A0A087X5M0_POEFO Loading...

5' exonuclease Apollo

AlphaFold DB , UniProt , Accession A0A087X5M0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 569 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
1M49.2Very low86.8Confident178 Ų17851.5 Ų51.588%0.87729%0.293SS*.  0156.40-68.2117.1168.900109.2S36 D37M1-S36 WeakPolarHBondContact CE-OG 3.32Å; M1-D37 HydrophobicContact CB-CB 4.3Å
2S63.9Low87.6Confident83 Ų8347.3 Ų47.358%0.5827%0.269SS*.  trans-62.1161.4155.440.60000109.8
3N82.6Confident88.4Confident41 Ų4143.6 Ų43.622%0.21925%0.248CC..  trans-110.2125.8165.3-179.6-11.3000106.7G5 D16 F17 V40N3-G5 PolarHBondContact OD1-N 3.15Å; N3-D16 PolarHBondContact OD1-O 3.37Å; N3-F17 WeakPolarHBondContact ND2-CD2 3.3Å; N3-V40 HydrophobicContact CB-CB 4.17Å; N3-V40 HydrophobicContact CB-CG2 4.28Å
4N89.9Confident89.1Confident9 Ų940.5 Ų40.55%0.04823%0.23CC..  trans-88.5-16.3-176.5-56.2-18000112K6 D37 H38 I300N4-K6 VanDerWaalsContact O-CE 3.31Å; N4-K6 WeakPolarHBondContact O-CE 3.39Å; N4-D37 PolarHBondContact N-O 3.01Å; N4-D37 PolarHBondContact ND2-OD2 3.45Å; N4-H38 PolarHBondContact ND2-NE2 3.37Å; N4-I300 HydrophobicContact CB-CG2 4.2Å
5G93.8Very high89.7Confident9 Ų937.8 Ų37.89%0.09322%0.215CC..  trans-67.5158.1-177.900000115.5N3 V15N3-G5 PolarHBondContact OD1-N 3.15Å; G5-V15 CarbonylContact C-O 3.56Å; G5-V15 WeakPolarHBondContact CA-O 3.06Å
6K95.8Very high90.2Very high45 Ų4535.4 Ų35.420%0.19620%0.201CC..EExtended strand (participates in β ladder)trans-129.6146-172.4-51.2-67.6173.21700111.7N4 V15 Y120 Y146 P299 I300N4-K6 VanDerWaalsContact O-CE 3.31Å; N4-K6 WeakPolarHBondContact O-CE 3.39Å; K6-V15 PolarHBondContact N-O 3.17Å; K6-V15 PolarHBondContact O-N 3.06Å; K6-Y120 HydrophobicContact CB-CE2 4.09Å; K6-Y120 HydrophobicContact CG-CE2 3.92Å; K6-Y146 HydrophobicContact CB-CE1 4.15Å; K6-Y146 HydrophobicContact CG-CD1 4.05Å; K6-Y146 HydrophobicContact CG-CE1 4.07Å; K6-P299 VanDerWaalsContact CE-O 3.29Å; K6-P299 WeakPolarHBondContact CE-O 3.42Å; K6-P299 PolarHBondContact NZ-O 2.9Å; K6-I300 WeakPolarHBondContact CE-O 3.16Å; K6-I300 PolarHBondContact NZ-O 2.84Å
7V96.8Very high90.6Very high57 Ų5735.1 Ų35.135%0.34520%0.197SC..EExtended strand (participates in β ladder)trans-86.7128.2156.8-173.80000106.7P9 V14 F17 C23V7-P9 WeakPolarHBondContact O-CD 3.46Å; V7-V14 HydrophobicContact CB-CG2 4.34Å; V7-V14 HydrophobicContact CG1-CG2 4.1Å; V7-V14 HydrophobicContact CG2-CG2 4.13Å; V7-F17 HydrophobicContact CG2-CD1 4.16Å; V7-F17 HydrophobicContact CG2-CE1 4.28Å; V7-C23 HydrophobicContact CG1-CB 4.48Å; V7-C23 HydrophobicContact CG2-CB 3.67Å
8I96.8Very high90.9Very high1 Ų133.7 Ų33.71%0.00519%0.188CC..PPolyproline II helixtrans-82.2116.2179.2-62.1-179.9000108T11 L13 V15 F111 I118 Y146I8-T11 WeakPolarHBondContact CB-OG1 3.39Å; I8-T11 HydrophobicContact CG2-CG2 3.97Å; I8-T11 WeakPolarHBondContact CG2-OG1 3.41Å; I8-T11 PolarHBondContact O-N 3.41Å; I8-T11 PolarHBondContact O-OG1 3.47Å; I8-L13 HydrophobicContact CB-CB 4.3Å; I8-L13 HydrophobicContact CD1-CB 4.09Å; I8-L13 HydrophobicContact CD1-CD1 4.48Å; I8-L13 PolarHBondContact N-O 3.25Å; I8-L13 VanDerWaalsContact N-O 3.08Å; I8-V15 HydrophobicContact CD1-CG2 4.11Å; I8-F111 HydrophobicContact CD1-CD2 4Å; I8-F111 HydrophobicContact CD1-CE2 3.82Å; I8-I118 HydrophobicContact CG2-CD1 3.69Å; I8-Y146 HydrophobicContact CG1-CE2 4.43Å
9P94.9Very high91Very high75 Ų7535.3 Ų35.349%0.48719%0.194SC..THydrogen-bonded Turntrans-56.2153.1-178.5-24.435.1000112.1V7 T11 Y146V7-P9 WeakPolarHBondContact O-CD 3.46Å; P9-T11 WeakPolarHBondContact O-CG2 3.24Å; P9-T11 PolarHBondContact O-N 3.25Å; P9-T11 VanDerWaalsContact O-N 3.07Å; P9-Y146 WeakPolarHBondContact CD-OH 3.12Å
10D94.6Very high91Very high66 Ų6636.1 Ų36.135%0.35320%0.2SC..THydrogen-bonded Turntrans62.113.2176.6-39-44000114.4Y114 R318 V321 V323D10-Y114 PolarHBondContact O-OH 2.99Å; D10-R318 IonicContact OD2-CZ 3.73Å; D10-R318 IonicContact OD2-NH1 2.67Å; D10-R318 IonicContact OD2-NH2 2.8Å; D10-R318 PolarHBondContact OD2-NH2 3.2Å; D10-V321 HydrophobicContact CB-CB 4.14Å; D10-V321 HydrophobicContact CB-CG1 3.88Å; D10-V323 HydrophobicContact CB-CG2 3.99Å; D10-V323 VanDerWaalsContact O-CG2 3.32Å; D10-V323 WeakPolarHBondContact O-CG2 3.41Å
11T96.4Very high90.9Very high3 Ų346.1 Ų46.12%0.01824%0.235CC..SBendtrans-139.5161.7-178.278.10000113.9I8 P9 L13 Y114 F115 M331I8-T11 WeakPolarHBondContact CB-OG1 3.39Å; I8-T11 HydrophobicContact CG2-CG2 3.97Å; I8-T11 WeakPolarHBondContact CG2-OG1 3.41Å; I8-T11 PolarHBondContact O-N 3.41Å; I8-T11 PolarHBondContact O-OG1 3.47Å; P9-T11 WeakPolarHBondContact O-CG2 3.24Å; P9-T11 PolarHBondContact O-N 3.25Å; P9-T11 VanDerWaalsContact O-N 3.07Å; T11-L13 PolarHBondContact O-N 3.07Å; T11-L13 WeakPolarHBondContact OG1-CB 3.48Å; T11-L13 PolarHBondContact OG1-N 3.42Å; T11-Y114 WeakPolarHBondContact CA-OH 3.01Å; T11-F115 HydrophobicContact CG2-CB 4.13Å; T11-F115 HydrophobicContact CG2-CD1 3.43Å; T11-F115 VanDerWaalsContact CG2-CD1 3.43Å; T11-F115 HydrophobicContact CG2-CE1 3.94Å; T11-F115 HydrophobicContact CG2-CG 3.77Å; T11-M331 WeakPolarHBondContact O-CE 3.37Å
12P96.6Very high92.9Very high0 Ų044.7 Ų44.70%022%0.223CC..SBendtrans-78.68.1169.932.5-36.2000114S26 R27 L28 L85 V327 Y330 M331P12-S26 CarbonylContact O-C 3.58Å; P12-S26 WeakPolarHBondContact O-CA 3.46Å; P12-R27 HydrophobicContact CB-CB 4.16Å; P12-R27 HydrophobicContact CB-CG 4.2Å; P12-R27 PolarHBondContact O-N 3.47Å; P12-L28 PolarHBondContact O-N 3.26Å; P12-L85 HydrophobicContact CG-CD2 3.62Å; P12-V327 HydrophobicContact CG-CG1 4.16Å; P12-Y330 HydrophobicContact CB-CD1 4.44Å; P12-Y330 HydrophobicContact CB-CE1 4.48Å; P12-M331 HydrophobicContact CB-CG 3.86Å; P12-M331 HydrophobicContact CB-SD 4.37Å
