG 4.29Å; C20-A161 HydrophobicContact CB-CB 3.89Å
21L98.8Very high97Very high0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-61.2-47.3177.6177.159.8000111.6I10 G17 K18 T19 F25 L81 V115 V167 V170 F171I10-L21 HydrophobicContact CD1-CD2 4.13Å; G17-L21 WeakPolarHBondContact O-CB 3.34Å; G17-L21 PolarHBondContact O-N 3.2Å; K18-L21 WeakPolarHBondContact O-CB 3.12Å; K18-L21 PolarHBondContact O-N 3.26Å; T19-L21 VanDerWaalsContact C-N 3.31Å; T19-L21 PolarHBondContact O-N 2.67Å; L21-F25 WeakPolarHBondContact O-CB 3.43Å; L21-F25 PolarHBondContact O-N 2.91Å; L21-F25 VanDerWaalsContact O-N 3.08Å; L21-L81 HydrophobicContact CD2-CD1 4.36Å; L21-V115 HydrophobicContact CD2-CG1 4.24Å; L21-V167 HydrophobicContact CD1-CB 4.32Å; L21-V167 HydrophobicContact CD1-CG1 3.91Å; L21-V167 HydrophobicContact CD1-CG2 3.99Å; L21-V170 HydrophobicContact CD2-CG1 4.38Å; L21-F171 HydrophobicContact CD1-CE2 3.85Å; L21-F171 HydrophobicContact CD1-CZ 4.44Å; L21-F171 HydrophobicContact CG-CE2 3.95Å; L21-F171 HydrophobicContact CG-CZ 4.02Å
22L98.6Very high96.5Very high0 Ų045.8 Ų45.80%025%0.249CC..Hα-helixtrans-64.9-43.9178.5-66.1-176.1000112.6L8 I10 K18 T19 F25 S26 Y42 L57 D59 F171L8-L22 HydrophobicContact CD2-CD2 4.4Å; I10-L22 HydrophobicContact CD1-CD2 4.32Å; I10-L22 HydrophobicContact CD1-CG 4.31Å; I10-L22 HydrophobicContact CG2-CD1 3.63Å; I10-L22 HydrophobicContact CG2-CD2 4.4Å; I10-L22 HydrophobicContact CG2-CG 4.16Å; K18-L22 PolarHBondContact O-N 2.8Å; T19-L22 PolarHBondContact O-N 3.19Å; L22-F25 PolarHBondContact O-N 2.86Å; L22-S26 WeakPolarHBondContact O-CB 3.42Å; L22-S26 PolarHBondContact O-N 3.08Å; L22-S26 PolarHBondContact O-OG 2.85Å; L22-Y42 HydrophobicContact CB-CD2 4.49Å; L22-Y42 HydrophobicContact CD1-CD2 4.3Å; L22-Y42 HydrophobicContact CD1-CE2 4.46Å; L22-L57 HydrophobicContact CD2-CB 4.12Å; L22-L57 HydrophobicContact CD2-CD1 4.21Å; L22-L57 HydrophobicContact CD2-CD2 4.39Å; L22-L57 HydrophobicContact CD2-CG 4.48Å; L22-D59 HydrophobicContact CD1-CB 3.47Å; L22-D59 VanDerWaalsContact CD1-CB 3.47Å; L22-F171 HydrophobicContact CD2-CE1 3.94Å; L22-F171 HydrophobicContact CD2-CZ 3.89Å
23I97.1Very high95.9Very high23 Ų2351.4 Ų51.412%0.11828%0.283CS..Hα-helixtrans-66.5-44.9-179.4-67.1175000110.4T19 C20 F25 S26 K27 Q29 P31 Y42T19-I23 HydrophobicContact CG2-CD1 3.68Å; T19-I23 HydrophobicContact CG2-CG1 4.29Å; T19-I23 WeakPolarHBondContact O-CB 3.48Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.38Å; T19-I23 PolarHBondContact O-N 2.92Å; C20-I23 PolarHBondContact O-N 2.8Å; I23-F25 VanDerWaalsContact C-N 3.31Å; I23-F25 PolarHBondContact O-N 2.85Å; I23-S26 PolarHBondContact O-N 2.83Å; I23-K27 HydrophobicContact CG2-CB 4.39Å; I23-K27 HydrophobicContact CG2-CD 4.33Å; I23-K27 WeakPolarHBondContact O-CA 3.11Å; I23-K27 WeakPolarHBondContact O-CB 3.4Å; I23-K27 PolarHBondContact O-N 2.89Å; I23-Q29 WeakPolarHBondContact CG2-O 3.44Å; I23-P31 HydrophobicContact CD1-CG 4.18Å; I23-Y42 HydrophobicContact CG1-CE1 3.94Å; I23-Y42 WeakPolarHBondContact CG1-OH 3.38Å
24V98.2Very high95.2Very high5 Ų556.8 Ų56.83%0.0330%0.302CS..Hα-helixtrans-62.9-41178.5170.40000110.8C20 D28 Q29 F30 A161 K164 V167C20-V24 WeakPolarHBondContact O-CB 3.43Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.44Å; C20-V24 PolarHBondContact O-N 3.22Å; V24-D28 WeakPolarHBondContact O-CA 3.4Å; V24-D28 PolarHBondContact O-N 2.86Å; V24-Q29 VanDerWaalsContact CG2-O 3.32Å; V24-Q29 WeakPolarHBondContact CG2-O 3.49Å; V24-F30 HydrophobicContact CG2-CB 4.03Å; V24-F30 HydrophobicContact CG2-CD2 3.95Å; V24-F30 HydrophobicContact CG2-CG 4.5Å; V24-A161 HydrophobicContact CB-CB 4.37Å; V24-A161 HydrophobicContact CG2-CB 3.98Å; V24-A161 WeakPolarHBondContact CG2-O 3.42Å; V24-K164 HydrophobicContact CG1-CG 3.93Å; V24-V167 HydrophobicContact CG1-CG1 4.25Å; V24-V167 HydrophobicContact CG1-CG2 4.27Å
25F98.3Very high94.8Very high39 Ų3960.1 Ų60.117%0.17132%0.315CS..Hα-helixtrans-66.1-45.5176.2173.5-113.4000113.1L21 L22 I23 A44 I46 L55 L57 V167 F171L21-F25 WeakPolarHBondContact O-CB 3.43Å; L21-F25 PolarHBondContact O-N 2.91Å; L21-F25 VanDerWaalsContact O-N 3.08Å; L22-F25 PolarHBondContact O-N 2.86Å; I23-F25 VanDerWaalsContact C-N 3.31Å; I23-F25 PolarHBondContact O-N 2.85Å; F25-A44 HydrophobicContact CD1-CB 4.03Å; F25-A44 HydrophobicContact CE1-CB 3.49Å; F25-A44 VanDerWaalsContact CE1-CB 3.49Å; F25-A44 HydrophobicContact CZ-CB 4.18Å; F25-I46 HydrophobicContact CE2-CD1 4.07Å; F25-I46 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CZ-CD1 4.01Å; F25-L55 HydrophobicContact CE1-CD1 3.91Å; F25-L55 HydrophobicContact CZ-CD1 4.06Å; F25-L57 HydrophobicContact CD1-CD1 3.89Å; F25-L57 HydrophobicContact CE1-CD1 4.17Å; F25-V167 HydrophobicContact CB-CG1 3.9Å; F25-F171 HydrophobicContact CB-CD2 3.7Å; F25-F171 HydrophobicContact CB-CE1 4.49Å; F25-F171 HydrophobicContact CB-CE2 3.28Å; F25-F171 HydrophobicContact CB-CG 4.49Å; F25-F171 HydrophobicContact CB-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CB 4.48Å; F25-F171 AromaticContact CD1-CD1 3.6Å; F25-F171 HydrophobicContact CD1-CD1 3.6Å; F25-F171 AromaticContact CD1-CD2 3.73Å; F25-F171 HydrophobicContact CD1-CD2 3.73Å; F25-F171 AromaticContact CD1-CE1 3.62Å; F25-F171 HydrophobicContact CD1-CE1 3.62Å; F25-F171 AromaticContact CD1-CE2 3.8Å; F25-F171 HydrophobicContact CD1-CE2 3.8Å; F25-F171 AromaticContact CD1-CG 3.65Å; F25-F171 HydrophobicContact CD1-CG 3.65Å; F25-F171 AromaticContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD2-CB 4.07Å; F25-F171 AromaticContact CD2-CD2 3.38Å; F25-F171 HydrophobicContact CD2-CD2 3.38Å; F25-F171 AromaticContact CD2-CE2 3.95Å; F25-F171 HydrophobicContact CD2-CE2 3.95Å; F25-F171 AromaticContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CE1-CB 4.08Å; F25-F171 AromaticContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD2 4.19Å; F25-F171 HydrophobicContact CE1-CE1 4.05Å; F25-F171 AromaticContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE2-CB 3.65Å; F25-F171 AromaticContact CE2-CD2 3.89Å; F25-F171 HydrophobicContact CE2-CD2 3.89Å; F25-F171 AromaticContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CG-CB 4.47Å; F25-F171 HydrophobicContact CG-CD1 4.08Å; F25-F171 AromaticContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CE1 4.13Å; F25-F171 AromaticContact CG-CE2 3.4Å; F25-F171 HydrophobicContact CG-CE2 3.4Å; F25-F171 AromaticContact CG-CG 3.68Å; F25-F171 HydrophobicContact CG-CG 3.68Å; F25-F171 AromaticContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CZ-CB 3.66Å; F25-F171 HydrophobicContact CZ-CD1 4.09Å; F25-F171 HydrophobicContact CZ-CD2 4.27Å; F25-F171 AromaticContact CZ-CG 3.74Å; F25-F171 HydrophobicContact CZ-CG 3.74Å
26S96.2Very high94.5Very high32 Ų3260.5 Ų60.522%0.22431%0.314CS..Hα-helixtrans-83.8-27-17358.50000114.5L22 I23L22-S26 WeakPolarHBondContact O-CB 3.42Å; L22-S26 PolarHBondContact O-N 3.08Å; L22-S26 PolarHBondContact O-OG 2.85Å; I23-S26 PolarHBondContact O-N 2.83Å
27K95.1Very high94.2Very high126 Ų12661.2 Ų61.255%0.54832%0.318SS..Hα-helixtrans-126.4-1.5-172.6-57.3-173.9-176.5172.30114I23 Q29I23-K27 HydrophobicContact CG2-CB 4.39Å; I23-K27 HydrophobicContact CG2-CD 4.33Å; I23-K27 WeakPolarHBondContact O-CA 3.11Å; I23-K27 WeakPolarHBondContact O-CB 3.4Å; I23-K27 PolarHBondContact O-N 2.89Å; K27-Q29 PolarHBondContact O-N 3.42Å
28D94.7Very high93.7Very high109 Ų10964.1 Ų64.158%0.58333%0.333SS*.SBendtrans56.321.8-178.6-16045000114.9V24 K164V24-D28 WeakPolarHBondContact O-CA 3.4Å; V24-D28 PolarHBondContact O-N 2.86Å; D28-K164 PolarHBondContact O-NZ 2.97Å; D28-K164 WeakPolarHBondContact OD1-CE 3.39Å; D28-K164 IonicContact OD1-NZ 2.93Å; D28-K164 PolarHBondContact OD1-NZ 2.92Å; D28-K164 IonicContact OD2-NZ 3.71Å; D28-K164 PolarHBondContact OD2-NZ 2.72Å
29Q94.1Very high93.3Very high133 Ų13367.4 Ų67.462%0.62135%0.347SS*.  trans-124.9133.3-177-173.317829.500110.9I23 V24 K27I23-Q29 WeakPolarHBondContact CG2-O 3.44Å; V24-Q29 VanDerWaalsContact CG2-O 3.32Å; V24-Q29 WeakPolarHBondContact CG2-O 3.49Å; K27-Q29 PolarHBondContact O-N 3.42Å
30F94.2Very high93.1Very high80 Ų8070.2 Ų70.235%0.35136%0.358SS..  trans-88.5125.3171.8-175.3-97.3000110.2C20 V24 A161 K162C20-F30 HydrophobicContact CB-CD2 4.39Å; C20-F30 HydrophobicContact CB-CE2 3.92Å; V24-F30 HydrophobicContact CG2-CB 4.03Å; V24-F30 HydrophobicContact CG2-CD2 3.95Å; V24-F30 HydrophobicContact CG2-CG 4.5Å; F30-A161 HydrophobicContact CD2-CB 4.04Å; F30-A161 HydrophobicContact CE2-CB 4.01Å; F30-K162 HydrophobicContact CD2-CB 4.28Å; F30-K162 HydrophobicContact CE2-CB 3.95Å; F30-K162 HydrophobicContact CZ-CB 4.17Å; F30-K162 HydrophobicContact CZ-CG 4.46Å
31P92.2Very high93Very high35 Ų3573 Ų7323%0.22737%0.371CS..  trans-74.1127.2176.230.3-34.1000110.8C20 I23C20-P31 HydrophobicContact CB-CG 4.29Å; I23-P31 HydrophobicContact CD1-CG 4.18Å
32E88.6Confident92.8Very high188 Ų18874 Ų7488%0.87938%0.375SS*.SBendtrans-83.5-20.1179.3-63.2-171.9169.200113.4
33V87.7Confident92.7Very high117 Ų11777.8 Ų77.871%0.70940%0.398SS*.SBendtrans-107127.2-179.2-1780000109.6V35V33-V35 HydrophobicContact CG1-CG2 4.34Å
34Y83.3Confident92.6Very high136 Ų13677.2 Ų77.253%0.53340%0.397SS..  trans-86.1124.7173.4176.2-112.3000111.1A15 P36A15-Y34 HydrophobicContact CB-CE1 4.49Å; A15-Y34 HydrophobicContact CB-CE2 4.37Å; A15-Y34 PolarHBondContact N-OH 2.96Å; Y34-P36 HydrophobicContact CE1-CG 3.84Å
35V86.7Confident92.5Very high103 Ų10382.8 Ų82.862%0.62443%0.426SS*.  trans-126.9125.7169-179.20000107.3V33 T37V33-V35 HydrophobicContact CG1-CG2 4.34Å; V35-T37 PolarHBondContact O-N 3.16Å
36P90.5Very high92.5Very high59 Ų5981.2 Ų81.238%0.38342%0.42SS..  trans-60.7122.3175.3-22.632.3000111.9Y34 Q63Y34-P36 HydrophobicContact CE1-CG 3.84Å; P36-Q63 VanDerWaalsContact CB-NE2 3.26Å
37T90.7Very high92.4Very high17 Ų1784.4 Ų84.410%0.10443%0.431CS..  trans-75.6135.1-178.7-49.20000110.9T19 V35 E40 D59 A61T19-T37 PolarHBondContact OG1-OG1 2.84Å; V35-T37 PolarHBondContact O-N 3.16Å; T37-E40 HydrophobicContact CG2-CB 4.42Å; T37-E40 HydrophobicContact CG2-CG 4.06Å; T37-D59 HydrophobicContact CG2-CB 4.32Å; T37-A61 WeakPolarHBondContact O-CA 3.36Å; T37-A61 WeakPolarHBondContact O-CB 3.49Å
38V88.5Confident92.5Very high77 Ų7778.6 Ų78.647%0.46741%0.406SS..SBendtrans-85.1-63166.3175.60000108.9A61 Y66V38-A61 WeakPolarHBondContact O-CB 3.41Å; V38-A61 PolarHBondContact O-N 3.16Å; V38-A61 VanDerWaalsContact O-N 3.16Å; V38-Y66 HydrophobicContact CB-CE1 4.14Å; V38-Y66 HydrophobicContact CG1-CD1 3.93Å; V38-Y66 HydrophobicContact CG1-CE1 3.49Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.49Å; V38-Y66 HydrophobicContact CG2-CE1 3.89Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.24Å
39F90.1Very high92.4Very high80 Ų8078.5 Ų78.535%0.35141%0.406SS..EExtended strand (participates in β ladder)trans-166133.1177.2173-107.2000109.3N41 W58 D59 S73F39-N41 WeakPolarHBondContact CE1-ND2 3.45Å; F39-N41 VanDerWaalsContact CZ-CG 3.46Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.24Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.16Å; F39-W58 HydrophobicContact CE1-CE3 4.48Å; F39-W58 HydrophobicContact CE1-CZ3 4.32Å; F39-W58 HydrophobicContact CE2-CB 4.3Å; F39-W58 HydrophobicContact CE2-CD2 4.06Å; F39-W58 AromaticContact CE2-CE3 3.32Å; F39-W58 HydrophobicContact CE2-CE3 3.32Å; F39-W58 AromaticContact CE2-CZ3 3.88Å; F39-W58 HydrophobicContact CE2-CZ3 3.88Å; F39-W58 AromaticContact CZ-CD2 3.93Å; F39-W58 HydrophobicContact CZ-CD2 3.93Å; F39-W58 AromaticContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CH2 4.2Å; F39-W58 AromaticContact CZ-CZ3 3.36Å; F39-W58 HydrophobicContact CZ-CZ3 3.36Å; F39-D59 WeakPolarHBondContact CA-O 3.43Å; F39-D59 WeakPolarHBondContact CD2-O 3.49Å; F39-S73 WeakPolarHBondContact CE2-OG 3.28Å
40E94Very high92.4Very high87 Ų8775.2 Ų75.241%0.40741%0.407SS..EExtended strand (participates in β ladder)trans-142.9153.9175.5-68.2-170.8-170.300111.3T37 Y42 D59T37-E40 HydrophobicContact CG2-CB 4.42Å; T37-E40 HydrophobicContact CG2-CG 4.06Å; E40-Y42 HydrophobicContact CB-CE2 3.81Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.3Å; E40-Y42 PolarHBondContact OE2-OH 3.35Å; E40-D59 HydrophobicContact CB-CB 4.19Å; E40-D59 PolarHBondContact N-O 2.87Å; E40-D59 PolarHBondContact O-N 3.23Å
41N94.7Very high92.4Very high87 Ų8776.3 Ų76.347%0.46541%0.412SS..EExtended strand (participates in β ladder)trans-121.8136.5176.9-71.9-49.7000111F39 L57 W58F39-N41 WeakPolarHBondContact CE1-ND2 3.45Å; F39-N41 VanDerWaalsContact CZ-CG 3.46Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.24Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.16Å; N41-L57 WeakPolarHBondContact CA-O 3.4Å; N41-W58 VanDerWaalsContact OD1-CD2 3.25Å
42Y95.5Very high92.6Very high22 Ų2279.9 Ų79.99%0.08643%0.425CS..EExtended strand (participates in β ladder)trans-126.2159.6173.3-53.9-100.9000109.8L22 I23 E40 L57 D59L22-Y42 HydrophobicContact CB-CD2 4.49Å; L22-Y42 HydrophobicContact CD1-CD2 4.3Å; L22-Y42 HydrophobicContact CD1-CE2 4.46Å; I23-Y42 HydrophobicContact CG1-CE1 3.94Å; I23-Y42 WeakPolarHBondContact CG1-OH 3.38Å; E40-Y42 HydrophobicContact CB-CE2 3.81Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.3Å; E40-Y42 PolarHBondContact OE2-OH 3.35Å; Y42-L57 PolarHBondContact N-O 3.42Å; Y42-L57 PolarHBondContact O-N 2.89Å; Y42-D59 HydrophobicContact CE2-CB 4.27Å
43V95.7Very high93Very high79 Ų7971 Ų7148%0.47938%0.384SS..EExtended strand (participates in β ladder)trans-125.4136.6169.4-178.40000107.6E54 L55V43-E54 HydrophobicContact CG1-CG 3.49Å; V43-E54 VanDerWaalsContact CG1-CG 3.49Å; V43-L55 WeakPolarHBondContact CA-O 3.09Å
44A96.4Very high93.5Very high11 Ų1167.8 Ų67.89%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-143.7139.3174.900000109.9F25 L55 L57F25-A44 HydrophobicContact CD1-CB 4.03Å; F25-A44 HydrophobicContact CE1-CB 3.49Å; F25-A44 VanDerWaalsContact CE1-CB 3.49Å; F25-A44 HydrophobicContact CZ-CB 4.18Å; A44-L55 PolarHBondContact N-O 3.36Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 WeakPolarHBondContact O-CB 3.47Å; A44-L55 PolarHBondContact O-N 2.86Å; A44-L57 HydrophobicContact CB-CD1 4.08Å
45D96.1Very high94.2Very high121 Ų12161.3 Ų61.365%0.64734%0.336SS*.EExtended strand (participates in β ladder)trans-92137.7173.8-65.4-50.1000110.2
46I96.7Very high94.7Very high7 Ų756.7 Ų56.74%0.03631%0.309CS..EExtended strand (participates in β ladder)trans-141.6140175.8-167.2174.4000110.8F25 V48 V53 L55 F171 E172 T175F25-I46 HydrophobicContact CE2-CD1 4.07Å; F25-I46 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CZ-CD1 4.01Å; I46-V48 HydrophobicContact CD1-CG2 3.97Å; I46-V48 HydrophobicContact CG1-CG2 3.97Å; I46-V48 HydrophobicContact CG2-CG2 4.33Å; I46-V53 HydrophobicContact CG2-CB 4.22Å; I46-V53 PolarHBondContact N-O 2.53Å; I46-V53 PolarHBondContact O-N 2.93Å; I46-L55 HydrophobicContact CG2-CD1 3.72Å; I46-L55 HydrophobicContact CG2-CG 3.99Å; I46-F171 HydrophobicContact CD1-CB 4Å; I46-E172 HydrophobicContact CD1-CG 3.8Å; I46-T175 HydrophobicContact CG2-CG2 4.14Å
47E95.5Very high95.1Very high99 Ų9953.9 Ų53.946%0.46329%0.29SS..EExtended strand (participates in β ladder)trans-98122.5170-170179.3162.200110K51 Q52E47-K51 WeakPolarHBondContact CA-O 3.3Å; E47-Q52 VanDerWaalsContact CD-NE2 3.32Å; E47-Q52 PolarHBondContact OE2-NE2 3.01Å
48V95.9Very high95.5Very high3 Ų356.1 Ų56.12%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-132.6125.1176.9-179.70000109.7I46 G50 K51 E172 T175 R176I46-V48 HydrophobicContact CD1-CG2 3.97Å; I46-V48 HydrophobicContact CG1-CG2 3.97Å; I46-V48 HydrophobicContact CG2-CG2 4.33Å; V48-G50 PolarHBondContact O-N 3.42Å; V48-K51 PolarHBondContact N-O 3.06Å; V48-K51 WeakPolarHBondContact O-CB 3.33Å; V48-K51 PolarHBondContact O-N 2.97Å; V48-E172 HydrophobicContact CG2-CB 4.34Å; V48-E172 HydrophobicContact CG2-CG 4.17Å; V48-T175 HydrophobicContact CB-CG2 3.97Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V48-R176 HydrophobicContact CG1-CB 4.24Å
49D94Very high95.9Very high108 Ų10852.4 Ų52.458%0.57827%0.274SS*.THydrogen-bonded Turntrans51.341.7178.7-50.4-24.8000112.3K51 R176D49-K51 VanDerWaalsContact C-N 3.31Å; D49-K51 PolarHBondContact O-N 3.24Å; D49-R176 IonicContact OD1-CZ 3.91Å; D49-R176 IonicContact OD1-NE 3.05Å; D49-R176 IonicContact OD1-NH2 2.95Å; D49-R176 PolarHBondContact OD1-NH2 2.91Å; D49-R176 IonicContact OD2-CZ 2.85Å; D49-R176 IonicContact OD2-NE 2.9Å; D49-R176 PolarHBondContact OD2-NE 3.1Å; D49-R176 IonicContact OD2-NH2 3.68Å
50G93Very high96.3Very high63 Ų6348.7 Ų48.765%0.64926%0.258SS*.THydrogen-bonded Turntrans75.98.8-179.400000115.4V48V48-G50 PolarHBondContact O-N 3.42Å
51K94.1Very high96.4Very high104 Ų10444.7 Ų44.745%0.45224%0.24SC..EExtended strand (participates in β ladder)trans-109.5124.5178.7-63.4175.1-176.6171.50110.3I4 E47 V48 D49 V53 L179I4-K51 HydrophobicContact CD1-CB 4.3Å; I4-K51 HydrophobicContact CD1-CD 4.25Å; I4-K51 HydrophobicContact CD1-CG 4.48Å; E47-K51 WeakPolarHBondContact CA-O 3.3Å; V48-K51 PolarHBondContact N-O 3.06Å; V48-K51 WeakPolarHBondContact O-CB 3.33Å; V48-K51 PolarHBondContact O-N 2.97Å; D49-K51 VanDerWaalsContact C-N 3.31Å; D49-K51 PolarHBondContact O-N 3.24Å; K51-V53 HydrophobicContact CB-CG2 4.47Å; K51-L179 HydrophobicContact CD-CD1 4.16Å; K51-L179 HydrophobicContact CD-CD2 4.5Å
52Q96.2Very high96.3Very high110 Ų11041 Ų4151%0.51422%0.223SC..EExtended strand (participates in β ladder)trans-76.5122.6169.6-63.5-63.4-17.100109.8E47E47-Q52 VanDerWaalsContact CD-NE2 3.32Å; E47-Q52 PolarHBondContact OE2-NE2 3.01Å
53V97.6Very high96.1Very high1 Ų143.3 Ų43.31%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-126.1126.8-177.9-176.40000110.2I4 K6 I46 K51 L55 T175 L179I4-V53 HydrophobicContact CB-CG2 4.32Å; I4-V53 HydrophobicContact CG2-CG2 4.33Å; I4-V53 CarbonylContact O-C 3.59Å; I4-V53 VanDerWaalsContact O-CA 3.24Å; I4-V53 WeakPolarHBondContact O-CA 3.19Å; I4-V53 WeakPolarHBondContact O-CG1 3.22Å; K6-V53 HydrophobicContact CB-CG1 3.96Å; K6-V53 HydrophobicContact CG-CG1 3.82Å; I46-V53 HydrophobicContact CG2-CB 4.22Å; I46-V53 PolarHBondContact N-O 2.53Å; I46-V53 PolarHBondContact O-N 2.93Å; K51-V53 HydrophobicContact CB-CG2 4.47Å; V53-L55 HydrophobicContact CG1-CD2 4.3Å; V53-T175 HydrophobicContact CB-CG2 3.99Å; V53-T175 HydrophobicContact CG1-CG2 4.06Å; V53-T175 HydrophobicContact CG2-CG2 3.81Å; V53-L179 HydrophobicContact CG2-CD1 4.09Å; V53-L179 HydrophobicContact CG2-CD2 4.12Å; V53-L179 HydrophobicContact CG2-CG 4.45Å
54E97.7Very high95.9Very high50 Ų5045.7 Ų45.723%0.23424%0.24CC..EExtended strand (participates in β ladder)trans-86114.8166.7-176.6-172.882.900108.2I4 R5 K6 V43I4-E54 PolarHBondContact O-N 3.27Å; R5-E54 CarbonylContact C-O 3.53Å; R5-E54 WeakPolarHBondContact CA-O 3.24Å; R5-E54 WeakPolarHBondContact CD-OE1 3.24Å; R5-E54 HydrophobicContact CG-CB 4.44Å; R5-E54 IonicContact CZ-OE1 3.99Å; R5-E54 IonicContact NE-OE1 3.77Å; R5-E54 PolarHBondContact NE-OE1 3.24Å; R5-E54 IonicContact NH1-OE1 2.77Å; R5-E54 PolarHBondContact NH1-OE1 2.98Å; K6-E54 PolarHBondContact N-O 2.76Å; V43-E54 HydrophobicContact CG1-CG 3.49Å; V43-E54 VanDerWaalsContact CG1-CG 3.49Å
55L98Very high95.8Very high0 Ų051.9 Ų51.90%027%0.272CS..EExtended strand (participates in β ladder)trans-90.1118.5173.6-70.4174000110.2K6 F25 V43 A44 I46 V53 L57 F171K6-L55 HydrophobicContact CB-CD2 3.96Å; K6-L55 CarbonylContact O-C 3.58Å; K6-L55 WeakPolarHBondContact O-CA 3.25Å; F25-L55 HydrophobicContact CE1-CD1 3.91Å; F25-L55 HydrophobicContact CZ-CD1 4.06Å; V43-L55 WeakPolarHBondContact CA-O 3.09Å; A44-L55 PolarHBondContact N-O 3.36Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 WeakPolarHBondContact O-CB 3.47Å; A44-L55 PolarHBondContact O-N 2.86Å; I46-L55 HydrophobicContact CG2-CD1 3.72Å; I46-L55 HydrophobicContact CG2-CG 3.99Å; V53-L55 HydrophobicContact CG1-CD2 4.3Å; L55-L57 HydrophobicContact CB-CD2 3.74Å; L55-L57 HydrophobicContact CB-CG 4.29Å; L55-L57 HydrophobicContact CD1-CD2 4.24Å; L55-F171 HydrophobicContact CD1-CB 4.5Å; L55-F171 HydrophobicContact CD1-CD1 4.19Å
56A98.2Very high95.7Very high6 Ų649.1 Ų49.15%0.0525%0.253CS..EExtended strand (participates in β ladder)trans-86.2108.2162.700000108.4K6 K7 L8K6-A56 PolarHBondContact O-N 3.09Å; K7-A56 WeakPolarHBondContact CA-O 3.29Å; L8-A56 PolarHBondContact N-O 2.74Å
57L98.6Very high95.6Very high0 Ų051.6 Ų51.60%027%0.266CS..EExtended strand (participates in β ladder)trans-97.6121.6-174.7-51.4173.7000109.6L8 L22 F25 N41 Y42 A44 L55 F171L8-L57 HydrophobicContact CB-CD2 4.06Å; L8-L57 HydrophobicContact CD1-CD2 4.15Å; L8-L57 HydrophobicContact CD2-CD2 4.1Å; L8-L57 HydrophobicContact CG-CD2 4.35Å; L22-L57 HydrophobicContact CD2-CB 4.12Å; L22-L57 HydrophobicContact CD2-CD1 4.21Å; L22-L57 HydrophobicContact CD2-CD2 4.39Å; L22-L57 HydrophobicContact CD2-CG 4.48Å; F25-L57 HydrophobicContact CD1-CD1 3.89Å; F25-L57 HydrophobicContact CE1-CD1 4.17Å; N41-L57 WeakPolarHBondContact CA-O 3.4Å; Y42-L57 PolarHBondContact N-O 3.42Å; Y42-L57 PolarHBondContact O-N 2.89Å; A44-L57 HydrophobicContact CB-CD1 4.08Å; L55-L57 HydrophobicContact CB-CD2 3.74Å; L55-L57 HydrophobicContact CB-CG 4.29Å; L55-L57 HydrophobicContact CD1-CD2 4.24Å; L57-F171 HydrophobicContact CD2-CD1 4.31Å; L57-F171 HydrophobicContact CD2-CE1 3.97Å
58W98.6Very high95.5Very high63 Ų6358 Ų5824%0.23929%0.286CS..EExtended strand (participates in β ladder)trans-110.4105-177.6-71.959.9000109.1K7 L8 V9 I10 F39 N41K7-W58 HydrophobicContact CD-CD2 4.49Å; K7-W58 VanDerWaalsContact CE-CE2 3.49Å; K7-W58 HydrophobicContact CG-CG 4.47Å; L8-W58 PolarHBondContact O-N 3.14Å; V9-W58 HydrophobicContact CB-CB 4.32Å; V9-W58 HydrophobicContact CG1-CB 4.42Å; V9-W58 HydrophobicContact CG2-CB 3.81Å; V9-W58 HydrophobicContact CG2-CG 4.2Å; I10-W58 WeakPolarHBondContact CG2-O 3.37Å; I10-W58 PolarHBondContact N-O 3.36Å; I10-W58 VanDerWaalsContact N-O 3.09Å; F39-W58 HydrophobicContact CE1-CE3 4.48Å; F39-W58 HydrophobicContact CE1-CZ3 4.32Å; F39-W58 HydrophobicContact CE2-CB 4.3Å; F39-W58 HydrophobicContact CE2-CD2 4.06Å; F39-W58 AromaticContact CE2-CE3 3.32Å; F39-W58 HydrophobicContact CE2-CE3 3.32Å; F39-W58 AromaticContact CE2-CZ3 3.88Å; F39-W58 HydrophobicContact CE2-CZ3 3.88Å; F39-W58 AromaticContact CZ-CD2 3.93Å; F39-W58 HydrophobicContact CZ-CD2 3.93Å; F39-W58 AromaticContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CH2 4.2Å; F39-W58 AromaticContact CZ-CZ3 3.36Å; F39-W58 HydrophobicContact CZ-CZ3 3.36Å; N41-W58 VanDerWaalsContact OD1-CD2 3.25Å
59D98.1Very high95.5Very high0 Ų062.5 Ų62.50%031%0.309CS..EExtended strand (participates in β ladder)trans-83.1136176.2-160.21.5000111I10 T19 L22 T37 F39 E40 Y42I10-D59 HydrophobicContact CG2-CB 4.5Å; T19-D59 VanDerWaalsContact CA-OD2 3.31Å; T19-D59 WeakPolarHBondContact CA-OD2 3.41Å; T19-D59 WeakPolarHBondContact CB-OD2 3.38Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.44Å; T19-D59 PolarHBondContact OG1-OD2 3.13Å; L22-D59 HydrophobicContact CD1-CB 3.47Å; L22-D59 VanDerWaalsContact CD1-CB 3.47Å; T37-D59 HydrophobicContact CG2-CB 4.32Å; F39-D59 WeakPolarHBondContact CA-O 3.43Å; F39-D59 WeakPolarHBondContact CD2-O 3.49Å; E40-D59 HydrophobicContact CB-CB 4.19Å; E40-D59 PolarHBondContact N-O 2.87Å; E40-D59 PolarHBondContact O-N 3.23Å; Y42-D59 HydrophobicContact CE2-CB 4.27Å
60T97.8Very high95.6Very high2 Ų257.7 Ų57.71%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-127.7150.4-174.272.70000113V9 I10 K18 G62 R70V9-T60 HydrophobicContact CG1-CG2 3.81Å; I10-T60 WeakPolarHBondContact O-CG2 3.39Å; I10-T60 PolarHBondContact O-OG1 3.41Å; K18-T60 WeakPolarHBondContact CE-O 3.34Å; T60-G62 PolarHBondContact O-N 2.99Å; T60-R70 HydrophobicContact CG2-CG 4.18Å
61A95.9Very high95.8Very high3 Ų355.7 Ų55.73%0.02526%0.259CS..  trans-61.7133.3171.100000112.1T37 V38 Y66 R70T37-A61 WeakPolarHBondContact O-CA 3.36Å; T37-A61 WeakPolarHBondContact O-CB 3.49Å; V38-A61 WeakPolarHBondContact O-CB 3.41Å; V38-A61 PolarHBondContact O-N 3.16Å; V38-A61 VanDerWaalsContact O-N 3.16Å; A61-Y66 HydrophobicContact CB-CD1 4.34Å; A61-Y66 HydrophobicContact CB-CD2 3.57Å; A61-Y66 HydrophobicContact CB-CE2 4.4Å; A61-Y66 HydrophobicContact CB-CG 3.53Å; A61-R70 PolarHBondContact O-NE 2.53Å; A61-R70 PolarHBondContact O-NH2 2.71Å
62G93Very high95.9Very high10 Ų1056.8 Ų56.810%0.10327%0.269CS..  trans-90.2-4.3171.700000114.6G12 G14 T60G12-G62 VanDerWaalsContact O-CA 3.25Å; G12-G62 WeakPolarHBondContact O-CA 3.33Å; G14-G62 PolarHBondContact N-O 2.77Å; T60-G62 PolarHBondContact O-N 2.99Å
63Q91.7Very high96Very high69 Ų6951.9 Ų51.932%0.32225%0.247SC..SBendtrans-84.7149.3179.7-62.6174.71000111.1P36 D65 Y66 R70P36-Q63 VanDerWaalsContact CB-NE2 3.26Å; Q63-D65 VanDerWaalsContact C-N 3.29Å; Q63-D65 PolarHBondContact O-N 2.56Å; Q63-Y66 HydrophobicContact CB-CD2 4.1Å; Q63-Y66 PolarHBondContact O-N 2.87Å; Q63-R70 PolarHBondContact O-NH2 2.69Å
64E90.8Very high96Very high130 Ų13052 Ų5261%0.60725%0.247SC*.G310 helixtrans-68.1-27.8-178.9-70.5178.5177.300113.3Y66 D67 K98E64-Y66 PolarHBondContact O-N 3.21Å; E64-D67 VanDerWaalsContact O-CB 3.3Å; E64-D67 WeakPolarHBondContact O-CB 3.19Å; E64-D67 VanDerWaalsContact O-CG 3.23Å; E64-D67 PolarHBondContact O-N 3.48Å; E64-K98 IonicContact OE1-NZ 3.76Å; E64-K98 PolarHBondContact OE1-NZ 3.46Å
65D93.5Very high96Very high141 Ų14153.2 Ų53.275%0.75426%0.259SS*.G310 helixtrans-55.5-22.7175.6-62.8-34.8000112.8Q63Q63-D65 VanDerWaalsContact C-N 3.29Å; Q63-D65 PolarHBondContact O-N 2.56Å
66Y94.1Very high95.9Very high63 Ų6358.4 Ų58.425%0.24729%0.287CS..G310 helixtrans-104.28.3-179.9-61.6-85.7000113.9V38 A61 Q63 E64 R68 L69 R70V38-Y66 HydrophobicContact CB-CE1 4.14Å; V38-Y66 HydrophobicContact CG1-CD1 3.93Å; V38-Y66 HydrophobicContact CG1-CE1 3.49Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.49Å; V38-Y66 HydrophobicContact CG2-CE1 3.89Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.24Å; A61-Y66 HydrophobicContact CB-CD1 4.34Å; A61-Y66 HydrophobicContact CB-CD2 3.57Å; A61-Y66 HydrophobicContact CB-CE2 4.4Å; A61-Y66 HydrophobicContact CB-CG 3.53Å; Q63-Y66 HydrophobicContact CB-CD2 4.1Å; Q63-Y66 PolarHBondContact O-N 2.87Å; E64-Y66 PolarHBondContact O-N 3.21Å; Y66-R68 PolarHBondContact O-N 3.49Å; Y66-R68 VanDerWaalsContact O-N 3.1Å; Y66-L69 HydrophobicContact CD1-CD1 3.95Å; Y66-L69 HydrophobicContact CE1-CD1 4.47Å; Y66-L69 PolarHBondContact O-N 3.09Å; Y66-R70 PolarHBondContact O-N 3.32Å
67D94.7Very high95.9Very high59 Ų5958.7 Ų58.732%0.31629%0.288SS..THydrogen-bonded Turntrans-56.9-29.8-178.9-78-7.2000113E64 R70 P71E64-D67 VanDerWaalsContact O-CB 3.3Å; E64-D67 WeakPolarHBondContact O-CB 3.19Å; E64-D67 VanDerWaalsContact O-CG 3.23Å; E64-D67 PolarHBondContact O-N 3.48Å; D67-R70 IonicContact OD1-CZ 3.56Å; D67-R70 VanDerWaalsContact OD1-CZ 3.24Å; D67-R70 IonicContact OD1-NH1 2.96Å; D67-R70 PolarHBondContact OD1-NH1 3.49Å; D67-R70 IonicContact OD1-NH2 2.73Å; D67-R70 PolarHBondContact OD1-NH2 3.31Å; D67-P71 WeakPolarHBondContact O-CD 3.2Å; D67-P71 WeakPolarHBondContact O-CG 3.31Å
68R94.3Very high95.9Very high232 Ų23260 Ų6088%0.87530%0.295SS*.THydrogen-bonded Turntrans-81.2-23.3176.3-64.9-174.8179.1-177.10.9113.9Y66Y66-R68 PolarHBondContact O-N 3.49Å; Y66-R68 VanDerWaalsContact O-N 3.1Å