13L98Very high94.2Very high0 Ų040.9 Ų40.90%020%0.197CC..EExtended strand (participates in β ladder)trans-93.9143.7-168.2-47.1-177.6000113I8 T11 L28 F30 L85 L93 F111 F115I8-L13 HydrophobicContact CB-CB 4.3Å; I8-L13 HydrophobicContact CD1-CB 4.09Å; I8-L13 HydrophobicContact CD1-CD1 4.48Å; I8-L13 PolarHBondContact N-O 3.25Å; I8-L13 VanDerWaalsContact N-O 3.08Å; T11-L13 PolarHBondContact O-N 3.07Å; T11-L13 WeakPolarHBondContact OG1-CB 3.48Å; T11-L13 PolarHBondContact OG1-N 3.42Å; L13-L28 HydrophobicContact CD2-CB 3.93Å; L13-L28 HydrophobicContact CD2-CD2 3.93Å; L13-L28 HydrophobicContact CD2-CG 4.35Å; L13-F30 HydrophobicContact CD2-CE2 4.17Å; L13-L85 HydrophobicContact CD2-CD2 3.98Å; L13-L93 HydrophobicContact CD1-CD1 4.15Å; L13-L93 HydrophobicContact CD1-CD2 4.26Å; L13-L93 HydrophobicContact CD2-CD2 3.86Å; L13-F111 HydrophobicContact CD1-CB 4.46Å; L13-F111 HydrophobicContact CD1-CD1 4.28Å; L13-F111 HydrophobicContact CD1-CG 4.23Å; L13-F115 HydrophobicContact CD1-CE1 4.1Å; L13-F115 HydrophobicContact CD1-CZ 3.91Å
14V97.8Very high94.5Very high0 Ų043.4 Ų43.40%022%0.216CC..EExtended strand (participates in β ladder)trans-139.6136.7175.7172.60000110.4V7 F17 C23 S26 L28 F29 F30V7-V14 HydrophobicContact CB-CG2 4.34Å; V7-V14 HydrophobicContact CG1-CG2 4.1Å; V7-V14 HydrophobicContact CG2-CG2 4.13Å; V14-F17 HydrophobicContact CG1-CB 3.67Å; V14-F17 HydrophobicContact CG1-CD1 4.37Å; V14-F17 WeakPolarHBondContact CG1-O 3.31Å; V14-C23 HydrophobicContact CG2-CB 4.35Å; V14-S26 WeakPolarHBondContact CG2-OG 3.38Å; V14-L28 PolarHBondContact N-O 3.39Å; V14-L28 VanDerWaalsContact N-O 3.08Å; V14-F29 HydrophobicContact CB-CD1 3.88Å; V14-F29 HydrophobicContact CB-CE1 3.82Å; V14-F29 HydrophobicContact CB-CG 4.39Å; V14-F29 HydrophobicContact CB-CZ 4.23Å; V14-F29 HydrophobicContact CG1-CD1 3.77Å; V14-F29 HydrophobicContact CG1-CE1 3.7Å; V14-F29 HydrophobicContact CG2-CE1 4.06Å; V14-F29 HydrophobicContact CG2-CZ 4.12Å; V14-F29 CarbonylContact O-C 3.59Å; V14-F29 WeakPolarHBondContact O-CA 3.44Å; V14-F30 PolarHBondContact O-N 3.47Å
15V98.6Very high94.5Very high0 Ų043.9 Ų43.90%022%0.223CC..EExtended strand (participates in β ladder)trans-121130.8174.8-1640000109.5G5 K6 I8 F17 F30 T32 F109 F111 Y120G5-V15 CarbonylContact C-O 3.56Å; G5-V15 WeakPolarHBondContact CA-O 3.06Å; K6-V15 PolarHBondContact N-O 3.17Å; K6-V15 PolarHBondContact O-N 3.06Å; I8-V15 HydrophobicContact CD1-CG2 4.11Å; V15-F17 PolarHBondContact O-N 3.22Å; V15-F30 WeakPolarHBondContact CA-O 3.44Å; V15-F30 HydrophobicContact CG1-CB 4.2Å; V15-F30 HydrophobicContact CG2-CB 4.26Å; V15-T32 HydrophobicContact CG1-CG2 3.62Å; V15-F109 HydrophobicContact CG1-CD2 4.13Å; V15-F109 HydrophobicContact CG1-CE2 4.09Å; V15-F111 HydrophobicContact CG2-CE2 3.9Å; V15-F111 HydrophobicContact CG2-CZ 3.98Å; V15-Y120 HydrophobicContact CB-CD1 4.17Å; V15-Y120 HydrophobicContact CB-CD2 4.28Å; V15-Y120 HydrophobicContact CB-CE1 3.84Å; V15-Y120 HydrophobicContact CB-CE2 3.97Å; V15-Y120 HydrophobicContact CB-CG 4.39Å; V15-Y120 HydrophobicContact CG1-CD1 3.67Å; V15-Y120 HydrophobicContact CG1-CE1 3.42Å; V15-Y120 VanDerWaalsContact CG1-CE1 3.42Å; V15-Y120 HydrophobicContact CG1-CE2 4.46Å; V15-Y120 HydrophobicContact CG1-CG 4.31Å; V15-Y120 HydrophobicContact CG2-CD1 4.29Å; V15-Y120 HydrophobicContact CG2-CD2 3.99Å; V15-Y120 HydrophobicContact CG2-CE1 4.42Å; V15-Y120 HydrophobicContact CG2-CE2 4.14Å; V15-Y120 HydrophobicContact CG2-CG 4.08Å
16D98.1Very high94.5Very high0 Ų043.6 Ų43.60%022%0.219CC..SBendtrans5715.4174.8-55.9-25.3000116.1N3 W18 F30 L31 T32 H38N3-D16 PolarHBondContact OD1-O 3.37Å; D16-W18 VanDerWaalsContact C-NE1 3.28Å; D16-W18 PolarHBondContact O-NE1 2.67Å; D16-W18 VanDerWaalsContact O-NE1 3.16Å; D16-F30 PolarHBondContact N-O 3.27Å; D16-L31 WeakPolarHBondContact OD1-CA 3.32Å; D16-T32 PolarHBondContact OD1-N 3.09Å; D16-T32 PolarHBondContact OD1-OG1 3.09Å; D16-T32 VanDerWaalsContact OD2-CG2 3.28Å; D16-T32 WeakPolarHBondContact OD2-CG2 3.43Å; D16-T32 PolarHBondContact OD2-OG1 3.19Å; D16-H38 HydrophobicContact CB-CB 4.04Å; D16-H38 IonicContact OD2-CE1 3.01Å; D16-H38 IonicContact OD2-CG 3.24Å; D16-H38 IonicContact OD2-ND1 3.72Å; D16-H38 PolarHBondContact OD2-ND1 3.05Å
17F96.8Very high94.4Very high30 Ų3042.8 Ų42.813%0.13222%0.215CC..  trans-124.6111.7-174-177-81.5000113.2N3 V7 V14 V15 Q19 K22 C23 F29N3-F17 WeakPolarHBondContact ND2-CD2 3.3Å; V7-F17 HydrophobicContact CG2-CD1 4.16Å; V7-F17 HydrophobicContact CG2-CE1 4.28Å; V14-F17 HydrophobicContact CG1-CB 3.67Å; V14-F17 HydrophobicContact CG1-CD1 4.37Å; V14-F17 WeakPolarHBondContact CG1-O 3.31Å; V15-F17 PolarHBondContact O-N 3.22Å; F17-Q19 HydrophobicContact CE1-CB 3.82Å; F17-Q19 HydrophobicContact CZ-CB 3.88Å; F17-K22 HydrophobicContact CE1-CB 4.1Å; F17-K22 HydrophobicContact CZ-CB 3.94Å; F17-K22 HydrophobicContact CZ-CD 4.08Å; F17-C23 HydrophobicContact CE1-CB 4.27Å; F17-F29 WeakPolarHBondContact O-CE1 3.44Å
18W95.8Very high94.4Very high9 Ų940.2 Ų40.23%0.03420%0.199CC..  trans-104.51.3-165.5-47.698.7000114.1D16 V20 F29 L31 H38 L42 W46 I51D16-W18 VanDerWaalsContact C-NE1 3.28Å; D16-W18 PolarHBondContact O-NE1 2.67Å; D16-W18 VanDerWaalsContact O-NE1 3.16Å; W18-V20 VanDerWaalsContact C-N 3.29Å; W18-V20 PolarHBondContact O-N 3.3Å; W18-F29 HydrophobicContact CE3-CD1 4.21Å; W18-F29 HydrophobicContact CH2-CB 4.34Å; W18-F29 HydrophobicContact CZ3-CB 3.84Å; W18-F29 HydrophobicContact CZ3-CD1 4.08Å; W18-F29 HydrophobicContact CZ3-CG 4.39Å; W18-L31 HydrophobicContact CH2-CB 3.91Å; W18-L31 HydrophobicContact CH2-CD1 4.47Å; W18-L31 HydrophobicContact CZ2-CB 3.9Å; W18-L31 HydrophobicContact CZ2-CD1 3.65Å; W18-L31 HydrophobicContact CZ2-CG 4.3Å; W18-H38 PolarHBondContact NE1-O 3.16Å; W18-L42 HydrophobicContact CB-CB 4.26Å; W18-L42 HydrophobicContact CD2-CB 3.86Å; W18-L42 HydrophobicContact CD2-CD1 4.29Å; W18-L42 HydrophobicContact CD2-CD2 4.04Å; W18-L42 HydrophobicContact CD2-CG 4.29Å; W18-L42 HydrophobicContact CE3-CB 4.39Å; W18-L42 HydrophobicContact CE3-CD1 3.94Å; W18-L42 HydrophobicContact CE3-CD2 4.14Å; W18-L42 HydrophobicContact CE3-CG 4.39Å; W18-L42 HydrophobicContact CG-CB 3.69Å; W18-L42 HydrophobicContact CH2-CD2 4.31Å; W18-L42 HydrophobicContact CZ2-CD2 4.19Å; W18-L42 HydrophobicContact CZ3-CD1 4.44Å; W18-L42 HydrophobicContact CZ3-CD2 4.26Å; W18-W46 HydrophobicContact CB-CZ3 4.11Å; W18-W46 HydrophobicContact CE3-CE3 4.28Å; W18-W46 AromaticContact CE3-CH2 3.74Å; W18-W46 HydrophobicContact CE3-CH2 3.74Å; W18-W46 HydrophobicContact CE3-CZ2 4.12Å; W18-W46 AromaticContact CE3-CZ3 3.83Å; W18-W46 HydrophobicContact CE3-CZ3 3.83Å; W18-W46 HydrophobicContact CZ3-CH2 4.3Å; W18-W46 HydrophobicContact CZ3-CZ2 4.28Å; W18-I51 HydrophobicContact CH2-CG2 4.01Å; W18-I51 HydrophobicContact CZ3-CD1 4.12Å; W18-I51 HydrophobicContact CZ3-CG1 4.1Å; W18-I51 HydrophobicContact CZ3-CG2 4.23Å
19Q92.5Very high94.5Very high65 Ų6540.2 Ų40.230%0.30420%0.199SC..  trans-85.467.2-173.7-61.718022.900111.6F17 R21 K22F17-Q19 HydrophobicContact CE1-CB 3.82Å; F17-Q19 HydrophobicContact CZ-CB 3.88Å; Q19-R21 PolarHBondContact O-N 3.43Å; Q19-K22 HydrophobicContact CB-CD 4.25Å; Q19-K22 WeakPolarHBondContact O-CB 3.49Å; Q19-K22 PolarHBondContact O-N 2.83Å
20V90.2Very high94.6Very high50 Ų5036.6 Ų36.630%0.30318%0.176SC..G310 helixtrans-39-40.5-1751690000114.9W18 K22 C23 W46W18-V20 VanDerWaalsContact C-N 3.29Å; W18-V20 PolarHBondContact O-N 3.3Å; V20-K22 PolarHBondContact O-N 3.29Å; V20-C23 CarbonylContact O-C 3.29Å; V20-C23 VanDerWaalsContact O-C 3.29Å; V20-C23 PolarHBondContact O-N 2.96Å; V20-W46 HydrophobicContact CG2-CH2 3.78Å; V20-W46 HydrophobicContact CG2-CZ3 3.82Å
21R90Very high94.8Very high247 Ų24733.5 Ų33.593%0.93216%0.159SC*.G310 helixtrans-63.4-21.1179.5-63.3-174.8-175.9-1792.1114.2Q19Q19-R21 PolarHBondContact O-N 3.43Å
22K91.1Very high95Very high148 Ų14833.4 Ų33.464%0.64316%0.159SC*.G310 helixtrans-94.5-11175.8-64.1178.4178.5171.40113F17 Q19 V20 P24F17-K22 HydrophobicContact CE1-CB 4.1Å; F17-K22 HydrophobicContact CZ-CB 3.94Å; F17-K22 HydrophobicContact CZ-CD 4.08Å; Q19-K22 HydrophobicContact CB-CD 4.25Å; Q19-K22 WeakPolarHBondContact O-CB 3.49Å; Q19-K22 PolarHBondContact O-N 2.83Å; V20-K22 PolarHBondContact O-N 3.29Å; K22-P24 VanDerWaalsContact C-CD 3.44Å
23C90.9Very high95Very high4 Ų433.4 Ų33.43%0.02716%0.159CC..  trans-129.560.6178.256.90000111.4V7 V14 F17 V20 G25 S26V7-C23 HydrophobicContact CG1-CB 4.48Å; V7-C23 HydrophobicContact CG2-CB 3.67Å; V14-C23 HydrophobicContact CG2-CB 4.35Å; F17-C23 HydrophobicContact CE1-CB 4.27Å; V20-C23 CarbonylContact O-C 3.29Å; V20-C23 VanDerWaalsContact O-C 3.29Å; V20-C23 PolarHBondContact O-N 2.96Å; C23-G25 VanDerWaalsContact C-N 3.26Å; C23-G25 PolarHBondContact O-N 2.85Å; C23-S26 WeakPolarHBondContact O-CB 3.4Å; C23-S26 PolarHBondContact O-N 3.13Å; C23-S26 VanDerWaalsContact O-N 3.14Å
24P88.9Confident95Very high94 Ų9434.4 Ų34.461%0.6116%0.163SC*.THydrogen-bonded Turntrans-63.3-31.2-176.126.5-35.1000112.9K22 S26 R27K22-P24 VanDerWaalsContact C-CD 3.44Å; P24-S26 VanDerWaalsContact C-N 3.25Å; P24-S26 PolarHBondContact O-N 3.18Å; P24-R27 PolarHBondContact O-NH1 3.33Å
25G90.4Very high95Very high19 Ų1935.2 Ų35.220%0.19617%0.167CC..THydrogen-bonded Turntrans-67.7-20.2176.600000114.9C23 R27 M331C23-G25 VanDerWaalsContact C-N 3.26Å; C23-G25 PolarHBondContact O-N 2.85Å; G25-R27 PolarHBondContact O-NH1 3.03Å; G25-M331 WeakPolarHBondContact CA-O 3.31Å; G25-M331 WeakPolarHBondContact O-CA 3.29Å; G25-M331 WeakPolarHBondContact O-CG 3.3Å
26S93.8Very high94.8Very high3 Ų338 Ų382%0.02119%0.187CC..  trans-85.4148.4-166.7-53.60000113.7P12 V14 C23 P24 R49P12-S26 CarbonylContact O-C 3.58Å; P12-S26 WeakPolarHBondContact O-CA 3.46Å; V14-S26 WeakPolarHBondContact CG2-OG 3.38Å; C23-S26 WeakPolarHBondContact O-CB 3.4Å; C23-S26 PolarHBondContact O-N 3.13Å; C23-S26 VanDerWaalsContact O-N 3.14Å; P24-S26 VanDerWaalsContact C-N 3.25Å; P24-S26 PolarHBondContact O-N 3.18Å; S26-R49 VanDerWaalsContact O-CZ 3.3Å; S26-R49 PolarHBondContact O-NH1 3.45Å; S26-R49 VanDerWaalsContact O-NH1 3.08Å; S26-R49 PolarHBondContact O-NH2 3.12Å
27R93.9Very high94.6Very high28 Ų2839.4 Ų39.411%0.10619%0.194CC..  trans-135.3-47.1-170.1-61.2-71.9176.7-82.8-8.7112.9P12 P24 G25 Y330 M331 K333P12-R27 HydrophobicContact CB-CB 4.16Å; P12-R27 HydrophobicContact CB-CG 4.2Å; P12-R27 PolarHBondContact O-N 3.47Å; P24-R27 PolarHBondContact O-NH1 3.33Å; G25-R27 PolarHBondContact O-NH1 3.03Å; R27-Y330 HydrophobicContact CB-CD1 4.37Å; R27-Y330 HydrophobicContact CB-CE1 3.53Å; R27-Y330 HydrophobicContact CG-CD1 3.84Å; R27-Y330 HydrophobicContact CG-CE1 3.44Å; R27-Y330 VanDerWaalsContact CG-CE1 3.44Å; R27-Y330 HydrophobicContact CG-CE2 4.32Å; R27-Y330 HydrophobicContact CG-CG 4.44Å; R27-Y330 VanDerWaalsContact CZ-O 3.22Å; R27-Y330 PolarHBondContact NE-O 3.37Å; R27-Y330 PolarHBondContact NH2-O 2.85Å; R27-M331 PolarHBondContact NH2-O 2.79Å; R27-K333 PolarHBondContact NH2-O 3.16Å
28L96.2Very high94.6Very high3 Ų338 Ų382%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-96.2124.7177.9-6769.7000108.4P12 L13 V14 F30 Y52 L83 L93 Y330P12-L28 PolarHBondContact O-N 3.26Å; L13-L28 HydrophobicContact CD2-CB 3.93Å; L13-L28 HydrophobicContact CD2-CD2 3.93Å; L13-L28 HydrophobicContact CD2-CG 4.35Å; V14-L28 PolarHBondContact N-O 3.39Å; V14-L28 VanDerWaalsContact N-O 3.08Å; L28-F30 HydrophobicContact CB-CE2 3.66Å; L28-F30 HydrophobicContact CB-CZ 4.15Å; L28-F30 HydrophobicContact CD2-CE2 4.45Å; L28-F30 HydrophobicContact CD2-CZ 4.26Å; L28-Y52 HydrophobicContact CB-CE2 4.18Å; L28-Y52 HydrophobicContact CD2-CE2 4.42Å; L28-Y52 HydrophobicContact CG-CE2 4.15Å; L28-L83 HydrophobicContact CD2-CB 3.96Å; L28-L83 HydrophobicContact CD2-CD1 4.01Å; L28-L93 HydrophobicContact CD2-CD2 3.83Å; L28-Y330 HydrophobicContact CD1-CE1 4.17Å
29F98.3Very high94.6Very high0 Ų038.3 Ų38.30%019%0.191CC..EExtended strand (participates in β ladder)trans-115.6133-179.1-73.9-105.5000109.4V14 F17 W18 W46 R49 P50 I51 Y52V14-F29 HydrophobicContact CB-CD1 3.88Å; V14-F29 HydrophobicContact CB-CE1 3.82Å; V14-F29 HydrophobicContact CB-CG 4.39Å; V14-F29 HydrophobicContact CB-CZ 4.23Å; V14-F29 HydrophobicContact CG1-CD1 3.77Å; V14-F29 HydrophobicContact CG1-CE1 3.7Å; V14-F29 HydrophobicContact CG2-CE1 4.06Å; V14-F29 HydrophobicContact CG2-CZ 4.12Å; V14-F29 CarbonylContact O-C 3.59Å; V14-F29 WeakPolarHBondContact O-CA 3.44Å; F17-F29 WeakPolarHBondContact O-CE1 3.44Å; W18-F29 HydrophobicContact CE3-CD1 4.21Å; W18-F29 HydrophobicContact CH2-CB 4.34Å; W18-F29 HydrophobicContact CZ3-CB 3.84Å; W18-F29 HydrophobicContact CZ3-CD1 4.08Å; W18-F29 HydrophobicContact CZ3-CG 4.39Å; F29-W46 HydrophobicContact CB-CZ2 4.3Å; F29-W46 AromaticContact CD1-CH2 3.69Å; F29-W46 HydrophobicContact CD1-CH2 3.69Å; F29-W46 HydrophobicContact CD1-CZ2 4.01Å; F29-W46 HydrophobicContact CD2-CZ2 4.24Å; F29-W46 AromaticContact CE1-CH2 3.88Å; F29-W46 HydrophobicContact CE1-CH2 3.88Å; F29-W46 HydrophobicContact CE1-CZ2 4.5Å; F29-W46 HydrophobicContact CG-CH2 4.06Å; F29-W46 AromaticContact CG-CZ2 3.89Å; F29-W46 HydrophobicContact CG-CZ2 3.89Å; F29-W46 HydrophobicContact CZ-CH2 4.43Å; F29-R49 HydrophobicContact CD2-CB 4.31Å; F29-R49 VanDerWaalsContact CE2-NH1 3.3Å; F29-P50 PolarHBondContact N-O 3.36Å; F29-I51 CarbonylContact O-C 3.6Å; F29-I51 WeakPolarHBondContact O-CA 3.4Å; F29-Y52 PolarHBondContact O-N 3.22Å