69L94.7Very high95.9Very high98 Ų9857 Ų5751%0.51328%0.284SS..THydrogen-bonded Turntrans-94.5-36.2-177.2-67.7176.9000112Y66 P71 L72Y66-L69 HydrophobicContact CD1-CD1 3.95Å; Y66-L69 HydrophobicContact CE1-CD1 4.47Å; Y66-L69 PolarHBondContact O-N 3.09Å; L69-P71 VanDerWaalsContact C-CD 3.4Å; L69-P71 VanDerWaalsContact C-N 3.29Å; L69-L72 HydrophobicContact CD2-CD1 4.16Å; L69-L72 VanDerWaalsContact O-CB 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.17Å; L69-L72 WeakPolarHBondContact O-CG 3.2Å; L69-L72 PolarHBondContact O-N 2.89Å
70R96.9Very high95.9Very high7 Ų757 Ų573%0.02628%0.284CS..G310 helixtrans-49.7-42.2179.4-168.4-177.6-42.6106.94.8113.1T60 A61 Q63 Y66 D67 L72 S73 Y74 E102T60-R70 HydrophobicContact CG2-CG 4.18Å; A61-R70 PolarHBondContact O-NE 2.53Å; A61-R70 PolarHBondContact O-NH2 2.71Å; Q63-R70 PolarHBondContact O-NH2 2.69Å; Y66-R70 PolarHBondContact O-N 3.32Å; D67-R70 IonicContact OD1-CZ 3.56Å; D67-R70 VanDerWaalsContact OD1-CZ 3.24Å; D67-R70 IonicContact OD1-NH1 2.96Å; D67-R70 PolarHBondContact OD1-NH1 3.49Å; D67-R70 IonicContact OD1-NH2 2.73Å; D67-R70 PolarHBondContact OD1-NH2 3.31Å; R70-L72 PolarHBondContact O-N 2.91Å; R70-L72 VanDerWaalsContact O-N 3.08Å; R70-S73 VanDerWaalsContact O-CB 3.28Å; R70-S73 WeakPolarHBondContact O-CB 3.4Å; R70-S73 PolarHBondContact O-N 3.23Å; R70-S73 PolarHBondContact O-OG 2.93Å; R70-Y74 VanDerWaalsContact CD-OH 3.32Å; R70-Y74 WeakPolarHBondContact CD-OH 2.98Å; R70-E102 WeakPolarHBondContact CD-OE1 3.48Å; R70-E102 IonicContact CZ-OE2 2.94Å; R70-E102 IonicContact NH1-OE1 3.79Å; R70-E102 PolarHBondContact NH1-OE1 3.49Å; R70-E102 IonicContact NH1-OE2 2.67Å; R70-E102 PolarHBondContact NH1-OE2 3.35Å
71P97.4Very high96Very high22 Ų2256.9 Ų56.914%0.14328%0.283CS..G310 helixtrans-62-20.2-179.5-26.937.5000115.6D67 L69 S73 Y74 P75 F106D67-P71 WeakPolarHBondContact O-CD 3.2Å; D67-P71 WeakPolarHBondContact O-CG 3.31Å; L69-P71 VanDerWaalsContact C-CD 3.4Å; L69-P71 VanDerWaalsContact C-N 3.29Å; P71-S73 PolarHBondContact O-N 3.44Å; P71-Y74 VanDerWaalsContact CA-CD2 3.45Å; P71-Y74 HydrophobicContact CB-CD2 4.01Å; P71-Y74 HydrophobicContact CB-CE2 4.24Å; P71-Y74 HydrophobicContact CG-CE2 4.35Å; P71-Y74 PolarHBondContact O-N 2.96Å; P71-Y74 VanDerWaalsContact O-N 3.1Å; P71-P75 WeakPolarHBondContact O-CD 3.32Å; P71-F106 HydrophobicContact CB-CD1 4.08Å; P71-F106 HydrophobicContact CB-CD2 4.1Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.73Å; P71-F106 HydrophobicContact CB-CG 4.28Å; P71-F106 HydrophobicContact CB-CZ 3.52Å; P71-F106 HydrophobicContact CG-CD2 4.23Å; P71-F106 HydrophobicContact CG-CE1 4.29Å; P71-F106 HydrophobicContact CG-CE2 3.55Å; P71-F106 HydrophobicContact CG-CZ 3.59Å
72L96.4Very high96.1Very high127 Ų12756.8 Ų56.867%0.66528%0.282SS*.G310 helixtrans-64.5-17.6173.8-57.5178000112.4L69 R70 P75L69-L72 HydrophobicContact CD2-CD1 4.16Å; L69-L72 VanDerWaalsContact O-CB 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.17Å; L69-L72 WeakPolarHBondContact O-CG 3.2Å; L69-L72 PolarHBondContact O-N 2.89Å; R70-L72 PolarHBondContact O-N 2.91Å; R70-L72 VanDerWaalsContact O-N 3.08Å; L72-P75 WeakPolarHBondContact O-CD 3.31Å
73S97.5Very high96.4Very high6 Ų656.3 Ų56.34%0.04228%0.277CS..G310 helixtrans-81.7-18175.4-58.10000113.4K7 V9 F39 R70 P71K7-S73 WeakPolarHBondContact CE-O 3.39Å; K7-S73 PolarHBondContact NZ-O 2.73Å; V9-S73 WeakPolarHBondContact CG2-O 3.29Å; F39-S73 WeakPolarHBondContact CE2-OG 3.28Å; R70-S73 VanDerWaalsContact O-CB 3.28Å; R70-S73 WeakPolarHBondContact O-CB 3.4Å; R70-S73 PolarHBondContact O-N 3.23Å; R70-S73 PolarHBondContact O-OG 2.93Å; P71-S73 PolarHBondContact O-N 3.44Å
74Y98.3Very high96.8Very high5 Ų553 Ų532%0.0226%0.262CS..  trans-78.8-26.4-172.2-64.5-32.2000118V9 V11 R70 P71 D76 T77 I80 E102 F106V9-Y74 HydrophobicContact CG1-CD1 3.99Å; V9-Y74 HydrophobicContact CG1-CE1 3.84Å; V11-Y74 HydrophobicContact CG1-CE1 3.78Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.47Å; R70-Y74 VanDerWaalsContact CD-OH 3.32Å; R70-Y74 WeakPolarHBondContact CD-OH 2.98Å; P71-Y74 VanDerWaalsContact CA-CD2 3.45Å; P71-Y74 HydrophobicContact CB-CD2 4.01Å; P71-Y74 HydrophobicContact CB-CE2 4.24Å; P71-Y74 HydrophobicContact CG-CE2 4.35Å; P71-Y74 PolarHBondContact O-N 2.96Å; P71-Y74 VanDerWaalsContact O-N 3.1Å; Y74-D76 PolarHBondContact O-N 3.3Å; Y74-T77 WeakPolarHBondContact O-CB 3.34Å; Y74-T77 PolarHBondContact O-N 3.03Å; Y74-T77 PolarHBondContact O-OG1 3.42Å; Y74-I80 HydrophobicContact CD1-CD1 4.4Å; Y74-I80 HydrophobicContact CE1-CD1 4.44Å; Y74-E102 HydrophobicContact CE2-CG 4.09Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.43Å; Y74-E102 PolarHBondContact OH-OE1 3.08Å; Y74-F106 HydrophobicContact CD2-CB 3.31Å; Y74-F106 HydrophobicContact CD2-CD1 4.41Å; Y74-F106 AromaticContact CD2-CD2 3.59Å; Y74-F106 HydrophobicContact CD2-CD2 3.59Å; Y74-F106 AromaticContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CE2-CB 4.12Å; Y74-F106 AromaticContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CE2 4.43Å; Y74-F106 HydrophobicContact CE2-CG 4.11Å; Y74-F106 HydrophobicContact CG-CB 3.96Å
75P97.2Very high97.1Very high75 Ų7546.9 Ų46.949%0.48723%0.233SC..THydrogen-bonded Turntrans-53.3136.4178.9-29.336.3000112.7K7 P71 L72 T77K7-P75 PolarHBondContact NZ-O 3.32Å; P71-P75 WeakPolarHBondContact O-CD 3.32Å; L72-P75 WeakPolarHBondContact O-CD 3.31Å; P75-T77 PolarHBondContact O-N 3.32Å
76D96Very high97.4Very high108 Ų10840.1 Ų40.158%0.57820%0.197SC*.THydrogen-bonded Turntrans58.422.7179.2-59.4-62000115.5Y74Y74-D76 PolarHBondContact O-N 3.3Å
77T98.4Very high97.6Very high13 Ų1338.9 Ų38.98%0.0820%0.195CC..  trans-65.8133.7175-56.30000111.6V9 Y74 P75 V79 I80 V110V9-T77 HydrophobicContact CB-CG2 4.05Å; V9-T77 HydrophobicContact CG2-CG2 3.75Å; V9-T77 VanDerWaalsContact CG2-OG1 3.24Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.28Å; Y74-T77 WeakPolarHBondContact O-CB 3.34Å; Y74-T77 PolarHBondContact O-N 3.03Å; Y74-T77 PolarHBondContact O-OG1 3.42Å; P75-T77 PolarHBondContact O-N 3.32Å; T77-V79 WeakPolarHBondContact CG2-O 3.32Å; T77-I80 HydrophobicContact CG2-CD1 3.84Å; T77-I80 HydrophobicContact CG2-CG1 4.26Å; T77-V110 HydrophobicContact CG2-CG1 4.01Å; T77-V110 WeakPolarHBondContact O-CG2 3.37Å
78D98.4Very high97.8Very high27 Ų2738 Ų3814%0.14419%0.194CC..SBendtrans-96.5-27.4177.1-68-83.8000113.2K6 K7 P111 A178K6-D78 WeakPolarHBondContact CA-OD2 3.3Å; K6-D78 HydrophobicContact CB-CB 4.41Å; K6-D78 HydrophobicContact CD-CB 3.7Å; K6-D78 WeakPolarHBondContact CD-OD1 3.34Å; K6-D78 IonicContact NZ-OD1 3.2Å; K6-D78 PolarHBondContact NZ-OD1 3.01Å; K7-D78 PolarHBondContact N-OD2 2.87Å; K7-D78 WeakPolarHBondContact O-CA 3.24Å; K7-D78 WeakPolarHBondContact O-CB 3.08Å; K7-D78 PolarHBondContact O-N 2.91Å; D78-P111 WeakPolarHBondContact O-CD 3.38Å; D78-A178 HydrophobicContact CB-CB 4.04Å
79V98.8Very high98Very high0 Ų027.9 Ų27.90%016%0.158CC..EExtended strand (participates in β ladder)trans-153.8146.6176.261.60000111.1K7 L8 V9 T77 P111 I113 A174 A177 A178K7-V79 PolarHBondContact O-N 3.13Å; L8-V79 WeakPolarHBondContact CA-O 3.27Å; L8-V79 HydrophobicContact CB-CG1 3.85Å; L8-V79 HydrophobicContact CD1-CG1 4.04Å; L8-V79 HydrophobicContact CG-CG1 3.92Å; V9-V79 PolarHBondContact N-O 2.9Å; V9-V79 VanDerWaalsContact N-O 3.16Å; T77-V79 WeakPolarHBondContact CG2-O 3.32Å; V79-P111 HydrophobicContact CB-CG 4.32Å; V79-P111 HydrophobicContact CG2-CG 4.24Å; V79-I113 HydrophobicContact CG2-CG1 4.16Å; V79-A174 HydrophobicContact CG1-CB 4.24Å; V79-A174 HydrophobicContact CG2-CB 4.04Å; V79-A177 HydrophobicContact CG2-CB 4.38Å; V79-A178 HydrophobicContact CB-CB 3.94Å; V79-A178 HydrophobicContact CG1-CB 3.91Å
80I98.9Very high98.2Very high0 Ų026.8 Ų26.80%015%0.152CC..EExtended strand (participates in β ladder)trans-107.2129.5174.2-63.6-75.8000109.4V9 V11 Y74 T77 M82 V103 V110 P111 I112 I113V9-I80 HydrophobicContact CB-CD1 3.98Å; V9-I80 HydrophobicContact CG1-CD1 4.48Å; V9-I80 WeakPolarHBondContact O-CA 3.38Å; V11-I80 HydrophobicContact CG2-CG2 3.99Å; Y74-I80 HydrophobicContact CD1-CD1 4.4Å; Y74-I80 HydrophobicContact CE1-CD1 4.44Å; T77-I80 HydrophobicContact CG2-CD1 3.84Å; T77-I80 HydrophobicContact CG2-CG1 4.26Å; I80-M82 HydrophobicContact CG2-CB 4.26Å; I80-V103 HydrophobicContact CB-CG1 4.37Å; I80-V103 HydrophobicContact CD1-CG1 4.27Å; I80-V103 HydrophobicContact CG1-CG1 3.8Å; I80-V103 HydrophobicContact CG2-CG1 4.19Å; I80-V103 HydrophobicContact CG2-CG2 4.2Å; I80-V110 HydrophobicContact CG1-CB 4.48Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; I80-P111 PolarHBondContact N-O 2.64Å; I80-I112 HydrophobicContact CB-CG1 4.13Å; I80-I112 HydrophobicContact CG2-CG1 4.38Å; I80-I112 HydrophobicContact CG2-CG2 4.48Å; I80-I113 PolarHBondContact O-N 2.87Å
81L98.9Very high98.3Very high0 Ų026.5 Ų26.50%015%0.152CC..EExtended strand (participates in β ladder)trans-92.5116.4157.3-68.3-170.5000108.2L8 V9 I10 V11 L21 I113 V115 V170 F171 A174L8-L81 HydrophobicContact CD1-CD1 3.96Å; L8-L81 HydrophobicContact CD1-CD2 4.5Å; L8-L81 HydrophobicContact CD1-CG 3.88Å; L8-L81 HydrophobicContact CD2-CB 4.41Å; L8-L81 HydrophobicContact CD2-CD1 3.94Å; L8-L81 HydrophobicContact CD2-CG 3.89Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.07Å; V9-L81 PolarHBondContact O-N 3.13Å; I10-L81 CarbonylContact C-O 3.44Å; I10-L81 VanDerWaalsContact CA-O 3.31Å; I10-L81 WeakPolarHBondContact CA-O 3.39Å; I10-L81 HydrophobicContact CB-CB 4.15Å; I10-L81 HydrophobicContact CD1-CB 4.22Å; I10-L81 HydrophobicContact CD1-CD1 4.22Å; I10-L81 HydrophobicContact CG1-CB 3.83Å; V11-L81 PolarHBondContact N-O 2.87Å; L21-L81 HydrophobicContact CD2-CD1 4.36Å; L81-I113 HydrophobicContact CD2-CB 3.71Å; L81-I113 HydrophobicContact CD2-CG1 4.09Å; L81-I113 HydrophobicContact CD2-CG2 4.25Å; L81-V115 HydrophobicContact CD2-CG2 3.97Å; L81-V170 HydrophobicContact CD1-CG1 3.9Å; L81-V170 HydrophobicContact CD2-CG1 3.94Å; L81-F171 HydrophobicContact CD1-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CZ 4.2Å; L81-A174 HydrophobicContact CD2-CB 3.78Å
82M98.9Very high98.3Very high0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-106.6114.3176.4-170.3179-73.400108.1V11 I80 I95 W99 V103 I112 I113 L114 V115 I151V11-M82 HydrophobicContact CG2-CB 4.22Å; V11-M82 HydrophobicContact CG2-CE 4.49Å; V11-M82 HydrophobicContact CG2-CG 4.06Å; I80-M82 HydrophobicContact CG2-CB 4.26Å; M82-I95 HydrophobicContact CG-CD1 3.73Å; M82-I95 HydrophobicContact SD-CD1 4.16Å; M82-I95 HydrophobicContact SD-CG2 3.74Å; M82-W99 HydrophobicContact CE-CB 4.12Å; M82-W99 HydrophobicContact CG-CB 4.09Å; M82-W99 HydrophobicContact SD-CB 3.92Å; M82-V103 HydrophobicContact CE-CB 3.83Å; M82-V103 HydrophobicContact CE-CG1 4.26Å; M82-V103 HydrophobicContact CE-CG2 3.67Å; M82-I112 HydrophobicContact CB-CG2 3.71Å; M82-I112 HydrophobicContact CE-CD1 3.99Å; M82-I112 HydrophobicContact CE-CG2 4.1Å; M82-I112 HydrophobicContact SD-CG2 4.29Å; M82-I113 PolarHBondContact N-O 2.83Å; M82-L114 HydrophobicContact CB-CD1 4.47Å; M82-L114 HydrophobicContact CG-CD1 4.44Å; M82-L114 CarbonylContact O-C 3.59Å; M82-L114 WeakPolarHBondContact O-CA 3.4Å; M82-L114 WeakPolarHBondContact O-CD1 3.39Å; M82-V115 PolarHBondContact O-N 2.93Å; M82-I151 HydrophobicContact SD-CD1 3.92Å
83C98.9Very high98.5Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-111.2136.4-167.2-66.40000112.4I10 V11 G12 K18 V115I10-C83 VanDerWaalsContact CD1-SG 3.56Å; V11-C83 PolarHBondContact O-N 2.85Å; G12-C83 VanDerWaalsContact CA-O 3.29Å; G12-C83 WeakPolarHBondContact CA-O 3.39Å; K18-C83 HydrophobicContact CG-CB 4.11Å; C83-V115 WeakPolarHBondContact CA-O 3.34Å
84F98.9Very high98.5Very high0 Ų027.1 Ų27.10%015%0.15CC..EExtended strand (participates in β ladder)trans-121.6175.2159.871.8-85.2000108.8I86 S91 L92 I95 L114 V115 G116 N117 V139 Y156F84-I86 HydrophobicContact CE2-CG1 4.16Å; F84-S91 WeakPolarHBondContact CB-O 3.3Å; F84-L92 HydrophobicContact CB-CB 4.39Å; F84-L92 HydrophobicContact CD1-CD1 3.65Å; F84-L92 HydrophobicContact CD2-CB 3.97Å; F84-L92 HydrophobicContact CD2-CD1 4.04Å; F84-L92 HydrophobicContact CE1-CD1 3.66Å; F84-L92 HydrophobicContact CE2-CB 4.49Å; F84-L92 HydrophobicContact CE2-CD1 4.09Å; F84-L92 HydrophobicContact CG-CB 4.15Å; F84-L92 HydrophobicContact CG-CD1 3.83Å; F84-L92 HydrophobicContact CZ-CD1 3.89Å; F84-I95 HydrophobicContact CB-CD1 4.21Å; F84-I95 HydrophobicContact CB-CG1 4.22Å; F84-L114 HydrophobicContact CD1-CD1 3.98Å; F84-L114 HydrophobicContact CD1-CG 4.19Å; F84-L114 HydrophobicContact CE1-CD1 4.31Å; F84-L114 HydrophobicContact CE1-CD2 4.16Å; F84-L114 HydrophobicContact CE1-CG 4.01Å; F84-V115 WeakPolarHBondContact CD1-O 3.36Å; F84-V115 PolarHBondContact N-O 2.84Å; F84-G116 VanDerWaalsContact CZ-CA 3.41Å; F84-N117 WeakPolarHBondContact O-CB 3.13Å; F84-N117 PolarHBondContact O-N 2.96Å; F84-V139 HydrophobicContact CD2-CG2 4.39Å; F84-V139 HydrophobicContact CE2-CB 3.99Å; F84-V139 HydrophobicContact CE2-CG1 3.7Å; F84-V139 HydrophobicContact CE2-CG2 4.11Å; F84-V139 HydrophobicContact CZ-CG1 4.16Å; F84-Y156 AromaticContact CE1-CE2 3.77Å; F84-Y156 HydrophobicContact CE1-CE2 3.77Å; F84-Y156 AromaticContact CZ-CE2 3.9Å; F84-Y156 HydrophobicContact CZ-CE2 3.9Å
85S98.9Very high98.5Very high1 Ų126.9 Ų26.91%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-117133.3178.6-157.20000111.2D87 S88 S91 K118S85-D87 WeakPolarHBondContact CB-OD1 3.42Å; S85-D87 PolarHBondContact O-N 2.7Å; S85-D87 PolarHBondContact OG-OD1 2.86Å; S85-S88 CarbonylContact O-C 3.58Å; S85-S88 PolarHBondContact O-N 2.77Å; S85-S88 VanDerWaalsContact O-O 3.09Å; S85-S91 PolarHBondContact N-OG 2.92Å; S85-S91 PolarHBondContact O-OG 2.94Å; S85-K118 WeakPolarHBondContact OG-CD 3.41Å; S85-K118 WeakPolarHBondContact OG-CE 3.3Å; S85-K118 WeakPolarHBondContact OG-CG 3.36Å; S85-K118 PolarHBondContact OG-NZ 3.21Å; S85-K118 VanDerWaalsContact OG-NZ 3.14Å
86I98.9Very high98.6Very high0 Ų024.5 Ų24.50%013%0.134CC..THydrogen-bonded Turntrans-64.6-28.4-177-73.8162.5000112.1F84 S88 N117 K119 R122 P138 V139 E158F84-I86 HydrophobicContact CE2-CG1 4.16Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.26Å; I86-N117 WeakPolarHBondContact CB-O 3.3Å; I86-N117 WeakPolarHBondContact CG1-O 3.38Å; I86-N117 PolarHBondContact N-O 2.71Å; I86-K119 VanDerWaalsContact CD1-CA 3.44Å; I86-K119 HydrophobicContact CD1-CB 3.8Å; I86-K119 HydrophobicContact CD1-CG 4.23Å; I86-R122 VanDerWaalsContact CD1-NH2 3.29Å; I86-R122 HydrophobicContact CG2-CB 3.89Å; I86-R122 HydrophobicContact CG2-CG 4.46Å; I86-P138 HydrophobicContact CG2-CB 4.08Å; I86-P138 CarbonylContact O-C 3.55Å; I86-P138 VanDerWaalsContact O-CA 3.25Å; I86-P138 WeakPolarHBondContact O-CA 3.2Å; I86-V139 PolarHBondContact O-N 3.43Å; I86-E158 HydrophobicContact CD1-CB 4.34Å; I86-E158 HydrophobicContact CD1-CG 4.23Å
87D98.6Very high98.7Very high37 Ų3726 Ų2620%0.19814%0.137CC..THydrogen-bonded Turntrans-81.33.9173.669.1-26000114.1S85 K118 L121 T127S85-D87 WeakPolarHBondContact CB-OD1 3.42Å; S85-D87 PolarHBondContact O-N 2.7Å; S85-D87 PolarHBondContact OG-OD1 2.86Å; D87-K118 WeakPolarHBondContact OD1-CD 3.34Å; D87-K118 IonicContact OD1-NZ 3.24Å; D87-K118 PolarHBondContact OD1-NZ 3.46Å; D87-K118 IonicContact OD2-NZ 2.7Å; D87-K118 PolarHBondContact OD2-NZ 2.9Å; D87-L121 HydrophobicContact CB-CB 4.07Å; D87-L121 HydrophobicContact CB-CD1 3.75Å; D87-L121 VanDerWaalsContact OD2-CD1 3.29Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.45Å; D87-T127 HydrophobicContact CB-CG2 3.59Å
88S98.6Very high98.7Very high41 Ų4127.1 Ų27.129%0.28714%0.141SC..BIsolated β-bridgetrans-14089.4-178.2179.20000110.6S85 I86 D90 S91S85-S88 CarbonylContact O-C 3.58Å; S85-S88 PolarHBondContact O-N 2.77Å; S85-S88 VanDerWaalsContact O-O 3.09Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.26Å; S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 2.89Å; S88-S91 WeakPolarHBondContact O-CB 3.46Å; S88-S91 PolarHBondContact O-N 2.78Å; S88-S91 PolarHBondContact O-OG 3.34Å
89P98.7Very high98.7Very high19 Ų1925.9 Ų25.912%0.12313%0.134CC..Hα-helixtrans-54.6-39.8177.9-29.939.5000113.7S91 L92 E93 L131 Q136 E137 V139P89-S91 PolarHBondContact O-N 2.99Å; P89-S91 VanDerWaalsContact O-N 3.15Å; P89-L92 WeakPolarHBondContact O-CA 3.42Å; P89-L92 WeakPolarHBondContact O-CB 3.16Å; P89-L92 PolarHBondContact O-N 3.42Å; P89-E93 PolarHBondContact O-N 3.5Å; P89-E93 VanDerWaalsContact O-N 3.15Å; P89-L131 HydrophobicContact CG-CD2 4.46Å; P89-Q136 HydrophobicContact CG-CB 4.22Å; P89-Q136 HydrophobicContact CG-CG 4.46Å; P89-E137 WeakPolarHBondContact CG-O 3.49Å; P89-V139 HydrophobicContact CB-CG2 4.46Å; P89-V139 HydrophobicContact CG-CG2 4.42Å
90D98.4Very high98.7Very high74 Ų7426.3 Ų26.340%0.39614%0.137SC..Hα-helixtrans-54.3-36.4175.9-56.6-0.5000112S88 L92 E93 N94 Q136S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 2.89Å; D90-L92 VanDerWaalsContact C-N 3.25Å; D90-L92 PolarHBondContact O-N 3.49Å; D90-E93 WeakPolarHBondContact O-CB 3.28Å; D90-E93 PolarHBondContact O-N 2.96Å; D90-E93 VanDerWaalsContact O-N 3.12Å; D90-N94 PolarHBondContact O-N 3.46Å; D90-N94 PolarHBondContact O-ND2 3.08Å; D90-Q136 PolarHBondContact OD1-NE2 3.07Å
91S98.8Very high98.7Very high2 Ų229.7 Ų29.71%0.01416%0.159CC..Hα-helixtrans-68.5-23.2178.574.50000113.7D13 F84 S85 S88 P89 I95D13-S91 VanDerWaalsContact OD2-CA 3.28Å; D13-S91 WeakPolarHBondContact OD2-CA 3.33Å; D13-S91 WeakPolarHBondContact OD2-CB 3.32Å; F84-S91 WeakPolarHBondContact CB-O 3.3Å; S85-S91 PolarHBondContact N-OG 2.92Å; S85-S91 PolarHBondContact O-OG 2.94Å; S88-S91 WeakPolarHBondContact O-CB 3.46Å; S88-S91 PolarHBondContact O-N 2.78Å; S88-S91 PolarHBondContact O-OG 3.34Å; P89-S91 PolarHBondContact O-N 2.99Å; P89-S91 VanDerWaalsContact O-N 3.15Å; S91-I95 WeakPolarHBondContact O-CG1 3.42Å
92L98.9Very high98.6Very high13 Ų1330.9 Ų30.97%0.06817%0.165CC..Hα-helixtrans-77.5-40.7169.1-17870.3000110.7F84 P89 D90 N94 I95 P96 V139 E143 M147F84-L92 HydrophobicContact CB-CB 4.39Å; F84-L92 HydrophobicContact CD1-CD1 3.65Å; F84-L92 HydrophobicContact CD2-CB 3.97Å; F84-L92 HydrophobicContact CD2-CD1 4.04Å; F84-L92 HydrophobicContact CE1-CD1 3.66Å; F84-L92 HydrophobicContact CE2-CB 4.49Å; F84-L92 HydrophobicContact CE2-CD1 4.09Å; F84-L92 HydrophobicContact CG-CB 4.15Å; F84-L92 HydrophobicContact CG-CD1 3.83Å; F84-L92 HydrophobicContact CZ-CD1 3.89Å; P89-L92 WeakPolarHBondContact O-CA 3.42Å; P89-L92 WeakPolarHBondContact O-CB 3.16Å; P89-L92 PolarHBondContact O-N 3.42Å; D90-L92 VanDerWaalsContact C-N 3.25Å; D90-L92 PolarHBondContact O-N 3.49Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 2.91Å; L92-I95 HydrophobicContact CD1-CG1 4.37Å; L92-I95 WeakPolarHBondContact O-CB 3.43Å; L92-I95 VanDerWaalsContact O-CG1 3.32Å; L92-I95 WeakPolarHBondContact O-CG1 3.49Å; L92-I95 PolarHBondContact O-N 2.85Å; L92-I95 VanDerWaalsContact O-N 3.07Å; L92-P96 WeakPolarHBondContact O-CD 3.42Å; L92-V139 HydrophobicContact CB-CG2 4.39Å; L92-V139 HydrophobicContact CD2-CG1 3.77Å; L92-V139 HydrophobicContact CD2-CG2 4.35Å; L92-E143 HydrophobicContact CD2-CB 4.13Å; L92-M147 HydrophobicContact CD1-CB 3.79Å; L92-M147 HydrophobicContact CD1-CE 4.41Å; L92-M147 HydrophobicContact CD1-CG 3.75Å; L92-M147 HydrophobicContact CG-CB 4.47Å; L92-M147 HydrophobicContact CG-CE 4.07Å; L92-M147 HydrophobicContact CG-CG 4.41Å
93E98.6Very high98.6Very high108 Ų10830.9 Ų30.951%0.50517%0.165SC..Hα-helixtrans-61.5-35.7177.7-64.3-178.9175.800111.9P89 D90 I95 P96 E97P89-E93 PolarHBondContact O-N 3.5Å; P89-E93 VanDerWaalsContact O-N 3.15Å; D90-E93 WeakPolarHBondContact O-CB 3.28Å; D90-E93 PolarHBondContact O-N 2.96Å; D90-E93 VanDerWaalsContact O-N 3.12Å; E93-I95 PolarHBondContact O-N 3.49Å; E93-P96 WeakPolarHBondContact O-CD 3.49Å; E93-P96 WeakPolarHBondContact O-CG 3.42Å; E93-E97 WeakPolarHBondContact O-CG 3.2Å
94N98.8Very high98.6Very high47 Ų4735.9 Ų35.925%0.25119%0.186SC..Hα-helixtrans-68-15.6175.6-72.5-27.9000113.9D13 D90 L92 E97 K98 W99D13-N94 PolarHBondContact OD2-ND2 3.45Å; D90-N94 PolarHBondContact O-N 3.46Å; D90-N94 PolarHBondContact O-ND2 3.08Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 2.91Å; N94-E97 PolarHBondContact O-N 2.91Å; N94-K98 WeakPolarHBondContact O-CB 3.49Å; N94-K98 PolarHBondContact O-N 3.22Å; N94-W99 PolarHBondContact O-N 3.28Å
95I98.8Very high98.5Very high0 Ų042.5 Ų42.50%022%0.217CC..Iπ-helixtrans-59.2-56.7-179.8-64.9-69.4000111.9M82 F84 S91 L92 E93 W99 T100 L114 M147 I151M82-I95 HydrophobicContact CG-CD1 3.73Å; M82-I95 HydrophobicContact SD-CD1 4.16Å; M82-I95 HydrophobicContact SD-CG2 3.74Å; F84-I95 HydrophobicContact CB-CD1 4.21Å; F84-I95 HydrophobicContact CB-CG1 4.22Å; S91-I95 WeakPolarHBondContact O-CG1 3.42Å; L92-I95 HydrophobicContact CD1-CG1 4.37Å; L92-I95 WeakPolarHBondContact O-CB 3.43Å; L92-I95 VanDerWaalsContact O-CG1 3.32Å; L92-I95 WeakPolarHBondContact O-CG1 3.49Å; L92-I95 PolarHBondContact O-N 2.85Å; L92-I95 VanDerWaalsContact O-N 3.07Å; E93-I95 PolarHBondContact O-N 3.49Å; I95-W99 PolarHBondContact O-N 3.37Å; I95-T100 WeakPolarHBondContact O-CB 3.35Å; I95-T100 PolarHBondContact O-N 3.06Å; I95-T100 PolarHBondContact O-OG1 3.18Å; I95-L114 HydrophobicContact CD1-CD1 3.8Å; I95-L114 HydrophobicContact CG1-CD1 4.07Å; I95-L114 HydrophobicContact CG2-CD1 3.87Å; I95-M147 HydrophobicContact CB-CG 4.22Å; I95-M147 HydrophobicContact CG2-CG 3.89Å; I95-M147 HydrophobicContact CG2-SD 4.34Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.07Å
96P98.6Very high98.5Very high24 Ų2447 Ų4716%0.15624%0.236CC..Iπ-helixtrans-76.4-25.3177.429.6-37.3000113.2L92 E93 P101 M147 I151L92-P96 WeakPolarHBondContact O-CD 3.42Å; E93-P96 WeakPolarHBondContact O-CD 3.49Å; E93-P96 WeakPolarHBondContact O-CG 3.42Å; P96-P101 WeakPolarHBondContact O-CD 3.45Å; P96-P101 WeakPolarHBondContact O-CG 3.47Å; P96-M147 HydrophobicContact CB-SD 4.26Å; P96-M147 VanDerWaalsContact CD-SD 3.5Å; P96-M147 HydrophobicContact CG-CE 3.82Å; P96-M147 HydrophobicContact CG-SD 3.76Å; P96-I151 HydrophobicContact CB-CG2 4.33Å
97E97.8Very high98.4Very high140 Ų14047.3 Ų47.365%0.65424%0.239SC*.Iπ-helixtrans-82.4-36.3-173.8-64.9-172.3175.900113.1E93 N94E93-E97 WeakPolarHBondContact O-CG 3.2Å; N94-E97 PolarHBondContact O-N 2.91Å
98K97.9Very high98.2Very high37 Ų3749.8 Ų49.816%0.16126%0.257CS..Iπ-helixtrans-121.5-59.8-173.4178.5177.5-177.7169.50112.6E64 N94 P101 E102E64-K98 IonicContact OE1-NZ 3.76Å; E64-K98 PolarHBondContact OE1-NZ 3.46Å; N94-K98 WeakPolarHBondContact O-CB 3.49Å; N94-K98 PolarHBondContact O-N 3.22Å; K98-P101 WeakPolarHBondContact O-CD 3.25Å; K98-E102 PolarHBondContact O-N 3.36Å
99W98.7Very high97.9Very high0 Ų054.7 Ų54.70%028%0.28CS..Iπ-helixtrans-71.5-40.7-168-62109.5000113.1V11 G12 D13 M82 N94 I95 V103V11-W99 HydrophobicContact CB-CE3 3.88Å; V11-W99 HydrophobicContact CB-CZ3 4.13Å; V11-W99 HydrophobicContact CG2-CE3 4.25Å; G12-W99 WeakPolarHBondContact O-CH2 3.36Å; G12-W99 WeakPolarHBondContact O-CZ2 3.37Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.19Å; D13-W99 PolarHBondContact OD1-NE1 3.45Å; M82-W99 HydrophobicContact CE-CB 4.12Å; M82-W99 HydrophobicContact CG-CB 4.09Å; M82-W99 HydrophobicContact SD-CB 3.92Å; N94-W99 PolarHBondContact O-N 3.28Å; I95-W99 PolarHBondContact O-N 3.37Å; W99-V103 WeakPolarHBondContact O-CB 3.45Å; W99-V103 WeakPolarHBondContact O-CG2 3.42Å; W99-V103 PolarHBondContact O-N 3.41Å
100T98.7Very high97.9Very high10 Ų1055.2 Ų55.26%0.06128%0.283CS..Hα-helixtrans-66.5-48179.7-60.90000112.3I95 E102 V103 K104 I151I95-T100 WeakPolarHBondContact O-CB 3.35Å; I95-T100 PolarHBondContact O-N 3.06Å; I95-T100 PolarHBondContact O-OG1 3.18Å; T100-E102 PolarHBondContact O-N 2.99Å; T100-V103 PolarHBondContact O-N 3.34Å; T100-K104 HydrophobicContact CG2-CD 3.78Å; T100-K104 HydrophobicContact CG2-CG 4.22Å; T100-K104 VanDerWaalsContact O-CB 3.3Å; T100-K104 WeakPolarHBondContact O-CB 3.29Å; T100-K104 WeakPolarHBondContact O-CG 3.37Å; T100-K104 PolarHBondContact O-N 2.9Å; T100-I151 HydrophobicContact CG2-CB 3.99Å; T100-I151 HydrophobicContact CG2-CG2 4.14Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.42Å
101P98.4Very high97.9Very high70 Ų7052.6 Ų52.646%0.45527%0.27SS..Hα-helixtrans-56.4-45.8173.9-28.736.2000113.3P96 K98 K104 H105P96-P101 WeakPolarHBondContact O-CD 3.45Å; P96-P101 WeakPolarHBondContact O-CG 3.47Å; K98-P101 WeakPolarHBondContact O-CD 3.25Å; P101-K104 PolarHBondContact O-N 3.34Å; P101-H105 WeakPolarHBondContact O-CB 3.39Å; P101-H105 PolarHBondContact O-N 2.95Å
102E98.4Very high97.9Very high26 Ų2653.1 Ų53.112%0.12127%0.272CS..Hα-helixtrans-62.4-52.2179.3-173.4-177.1132.900111.5R70 Y74 K98 T100 K104 H105 F106R70-E102 WeakPolarHBondContact CD-OE1 3.48Å; R70-E102 IonicContact CZ-OE2 2.94Å; R70-E102 IonicContact NH1-OE1 3.79Å; R70-E102 PolarHBondContact NH1-OE1 3.49Å; R70-E102 IonicContact NH1-OE2 2.67Å; R70-E102 PolarHBondContact NH1-OE2 3.35Å; Y74-E102 HydrophobicContact CE2-CG 4.09Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.43Å; Y74-E102 PolarHBondContact OH-OE1 3.08Å; K98-E102 PolarHBondContact O-N 3.36Å; T100-E102 PolarHBondContact O-N 2.99Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 2.89Å; E102-H105 WeakPolarHBondContact O-CB 3.2Å; E102-H105 PolarHBondContact O-N 3.42Å; E102-H105 VanDerWaalsContact O-N 3.13Å; E102-F106 HydrophobicContact CG-CD2 3.96Å; E102-F106 HydrophobicContact CG-CE2 3.99Å; E102-F106 VanDerWaalsContact O-CD2 3.29Å; E102-F106 WeakPolarHBondContact O-CD2 3.49Å; E102-F106 PolarHBondContact O-N 2.92Å; E102-F106 VanDerWaalsContact O-N 3.14Å
103V98.5Very high97.9Very high0 Ų052.5 Ų52.50%027%0.269CS..Hα-helixtrans-62.7-41.8-179.6170.30000111.1V11 I80 M82 W99 T100 H105 F106 C107 I112V11-V103 HydrophobicContact CG2-CG2 3.87Å; I80-V103 HydrophobicContact CB-CG1 4.37Å; I80-V103 HydrophobicContact CD1-CG1 4.27Å; I80-V103 HydrophobicContact CG1-CG1 3.8Å; I80-V103 HydrophobicContact CG2-CG1 4.19Å; I80-V103 HydrophobicContact CG2-CG2 4.2Å; M82-V103 HydrophobicContact CE-CB 3.83Å; M82-V103 HydrophobicContact CE-CG1 4.26Å; M82-V103 HydrophobicContact CE-CG2 3.67Å; W99-V103 WeakPolarHBondContact O-CB 3.45Å; W99-V103 WeakPolarHBondContact O-CG2 3.42Å; W99-V103 PolarHBondContact O-N 3.41Å; T100-V103 PolarHBondContact O-N 3.34Å; V103-H105 VanDerWaalsContact C-N 3.26Å; V103-H105 PolarHBondContact O-N 2.95Å; V103-F106 PolarHBondContact O-N 3.31Å; V103-C107 HydrophobicContact CG1-CB 4.15Å; V103-C107 CarbonylContact O-C 3.53Å; V103-C107 VanDerWaalsContact O-CA 3.25Å; V103-C107 WeakPolarHBondContact O-CA 3.38Å; V103-C107 VanDerWaalsContact O-CB 3.24Å; V103-C107 WeakPolarHBondContact O-CB 3.42Å; V103-C107 PolarHBondContact O-N 2.81Å; V103-I112 HydrophobicContact CG1-CD1 3.77Å; V103-I112 HydrophobicContact CG1-CG1 4Å
104K97.8Very high97.9Very high105 Ų10547.3 Ų47.346%0.45725%0.245SC..Hα-helixtrans-67.3-27.6177.8-73.8-175.6177.6175.30112.7T100 P101 E102 P108 I151T100-K104 HydrophobicContact CG2-CD 3.78Å; T100-K104 HydrophobicContact CG2-CG 4.22Å; T100-K104 VanDerWaalsContact O-CB 3.3Å; T100-K104 WeakPolarHBondContact O-CB 3.29Å; T100-K104 WeakPolarHBondContact O-CG 3.37Å; T100-K104 PolarHBondContact O-N 2.9Å; P101-K104 PolarHBondContact O-N 3.34Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 2.89Å; K104-P108 WeakPolarHBondContact O-CA 3.24Å; K104-P108 WeakPolarHBondContact O-CB 3.36Å; K104-I151 WeakPolarHBondContact CE-O 3.22Å; K104-I151 PolarHBondContact NZ-O 2.9Å
105H97.8Very high97.9Very high139 Ų13945.1 Ų45.164%0.64423%0.233SC*.Hα-helixtrans-68.7-49.2174.8-179.179.4000111.9P101 E102 V103P101-H105 WeakPolarHBondContact O-CB 3.39Å; P101-H105 PolarHBondContact O-N 2.95Å; E102-H105 WeakPolarHBondContact O-CB 3.2Å; E102-H105 PolarHBondContact O-N 3.42Å; E102-H105 VanDerWaalsContact O-N 3.13Å; V103-H105 VanDerWaalsContact C-N 3.26Å; V103-H105 PolarHBondContact O-N 2.95Å