30F98.8Very high94.8Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-120.1139.2-177.7-63.4-92.5000109.7L13 V14 V15 D16 L28 Y52 L83 L93 V95 F109 F111L13-F30 HydrophobicContact CD2-CE2 4.17Å; V14-F30 PolarHBondContact O-N 3.47Å; V15-F30 WeakPolarHBondContact CA-O 3.44Å; V15-F30 HydrophobicContact CG1-CB 4.2Å; V15-F30 HydrophobicContact CG2-CB 4.26Å; D16-F30 PolarHBondContact N-O 3.27Å; L28-F30 HydrophobicContact CB-CE2 3.66Å; L28-F30 HydrophobicContact CB-CZ 4.15Å; L28-F30 HydrophobicContact CD2-CE2 4.45Å; L28-F30 HydrophobicContact CD2-CZ 4.26Å; F30-Y52 VanDerWaalsContact CA-O 3.31Å; F30-Y52 WeakPolarHBondContact CA-O 3.34Å; F30-Y52 VanDerWaalsContact CD1-CB 3.49Å; F30-Y52 HydrophobicContact CD1-CD2 4.33Å; F30-Y52 HydrophobicContact CD1-CG 4.29Å; F30-Y52 AromaticContact CE1-CD2 3.81Å; F30-Y52 HydrophobicContact CE1-CD2 3.81Å; F30-Y52 AromaticContact CE1-CG 3.87Å; F30-Y52 HydrophobicContact CE1-CG 3.87Å; F30-Y52 HydrophobicContact CE2-CD2 4.39Å; F30-Y52 AromaticContact CZ-CD2 3.85Å; F30-Y52 HydrophobicContact CZ-CD2 3.85Å; F30-Y52 HydrophobicContact CZ-CG 4.35Å; F30-L83 HydrophobicContact CE1-CD1 4.28Å; F30-L83 HydrophobicContact CZ-CD1 4.04Å; F30-L93 HydrophobicContact CE2-CD2 4.46Å; F30-L93 HydrophobicContact CZ-CD2 3.89Å; F30-V95 HydrophobicContact CE1-CB 4.5Å; F30-V95 HydrophobicContact CE1-CG1 4.28Å; F30-V95 HydrophobicContact CE1-CG2 4.04Å; F30-F109 HydrophobicContact CB-CD2 4.24Å; F30-F109 HydrophobicContact CB-CE1 4.38Å; F30-F109 HydrophobicContact CB-CE2 3.76Å; F30-F109 HydrophobicContact CB-CZ 3.85Å; F30-F109 HydrophobicContact CD1-CD1 4.02Å; F30-F109 AromaticContact CD1-CE1 3.8Å; F30-F109 HydrophobicContact CD1-CE1 3.8Å; F30-F109 HydrophobicContact CD1-CZ 4.12Å; F30-F109 HydrophobicContact CG-CZ 4.47Å; F30-F111 HydrophobicContact CB-CZ 4.44Å; F30-F111 AromaticContact CD1-CE1 3.85Å; F30-F111 HydrophobicContact CD1-CE1 3.85Å; F30-F111 HydrophobicContact CD1-CZ 4.1Å; F30-F111 AromaticContact CD2-CE1 3.94Å; F30-F111 HydrophobicContact CD2-CE1 3.94Å; F30-F111 AromaticContact CD2-CZ 3.89Å; F30-F111 HydrophobicContact CD2-CZ 3.89Å; F30-F111 AromaticContact CE1-CE1 3.71Å; F30-F111 HydrophobicContact CE1-CE1 3.71Å; F30-F111 HydrophobicContact CE1-CZ 4.4Å; F30-F111 AromaticContact CE2-CE1 3.78Å; F30-F111 HydrophobicContact CE2-CE1 3.78Å; F30-F111 HydrophobicContact CE2-CZ 4.18Å; F30-F111 AromaticContact CG-CE1 4Å; F30-F111 HydrophobicContact CG-CE1 4Å; F30-F111 AromaticContact CG-CZ 3.87Å; F30-F111 HydrophobicContact CG-CZ 3.87Å; F30-F111 AromaticContact CZ-CE1 3.68Å; F30-F111 HydrophobicContact CZ-CE1 3.68Å; F30-F111 HydrophobicContact CZ-CZ 4.44Å
31L98.8Very high94.9Very high0 Ų037 Ų370%020%0.198CC..  trans-120.2115.3175.3178.865.9000108.9D16 W18 H33 M34 T39 L42 I51 Y52 C53 T57 L61D16-L31 WeakPolarHBondContact OD1-CA 3.32Å; W18-L31 HydrophobicContact CH2-CB 3.91Å; W18-L31 HydrophobicContact CH2-CD1 4.47Å; W18-L31 HydrophobicContact CZ2-CB 3.9Å; W18-L31 HydrophobicContact CZ2-CD1 3.65Å; W18-L31 HydrophobicContact CZ2-CG 4.3Å; L31-H33 WeakPolarHBondContact CD1-O 3.38Å; L31-M34 HydrophobicContact CD2-SD 3.85Å; L31-T39 HydrophobicContact CD1-CG2 3.8Å; L31-T39 HydrophobicContact CD2-CG2 4.37Å; L31-L42 HydrophobicContact CD2-CD2 4.15Å; L31-I51 HydrophobicContact CB-CG2 4.01Å; L31-Y52 PolarHBondContact N-O 3.26Å; L31-C53 HydrophobicContact CB-CB 4.18Å; L31-C53 WeakPolarHBondContact O-CB 3.38Å; L31-T57 HydrophobicContact CB-CG2 4.43Å; L31-T57 HydrophobicContact CD2-CG2 3.62Å; L31-T57 HydrophobicContact CG-CG2 3.87Å; L31-L61 HydrophobicContact CD2-CD1 4.14Å; L31-L61 HydrophobicContact CD2-CD2 4.25Å
32T98.8Very high95.2Very high1 Ų125.6 Ų25.61%0.00616%0.155CC..  trans-69.5-46.7-178.2580000111.3V15 D16 A106 V107 F109 Y120V15-T32 HydrophobicContact CG1-CG2 3.62Å; D16-T32 PolarHBondContact OD1-N 3.09Å; D16-T32 PolarHBondContact OD1-OG1 3.09Å; D16-T32 VanDerWaalsContact OD2-CG2 3.28Å; D16-T32 WeakPolarHBondContact OD2-CG2 3.43Å; D16-T32 PolarHBondContact OD2-OG1 3.19Å; T32-A106 WeakPolarHBondContact O-CA 3.42Å; T32-V107 PolarHBondContact O-N 3.06Å; T32-F109 HydrophobicContact CG2-CD2 3.96Å; T32-F109 HydrophobicContact CG2-CE2 3.6Å; T32-Y120 HydrophobicContact CG2-CD1 4.09Å; T32-Y120 HydrophobicContact CG2-CE1 4Å
33H98.4Very high95.4Very high1 Ų121.4 Ų21.41%0.00514%0.142CC..  trans-164.6174-176.272.9-71.5000112.4L31 H35 H38 H102 A106L31-H33 WeakPolarHBondContact CD1-O 3.38Å; H33-H35 AromaticContact CD2-CD2 3.69Å; H33-H35 AromaticContact CD2-CG 3.52Å; H33-H35 VanDerWaalsContact NE2-CB 3.34Å; H33-H35 WeakPolarHBondContact NE2-CB 3.38Å; H33-H35 AromaticContact NE2-CG 3.36Å; H33-H35 AromaticContact NE2-ND1 3.63Å; H33-H35 PolarHBondContact O-N 2.99Å; H33-H38 AromaticContact CE1-CD2 3.47Å; H33-H38 PolarHBondContact CE1-CD2 3.29Å; H33-H38 VanDerWaalsContact CE1-CD2 3.47Å; H33-H38 AromaticContact CE1-CE1 3.66Å; H33-H38 AromaticContact CE1-CG 3.38Å; H33-H38 AromaticContact CE1-ND1 3.5Å; H33-H38 AromaticContact CE1-NE2 3.71Å; H33-H38 AromaticContact ND1-CG 3.93Å; H33-H38 AromaticContact ND1-ND1 3.91Å; H33-H38 AromaticContact NE2-CD2 3.94Å; H33-H102 AromaticContact CD2-CD2 3.89Å; H33-H102 AromaticContact CD2-NE2 3.99Å; H33-H102 AromaticContact NE2-CD2 3.97Å; H33-H102 AromaticContact NE2-NE2 3.76Å; H33-A106 HydrophobicContact CB-CB 3.64Å