106F98Very high97.9Very high94 Ų9445.1 Ų45.141%0.41223%0.233SC..Hα-helixtrans-90.5-26.1-174.9-65.8-73.1000114.4P71 Y74 E102 V103 P108P71-F106 HydrophobicContact CB-CD1 4.08Å; P71-F106 HydrophobicContact CB-CD2 4.1Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.73Å; P71-F106 HydrophobicContact CB-CG 4.28Å; P71-F106 HydrophobicContact CB-CZ 3.52Å; P71-F106 HydrophobicContact CG-CD2 4.23Å; P71-F106 HydrophobicContact CG-CE1 4.29Å; P71-F106 HydrophobicContact CG-CE2 3.55Å; P71-F106 HydrophobicContact CG-CZ 3.59Å; Y74-F106 HydrophobicContact CD2-CB 3.31Å; Y74-F106 HydrophobicContact CD2-CD1 4.41Å; Y74-F106 AromaticContact CD2-CD2 3.59Å; Y74-F106 HydrophobicContact CD2-CD2 3.59Å; Y74-F106 AromaticContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CE2-CB 4.12Å; Y74-F106 AromaticContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CE2 4.43Å; Y74-F106 HydrophobicContact CE2-CG 4.11Å; Y74-F106 HydrophobicContact CG-CB 3.96Å; E102-F106 HydrophobicContact CG-CD2 3.96Å; E102-F106 HydrophobicContact CG-CE2 3.99Å; E102-F106 VanDerWaalsContact O-CD2 3.29Å; E102-F106 WeakPolarHBondContact O-CD2 3.49Å; E102-F106 PolarHBondContact O-N 2.92Å; E102-F106 VanDerWaalsContact O-N 3.14Å; V103-F106 PolarHBondContact O-N 3.31Å; F106-P108 VanDerWaalsContact C-CD 3.46Å
107C97.2Very high97.9Very high7 Ų744.2 Ų44.25%0.04723%0.227CC..  trans-129.152.4-173.1-63.80000112.4V103 N109 V110V103-C107 HydrophobicContact CG1-CB 4.15Å; V103-C107 CarbonylContact O-C 3.53Å; V103-C107 VanDerWaalsContact O-CA 3.25Å; V103-C107 WeakPolarHBondContact O-CA 3.38Å; V103-C107 VanDerWaalsContact O-CB 3.24Å; V103-C107 WeakPolarHBondContact O-CB 3.42Å; V103-C107 PolarHBondContact O-N 2.81Å; C107-N109 PolarHBondContact O-N 2.8Å; C107-V110 HydrophobicContact CB-CB 3.83Å; C107-V110 HydrophobicContact CB-CG2 3.63Å; C107-V110 PolarHBondContact O-N 3.18Å; C107-V110 VanDerWaalsContact O-N 3.09Å
108P94.3Very high98Very high90 Ų9040.1 Ų40.158%0.58421%0.207SC*.THydrogen-bonded Turntrans-60.2-22.4-16622.8-35.4000116K104 F106K104-P108 WeakPolarHBondContact O-CA 3.24Å; K104-P108 WeakPolarHBondContact O-CB 3.36Å; F106-P108 VanDerWaalsContact C-CD 3.46Å
109N93.1Very high98Very high143 Ų14341.6 Ų41.677%0.76521%0.213SC*.THydrogen-bonded Turntrans-119.111.8-178-59.1-61.2000113.1C107C107-N109 PolarHBondContact O-N 2.8Å
110V98Very high98Very high30 Ų3044 Ų4418%0.18223%0.226CC..SBendtrans-89129.3-178.8-178.40000108.5T77 I80 C107T77-V110 HydrophobicContact CG2-CG1 4.01Å; T77-V110 WeakPolarHBondContact O-CG2 3.37Å; I80-V110 HydrophobicContact CG1-CB 4.48Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; C107-V110 HydrophobicContact CB-CB 3.83Å; C107-V110 HydrophobicContact CB-CG2 3.63Å; C107-V110 PolarHBondContact O-N 3.18Å; C107-V110 VanDerWaalsContact O-N 3.09Å
111P98.5Very high98Very high20 Ų2044.9 Ų44.913%0.1323%0.23CC..  trans-62.8138.9177.126.3-34.2000111D78 V79 I80 F154 A177 A181D78-P111 WeakPolarHBondContact O-CD 3.38Å; V79-P111 HydrophobicContact CB-CG 4.32Å; V79-P111 HydrophobicContact CG2-CG 4.24Å; I80-P111 PolarHBondContact N-O 2.64Å; P111-F154 HydrophobicContact CB-CB 4.1Å; P111-F154 HydrophobicContact CB-CD2 4.44Å; P111-F154 HydrophobicContact CB-CG 4.46Å; P111-A177 HydrophobicContact CB-CB 3.96Å; P111-A177 HydrophobicContact CG-CB 4Å; P111-A181 HydrophobicContact CG-CB 4.23Å
112I98.9Very high98Very high12 Ų1243.2 Ų43.26%0.06222%0.215CC..EExtended strand (participates in β ladder)trans-107.4128.8176.6-62.1166.4000108.3I80 M82 V103 I151 A153 F154I80-I112 HydrophobicContact CB-CG1 4.13Å; I80-I112 HydrophobicContact CG2-CG1 4.38Å; I80-I112 HydrophobicContact CG2-CG2 4.48Å; M82-I112 HydrophobicContact CB-CG2 3.71Å; M82-I112 HydrophobicContact CE-CD1 3.99Å; M82-I112 HydrophobicContact CE-CG2 4.1Å; M82-I112 HydrophobicContact SD-CG2 4.29Å; V103-I112 HydrophobicContact CG1-CD1 3.77Å; V103-I112 HydrophobicContact CG1-CG1 4Å; I112-I151 HydrophobicContact CG2-CD1 4.34Å; I112-A153 HydrophobicContact CG2-CB 4.43Å; I112-A153 CarbonylContact O-C 3.46Å; I112-A153 WeakPolarHBondContact O-CA 3.29Å; I112-A153 WeakPolarHBondContact O-CB 3.3Å; I112-F154 PolarHBondContact O-N 3.15Å
113I98.9Very high98Very high0 Ų047.5 Ų47.50%024%0.239CC..EExtended strand (participates in β ladder)trans-100.9120.8162.6-48.6-54.2000107.2V79 I80 L81 M82 V115 F154 M173 A174 A177V79-I113 HydrophobicContact CG2-CG1 4.16Å; I80-I113 PolarHBondContact O-N 2.87Å; L81-I113 HydrophobicContact CD2-CB 3.71Å; L81-I113 HydrophobicContact CD2-CG1 4.09Å; L81-I113 HydrophobicContact CD2-CG2 4.25Å; M82-I113 PolarHBondContact N-O 2.83Å; I113-V115 HydrophobicContact CG2-CG2 4.05Å; I113-F154 HydrophobicContact CD1-CB 3.92Å; I113-F154 HydrophobicContact CD1-CD1 3.6Å; I113-F154 HydrophobicContact CD1-CG 4.14Å; I113-M173 HydrophobicContact CD1-CG 3.84Å; I113-M173 HydrophobicContact CD1-SD 4.1Å; I113-M173 HydrophobicContact CG1-CG 4.47Å; I113-M173 HydrophobicContact CG2-CG 4.49Å; I113-M173 HydrophobicContact CG2-SD 3.92Å; I113-A174 HydrophobicContact CG1-CB 4.04Å; I113-A177 HydrophobicContact CD1-CB 4.04Å
114L99Very high98Very high0 Ų050.3 Ų50.30%025%0.254CS..EExtended strand (participates in β ladder)trans-80.8129.9170.9-174.667.7000108.7M82 F84 I95 G144 M147 A148 I151 A153 G155 Y156 M157M82-L114 HydrophobicContact CB-CD1 4.47Å; M82-L114 HydrophobicContact CG-CD1 4.44Å; M82-L114 CarbonylContact O-C 3.59Å; M82-L114 WeakPolarHBondContact O-CA 3.4Å; M82-L114 WeakPolarHBondContact O-CD1 3.39Å; F84-L114 HydrophobicContact CD1-CD1 3.98Å; F84-L114 HydrophobicContact CD1-CG 4.19Å; F84-L114 HydrophobicContact CE1-CD1 4.31Å; F84-L114 HydrophobicContact CE1-CD2 4.16Å; F84-L114 HydrophobicContact CE1-CG 4.01Å; I95-L114 HydrophobicContact CD1-CD1 3.8Å; I95-L114 HydrophobicContact CG1-CD1 4.07Å; I95-L114 HydrophobicContact CG2-CD1 3.87Å; L114-G144 WeakPolarHBondContact CD2-O 3.12Å; L114-M147 HydrophobicContact CD2-CB 3.86Å; L114-M147 HydrophobicContact CD2-CG 3.9Å; L114-A148 HydrophobicContact CB-CB 4.15Å; L114-A148 HydrophobicContact CD2-CB 3.89Å; L114-I151 HydrophobicContact CD1-CD1 4.34Å; L114-A153 HydrophobicContact CB-CB 4.35Å; L114-G155 PolarHBondContact N-O 2.96Å; L114-Y156 HydrophobicContact CB-CD2 4.19Å; L114-Y156 HydrophobicContact CD2-CD2 4.12Å; L114-Y156 HydrophobicContact CG-CD2 4.11Å; L114-Y156 WeakPolarHBondContact O-CA 3.24Å; L114-Y156 WeakPolarHBondContact O-CD2 3.08Å; L114-M157 PolarHBondContact O-N 2.89Å
115V99Very high98Very high0 Ų052.1 Ų52.10%026%0.264CS..EExtended strand (participates in β ladder)trans-125.1120.3-176.7-173.50000110.7L21 L81 M82 C83 F84 I113 N117 M157 V170L21-V115 HydrophobicContact CD2-CG1 4.24Å; L81-V115 HydrophobicContact CD2-CG2 3.97Å; M82-V115 PolarHBondContact O-N 2.93Å; C83-V115 WeakPolarHBondContact CA-O 3.34Å; F84-V115 WeakPolarHBondContact CD1-O 3.36Å; F84-V115 PolarHBondContact N-O 2.84Å; I113-V115 HydrophobicContact CG2-CG2 4.05Å; V115-N117 WeakPolarHBondContact CG1-OD1 3.42Å; V115-M157 CarbonylContact C-O 3.43Å; V115-M157 VanDerWaalsContact CA-O 3.3Å; V115-M157 WeakPolarHBondContact CA-O 3.32Å; V115-V170 HydrophobicContact CG1-CG1 4.35Å; V115-V170 HydrophobicContact CG1-CG2 4.01Å; V115-V170 HydrophobicContact CG2-CG1 3.81Å; V115-V170 HydrophobicContact CG2-CG2 4.49Å
116G99Very high98Very high0 Ų050.5 Ų50.50%026%0.256CS..EExtended strand (participates in β ladder)trans-87.5102.716800000110.7F84 M157 E158 C159F84-G116 VanDerWaalsContact CZ-CA 3.41Å; G116-M157 PolarHBondContact N-O 2.94Å; G116-E158 VanDerWaalsContact O-CA 3.29Å; G116-E158 WeakPolarHBondContact O-CA 3.4Å; G116-C159 PolarHBondContact O-N 3.49Å
117N98.9Very high98Very high5 Ų546.9 Ų46.93%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-80.8167.4178.3-72.8-23.7000112.1C16 F84 I86 V115 K119 C159C16-N117 WeakPolarHBondContact O-CB 3.49Å; C16-N117 PolarHBondContact O-ND2 2.88Å; F84-N117 WeakPolarHBondContact O-CB 3.13Å; F84-N117 PolarHBondContact O-N 2.96Å; I86-N117 WeakPolarHBondContact CB-O 3.3Å; I86-N117 WeakPolarHBondContact CG1-O 3.38Å; I86-N117 PolarHBondContact N-O 2.71Å; V115-N117 WeakPolarHBondContact CG1-OD1 3.42Å; N117-K119 VanDerWaalsContact C-N 3.32Å; N117-K119 PolarHBondContact O-N 3.47Å; N117-C159 CarbonylContact C-O 3.46Å; N117-C159 PolarHBondContact OD1-SG 3.45Å; N117-C159 VanDerWaalsContact OD1-SG 3.41Å
118K98.7Very high98.1Very high54 Ų5452.1 Ų52.124%0.23526%0.261CS..  trans58.240.9176.5-47.2-170.2-153.6152.40113.2A15 S85 D87 D120 L121 C159A15-K118 VanDerWaalsContact O-CE 3.3Å; A15-K118 WeakPolarHBondContact O-CE 3.34Å; A15-K118 PolarHBondContact O-NZ 2.78Å; A15-K118 VanDerWaalsContact O-NZ 3.14Å; S85-K118 WeakPolarHBondContact OG-CD 3.41Å; S85-K118 WeakPolarHBondContact OG-CE 3.3Å; S85-K118 WeakPolarHBondContact OG-CG 3.36Å; S85-K118 PolarHBondContact OG-NZ 3.21Å; S85-K118 VanDerWaalsContact OG-NZ 3.14Å; D87-K118 WeakPolarHBondContact OD1-CD 3.34Å; D87-K118 IonicContact OD1-NZ 3.24Å; D87-K118 PolarHBondContact OD1-NZ 3.46Å; D87-K118 IonicContact OD2-NZ 2.7Å; D87-K118 PolarHBondContact OD2-NZ 2.9Å; K118-D120 PolarHBondContact O-N 2.8Å; K118-D120 VanDerWaalsContact O-N 3.11Å; K118-L121 HydrophobicContact CB-CD1 3.88Å; K118-L121 HydrophobicContact CB-CG 4.15Å; K118-L121 HydrophobicContact CD-CD1 3.75Å; K118-L121 HydrophobicContact CG-CD1 4.45Å; K118-L121 WeakPolarHBondContact O-CB 3.44Å; K118-L121 PolarHBondContact O-N 2.91Å; K118-C159 PolarHBondContact N-O 2.76Å; K118-C159 VanDerWaalsContact N-O 3.09Å
119K98.9Very high98.3Very high68 Ų6855 Ų5530%0.29626%0.26SS..G310 helixtrans-53.8-30.1178.7-175.6-174.3172.2-1630114I86 N117 L121 R122 E158 C159 D165I86-K119 VanDerWaalsContact CD1-CA 3.44Å; I86-K119 HydrophobicContact CD1-CB 3.8Å; I86-K119 HydrophobicContact CD1-CG 4.23Å; N117-K119 VanDerWaalsContact C-N 3.32Å; N117-K119 PolarHBondContact O-N 3.47Å; K119-L121 PolarHBondContact O-N 3.18Å; K119-R122 PolarHBondContact O-N 3.15Å; K119-E158 HydrophobicContact CB-CB 4.49Å; K119-E158 HydrophobicContact CD-CB 3.87Å; K119-E158 HydrophobicContact CG-CB 4.28Å; K119-C159 VanDerWaalsContact CB-O 3.29Å; K119-C159 WeakPolarHBondContact CB-O 3.38Å; K119-C159 PolarHBondContact N-O 2.76Å; K119-D165 WeakPolarHBondContact CD-OD2 3.42Å; K119-D165 WeakPolarHBondContact CE-OD2 3.47Å; K119-D165 IonicContact NZ-OD1 3.7Å; K119-D165 IonicContact NZ-OD2 2.72Å; K119-D165 PolarHBondContact NZ-OD2 3.33Å
120D98.5Very high98.5Very high51 Ų5152 Ų5227%0.27324%0.241SC..G310 helixtrans-59.2-27.517557.5-65.8000113.2K118 R122 S160 K162 T163K118-D120 PolarHBondContact O-N 2.8Å; K118-D120 VanDerWaalsContact O-N 3.11Å; D120-R122 PolarHBondContact O-N 2.83Å; D120-S160 VanDerWaalsContact CG-OG 3.23Å; D120-S160 VanDerWaalsContact OD1-CB 3.22Å; D120-S160 WeakPolarHBondContact OD1-CB 3.35Å; D120-S160 PolarHBondContact OD1-OG 3.1Å; D120-K162 WeakPolarHBondContact OD2-CD 3.25Å; D120-T163 HydrophobicContact CB-CG2 3.99Å
121L98.7Very high98.6Very high29 Ų2951.3 Ų51.315%0.15224%0.236CC..G310 helixtrans-81.8-9.9-177.6-59.2-176.8000114.2D87 K118 K119 N123 D124 T127D87-L121 HydrophobicContact CB-CB 4.07Å; D87-L121 HydrophobicContact CB-CD1 3.75Å; D87-L121 VanDerWaalsContact OD2-CD1 3.29Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.45Å; K118-L121 HydrophobicContact CB-CD1 3.88Å; K118-L121 HydrophobicContact CB-CG 4.15Å; K118-L121 HydrophobicContact CD-CD1 3.75Å; K118-L121 HydrophobicContact CG-CD1 4.45Å; K118-L121 WeakPolarHBondContact O-CB 3.44Å; K118-L121 PolarHBondContact O-N 2.91Å; K119-L121 PolarHBondContact O-N 3.18Å; L121-N123 PolarHBondContact O-N 2.93Å; L121-D124 HydrophobicContact CD2-CB 4.13Å; L121-D124 PolarHBondContact O-N 2.94Å; L121-T127 HydrophobicContact CB-CG2 4.18Å
122R98.5Very high98.5Very high35 Ų3553.2 Ų53.213%0.13225%0.254CS..G310 helixtrans-57.4-37.2178.3-176.3173.3-67.4125.1-4.1112.9I86 K119 D120 R128 P138 V139 E158I86-R122 VanDerWaalsContact CD1-NH2 3.29Å; I86-R122 HydrophobicContact CG2-CB 3.89Å; I86-R122 HydrophobicContact CG2-CG 4.46Å; K119-R122 PolarHBondContact O-N 3.15Å; D120-R122 PolarHBondContact O-N 2.83Å; R122-R128 VanDerWaalsContact O-CZ 3.31Å; R122-R128 PolarHBondContact O-NE 2.89Å; R122-R128 PolarHBondContact O-NH2 3.01Å; R122-P138 HydrophobicContact CG-CB 4.33Å; R122-V139 PolarHBondContact NE-O 3.19Å; R122-V139 PolarHBondContact NH2-O 3.3Å; R122-V139 VanDerWaalsContact NH2-O 3.09Å; R122-E158 IonicContact CZ-OE1 2.75Å; R122-E158 IonicContact CZ-OE2 2.89Å; R122-E158 VanDerWaalsContact CZ-OE2 3.23Å; R122-E158 IonicContact NH1-OE1 2.86Å; R122-E158 IonicContact NH1-OE2 3.23Å; R122-E158 PolarHBondContact NH1-OE2 2.92Å; R122-E158 IonicContact NH2-OE1 2.72Å; R122-E158 PolarHBondContact NH2-OE1 3.36Å; R122-E158 IonicContact NH2-OE2 3.92Å; R122-E158 PolarHBondContact NH2-OE2 3.42Å
123N97.3Very high98.5Very high116 Ų11659.2 Ų59.262%0.6228%0.28SS*.G310 helixtrans-1075.2-177.5-63.2-37.4000112.6L121 E125 R128L121-N123 PolarHBondContact O-N 2.93Å; N123-E125 PolarHBondContact O-N 3.17Å; N123-R128 PolarHBondContact OD1-NH2 2.89Å
124D98.4Very high98.4Very high58 Ų5865.9 Ų65.931%0.3131%0.312SS..  trans-73.2123.7178.5176.162.8000110.7L121 H126 T127 R128L121-D124 HydrophobicContact CD2-CB 4.13Å; L121-D124 PolarHBondContact O-N 2.94Å; D124-H126 VanDerWaalsContact C-N 3.29Å; D124-H126 PolarHBondContact O-N 3.25Å; D124-H126 WeakPolarHBondContact OD2-CB 3.48Å; D124-H126 PolarHBondContact OD2-N 2.67Å; D124-T127 PolarHBondContact O-N 3.14Å; D124-T127 WeakPolarHBondContact OD2-CB 3.47Å; D124-T127 PolarHBondContact OD2-N 3.15Å; D124-T127 PolarHBondContact OD2-OG1 3.47Å; D124-R128 WeakPolarHBondContact O-CG 3.39Å; D124-R128 PolarHBondContact O-N 3.41Å