34M97.5Very high95.7Very high20 Ų2023.8 Ų23.810%0.09916%0.158CC..  trans-96.631.6-169.3-78.8-68.3-6200116L31 T39 T57 L60 L61 K64 L65 L187L31-M34 HydrophobicContact CD2-SD 3.85Å; M34-T39 HydrophobicContact SD-CG2 4.14Å; M34-T57 HydrophobicContact CG-CG2 4.1Å; M34-L60 HydrophobicContact CB-CB 4.41Å; M34-L60 HydrophobicContact CB-CD1 4.36Å; M34-L60 HydrophobicContact CE-CB 4.49Å; M34-L60 HydrophobicContact CG-CB 3.8Å; M34-L60 HydrophobicContact CG-CD1 4.45Å; M34-L61 HydrophobicContact CE-CD1 4.38Å; M34-L61 HydrophobicContact SD-CB 3.97Å; M34-L61 HydrophobicContact SD-CD1 3.89Å; M34-K64 HydrophobicContact CE-CB 4.21Å; M34-L65 HydrophobicContact CE-CD1 4.12Å; M34-L65 HydrophobicContact CE-CG 4.13Å; M34-L187 HydrophobicContact CB-CD2 3.82Å
35H96.6Very high96Very high18 Ų1824.5 Ų24.58%0.08316%0.161CC..  trans-81.7154.3169.1-71.9-167.7000112.2H33 D37 H38 T39 H102 L187H33-H35 AromaticContact CD2-CD2 3.69Å; H33-H35 AromaticContact CD2-CG 3.52Å; H33-H35 VanDerWaalsContact NE2-CB 3.34Å; H33-H35 WeakPolarHBondContact NE2-CB 3.38Å; H33-H35 AromaticContact NE2-CG 3.36Å; H33-H35 AromaticContact NE2-ND1 3.63Å; H33-H35 PolarHBondContact O-N 2.99Å; H35-D37 VanDerWaalsContact C-N 3.35Å; H35-D37 PolarHBondContact O-N 3.49Å; H35-H38 PolarHBondContact O-N 2.75Å; H35-T39 PolarHBondContact O-N 3.41Å; H35-T39 PolarHBondContact O-OG1 3.31Å; H35-H102 AromaticContact CE1-NE2 3.26Å; H35-H102 PolarHBondContact CE1-NE2 2.83Å; H35-H102 VanDerWaalsContact CE1-NE2 3.26Å; H35-H102 AromaticContact ND1-NE2 3.67Å; H35-H102 AromaticContact NE2-NE2 3.97Å; H35-L187 PolarHBondContact NE2-O 2.78Å
36S94.4Very high96.3Very high58 Ų5824.5 Ų24.541%0.40616%0.155SC..THydrogen-bonded Turntrans-65.3-31.7-169.851.20000114.7M1 H38 T39 V40M1-S36 WeakPolarHBondContact CE-OG 3.32Å; S36-H38 VanDerWaalsContact C-N 3.33Å; S36-T39 WeakPolarHBondContact CA-OG1 3.41Å; S36-T39 PolarHBondContact O-N 2.7Å; S36-T39 PolarHBondContact O-OG1 3.08Å; S36-V40 WeakPolarHBondContact O-CG2 3.18Å; S36-V40 PolarHBondContact O-N 2.99Å
37D93.9Very high96.2Very high30 Ų3027 Ų2716%0.1617%0.173CC..THydrogen-bonded Turntrans-81.9-10.7178.642.4-32.1000113.7M1 N4 H35M1-D37 HydrophobicContact CB-CB 4.3Å; N4-D37 PolarHBondContact N-O 3.01Å; N4-D37 PolarHBondContact ND2-OD2 3.45Å; H35-D37 VanDerWaalsContact C-N 3.35Å; H35-D37 PolarHBondContact O-N 3.49Å
38H97Very high95.8Very high0 Ų030.6 Ų30.60%020%0.195CC..THydrogen-bonded Turntrans-98.9-10.3170.6-68.2-107.5000112.6N4 D16 W18 H33 H35 S36 D123N4-H38 PolarHBondContact ND2-NE2 3.37Å; D16-H38 HydrophobicContact CB-CB 4.04Å; D16-H38 IonicContact OD2-CE1 3.01Å; D16-H38 IonicContact OD2-CG 3.24Å; D16-H38 IonicContact OD2-ND1 3.72Å; D16-H38 PolarHBondContact OD2-ND1 3.05Å; W18-H38 PolarHBondContact NE1-O 3.16Å; H33-H38 AromaticContact CE1-CD2 3.47Å; H33-H38 PolarHBondContact CE1-CD2 3.29Å; H33-H38 VanDerWaalsContact CE1-CD2 3.47Å; H33-H38 AromaticContact CE1-CE1 3.66Å; H33-H38 AromaticContact CE1-CG 3.38Å; H33-H38 AromaticContact CE1-ND1 3.5Å; H33-H38 AromaticContact CE1-NE2 3.71Å; H33-H38 AromaticContact ND1-CG 3.93Å; H33-H38 AromaticContact ND1-ND1 3.91Å; H33-H38 AromaticContact NE2-CD2 3.94Å; H35-H38 PolarHBondContact O-N 2.75Å; S36-H38 VanDerWaalsContact C-N 3.33Å; H38-D123 IonicContact CE1-OD1 3.63Å; H38-D123 PolarHBondContact CE1-OD1 3.37Å; H38-D123 IonicContact CE1-OD2 3.16Å; H38-D123 IonicContact NE2-OD1 3.55Å; H38-D123 PolarHBondContact NE2-OD1 3.02Å; H38-D123 IonicContact NE2-OD2 2.67Å; H38-D123 PolarHBondContact NE2-OD2 3.18Å
39T96.9Very high95.6Very high16 Ų1631.4 Ų31.410%0.09820%0.197CC..SBendtrans-111.613.6178.850.20000113.3L31 M34 H35 S36 G41 L42 L65L31-T39 HydrophobicContact CD1-CG2 3.8Å; L31-T39 HydrophobicContact CD2-CG2 4.37Å; M34-T39 HydrophobicContact SD-CG2 4.14Å; H35-T39 PolarHBondContact O-N 3.41Å; H35-T39 PolarHBondContact O-OG1 3.31Å; S36-T39 WeakPolarHBondContact CA-OG1 3.41Å; S36-T39 PolarHBondContact O-N 2.7Å; S36-T39 PolarHBondContact O-OG1 3.08Å; T39-G41 PolarHBondContact O-N 3.39Å; T39-L42 HydrophobicContact CG2-CD2 4.44Å; T39-L42 WeakPolarHBondContact O-CB 3.3Å; T39-L42 PolarHBondContact O-N 3.42Å; T39-L65 HydrophobicContact CG2-CD1 3.99Å
40V95.2Very high95.4Very high38 Ų3833 Ų3323%0.2321%0.207CC..THydrogen-bonded Turntrans-62.3100-173-173.90000112.8N3 S36N3-V40 HydrophobicContact CB-CB 4.17Å; N3-V40 HydrophobicContact CB-CG2 4.28Å; S36-V40 WeakPolarHBondContact O-CG2 3.18Å; S36-V40 PolarHBondContact O-N 2.99Å
41G93.8Very high95.4Very high50 Ų5033 Ų3352%0.51521%0.207SC..THydrogen-bonded Turntrans104-3-179.300000114.6T39T39-G41 PolarHBondContact O-N 3.39Å
42L96.2Very high95.4Very high6 Ų634.3 Ų34.33%0.03121%0.213CC..  trans-80.1129.7169.9-173.852.5000109.6W18 L31 T39 W46 I51 L61 L65 V67W18-L42 HydrophobicContact CB-CB 4.26Å; W18-L42 HydrophobicContact CD2-CB 3.86Å; W18-L42 HydrophobicContact CD2-CD1 4.29Å; W18-L42 HydrophobicContact CD2-CD2 4.04Å; W18-L42 HydrophobicContact CD2-CG 4.29Å; W18-L42 HydrophobicContact CE3-CB 4.39Å; W18-L42 HydrophobicContact CE3-CD1 3.94Å; W18-L42 HydrophobicContact CE3-CD2 4.14Å; W18-L42 HydrophobicContact CE3-CG 4.39Å; W18-L42 HydrophobicContact CG-CB 3.69Å; W18-L42 HydrophobicContact CH2-CD2 4.31Å; W18-L42 HydrophobicContact CZ2-CD2 4.19Å; W18-L42 HydrophobicContact CZ3-CD1 4.44Å; W18-L42 HydrophobicContact CZ3-CD2 4.26Å; L31-L42 HydrophobicContact CD2-CD2 4.15Å; T39-L42 HydrophobicContact CG2-CD2 4.44Å; T39-L42 WeakPolarHBondContact O-CB 3.3Å; T39-L42 PolarHBondContact O-N 3.42Å; L42-W46 HydrophobicContact CD1-CB 3.86Å; L42-W46 HydrophobicContact CD1-CD2 3.88Å; L42-W46 HydrophobicContact CD1-CE3 3.95Å; L42-W46 HydrophobicContact CD1-CG 3.85Å; L42-I51 HydrophobicContact CD1-CD1 3.64Å; L42-I51 HydrophobicContact CD2-CD1 4.18Å; L42-L61 HydrophobicContact CD2-CD1 3.6Å; L42-L61 HydrophobicContact CG-CD1 4.21Å; L42-L65 HydrophobicContact CB-CD1 4.29Å; L42-L65 HydrophobicContact CD2-CD1 4.32Å; L42-L65 HydrophobicContact CG-CD1 4.13Å; L42-V67 HydrophobicContact CD1-CG2 4.07Å; L42-V67 HydrophobicContact CG-CG2 4.29Å
43T95.7Very high95.4Very high61 Ų6134.3 Ų34.337%0.37421%0.213SC..  trans-152.3170.5-178.162.90000109.9T45 W46T43-T45 PolarHBondContact O-N 3.3Å; T43-T45 PolarHBondContact OG1-N 2.75Å; T43-T45 PolarHBondContact OG1-OG1 2.94Å; T43-W46 VanDerWaalsContact O-CB 3.3Å; T43-W46 WeakPolarHBondContact O-CB 3.49Å; T43-W46 PolarHBondContact O-N 2.9Å