125E98.2Very high98.3Very high143 Ų14375.5 Ų75.567%0.66835%0.354SS*.Hα-helixtrans-66.3-32.4-175.6-66.6-173.6168.100112.6N123 R129N123-E125 PolarHBondContact O-N 3.17Å; E125-R129 WeakPolarHBondContact O-CB 3.28Å; E125-R129 VanDerWaalsContact O-CG 3.26Å; E125-R129 WeakPolarHBondContact O-CG 3.49Å; E125-R129 PolarHBondContact O-N 2.89Å; E125-R129 VanDerWaalsContact O-N 3.1Å; E125-R129 PolarHBondContact O-NE 2.75Å
126H98.4Very high98.3Very high106 Ų10678.4 Ų78.449%0.49137%0.368SS..Hα-helixtrans-68.4-51.2177.1179.157.9000110.5D124 R128 R129 E130D124-H126 VanDerWaalsContact C-N 3.29Å; D124-H126 PolarHBondContact O-N 3.25Å; D124-H126 WeakPolarHBondContact OD2-CB 3.48Å; D124-H126 PolarHBondContact OD2-N 2.67Å; H126-R128 VanDerWaalsContact C-N 3.33Å; H126-R128 PolarHBondContact O-N 2.89Å; H126-R129 PolarHBondContact O-N 3.42Å; H126-R129 VanDerWaalsContact O-N 3.09Å; H126-E130 IonicContact CE1-OE1 3.52Å; H126-E130 IonicContact ND1-OE1 3.91Å; H126-E130 WeakPolarHBondContact O-CG 3.32Å; H126-E130 PolarHBondContact O-N 2.97Å
127T98.5Very high98.3Very high17 Ų1783.3 Ų83.310%0.10439%0.391CS..Hα-helixtrans-53.7-48.4176.2-58.60000111.6D87 L121 D124 R129 E130 L131 P138D87-T127 HydrophobicContact CB-CG2 3.59Å; L121-T127 HydrophobicContact CB-CG2 4.18Å; D124-T127 PolarHBondContact O-N 3.14Å; D124-T127 WeakPolarHBondContact OD2-CB 3.47Å; D124-T127 PolarHBondContact OD2-N 3.15Å; D124-T127 PolarHBondContact OD2-OG1 3.47Å; T127-R129 VanDerWaalsContact C-N 3.35Å; T127-R129 PolarHBondContact O-N 3.03Å; T127-E130 PolarHBondContact O-N 3.31Å; T127-L131 HydrophobicContact CG2-CD1 3.97Å; T127-L131 PolarHBondContact O-N 3.23Å; T127-P138 HydrophobicContact CG2-CG 4.46Å
128R98.6Very high98.3Very high117 Ų11783.6 Ų83.644%0.44239%0.393SS..Hα-helixtrans-60.4-42.1177.3-74.3177.6173.7-166.1-2.8112.8R122 N123 D124 H126 A132 P138R122-R128 VanDerWaalsContact O-CZ 3.31Å; R122-R128 PolarHBondContact O-NE 2.89Å; R122-R128 PolarHBondContact O-NH2 3.01Å; N123-R128 PolarHBondContact OD1-NH2 2.89Å; D124-R128 WeakPolarHBondContact O-CG 3.39Å; D124-R128 PolarHBondContact O-N 3.41Å; H126-R128 VanDerWaalsContact C-N 3.33Å; H126-R128 PolarHBondContact O-N 2.89Å; R128-A132 VanDerWaalsContact O-CB 3.25Å; R128-A132 WeakPolarHBondContact O-CB 3.43Å; R128-A132 PolarHBondContact O-N 2.99Å; R128-P138 HydrophobicContact CG-CG 3.91Å
129R98.5Very high98.3Very high150 Ų15081.1 Ų81.157%0.56638%0.382SS*.Hα-helixtrans-65.2-41.9177.2-77.9-177.9-64.4-171.91.3112.1E125 H126 T127 A132 K133E125-R129 WeakPolarHBondContact O-CB 3.28Å; E125-R129 VanDerWaalsContact O-CG 3.26Å; E125-R129 WeakPolarHBondContact O-CG 3.49Å; E125-R129 PolarHBondContact O-N 2.89Å; E125-R129 VanDerWaalsContact O-N 3.1Å; E125-R129 PolarHBondContact O-NE 2.75Å; H126-R129 PolarHBondContact O-N 3.42Å; H126-R129 VanDerWaalsContact O-N 3.09Å; T127-R129 VanDerWaalsContact C-N 3.35Å; T127-R129 PolarHBondContact O-N 3.03Å; R129-A132 PolarHBondContact O-N 3.35Å; R129-K133 WeakPolarHBondContact O-CG 3.18Å; R129-K133 PolarHBondContact O-N 3.36Å
130E98.3Very high98.3Very high80 Ų8081.3 Ų81.337%0.37438%0.383SS..Hα-helixtrans-66.2-45.9178.5-65.4-51.1125.800111.7H126 T127 A132 K133H126-E130 IonicContact CE1-OE1 3.52Å; H126-E130 IonicContact ND1-OE1 3.91Å; H126-E130 WeakPolarHBondContact O-CG 3.32Å; H126-E130 PolarHBondContact O-N 2.97Å; T127-E130 PolarHBondContact O-N 3.31Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.27Å; E130-K133 WeakPolarHBondContact O-CB 3.46Å; E130-K133 PolarHBondContact O-N 3.12Å; E130-K133 WeakPolarHBondContact OE1-CE 3.18Å; E130-K133 IonicContact OE1-NZ 2.66Å; E130-K133 PolarHBondContact OE1-NZ 2.95Å; E130-K133 WeakPolarHBondContact OE2-CE 3.37Å; E130-K133 IonicContact OE2-NZ 2.69Å; E130-K133 PolarHBondContact OE2-NZ 3.38Å
131L98.4Very high98.3Very high16 Ų1681.3 Ų81.38%0.08439%0.386CS..Hα-helixtrans-62.6-38.5175.7-72.5170.6000112.2P89 T127 K133 M134 K135 Q136 P138P89-L131 HydrophobicContact CG-CD2 4.46Å; T127-L131 HydrophobicContact CG2-CD1 3.97Å; T127-L131 PolarHBondContact O-N 3.23Å; L131-K133 PolarHBondContact O-N 3.38Å; L131-M134 CarbonylContact O-C 3.41Å; L131-M134 WeakPolarHBondContact O-CA 3.45Å; L131-M134 PolarHBondContact O-N 2.88Å; L131-K135 PolarHBondContact O-N 3.15Å; L131-Q136 CarbonylContact C-O 3.17Å; L131-Q136 HydrophobicContact CB-CB 4.09Å; L131-Q136 WeakPolarHBondContact CB-O 3.49Å; L131-Q136 HydrophobicContact CD2-CB 3.96Å; L131-Q136 PolarHBondContact O-N 3.07Å; L131-P138 HydrophobicContact CD1-CB 4.35Å; L131-P138 HydrophobicContact CD1-CG 3.79Å
132A98.1Very high98.3Very high61 Ų6184.8 Ų84.850%0.50440%0.401SS..Hα-helixtrans-62.1-29.6178.500000112.9R128 R129 E130 M134 K135 Q136R128-A132 VanDerWaalsContact O-CB 3.25Å; R128-A132 WeakPolarHBondContact O-CB 3.43Å; R128-A132 PolarHBondContact O-N 2.99Å; R129-A132 PolarHBondContact O-N 3.35Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.27Å; A132-M134 PolarHBondContact O-N 3.39Å; A132-K135 PolarHBondContact O-N 3.5Å; A132-Q136 PolarHBondContact N-O 3.13Å
133K98.1Very high98.3Very high138 Ų13887 Ų8760%0.641%0.413SS*.Hα-helixtrans-60.3-30.2173-64.8173-169.5170.90111.9R129 E130 L131R129-K133 WeakPolarHBondContact O-CG 3.18Å; R129-K133 PolarHBondContact O-N 3.36Å; E130-K133 WeakPolarHBondContact O-CB 3.46Å; E130-K133 PolarHBondContact O-N 3.12Å; E130-K133 WeakPolarHBondContact OE1-CE 3.18Å; E130-K133 IonicContact OE1-NZ 2.66Å; E130-K133 PolarHBondContact OE1-NZ 2.95Å; E130-K133 WeakPolarHBondContact OE2-CE 3.37Å; E130-K133 IonicContact OE2-NZ 2.69Å; E130-K133 PolarHBondContact OE2-NZ 3.38Å; L131-K133 PolarHBondContact O-N 3.38Å
134M96.7Very high98.4Very high139 Ų13981.4 Ų81.469%0.68538%0.383SS*.THydrogen-bonded Turntrans-99.312.2177.4-54.8-47.9-61.700112.9L131 A132 Q136L131-M134 CarbonylContact O-C 3.41Å; L131-M134 WeakPolarHBondContact O-CA 3.45Å; L131-M134 PolarHBondContact O-N 2.88Å; A132-M134 PolarHBondContact O-N 3.39Å; M134-Q136 PolarHBondContact O-N 3.02Å
135K97.5Very high98.4Very high203 Ų20386 Ų8688%0.88340%0.397SS*.THydrogen-bonded Turntrans57.530.2-175.6-53.3178.7-179.4177.30113.5L131 A132L131-K135 PolarHBondContact O-N 3.15Å; A132-K135 PolarHBondContact O-N 3.5Å
136Q98.2Very high98.4Very high60 Ų6084 Ų8428%0.2839%0.39SS..  trans-109.1164.7175.5-73.7-176.3-24.200110.4P89 D90 L131 A132 M134P89-Q136 HydrophobicContact CG-CB 4.22Å; P89-Q136 HydrophobicContact CG-CG 4.46Å; D90-Q136 PolarHBondContact OD1-NE2 3.07Å; L131-Q136 CarbonylContact C-O 3.17Å; L131-Q136 HydrophobicContact CB-CB 4.09Å; L131-Q136 WeakPolarHBondContact CB-O 3.49Å; L131-Q136 HydrophobicContact CD2-CB 3.96Å; L131-Q136 PolarHBondContact O-N 3.07Å; A132-Q136 PolarHBondContact N-O 3.13Å; M134-Q136 PolarHBondContact O-N 3.02Å
137E98.3Very high98.4Very high104 Ų10479.9 Ų79.949%0.48637%0.372SS..  trans-136.3158.4170.961.5179.6160.300109.8P89 K140P89-E137 WeakPolarHBondContact CG-O 3.49Å; E137-K140 VanDerWaalsContact CD-CE 3.46Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 2.68Å; E137-K140 PolarHBondContact OE1-NZ 3.25Å; E137-K140 WeakPolarHBondContact OE2-CE 3.49Å; E137-K140 IonicContact OE2-NZ 3.66Å
138P98.8Very high98.5Very high10 Ų1079.3 Ų79.37%0.06537%0.368CS..PPolyproline II helixtrans-58.5143.1175.5-22.732.3000112I86 R122 T127 R128 L131 K140I86-P138 HydrophobicContact CG2-CB 4.08Å; I86-P138 CarbonylContact O-C 3.55Å; I86-P138 VanDerWaalsContact O-CA 3.25Å; I86-P138 WeakPolarHBondContact O-CA 3.2Å; R122-P138 HydrophobicContact CG-CB 4.33Å; T127-P138 HydrophobicContact CG2-CG 4.46Å; R128-P138 HydrophobicContact CG-CG 3.91Å; L131-P138 HydrophobicContact CD1-CB 4.35Å; L131-P138 HydrophobicContact CD1-CG 3.79Å; P138-K140 PolarHBondContact O-N 3.35Å
139V98.8Very high98.5Very high2 Ų279.3 Ų79.31%0.01238%0.377CS..PPolyproline II helixtrans-58.6127.7-177.7178.70000111.3F84 I86 P89 L92 R122 E143F84-V139 HydrophobicContact CD2-CG2 4.39Å; F84-V139 HydrophobicContact CE2-CB 3.99Å; F84-V139 HydrophobicContact CE2-CG1 3.7Å; F84-V139 HydrophobicContact CE2-CG2 4.11Å; F84-V139 HydrophobicContact CZ-CG1 4.16Å; I86-V139 PolarHBondContact O-N 3.43Å; P89-V139 HydrophobicContact CB-CG2 4.46Å; P89-V139 HydrophobicContact CG-CG2 4.42Å; L92-V139 HydrophobicContact CB-CG2 4.39Å; L92-V139 HydrophobicContact CD2-CG1 3.77Å; L92-V139 HydrophobicContact CD2-CG2 4.35Å; R122-V139 PolarHBondContact NE-O 3.19Å; R122-V139 PolarHBondContact NH2-O 3.3Å; R122-V139 VanDerWaalsContact NH2-O 3.09Å; V139-E143 HydrophobicContact CG1-CB 4Å
140K98.7Very high98.5Very high73 Ų7380.7 Ų80.732%0.31738%0.382SS..PPolyproline II helixtrans-81.3152.5177.2-58.1175-172153.20111.4E137 P138 E142 E143 G144E137-K140 VanDerWaalsContact CD-CE 3.46Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 2.68Å; E137-K140 PolarHBondContact OE1-NZ 3.25Å; E137-K140 WeakPolarHBondContact OE2-CE 3.49Å; E137-K140 IonicContact OE2-NZ 3.66Å; P138-K140 PolarHBondContact O-N 3.35Å; K140-E142 HydrophobicContact CB-CG 4.08Å; K140-E142 WeakPolarHBondContact CB-OE1 3.34Å; K140-E142 WeakPolarHBondContact CB-OE2 3.26Å; K140-E142 WeakPolarHBondContact CD-OE1 3.15Å; K140-E142 PolarHBondContact O-N 3.43Å; K140-E143 HydrophobicContact CB-CG 4.28Å; K140-E143 VanDerWaalsContact CB-OE2 3.32Å; K140-E143 WeakPolarHBondContact CB-OE2 3.48Å; K140-E143 WeakPolarHBondContact CG-OE2 3.13Å; K140-E143 PolarHBondContact N-OE2 2.95Å; K140-E143 PolarHBondContact O-N 2.86Å; K140-E143 VanDerWaalsContact O-N 3.1Å; K140-G144 PolarHBondContact O-N 3.05Å
141P98.8Very high98.5Very high51 Ų5177.1 Ų77.133%0.33137%0.366SS..Hα-helixtrans-57.4-34-179.9-26.135.6000114.7R145 Y156 E158P141-R145 WeakPolarHBondContact O-CB 3.35Å; P141-R145 PolarHBondContact O-N 2.98Å; P141-R145 VanDerWaalsContact O-N 3.1Å; P141-Y156 WeakPolarHBondContact O-CE1 3.41Å; P141-E158 VanDerWaalsContact CA-OE1 3.3Å; P141-E158 WeakPolarHBondContact CA-OE1 3.49Å
142E98.7Very high98.4Very high102 Ų10279.4 Ų79.448%0.47739%0.393SS..Hα-helixtrans-64.2-40.5175.955.8-88.1-154.100112.4K140 G144 R145 D146K140-E142 HydrophobicContact CB-CG 4.08Å; K140-E142 WeakPolarHBondContact CB-OE1 3.34Å; K140-E142 WeakPolarHBondContact CB-OE2 3.26Å; K140-E142 WeakPolarHBondContact CD-OE1 3.15Å; K140-E142 PolarHBondContact O-N 3.43Å; E142-G144 PolarHBondContact O-N 3.14Å; E142-R145 WeakPolarHBondContact O-CB 3.29Å; E142-R145 PolarHBondContact O-N 3.09Å; E142-D146 WeakPolarHBondContact O-CB 3.22Å; E142-D146 VanDerWaalsContact O-CG 3.26Å; E142-D146 PolarHBondContact O-N 3.38Å
143E98.8Very high98.5Very high80 Ų8077.5 Ų77.537%0.37438%0.377SS..Hα-helixtrans-65.5-43-179.9-63.2175.394.500111.3L92 V139 K140 R145 D146 M147L92-E143 HydrophobicContact CD2-CB 4.13Å; V139-E143 HydrophobicContact CG1-CB 4Å; K140-E143 HydrophobicContact CB-CG 4.28Å; K140-E143 VanDerWaalsContact CB-OE2 3.32Å; K140-E143 WeakPolarHBondContact CB-OE2 3.48Å; K140-E143 WeakPolarHBondContact CG-OE2 3.13Å; K140-E143 PolarHBondContact N-OE2 2.95Å; K140-E143 PolarHBondContact O-N 2.86Å; K140-E143 VanDerWaalsContact O-N 3.1Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 3.38Å; E143-D146 PolarHBondContact O-N 2.56Å; E143-M147 WeakPolarHBondContact O-CB 2.98Å; E143-M147 PolarHBondContact O-N 2.8Å
144G98.8Very high98.5Very high0 Ų075.4 Ų75.40%037%0.368CS..Hα-helixtrans-64.6-37.6174.200000112.6L114 K140 E142 M147 A148L114-G144 WeakPolarHBondContact CD2-O 3.12Å; K140-G144 PolarHBondContact O-N 3.05Å; E142-G144 PolarHBondContact O-N 3.14Å; G144-M147 PolarHBondContact O-N 2.46Å; G144-A148 WeakPolarHBondContact O-CB 3.37Å; G144-A148 PolarHBondContact O-N 3.43Å
145R98.8Very high98.5Very high155 Ų15569.5 Ų69.559%0.58534%0.343SS*.Hα-helixtrans-67.3-43.4175.9-171.2178.1-59.5-140.1-2.2112.1P141 E142 E143 M147 A148 N149 Y156P141-R145 WeakPolarHBondContact O-CB 3.35Å; P141-R145 PolarHBondContact O-N 2.98Å; P141-R145 VanDerWaalsContact O-N 3.1Å; E142-R145 WeakPolarHBondContact O-CB 3.29Å; E142-R145 PolarHBondContact O-N 3.09Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 3.38Å; R145-M147 VanDerWaalsContact C-N 3.29Å; R145-M147 PolarHBondContact O-N 2.88Å; R145-A148 PolarHBondContact O-N 2.64Å; R145-N149 PolarHBondContact O-N 2.96Å; R145-N149 PolarHBondContact O-ND2 3.27Å; R145-Y156 HydrophobicContact CB-CD1 4.08Å
146D98.9Very high98.6Very high101 Ų10161.4 Ų61.454%0.5431%0.307SS..Hα-helixtrans-63.7-39.1176.6-72.4-14.8000110.8E142 E143 N149 R150E142-D146 WeakPolarHBondContact O-CB 3.22Å; E142-D146 VanDerWaalsContact O-CG 3.26Å; E142-D146 PolarHBondContact O-N 3.38Å; E143-D146 PolarHBondContact O-N 2.56Å; D146-N149 PolarHBondContact O-N 3.47Å; D146-R150 WeakPolarHBondContact O-CB 3.17Å; D146-R150 PolarHBondContact O-N 2.6Å
147M98.8Very high98.6Very high19 Ų1960.6 Ų60.69%0.09430%0.304CS..Hα-helixtrans-64.1-44.3173.8-17158.176.100112.3L92 I95 P96 L114 E143 G144 R145 N149 R150 I151L92-M147 HydrophobicContact CD1-CB 3.79Å; L92-M147 HydrophobicContact CD1-CE 4.41Å; L92-M147 HydrophobicContact CD1-CG 3.75Å; L92-M147 HydrophobicContact CG-CB 4.47Å; L92-M147 HydrophobicContact CG-CE 4.07Å; L92-M147 HydrophobicContact CG-CG 4.41Å; I95-M147 HydrophobicContact CB-CG 4.22Å; I95-M147 HydrophobicContact CG2-CG 3.89Å; I95-M147 HydrophobicContact CG2-SD 4.34Å; P96-M147 HydrophobicContact CB-SD 4.26Å; P96-M147 VanDerWaalsContact CD-SD 3.5Å; P96-M147 HydrophobicContact CG-CE 3.82Å; P96-M147 HydrophobicContact CG-SD 3.76Å; L114-M147 HydrophobicContact CD2-CB 3.86Å; L114-M147 HydrophobicContact CD2-CG 3.9Å; E143-M147 WeakPolarHBondContact O-CB 2.98Å; E143-M147 PolarHBondContact O-N 2.8Å; G144-M147 PolarHBondContact O-N 2.46Å; R145-M147 VanDerWaalsContact C-N 3.29Å; R145-M147 PolarHBondContact O-N 2.88Å; M147-N149 VanDerWaalsContact C-N 3.29Å; M147-N149 PolarHBondContact O-N 3.01Å; M147-R150 WeakPolarHBondContact O-CB 3.37Å; M147-R150 PolarHBondContact O-N 3.41Å; M147-R150 VanDerWaalsContact O-N 3.13Å; M147-R150 HydrophobicContact SD-CB 4.42Å; M147-I151 WeakPolarHBondContact O-CG1 3.29Å; M147-I151 PolarHBondContact O-N 2.75Å; M147-I151 HydrophobicContact SD-CG2 4.13Å