44S96.4Very high95.4Very high53 Ų5334.3 Ų34.337%0.37121%0.213SC..THydrogen-bonded Turntrans-53.6-16.4172.558.30000115.5W46 L65 Q66S44-W46 VanDerWaalsContact C-N 3.29Å; S44-L65 WeakPolarHBondContact CA-O 3.28Å; S44-L65 WeakPolarHBondContact CB-O 3.37Å; S44-L65 PolarHBondContact N-O 3.13Å; S44-Q66 WeakPolarHBondContact CA-O 3.43Å; S44-Q66 WeakPolarHBondContact CB-O 3.18Å
45T95.4Very high95.5Very high109 Ų10935.3 Ų35.367%0.66922%0.221SC*.THydrogen-bonded Turntrans-79.6-6.7174.468.90000114.1T43 S47T43-T45 PolarHBondContact O-N 3.3Å; T43-T45 PolarHBondContact OG1-N 2.75Å; T43-T45 PolarHBondContact OG1-OG1 2.94Å; T45-S47 PolarHBondContact O-N 3.43Å; T45-S47 PolarHBondContact O-OG 3.24Å
46W95.6Very high95.5Very high19 Ų1937.1 Ų37.17%0.07223%0.233CC..  trans-57135.2178.1-173.8-91.4000111.9W18 V20 F29 L42 T43 S44 R49 I51 V67 W71W18-W46 HydrophobicContact CB-CZ3 4.11Å; W18-W46 HydrophobicContact CE3-CE3 4.28Å; W18-W46 AromaticContact CE3-CH2 3.74Å; W18-W46 HydrophobicContact CE3-CH2 3.74Å; W18-W46 HydrophobicContact CE3-CZ2 4.12Å; W18-W46 AromaticContact CE3-CZ3 3.83Å; W18-W46 HydrophobicContact CE3-CZ3 3.83Å; W18-W46 HydrophobicContact CZ3-CH2 4.3Å; W18-W46 HydrophobicContact CZ3-CZ2 4.28Å; V20-W46 HydrophobicContact CG2-CH2 3.78Å; V20-W46 HydrophobicContact CG2-CZ3 3.82Å; F29-W46 HydrophobicContact CB-CZ2 4.3Å; F29-W46 AromaticContact CD1-CH2 3.69Å; F29-W46 HydrophobicContact CD1-CH2 3.69Å; F29-W46 HydrophobicContact CD1-CZ2 4.01Å; F29-W46 HydrophobicContact CD2-CZ2 4.24Å; F29-W46 AromaticContact CE1-CH2 3.88Å; F29-W46 HydrophobicContact CE1-CH2 3.88Å; F29-W46 HydrophobicContact CE1-CZ2 4.5Å; F29-W46 HydrophobicContact CG-CH2 4.06Å; F29-W46 AromaticContact CG-CZ2 3.89Å; F29-W46 HydrophobicContact CG-CZ2 3.89Å; F29-W46 HydrophobicContact CZ-CH2 4.43Å; L42-W46 HydrophobicContact CD1-CB 3.86Å; L42-W46 HydrophobicContact CD1-CD2 3.88Å; L42-W46 HydrophobicContact CD1-CE3 3.95Å; L42-W46 HydrophobicContact CD1-CG 3.85Å; T43-W46 VanDerWaalsContact O-CB 3.3Å; T43-W46 WeakPolarHBondContact O-CB 3.49Å; T43-W46 PolarHBondContact O-N 2.9Å; S44-W46 VanDerWaalsContact C-N 3.29Å; W46-R49 HydrophobicContact CZ2-CB 3.72Å; W46-R49 PolarHBondContact NE1-O 3.4Å; W46-I51 HydrophobicContact CD2-CD1 4.36Å; W46-I51 HydrophobicContact CG-CD1 4.08Å; W46-V67 HydrophobicContact CB-CG1 4.35Å; W46-W71 VanDerWaalsContact O-CD1 3.31Å; W46-W71 PolarHBondContact O-NE1 3.1Å
47S92.2Very high95.7Very high57 Ų5734.3 Ų34.340%0.39921%0.214SC..  trans-161.6159.2-171.3450000113.4T45 R49T45-S47 PolarHBondContact O-N 3.43Å; T45-S47 PolarHBondContact O-OG 3.24Å; S47-R49 PolarHBondContact O-N 3.49Å
48N85.4Confident96Very high103 Ų10333 Ų3355%0.55121%0.207SC*.SBendtrans64.713172.5-47-43.7000115.3W71N48-W71 VanDerWaalsContact CA-CH2 3.41Å; N48-W71 VanDerWaalsContact N-CH2 3.27Å
49R91.6Very high96Very high19 Ų1934.3 Ų34.37%0.07222%0.218CC..SBendtrans-148.8129.7-178-64.1-173.9172.2-153.7-9.5110.7S26 F29 W46 S47S26-R49 VanDerWaalsContact O-CZ 3.3Å; S26-R49 PolarHBondContact O-NH1 3.45Å; S26-R49 VanDerWaalsContact O-NH1 3.08Å; S26-R49 PolarHBondContact O-NH2 3.12Å; F29-R49 HydrophobicContact CD2-CB 4.31Å; F29-R49 VanDerWaalsContact CE2-NH1 3.3Å; W46-R49 HydrophobicContact CZ2-CB 3.72Å; W46-R49 PolarHBondContact NE1-O 3.4Å; S47-R49 PolarHBondContact O-N 3.49Å
50P95.3Very high96Very high33 Ų3333.8 Ų33.821%0.21421%0.214CC..  trans-71141.2176.930.7-35.3000111.4F29 Y52 H73F29-P50 PolarHBondContact N-O 3.36Å; P50-Y52 HydrophobicContact CB-CE2 3.87Å; P50-Y52 HydrophobicContact CG-CE2 3.75Å; P50-H73 WeakPolarHBondContact CB-CD2 3.35Å; P50-H73 WeakPolarHBondContact CB-NE2 3.34Å
51I98.3Very high96.1Very high0 Ų032 Ų320%020%0.203CC..EExtended strand (participates in β ladder)trans-108.2119.5168.8-52.2179.6000108W18 F29 L31 L42 W46 L61 V67 W71 H73W18-I51 HydrophobicContact CH2-CG2 4.01Å; W18-I51 HydrophobicContact CZ3-CD1 4.12Å; W18-I51 HydrophobicContact CZ3-CG1 4.1Å; W18-I51 HydrophobicContact CZ3-CG2 4.23Å; F29-I51 CarbonylContact O-C 3.6Å; F29-I51 WeakPolarHBondContact O-CA 3.4Å; L31-I51 HydrophobicContact CB-CG2 4.01Å; L42-I51 HydrophobicContact CD1-CD1 3.64Å; L42-I51 HydrophobicContact CD2-CD1 4.18Å; W46-I51 HydrophobicContact CD2-CD1 4.36Å; W46-I51 HydrophobicContact CG-CD1 4.08Å; I51-L61 HydrophobicContact CD1-CD2 4.14Å; I51-L61 HydrophobicContact CG2-CD2 4.34Å; I51-V67 HydrophobicContact CD1-CG1 4.18Å; I51-W71 WeakPolarHBondContact CB-O 3.41Å; I51-W71 PolarHBondContact N-O 2.93Å; I51-H73 PolarHBondContact O-N 2.99Å
52Y98.8Very high96.3Very high29 Ų2934.4 Ų34.411%0.11420%0.197CC..EExtended strand (participates in β ladder)trans-100.3131.9175.3-59.3-77.3000110.4L28 F29 F30 L31 P50 H73 L75 L83L28-Y52 HydrophobicContact CB-CE2 4.18Å; L28-Y52 HydrophobicContact CD2-CE2 4.42Å; L28-Y52 HydrophobicContact CG-CE2 4.15Å; F29-Y52 PolarHBondContact O-N 3.22Å; F30-Y52 VanDerWaalsContact CA-O 3.31Å; F30-Y52 WeakPolarHBondContact CA-O 3.34Å; F30-Y52 VanDerWaalsContact CD1-CB 3.49Å; F30-Y52 HydrophobicContact CD1-CD2 4.33Å; F30-Y52 HydrophobicContact CD1-CG 4.29Å; F30-Y52 AromaticContact CE1-CD2 3.81Å; F30-Y52 HydrophobicContact CE1-CD2 3.81Å; F30-Y52 AromaticContact CE1-CG 3.87Å; F30-Y52 HydrophobicContact CE1-CG 3.87Å; F30-Y52 HydrophobicContact CE2-CD2 4.39Å; F30-Y52 AromaticContact CZ-CD2 3.85Å; F30-Y52 HydrophobicContact CZ-CD2 3.85Å; F30-Y52 HydrophobicContact CZ-CG 4.35Å; L31-Y52 PolarHBondContact N-O 3.26Å; P50-Y52 HydrophobicContact CB-CE2 3.87Å; P50-Y52 HydrophobicContact CG-CE2 3.75Å; Y52-H73 WeakPolarHBondContact CA-O 3.22Å; Y52-H73 HydrophobicContact CD1-CB 3.55Å; Y52-H73 HydrophobicContact CE1-CB 3.7Å; Y52-H73 HydrophobicContact CG-CB 4.47Å; Y52-L75 HydrophobicContact CD1-CD1 3.99Å; Y52-L75 HydrophobicContact CD1-CD2 4.21Å; Y52-L75 HydrophobicContact CD1-CG 4.23Å; Y52-L75 HydrophobicContact CG-CD1 4.32Å; Y52-L83 HydrophobicContact CD1-CD1 4.07Å; Y52-L83 HydrophobicContact CD2-CD1 4.11Å; Y52-L83 HydrophobicContact CE1-CD1 3.86Å; Y52-L83 HydrophobicContact CE1-CD2 3.79Å; Y52-L83 HydrophobicContact CE2-CD1 3.89Å; Y52-L83 HydrophobicContact CG-CD1 4.2Å
53C98.8Very high96.3Very high0 Ų037.1 Ų37.10%021%0.211CC..EExtended strand (participates in β ladder)trans-162.3178.3-176.756.80000111.4L31 T57 H73 P74 L75L31-C53 HydrophobicContact CB-CB 4.18Å; L31-C53 WeakPolarHBondContact O-CB 3.38Å; C53-T57 HydrophobicContact CB-CG2 3.52Å; C53-H73 PolarHBondContact N-O 3.08Å; C53-P74 CarbonylContact O-C 3.56Å; C53-P74 WeakPolarHBondContact O-CA 3.15Å; C53-L75 PolarHBondContact O-N 3.38Å
54S98.8Very high96.3Very high2 Ų236.9 Ų36.91%0.01421%0.205CC..  trans-71.1161.8172.471.80000112.2V56 T57 A58 G105S54-V56 VanDerWaalsContact C-N 3.31Å; S54-V56 PolarHBondContact O-N 3.21Å; S54-T57 PolarHBondContact O-N 3.43Å; S54-T57 VanDerWaalsContact OG-CB 3.31Å; S54-T57 WeakPolarHBondContact OG-CB 3.43Å; S54-T57 PolarHBondContact OG-N 3.28Å; S54-T57 PolarHBondContact OG-OG1 2.9Å; S54-A58 WeakPolarHBondContact O-CB 3.23Å; S54-A58 PolarHBondContact O-N 3.4Å; S54-G105 WeakPolarHBondContact CB-O 3.35Å; S54-G105 WeakPolarHBondContact OG-CA 3.44Å; S54-G105 PolarHBondContact OG-O 3.21Å
55P98.6Very high96.3Very high41 Ų4136.6 Ų36.627%0.26620%0.199SC..Hα-helixtrans-63.1-35.9-179.7-20.933.5000113.2A58 A59 P74 L75 E76P55-A58 WeakPolarHBondContact O-CB 3.45Å; P55-A58 PolarHBondContact O-N 3.15Å; P55-A59 PolarHBondContact O-N 3.34Å; P55-P74 HydrophobicContact CB-CB 4.34Å; P55-P74 HydrophobicContact CG-CB 4.42Å; P55-L75 WeakPolarHBondContact CD-O 3.46Å; P55-E76 WeakPolarHBondContact CG-OE2 3.46Å
56V98.4Very high96.4Very high55 Ų5538.1 Ų38.133%0.33320%0.198SC..Hα-helixtrans-66.6-45.8175.2174.20000110.7S54 A58 A59 L60 P104 L217S54-V56 VanDerWaalsContact C-N 3.31Å; S54-V56 PolarHBondContact O-N 3.21Å; V56-A58 VanDerWaalsContact C-N 3.28Å; V56-A58 PolarHBondContact O-N 2.79Å; V56-A59 PolarHBondContact O-N 3.16Å; V56-L60 HydrophobicContact CG1-CD1 4.32Å; V56-L60 WeakPolarHBondContact O-CG 3.37Å; V56-L60 PolarHBondContact O-N 2.85Å; V56-P104 HydrophobicContact CG1-CB 4.37Å; V56-L217 HydrophobicContact CG1-CD2 3.41Å; V56-L217 VanDerWaalsContact CG1-CD2 3.41Å
57T98.6Very high96.4Very high0 Ų037.4 Ų37.40%020%0.196CC..Hα-helixtrans-61.6-37.7174.5-72.90000111.2L31 M34 C53 S54 L60 L61 G105L31-T57 HydrophobicContact CB-CG2 4.43Å; L31-T57 HydrophobicContact CD2-CG2 3.62Å; L31-T57 HydrophobicContact CG-CG2 3.87Å; M34-T57 HydrophobicContact CG-CG2 4.1Å; C53-T57 HydrophobicContact CB-CG2 3.52Å; S54-T57 PolarHBondContact O-N 3.43Å; S54-T57 VanDerWaalsContact OG-CB 3.31Å; S54-T57 WeakPolarHBondContact OG-CB 3.43Å; S54-T57 PolarHBondContact OG-N 3.28Å; S54-T57 PolarHBondContact OG-OG1 2.9Å; T57-L60 PolarHBondContact O-N 2.94Å; T57-L61 WeakPolarHBondContact O-CB 3.31Å; T57-L61 PolarHBondContact O-N 3.21Å; T57-G105 PolarHBondContact OG1-O 3.28Å
58A98.4Very high96.7Very high3 Ų340.3 Ų40.33%0.02520%0.202CC..Hα-helixtrans-65.1-38.7173.800000113.5S54 P55 V56 R62 I72 P74S54-A58 WeakPolarHBondContact O-CB 3.23Å; S54-A58 PolarHBondContact O-N 3.4Å; P55-A58 WeakPolarHBondContact O-CB 3.45Å; P55-A58 PolarHBondContact O-N 3.15Å; V56-A58 VanDerWaalsContact C-N 3.28Å; V56-A58 PolarHBondContact O-N 2.79Å; A58-R62 WeakPolarHBondContact O-CG 3.32Å; A58-R62 PolarHBondContact O-N 3.17Å; A58-R62 PolarHBondContact O-NE 3.17Å; A58-R62 VanDerWaalsContact O-NE 3.1Å; A58-I72 HydrophobicContact CB-CG2 3.52Å; A58-P74 HydrophobicContact CB-CB 3.92Å; A58-P74 HydrophobicContact CB-CG 4.4Å
59A98.1Very high97.2Very high27 Ų2740.4 Ų40.422%0.22320%0.199CC..Hα-helixtrans-64.1-49.5173.600000111.8P55 V56 L61 R62 L63P55-A59 PolarHBondContact O-N 3.34Å; V56-A59 PolarHBondContact O-N 3.16Å; A59-L61 PolarHBondContact O-N 2.9Å; A59-R62 PolarHBondContact O-N 2.86Å; A59-L63 PolarHBondContact O-N 3.27Å; A59-L63 VanDerWaalsContact O-N 3.08Å
60L97.7Very high97.4Very high4 Ų445.2 Ų45.22%0.02122%0.222CC..Hα-helixtrans-65.4-35.5178.7-67.4-177.3000113M34 V56 T57 R62 L63 K64 L187 T213 A216 L217M34-L60 HydrophobicContact CB-CB 4.41Å; M34-L60 HydrophobicContact CB-CD1 4.36Å; M34-L60 HydrophobicContact CE-CB 4.49Å; M34-L60 HydrophobicContact CG-CB 3.8Å; M34-L60 HydrophobicContact CG-CD1 4.45Å; V56-L60 HydrophobicContact CG1-CD1 4.32Å; V56-L60 WeakPolarHBondContact O-CG 3.37Å; V56-L60 PolarHBondContact O-N 2.85Å; T57-L60 PolarHBondContact O-N 2.94Å; L60-R62 VanDerWaalsContact C-N 3.34Å; L60-R62 PolarHBondContact O-N 3.23Å; L60-L63 HydrophobicContact CD2-CD2 4.46Å; L60-L63 PolarHBondContact O-N 2.84Å; L60-K64 WeakPolarHBondContact O-CB 3.47Å; L60-K64 PolarHBondContact O-N 2.96Å; L60-L187 HydrophobicContact CD1-CD1 3.97Å; L60-L187 HydrophobicContact CD1-CD2 3.76Å; L60-T213 HydrophobicContact CD2-CG2 3.92Å; L60-A216 HydrophobicContact CD2-CB 4.36Å; L60-L217 HydrophobicContact CD1-CD2 4.25Å
61L97.1Very high97.5Very high0 Ų045.8 Ų45.80%022%0.22CC..Hα-helixtrans-63.6-39.1177.8-177.863.7000112.3L31 M34 L42 I51 T57 A59 L65 Q66 V67 I72L31-L61 HydrophobicContact CD2-CD1 4.14Å; L31-L61 HydrophobicContact CD2-CD2 4.25Å; M34-L61 HydrophobicContact CE-CD1 4.38Å; M34-L61 HydrophobicContact SD-CB 3.97Å; M34-L61 HydrophobicContact SD-CD1 3.89Å; L42-L61 HydrophobicContact CD2-CD1 3.6Å; L42-L61 HydrophobicContact CG-CD1 4.21Å; I51-L61 HydrophobicContact CD1-CD2 4.14Å; I51-L61 HydrophobicContact CG2-CD2 4.34Å; T57-L61 WeakPolarHBondContact O-CB 3.31Å; T57-L61 PolarHBondContact O-N 3.21Å; A59-L61 PolarHBondContact O-N 2.9Å; L61-L65 HydrophobicContact CD1-CB 4.04Å; L61-L65 HydrophobicContact CD1-CD1 3.85Å; L61-L65 HydrophobicContact CD1-CG 4.39Å; L61-L65 CarbonylContact O-C 3.49Å; L61-L65 PolarHBondContact O-N 2.83Å; L61-L65 VanDerWaalsContact O-N 3.09Å; L61-Q66 PolarHBondContact O-N 2.92Å; L61-V67 HydrophobicContact CD1-CB 4.48Å; L61-V67 HydrophobicContact CD1-CG2 3.86Å; L61-V67 HydrophobicContact CD2-CB 4.39Å; L61-V67 HydrophobicContact CD2-CG2 4.46Å; L61-V67 HydrophobicContact CG-CB 4.1Å; L61-V67 HydrophobicContact CG-CG2 4.04Å; L61-I72 HydrophobicContact CD2-CD1 3.97Å; L61-I72 HydrophobicContact CD2-CG1 4Å; L61-I72 HydrophobicContact CD2-CG2 4.3Å; L61-I72 HydrophobicContact CG-CD1 4.17Å