148A98.9Very high98.7Very high4 Ų456.8 Ų56.83%0.03329%0.286CS..Hα-helixtrans-58.9-42.7176.900000111.7L114 G144 R145 G152 A153 Y156L114-A148 HydrophobicContact CB-CB 4.15Å; L114-A148 HydrophobicContact CD2-CB 3.89Å; G144-A148 WeakPolarHBondContact O-CB 3.37Å; G144-A148 PolarHBondContact O-N 3.43Å; R145-A148 PolarHBondContact O-N 2.64Å; A148-G152 PolarHBondContact O-N 3.15Å; A148-G152 VanDerWaalsContact O-N 3.15Å; A148-A153 HydrophobicContact CB-CB 4.06Å; A148-A153 PolarHBondContact O-N 3.3Å; A148-Y156 HydrophobicContact CB-CG 4.4Å
149N98.7Very high98.7Very high117 Ų11756.3 Ų56.363%0.62628%0.283SS*.Hα-helixtrans-62.4-46.4173.5-68.7-30.3000111.4R145 D146 M147 I151 G152R145-N149 PolarHBondContact O-N 2.96Å; R145-N149 PolarHBondContact O-ND2 3.27Å; D146-N149 PolarHBondContact O-N 3.47Å; M147-N149 VanDerWaalsContact C-N 3.29Å; M147-N149 PolarHBondContact O-N 3.01Å; N149-I151 VanDerWaalsContact C-N 3.32Å; N149-I151 PolarHBondContact O-N 2.77Å; N149-G152 PolarHBondContact O-N 3.02Å
150R98.6Very high98.7Very high179 Ų17956.2 Ų56.268%0.67528%0.282SS*.Hα-helixtrans-58-41.2-179.5179.7178.8177.1-174.1-2.8112.6D146 M147D146-R150 WeakPolarHBondContact O-CB 3.17Å; D146-R150 PolarHBondContact O-N 2.6Å; M147-R150 WeakPolarHBondContact O-CB 3.37Å; M147-R150 PolarHBondContact O-N 3.41Å; M147-R150 VanDerWaalsContact O-N 3.13Å; M147-R150 HydrophobicContact SD-CB 4.42Å
151I98.4Very high98.7Very high6 Ų653.3 Ų53.33%0.03127%0.272CS..Hα-helixtrans-86.6-10.8-178.371.1175.3000113.3M82 I95 P96 T100 K104 I112 L114 M147 N149 A153M82-I151 HydrophobicContact SD-CD1 3.92Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.07Å; P96-I151 HydrophobicContact CB-CG2 4.33Å; T100-I151 HydrophobicContact CG2-CB 3.99Å; T100-I151 HydrophobicContact CG2-CG2 4.14Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.42Å; K104-I151 WeakPolarHBondContact CE-O 3.22Å; K104-I151 PolarHBondContact NZ-O 2.9Å; I112-I151 HydrophobicContact CG2-CD1 4.34Å; L114-I151 HydrophobicContact CD1-CD1 4.34Å; M147-I151 WeakPolarHBondContact O-CG1 3.29Å; M147-I151 PolarHBondContact O-N 2.75Å; M147-I151 HydrophobicContact SD-CG2 4.13Å; N149-I151 VanDerWaalsContact C-N 3.32Å; N149-I151 PolarHBondContact O-N 2.77Å; I151-A153 HydrophobicContact CD1-CB 4.16Å; I151-A153 HydrophobicContact CG1-CB 3.96Å
152G97.7Very high98.6Very high63 Ų6357.4 Ų57.465%0.64928%0.284SS*.THydrogen-bonded Turntrans73.537.8-174.500000112.7A148 N149A148-G152 PolarHBondContact O-N 3.15Å; A148-G152 VanDerWaalsContact O-N 3.15Å; N149-G152 PolarHBondContact O-N 3.02Å
153A98.7Very high98.6Very high21 Ų2156.5 Ų56.517%0.17429%0.286CS..  trans-65.9150.317500000110.9I112 L114 A148 I151 G155I112-A153 HydrophobicContact CG2-CB 4.43Å; I112-A153 CarbonylContact O-C 3.46Å; I112-A153 WeakPolarHBondContact O-CA 3.29Å; I112-A153 WeakPolarHBondContact O-CB 3.3Å; L114-A153 HydrophobicContact CB-CB 4.35Å; A148-A153 HydrophobicContact CB-CB 4.06Å; A148-A153 PolarHBondContact O-N 3.3Å; I151-A153 HydrophobicContact CD1-CB 4.16Å; I151-A153 HydrophobicContact CG1-CB 3.96Å; A153-G155 PolarHBondContact O-N 3.42Å
154F98.1Very high98.6Very high94 Ų9457.1 Ų57.141%0.41229%0.288SS..SBendtrans-66.1-30.6173178.4-82000111.6P111 I112 I113 M173 A177P111-F154 HydrophobicContact CB-CB 4.1Å; P111-F154 HydrophobicContact CB-CD2 4.44Å; P111-F154 HydrophobicContact CB-CG 4.46Å; I112-F154 PolarHBondContact O-N 3.15Å; I113-F154 HydrophobicContact CD1-CB 3.92Å; I113-F154 HydrophobicContact CD1-CD1 3.6Å; I113-F154 HydrophobicContact CD1-CG 4.14Å; F154-M173 HydrophobicContact CD1-CG 4.46Å; F154-M173 HydrophobicContact CE1-CG 4.44Å; F154-A177 HydrophobicContact CD1-CB 3.62Å; F154-A177 HydrophobicContact CD2-CB 4.03Å; F154-A177 HydrophobicContact CE1-CB 3.7Å; F154-A177 HydrophobicContact CE2-CB 4.1Å; F154-A177 HydrophobicContact CG-CB 3.8Å; F154-A177 HydrophobicContact CZ-CB 3.95Å
155G98.3Very high98.5Very high15 Ų1560.6 Ų60.616%0.15531%0.306CS..EExtended strand (participates in β ladder)trans-168.6168.7175.800000112.9L114 A153L114-G155 PolarHBondContact N-O 2.96Å; A153-G155 PolarHBondContact O-N 3.42Å
156Y98.9Very high98.5Very high34 Ų3453.5 Ų53.513%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-122.4132.6174.5175.2-124.7000109.8F84 L114 P141 R145 A148 E158F84-Y156 AromaticContact CE1-CE2 3.77Å; F84-Y156 HydrophobicContact CE1-CE2 3.77Å; F84-Y156 AromaticContact CZ-CE2 3.9Å; F84-Y156 HydrophobicContact CZ-CE2 3.9Å; L114-Y156 HydrophobicContact CB-CD2 4.19Å; L114-Y156 HydrophobicContact CD2-CD2 4.12Å; L114-Y156 HydrophobicContact CG-CD2 4.11Å; L114-Y156 WeakPolarHBondContact O-CA 3.24Å; L114-Y156 WeakPolarHBondContact O-CD2 3.08Å; P141-Y156 WeakPolarHBondContact O-CE1 3.41Å; R145-Y156 HydrophobicContact CB-CD1 4.08Å; A148-Y156 HydrophobicContact CB-CG 4.4Å; Y156-E158 HydrophobicContact CE1-CG 3.91Å; Y156-E158 HydrophobicContact CE2-CG 4.18Å; Y156-E158 VanDerWaalsContact CZ-CG 3.46Å; Y156-E158 VanDerWaalsContact OH-CD 3.25Å; Y156-E158 WeakPolarHBondContact OH-CG 3.43Å; Y156-E158 PolarHBondContact OH-OE1 3.49Å
157M98.9Very high98.5Very high43 Ų4349 Ų4921%0.21226%0.258CS..EExtended strand (participates in β ladder)trans-137.5153.7175.2-68-63.6-73.900110.7L114 V115 G116 E169 V170 M173L114-M157 PolarHBondContact O-N 2.89Å; V115-M157 CarbonylContact C-O 3.43Å; V115-M157 VanDerWaalsContact CA-O 3.3Å; V115-M157 WeakPolarHBondContact CA-O 3.32Å; G116-M157 PolarHBondContact N-O 2.94Å; M157-E169 HydrophobicContact CE-CB 3.47Å; M157-E169 VanDerWaalsContact CE-CB 3.47Å; M157-V170 HydrophobicContact CB-CG2 3.72Å; M157-M173 HydrophobicContact CG-CE 3.52Å; M157-M173 HydrophobicContact CG-SD 3.56Å; M157-M173 VanDerWaalsContact CG-SD 3.56Å; M157-M173 HydrophobicContact SD-CE 3.36Å; M157-M173 WeakPolarHBondContact SD-CE 3.46Å; M157-M173 HydrophobicContact SD-SD 4.26Å
158E98.9Very high98.5Very high23 Ų2354.9 Ų54.911%0.10728%0.279CS..EExtended strand (participates in β ladder)trans-122.7142.3172.3-63-178.6173.100109.9I86 G116 K119 R122 P141 Y156I86-E158 HydrophobicContact CD1-CB 4.34Å; I86-E158 HydrophobicContact CD1-CG 4.23Å; G116-E158 VanDerWaalsContact O-CA 3.29Å; G116-E158 WeakPolarHBondContact O-CA 3.4Å; K119-E158 HydrophobicContact CB-CB 4.49Å; K119-E158 HydrophobicContact CD-CB 3.87Å; K119-E158 HydrophobicContact CG-CB 4.28Å; R122-E158 IonicContact CZ-OE1 2.75Å; R122-E158 IonicContact CZ-OE2 2.89Å; R122-E158 VanDerWaalsContact CZ-OE2 3.23Å; R122-E158 IonicContact NH1-OE1 2.86Å; R122-E158 IonicContact NH1-OE2 3.23Å; R122-E158 PolarHBondContact NH1-OE2 2.92Å; R122-E158 IonicContact NH2-OE1 2.72Å; R122-E158 PolarHBondContact NH2-OE1 3.36Å; R122-E158 IonicContact NH2-OE2 3.92Å; R122-E158 PolarHBondContact NH2-OE2 3.42Å; P141-E158 VanDerWaalsContact CA-OE1 3.3Å; P141-E158 WeakPolarHBondContact CA-OE1 3.49Å; Y156-E158 HydrophobicContact CE1-CG 3.91Å; Y156-E158 HydrophobicContact CE2-CG 4.18Å; Y156-E158 VanDerWaalsContact CZ-CG 3.46Å; Y156-E158 VanDerWaalsContact OH-CD 3.25Å; Y156-E158 WeakPolarHBondContact OH-CG 3.43Å; Y156-E158 PolarHBondContact OH-OE1 3.49Å
159C98.9Very high98.5Very high0 Ų059 Ų590%030%0.297CS..  trans-148165.2178.868.90000112.4G116 N117 K118 K119 D165 V167 V170G116-C159 PolarHBondContact O-N 3.49Å; N117-C159 CarbonylContact C-O 3.46Å; N117-C159 PolarHBondContact OD1-SG 3.45Å; N117-C159 VanDerWaalsContact OD1-SG 3.41Å; K118-C159 PolarHBondContact N-O 2.76Å; K118-C159 VanDerWaalsContact N-O 3.09Å; K119-C159 VanDerWaalsContact CB-O 3.29Å; K119-C159 WeakPolarHBondContact CB-O 3.38Å; K119-C159 PolarHBondContact N-O 2.76Å; C159-D165 CarbonylContact C-O 3.55Å; C159-D165 WeakPolarHBondContact CA-O 3.48Å; C159-D165 VanDerWaalsContact CB-O 3.24Å; C159-D165 WeakPolarHBondContact CB-O 3.36Å; C159-V167 HydrophobicContact CB-CG2 4.38Å; C159-V170 HydrophobicContact CB-CG2 4.05Å
160S98.8Very high98.5Very high1 Ų153.4 Ų53.41%0.00727%0.268CS..  trans-126.2114.2165.6175.30000109D120 K162 T163 K164 D165D120-S160 VanDerWaalsContact CG-OG 3.23Å; D120-S160 VanDerWaalsContact OD1-CB 3.22Å; D120-S160 WeakPolarHBondContact OD1-CB 3.35Å; D120-S160 PolarHBondContact OD1-OG 3.1Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-K162 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact CB-OG1 3.26Å; S160-T163 WeakPolarHBondContact CB-OG1 3.2Å; S160-T163 PolarHBondContact O-N 3.28Å; S160-T163 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact OG-N 3.15Å; S160-T163 PolarHBondContact OG-OG1 3.11Å; S160-K164 CarbonylContact O-C 3.47Å; S160-K164 WeakPolarHBondContact O-CA 3.32Å; S160-K164 PolarHBondContact O-N 2.72Å; S160-D165 PolarHBondContact N-O 2.92Å; S160-D165 PolarHBondContact O-N 2.89Å
161A98.6Very high98.5Very high12 Ų1244.9 Ų44.910%0.09924%0.235CC..THydrogen-bonded Turntrans-60.4-33.5169.100000111.3C20 V24 F30C20-A161 HydrophobicContact CB-CB 3.89Å; V24-A161 HydrophobicContact CB-CB 4.37Å; V24-A161 HydrophobicContact CG2-CB 3.98Å; V24-A161 WeakPolarHBondContact CG2-O 3.42Å; F30-A161 HydrophobicContact CD2-CB 4.04Å; F30-A161 HydrophobicContact CE2-CB 4.01Å
162K97.8Very high98.5Very high136 Ų13647 Ų4759%0.59125%0.245SC*.THydrogen-bonded Turntrans-66.8-42.4-177.9-172.8-179.5-179.2-177.80112.5F30 D120 S160F30-K162 HydrophobicContact CD2-CB 4.28Å; F30-K162 HydrophobicContact CE2-CB 3.95Å; F30-K162 HydrophobicContact CZ-CB 4.17Å; F30-K162 HydrophobicContact CZ-CG 4.46Å; D120-K162 WeakPolarHBondContact OD2-CD 3.25Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-K162 PolarHBondContact OG-N 3.48Å
163T98Very high98.6Very high83 Ų8346 Ų4651%0.50922%0.224SC..THydrogen-bonded Turntrans-98.9-3.318068.60000113.4D120 S160 D165D120-T163 HydrophobicContact CB-CG2 3.99Å; S160-T163 VanDerWaalsContact CB-OG1 3.26Å; S160-T163 WeakPolarHBondContact CB-OG1 3.2Å; S160-T163 PolarHBondContact O-N 3.28Å; S160-T163 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact OG-N 3.15Å; S160-T163 PolarHBondContact OG-OG1 3.11Å; T163-D165 PolarHBondContact O-N 3.09Å; T163-D165 WeakPolarHBondContact OG1-CB 3.42Å; T163-D165 PolarHBondContact OG1-N 3.05Å
164K98.2Very high98.6Very high94 Ų9445 Ų4541%0.40922%0.216SC..  trans64.23.1-171.4-51-176.6176.9-175.40114.8V24 D28 S160 G166 V167V24-K164 HydrophobicContact CG1-CG 3.93Å; D28-K164 PolarHBondContact O-NZ 2.97Å; D28-K164 WeakPolarHBondContact OD1-CE 3.39Å; D28-K164 IonicContact OD1-NZ 2.93Å; D28-K164 PolarHBondContact OD1-NZ 2.92Å; D28-K164 IonicContact OD2-NZ 3.71Å; D28-K164 PolarHBondContact OD2-NZ 2.72Å; S160-K164 CarbonylContact O-C 3.47Å; S160-K164 WeakPolarHBondContact O-CA 3.32Å; S160-K164 PolarHBondContact O-N 2.72Å; K164-G166 PolarHBondContact O-N 3.27Å; K164-V167 PolarHBondContact O-N 3.24Å
165D98.7Very high98.6Very high72 Ų7240.5 Ų40.539%0.38520%0.196SC..THydrogen-bonded Turntrans-62.1126.3177.9179.838000111.1K119 C159 S160 T163 V167K119-D165 WeakPolarHBondContact CD-OD2 3.42Å; K119-D165 WeakPolarHBondContact CE-OD2 3.47Å; K119-D165 IonicContact NZ-OD1 3.7Å; K119-D165 IonicContact NZ-OD2 2.72Å; K119-D165 PolarHBondContact NZ-OD2 3.33Å; C159-D165 CarbonylContact C-O 3.55Å; C159-D165 WeakPolarHBondContact CA-O 3.48Å; C159-D165 VanDerWaalsContact CB-O 3.24Å; C159-D165 WeakPolarHBondContact CB-O 3.36Å; S160-D165 PolarHBondContact N-O 2.92Å; S160-D165 PolarHBondContact O-N 2.89Å; T163-D165 PolarHBondContact O-N 3.09Å; T163-D165 WeakPolarHBondContact OG1-CB 3.42Å; T163-D165 PolarHBondContact OG1-N 3.05Å; D165-V167 PolarHBondContact O-N 3.1Å; D165-V167 VanDerWaalsContact O-N 3.15Å
166G98.7Very high98.6Very high7 Ų743.4 Ų43.47%0.07220%0.202CC..THydrogen-bonded Turntrans72.7-3.5176.100000116K164 E169 V170K164-G166 PolarHBondContact O-N 3.27Å; G166-E169 WeakPolarHBondContact CA-OE2 3.38Å; G166-E169 PolarHBondContact O-N 2.7Å; G166-V170 WeakPolarHBondContact O-CG2 3.33Å; G166-V170 PolarHBondContact O-N 2.79Å; G166-V170 VanDerWaalsContact O-N 3.17Å
167V98.8Very high98.5Very high7 Ų741.8 Ų41.84%0.04220%0.196CC..Hα-helixtrans-62.3-50.8-174.3170.20000110.5L21 V24 F25 C159 K164 D165 E169 V170 F171L21-V167 HydrophobicContact CD1-CB 4.32Å; L21-V167 HydrophobicContact CD1-CG1 3.91Å; L21-V167 HydrophobicContact CD1-CG2 3.99Å; V24-V167 HydrophobicContact CG1-CG1 4.25Å; V24-V167 HydrophobicContact CG1-CG2 4.27Å; F25-V167 HydrophobicContact CB-CG1 3.9Å; C159-V167 HydrophobicContact CB-CG2 4.38Å; K164-V167 PolarHBondContact O-N 3.24Å; D165-V167 PolarHBondContact O-N 3.1Å; D165-V167 VanDerWaalsContact O-N 3.15Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 3.22Å; V167-V170 WeakPolarHBondContact O-CB 3.5Å; V167-V170 PolarHBondContact O-N 2.83Å; V167-F171 HydrophobicContact CG1-CD2 4.4Å; V167-F171 HydrophobicContact CG1-CE2 4.17Å; V167-F171 WeakPolarHBondContact O-CD2 3.43Å
168R98.1Very high98.5Very high142 Ų14239.8 Ų39.854%0.53619%0.186SC..Hα-helixtrans-62.8-42.3-177.5-176.3177176.9118.12.1111.2V170 F171 E172R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 2.78Å; R168-F171 PolarHBondContact O-N 3.09Å; R168-F171 VanDerWaalsContact O-N 3.08Å; R168-E172 HydrophobicContact CG-CG 4.23Å; R168-E172 IonicContact CZ-OE1 3.32Å; R168-E172 IonicContact NE-OE1 3.24Å; R168-E172 PolarHBondContact NE-OE1 3.38Å; R168-E172 IonicContact NH2-OE1 2.88Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 3.35Å
169E98.7Very high98.4Very high90 Ų9040.6 Ų40.642%0.42119%0.191SC..Hα-helixtrans-63.3-34.1-177.7-62.984.8164.500112.2M157 G166 V167 E172 M173M157-E169 HydrophobicContact CE-CB 3.47Å; M157-E169 VanDerWaalsContact CE-CB 3.47Å; G166-E169 WeakPolarHBondContact CA-OE2 3.38Å; G166-E169 PolarHBondContact O-N 2.7Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 3.22Å; E169-E172 PolarHBondContact O-N 3Å; E169-M173 WeakPolarHBondContact O-CB 3.5Å; E169-M173 PolarHBondContact O-N 2.69Å
170V98.9Very high98.1Very high0 Ų046.3 Ų46.30%022%0.218CC..Hα-helixtrans-58.8-49.1171.3168.30000110.8L21 L81 V115 M157 C159 G166 V167 R168 M173 A174L21-V170 HydrophobicContact CD2-CG1 4.38Å; L81-V170 HydrophobicContact CD1-CG1 3.9Å; L81-V170 HydrophobicContact CD2-CG1 3.94Å; V115-V170 HydrophobicContact CG1-CG1 4.35Å; V115-V170 HydrophobicContact CG1-CG2 4.01Å; V115-V170 HydrophobicContact CG2-CG1 3.81Å; V115-V170 HydrophobicContact CG2-CG2 4.49Å; M157-V170 HydrophobicContact CB-CG2 3.72Å; C159-V170 HydrophobicContact CB-CG2 4.05Å; G166-V170 WeakPolarHBondContact O-CG2 3.33Å; G166-V170 PolarHBondContact O-N 2.79Å; G166-V170 VanDerWaalsContact O-N 3.17Å; V167-V170 WeakPolarHBondContact O-CB 3.5Å; V167-V170 PolarHBondContact O-N 2.83Å; R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 2.78Å; V170-M173 PolarHBondContact O-N 2.66Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.39Å
171F98.8Very high97.4Very high0 Ų048 Ų480%023%0.232CC..Hα-helixtrans-74.2-30.7-178.7-68.4-84.7000112.8L8 L21 L22 F25 I46 L55 L57 L81 V167 R168 T175L8-F171 HydrophobicContact CD1-CD1 3.94Å; L8-F171 HydrophobicContact CD1-CE1 4.07Å; L21-F171 HydrophobicContact CD1-CE2 3.85Å; L21-F171 HydrophobicContact CD1-CZ 4.44Å; L21-F171 HydrophobicContact CG-CE2 3.95Å; L21-F171 HydrophobicContact CG-CZ 4.02Å; L22-F171 HydrophobicContact CD2-CE1 3.94Å; L22-F171 HydrophobicContact CD2-CZ 3.89Å; F25-F171 HydrophobicContact CB-CD2 3.7Å; F25-F171 HydrophobicContact CB-CE1 4.49Å; F25-F171 HydrophobicContact CB-CE2 3.28Å; F25-F171 HydrophobicContact CB-CG 4.49Å; F25-F171 HydrophobicContact CB-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CB 4.48Å; F25-F171 AromaticContact CD1-CD1 3.6Å; F25-F171 HydrophobicContact CD1-CD1 3.6Å; F25-F171 AromaticContact CD1-CD2 3.73Å; F25-F171 HydrophobicContact CD1-CD2 3.73Å; F25-F171 AromaticContact CD1-CE1 3.62Å; F25-F171 HydrophobicContact CD1-CE1 3.62Å; F25-F171 AromaticContact CD1-CE2 3.8Å; F25-F171 HydrophobicContact CD1-CE2 3.8Å; F25-F171 AromaticContact CD1-CG 3.65Å; F25-F171 HydrophobicContact CD1-CG 3.65Å; F25-F171 AromaticContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD2-CB 4.07Å; F25-F171 AromaticContact CD2-CD2 3.38Å; F25-F171 HydrophobicContact CD2-CD2 3.38Å; F25-F171 AromaticContact CD2-CE2 3.95Å; F25-F171 HydrophobicContact CD2-CE2 3.95Å; F25-F171 AromaticContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CE1-CB 4.08Å; F25-F171 AromaticContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD2 4.19Å; F25-F171 HydrophobicContact CE1-CE1 4.05Å; F25-F171 AromaticContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE2-CB 3.65Å; F25-F171 AromaticContact CE2-CD2 3.89Å; F25-F171 HydrophobicContact CE2-CD2 3.89Å; F25-F171 AromaticContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CG-CB 4.47Å; F25-F171 HydrophobicContact CG-CD1 4.08Å; F25-F171 AromaticContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CE1 4.13Å; F25-F171 AromaticContact CG-CE2 3.4Å; F25-F171 HydrophobicContact CG-CE2 3.4Å; F25-F171 AromaticContact CG-CG 3.68Å; F25-F171 HydrophobicContact CG-CG 3.68Å; F25-F171 AromaticContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CZ-CB 3.66Å; F25-F171 HydrophobicContact CZ-CD1 4.09Å; F25-F171 HydrophobicContact CZ-CD2 4.27Å; F25-F171 AromaticContact CZ-CG 3.74Å; F25-F171 HydrophobicContact CZ-CG 3.74Å; I46-F171 HydrophobicContact CD1-CB 4Å; L55-F171 HydrophobicContact CD1-CB 4.5Å; L55-F171 HydrophobicContact CD1-CD1 4.19Å; L57-F171 HydrophobicContact CD2-CD1 4.31Å; L57-F171 HydrophobicContact CD2-CE1 3.97Å; L81-F171 HydrophobicContact CD1-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CZ 4.2Å; V167-F171 HydrophobicContact CG1-CD2 4.4Å; V167-F171 HydrophobicContact CG1-CE2 4.17Å; V167-F171 WeakPolarHBondContact O-CD2 3.43Å; R168-F171 PolarHBondContact O-N 3.09Å; R168-F171 VanDerWaalsContact O-N 3.08Å; F171-T175 WeakPolarHBondContact O-CB 3.37Å; F171-T175 PolarHBondContact O-N 2.94Å; F171-T175 PolarHBondContact O-OG1 3.41Å
172E98.6Very high95.9Very high50 Ų5058.7 Ų58.723%0.23427%0.269CS..Hα-helixtrans-63.8-44.8171-70.7-179177.200111.2I46 V48 R168 E169 T175 R176I46-E172 HydrophobicContact CD1-CG 3.8Å; V48-E172 HydrophobicContact CG2-CB 4.34Å; V48-E172 HydrophobicContact CG2-CG 4.17Å; R168-E172 HydrophobicContact CG-CG 4.23Å; R168-E172 IonicContact CZ-OE1 3.32Å; R168-E172 IonicContact NE-OE1 3.24Å; R168-E172 PolarHBondContact NE-OE1 3.38Å; R168-E172 IonicContact NH2-OE1 2.88Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 3.35Å; E169-E172 PolarHBondContact O-N 3Å; E172-T175 PolarHBondContact O-N 2.78Å; E172-R176 VanDerWaalsContact O-CB 3.29Å; E172-R176 WeakPolarHBondContact O-CB 3.49Å; E172-R176 PolarHBondContact O-N 3.46Å
173M98.7Very high94.1Very high41 Ų4161 Ų6120%0.20228%0.275CS..Hα-helixtrans-63.5-46.2175.5-176178.7-7200111.8I113 F154 M157 E169 V170 T175 R176 A177I113-M173 HydrophobicContact CD1-CG 3.84Å; I113-M173 HydrophobicContact CD1-SD 4.1Å; I113-M173 HydrophobicContact CG1-CG 4.47Å; I113-M173 HydrophobicContact CG2-CG 4.49Å; I113-M173 HydrophobicContact CG2-SD 3.92Å; F154-M173 HydrophobicContact CD1-CG 4.46Å; F154-M173 HydrophobicContact CE1-CG 4.44Å; M157-M173 HydrophobicContact CG-CE 3.52Å; M157-M173 HydrophobicContact CG-SD 3.56Å; M157-M173 VanDerWaalsContact CG-SD 3.56Å; M157-M173 HydrophobicContact SD-CE 3.36Å; M157-M173 WeakPolarHBondContact SD-CE 3.46Å; M157-M173 HydrophobicContact SD-SD 4.26Å; E169-M173 WeakPolarHBondContact O-CB 3.5Å; E169-M173 PolarHBondContact O-N 2.69Å; V170-M173 PolarHBondContact O-N 2.66Å; M173-T175 PolarHBondContact O-N 2.83Å; M173-R176 PolarHBondContact O-N 3.36Å; M173-A177 WeakPolarHBondContact O-CB 3.25Å; M173-A177 PolarHBondContact O-N 3.42Å
174A98.7Very high92.1Very high0 Ų059.6 Ų59.60%028%0.277CS..Hα-helixtrans-61.8-43.8178.600000111.9L8 V79 L81 I113 V170 A177 A178L8-A174 HydrophobicContact CD1-CB 3.91Å; V79-A174 HydrophobicContact CG1-CB 4.24Å; V79-A174 HydrophobicContact CG2-CB 4.04Å; L81-A174 HydrophobicContact CD2-CB 3.78Å; I113-A174 HydrophobicContact CG1-CB 4.04Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.39Å; A174-A177 PolarHBondContact O-N 3.44Å; A174-A178 WeakPolarHBondContact O-CB 3.2Å; A174-A178 PolarHBondContact O-N 2.94Å
175T98.4Very high89.6Confident0 Ų064.9 Ų64.90%030%0.3CS..Hα-helixtrans-63.8-43.8176.7-59.10000111.1I46 V48 V53 F171 E172 M173 A177 A178 L179I46-T175 HydrophobicContact CG2-CG2 4.14Å; V48-T175 HydrophobicContact CB-CG2 3.97Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V53-T175 HydrophobicContact CB-CG2 3.99Å; V53-T175 HydrophobicContact CG1-CG2 4.06Å; V53-T175 HydrophobicContact CG2-CG2 3.81Å; F171-T175 WeakPolarHBondContact O-CB 3.37Å; F171-T175 PolarHBondContact O-N 2.94Å; F171-T175 PolarHBondContact O-OG1 3.41Å; E172-T175 PolarHBondContact O-N 2.78Å; M173-T175 PolarHBondContact O-N 2.83Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.2Å; T175-A178 WeakPolarHBondContact O-CB 3.26Å; T175-A178 PolarHBondContact O-N 3.21Å; T175-L179 HydrophobicContact CG2-CD1 3.95Å; T175-L179 HydrophobicContact CG2-CG 4.32Å; T175-L179 WeakPolarHBondContact O-CB 3.41Å; T175-L179 VanDerWaalsContact O-CG 3.24Å; T175-L179 WeakPolarHBondContact O-CG 3.49Å; T175-L179 PolarHBondContact O-N 2.96Å
176R97.8Very high87.2Confident76 Ų7669.1 Ų69.129%0.28732%0.315SS..Hα-helixtrans-59.6-44.4175.8-172.3174.9-64.3109.8-0.7111.5V48 D49 E172 M173 L179 Q180V48-R176 HydrophobicContact CG1-CB 4.24Å; D49-R176 IonicContact OD1-CZ 3.91Å; D49-R176 IonicContact OD1-NE 3.05Å; D49-R176 IonicContact OD1-NH2 2.95Å; D49-R176 PolarHBondContact OD1-NH2 2.91Å; D49-R176 IonicContact OD2-CZ 2.85Å; D49-R176 IonicContact OD2-NE 2.9Å; D49-R176 PolarHBondContact OD2-NE 3.1Å; D49-R176 IonicContact OD2-NH2 3.68Å; E172-R176 VanDerWaalsContact O-CB 3.29Å; E172-R176 WeakPolarHBondContact O-CB 3.49Å; E172-R176 PolarHBondContact O-N 3.46Å; M173-R176 PolarHBondContact O-N 3.36Å; R176-L179 PolarHBondContact O-N 2.98Å; R176-Q180 VanDerWaalsContact O-CG 3.3Å; R176-Q180 WeakPolarHBondContact O-CG 3.15Å; R176-Q180 PolarHBondContact O-N 3.29Å
177A98.3Very high84.7Confident1 Ų178.5 Ų78.51%0.00835%0.353CS..Hα-helixtrans-61.4-46175.200000111.8V79 P111 I113 F154 M173 A174 T175 L179 Q180 A181V79-A177 HydrophobicContact CG2-CB 4.38Å; P111-A177 HydrophobicContact CB-CB 3.96Å; P111-A177 HydrophobicContact CG-CB 4Å; I113-A177 HydrophobicContact CD1-CB 4.04Å; F154-A177 HydrophobicContact CD1-CB 3.62Å; F154-A177 HydrophobicContact CD2-CB 4.03Å; F154-A177 HydrophobicContact CE1-CB 3.7Å; F154-A177 HydrophobicContact CE2-CB 4.1Å; F154-A177 HydrophobicContact CG-CB 3.8Å; F154-A177 HydrophobicContact CZ-CB 3.95Å; M173-A177 WeakPolarHBondContact O-CB 3.25Å; M173-A177 PolarHBondContact O-N 3.42Å; A174-A177 PolarHBondContact O-N 3.44Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.2Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.22Å; A177-Q180 PolarHBondContact O-N 3.21Å; A177-A181 PolarHBondContact O-N 3.3Å
178A97.6Very high82.1Confident0 Ų084 Ų840%039%0.393CS..Hα-helixtrans-62-34.9178.200000113.1K6 D78 V79 A174 T175K6-A178 HydrophobicContact CB-CB 4.34Å; K6-A178 HydrophobicContact CD-CB 4Å; K6-A178 VanDerWaalsContact CE-O 3.27Å; K6-A178 WeakPolarHBondContact CE-O 3.45Å; K6-A178 HydrophobicContact CG-CB 4.13Å; K6-A178 PolarHBondContact NZ-O 3.41Å; D78-A178 HydrophobicContact CB-CB 4.04Å; V79-A178 HydrophobicContact CB-CB 3.94Å; V79-A178 HydrophobicContact CG1-CB 3.91Å; A174-A178 WeakPolarHBondContact O-CB 3.2Å; A174-A178 PolarHBondContact O-N 2.94Å; T175-A178 WeakPolarHBondContact O-CB 3.26Å; T175-A178 PolarHBondContact O-N 3.21Å
179L96.2Very high79.6Confident41 Ų4180.3 Ų80.322%0.21540%0.399CS..Hα-helixtrans-75.5-32.9177.4-72.4171.4000112.8I4 K51 V53 T175 R176 A177I4-L179 HydrophobicContact CD1-CD2 4.41Å; I4-L179 HydrophobicContact CG2-CD2 3.81Å; K51-L179 HydrophobicContact CD-CD1 4.16Å; K51-L179 HydrophobicContact CD-CD2 4.5Å; V53-L179 HydrophobicContact CG2-CD1 4.09Å; V53-L179 HydrophobicContact CG2-CD2 4.12Å; V53-L179 HydrophobicContact CG2-CG 4.45Å; T175-L179 HydrophobicContact CG2-CD1 3.95Å; T175-L179 HydrophobicContact CG2-CG 4.32Å; T175-L179 WeakPolarHBondContact O-CB 3.41Å; T175-L179 VanDerWaalsContact O-CG 3.24Å; T175-L179 WeakPolarHBondContact O-CG 3.49Å; T175-L179 PolarHBondContact O-N 2.96Å; R176-L179 PolarHBondContact O-N 2.98Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.22Å
180Q92.5Very high76.9Confident119 Ų11981.9 Ų81.956%0.55642%0.418SS*.Hα-helixtrans-80.3-26.7178-70.217818.300112.7R176 A177 R182R176-Q180 VanDerWaalsContact O-CG 3.3Å; R176-Q180 WeakPolarHBondContact O-CG 3.15Å; R176-Q180 PolarHBondContact O-N 3.29Å; A177-Q180 PolarHBondContact O-N 3.21Å; Q180-R182 PolarHBondContact O-N 3.02Å
181A85.4Confident74.2Confident36 Ų3689 Ų8930%0.29846%0.455SS..  trans-59.6109.5177.700000110.6P111 A177 R183P111-A181 HydrophobicContact CG-CB 4.23Å; A177-A181 PolarHBondContact O-N 3.3Å; A181-R183 PolarHBondContact O-N 2.92Å
182R67.7Low71.8Confident237 Ų23795.5 Ų95.589%0.89450%0.495SS*.  trans-64122.3166.8-74.7-179.2153-170-5.8106.9Q180 G184Q180-R182 PolarHBondContact O-N 3.02Å; R182-G184 VanDerWaalsContact C-N 3.35Å; R182-G184 PolarHBondContact O-N 3.23Å
183R59.7Low69.2Low185 Ų185103.8 Ų103.870%0.69854%0.54SS*.  trans-55.3106167.4-66.8-178.899.9161.97106.2A181 K185A181-R183 PolarHBondContact O-N 2.92Å; R183-K185 PolarHBondContact O-N 3.27Å; R183-K185 VanDerWaalsContact O-N 3.13Å
184G55Low67.7Low54 Ų54107 Ų10756%0.55756%0.556SS**  trans-48.8126.7170.800000106.3R182 K186R182-G184 VanDerWaalsContact C-N 3.35Å; R182-G184 PolarHBondContact O-N 3.23Å; G184-K186 PolarHBondContact O-N 2.92Å
185K46.4Very low66Low204 Ų204112.6 Ų112.689%0.88759%0.586SS**  trans-42.7115.5-179.6-75.3-179.5176.4178.60107.2R183 K187R183-K185 PolarHBondContact O-N 3.27Å; R183-K185 VanDerWaalsContact O-N 3.13Å; K185-K187 PolarHBondContact O-N 2.68Å
186K48.3Very low64.3Low161 Ų161118.8 Ų118.870%0.762%0.618SS**  trans-47.4121.9169.5-81.6-172.2173.7-173.40104.9G184 S188G184-K186 PolarHBondContact O-N 2.92Å; K186-S188 PolarHBondContact O-N 3.19Å
187K46.4Very low62.3Low204 Ų204121.4 Ų121.489%0.88764%0.638SS**  trans-6096.5167.3-79.1-173.9176.6-1800105.4K185 G189K185-K187 PolarHBondContact O-N 2.68Å; K187-G189 VanDerWaalsContact C-N 3.27Å; K187-G189 PolarHBondContact O-N 3.42Å
188S44.6Very low60Low124 Ų124128.9 Ų128.987%0.86768%0.677SS**  trans-66.994.6165.552.30000105.6K186K186-S188 PolarHBondContact O-N 3.19Å
189G44.4Very low57.5Low64 Ų64137.5 Ų137.566%0.6672%0.722SS**  trans159.377.2179.200000113.2K187K187-G189 VanDerWaalsContact C-N 3.27Å; K187-G189 PolarHBondContact O-N 3.42Å
190C41.8Very low54.8Low123 Ų123144.4 Ų144.483%0.83176%0.758SS**  trans-123.397133.6-153.50000105.9V192C190-V192 PolarHBondContact O-N 3.1Å
191L43.8Very low51.8Low149 Ų149146.3 Ų146.378%0.7877%0.774SS**  trans-64.4114.8161.4-124.582.5000105L193L191-L193 PolarHBondContact O-N 3.35Å
192V47Very low49.1Very low137 Ų137155.5 Ų155.583%0.8381%0.814SS**  trans-68.9113.9164.1-174.90000105.5C190C190-V192 PolarHBondContact O-N 3.1Å
193L43.6Very low47.4Very low224 Ų224148.1 Ų148.1100%1.17381%0.806SS**  trans-96.70158.3-80169.3000107.6L191L191-L193 PolarHBondContact O-N 3.35Å

Retrieved 193 of 193 residues in 615.7 ms (Link to these results)

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