62R96.9Very high97.5Very high102 Ų10246.1 Ų46.139%0.38522%0.221SC..Hα-helixtrans-67.4-49.2173-68.2176.7-65.8165.81.4111.3A58 A59 L60 Q66 E69 I72A58-R62 WeakPolarHBondContact O-CG 3.32Å; A58-R62 PolarHBondContact O-N 3.17Å; A58-R62 PolarHBondContact O-NE 3.17Å; A58-R62 VanDerWaalsContact O-NE 3.1Å; A59-R62 PolarHBondContact O-N 2.86Å; L60-R62 VanDerWaalsContact C-N 3.34Å; L60-R62 PolarHBondContact O-N 3.23Å; R62-Q66 VanDerWaalsContact O-CA 3.3Å; R62-Q66 WeakPolarHBondContact O-CA 3.48Å; R62-Q66 PolarHBondContact O-N 3.31Å; R62-E69 VanDerWaalsContact CD-CD 3.49Å; R62-E69 WeakPolarHBondContact CD-OE1 3.33Å; R62-E69 WeakPolarHBondContact CD-OE2 3.45Å; R62-E69 IonicContact CZ-OE1 2.79Å; R62-E69 IonicContact CZ-OE2 3.29Å; R62-E69 IonicContact NE-OE1 3.43Å; R62-E69 IonicContact NE-OE2 3.74Å; R62-E69 VanDerWaalsContact NH1-CD 3.3Å; R62-E69 IonicContact NH1-OE1 3.77Å; R62-E69 PolarHBondContact NH1-OE1 3.05Å; R62-E69 VanDerWaalsContact NH1-OE1 3.09Å; R62-E69 IonicContact NH1-OE2 3.12Å; R62-E69 PolarHBondContact NH1-OE2 3.33Å; R62-I72 HydrophobicContact CG-CD1 3.39Å
63L96.4Very high97.5Very high62 Ų6247.8 Ų47.833%0.32523%0.23SC..Hα-helixtrans-61.2-45.8-178.5179.664000112.9A59 L60 E212 A216A59-L63 PolarHBondContact O-N 3.27Å; A59-L63 VanDerWaalsContact O-N 3.08Å; L60-L63 HydrophobicContact CD2-CD2 4.46Å; L60-L63 PolarHBondContact O-N 2.84Å; L63-E212 HydrophobicContact CD2-CB 4.22Å; L63-A216 HydrophobicContact CD2-CB 3.79Å
64K95.6Very high97.5Very high57 Ų5750.6 Ų50.625%0.24825%0.249CC..Hα-helixtrans-103.1-30.3-167.6-60.7-58.5-177.9-177.60115.3M34 L60 E209 E212 T213M34-K64 HydrophobicContact CE-CB 4.21Å; L60-K64 WeakPolarHBondContact O-CB 3.47Å; L60-K64 PolarHBondContact O-N 2.96Å; K64-E209 PolarHBondContact NZ-O 2.81Å; K64-E212 IonicContact NZ-OE2 2.74Å; K64-E212 PolarHBondContact NZ-OE2 2.71Å; K64-T213 WeakPolarHBondContact CE-OG1 3.43Å
65L96.5Very high97.5Very high46 Ų4651 Ų5124%0.24125%0.25CS..Hα-helixtrans-113.2-3178.1-62.8-179.6000113.8M34 T39 L42 S44 L61 V67M34-L65 HydrophobicContact CE-CD1 4.12Å; M34-L65 HydrophobicContact CE-CG 4.13Å; T39-L65 HydrophobicContact CG2-CD1 3.99Å; L42-L65 HydrophobicContact CB-CD1 4.29Å; L42-L65 HydrophobicContact CD2-CD1 4.32Å; L42-L65 HydrophobicContact CG-CD1 4.13Å; S44-L65 WeakPolarHBondContact CA-O 3.28Å; S44-L65 WeakPolarHBondContact CB-O 3.37Å; S44-L65 PolarHBondContact N-O 3.13Å; L61-L65 HydrophobicContact CD1-CB 4.04Å; L61-L65 HydrophobicContact CD1-CD1 3.85Å; L61-L65 HydrophobicContact CD1-CG 4.39Å; L61-L65 CarbonylContact O-C 3.49Å; L61-L65 PolarHBondContact O-N 2.83Å; L61-L65 VanDerWaalsContact O-N 3.09Å; L65-V67 HydrophobicContact CB-CG2 4.25Å; L65-V67 PolarHBondContact O-N 3.03Å; L65-V67 VanDerWaalsContact O-N 3.11Å
66Q96.7Very high97.4Very high141 Ų14153.9 Ų53.966%0.65926%0.26SS*.  trans53.733.3174.2-59173.64.600113.2S44 L61 R62S44-Q66 WeakPolarHBondContact CA-O 3.43Å; S44-Q66 WeakPolarHBondContact CB-O 3.18Å; L61-Q66 PolarHBondContact O-N 2.92Å; R62-Q66 VanDerWaalsContact O-CA 3.3Å; R62-Q66 WeakPolarHBondContact O-CA 3.48Å; R62-Q66 PolarHBondContact O-N 3.31Å
67V97.1Very high97.4Very high5 Ų554.6 Ų54.63%0.0326%0.262CS..  trans-66.9138172.4179.10000108.8L42 W46 I51 L61 L65 E69 W71 I72L42-V67 HydrophobicContact CD1-CG2 4.07Å; L42-V67 HydrophobicContact CG-CG2 4.29Å; W46-V67 HydrophobicContact CB-CG1 4.35Å; I51-V67 HydrophobicContact CD1-CG1 4.18Å; L61-V67 HydrophobicContact CD1-CB 4.48Å; L61-V67 HydrophobicContact CD1-CG2 3.86Å; L61-V67 HydrophobicContact CD2-CB 4.39Å; L61-V67 HydrophobicContact CD2-CG2 4.46Å; L61-V67 HydrophobicContact CG-CB 4.1Å; L61-V67 HydrophobicContact CG-CG2 4.04Å; L65-V67 HydrophobicContact CB-CG2 4.25Å; L65-V67 PolarHBondContact O-N 3.03Å; L65-V67 VanDerWaalsContact O-N 3.11Å; V67-E69 PolarHBondContact O-N 3.06Å; V67-W71 HydrophobicContact CG1-CB 4.46Å; V67-I72 HydrophobicContact CB-CD1 3.98Å; V67-I72 HydrophobicContact CB-CG1 4.37Å; V67-I72 HydrophobicContact CG1-CD1 4.05Å; V67-I72 HydrophobicContact CG1-CG1 3.88Å; V67-I72 WeakPolarHBondContact O-CD1 3.4Å
68K97.1Very high97.1Very high118 Ų11857 Ų5751%0.51328%0.278SS..  trans-67.8131-177.1-55.4-177.8-179.9-174.50110.8Q70 W71K68-Q70 HydrophobicContact CB-CG 3.93Å; K68-Q70 PolarHBondContact O-N 3.16Å; K68-W71 PolarHBondContact O-N 3.45Å
69E96.1Very high96.9Very high105 Ų10562.4 Ų62.449%0.49130%0.303SS..G310 helixtrans-42.8-42.5179.8-164.378.2-122.800113.5R62 V67 W71 I72R62-E69 VanDerWaalsContact CD-CD 3.49Å; R62-E69 WeakPolarHBondContact CD-OE1 3.33Å; R62-E69 WeakPolarHBondContact CD-OE2 3.45Å; R62-E69 IonicContact CZ-OE1 2.79Å; R62-E69 IonicContact CZ-OE2 3.29Å; R62-E69 IonicContact NE-OE1 3.43Å; R62-E69 IonicContact NE-OE2 3.74Å; R62-E69 VanDerWaalsContact NH1-CD 3.3Å; R62-E69 IonicContact NH1-OE1 3.77Å; R62-E69 PolarHBondContact NH1-OE1 3.05Å; R62-E69 VanDerWaalsContact NH1-OE1 3.09Å; R62-E69 IonicContact NH1-OE2 3.12Å; R62-E69 PolarHBondContact NH1-OE2 3.33Å; V67-E69 PolarHBondContact O-N 3.06Å; E69-W71 PolarHBondContact O-N 3.25Å; E69-I72 PolarHBondContact O-N 3.16Å
70Q96.8Very high96.8Very high120 Ų12064.6 Ų64.656%0.56132%0.315SS*.G310 helixtrans-56.8-12.917968.1179.9107.700116.1K68K68-Q70 HydrophobicContact CB-CG 3.93Å; K68-Q70 PolarHBondContact O-N 3.16Å
71W97.3Very high96.8Very high44 Ų4467.6 Ų67.617%0.16733%0.326CS..G310 helixtrans-111.80.5177-53.2121.3000113W46 N48 I51 V67 K68 E69 H73W46-W71 VanDerWaalsContact O-CD1 3.31Å; W46-W71 PolarHBondContact O-NE1 3.1Å; N48-W71 VanDerWaalsContact CA-CH2 3.41Å; N48-W71 VanDerWaalsContact N-CH2 3.27Å; I51-W71 WeakPolarHBondContact CB-O 3.41Å; I51-W71 PolarHBondContact N-O 2.93Å; V67-W71 HydrophobicContact CG1-CB 4.46Å; K68-W71 PolarHBondContact O-N 3.45Å; E69-W71 PolarHBondContact O-N 3.25Å; W71-H73 PolarHBondContact O-CD2 2.99Å
72I98.1Very high96.9Very high7 Ų772.9 Ų72.94%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-109.4119-175.3-51.9175.8000108.1A58 L61 R62 V67 E69 P74A58-I72 HydrophobicContact CB-CG2 3.52Å; L61-I72 HydrophobicContact CD2-CD1 3.97Å; L61-I72 HydrophobicContact CD2-CG1 4Å; L61-I72 HydrophobicContact CD2-CG2 4.3Å; L61-I72 HydrophobicContact CG-CD1 4.17Å; R62-I72 HydrophobicContact CG-CD1 3.39Å; V67-I72 HydrophobicContact CB-CD1 3.98Å; V67-I72 HydrophobicContact CB-CG1 4.37Å; V67-I72 HydrophobicContact CG1-CD1 4.05Å; V67-I72 HydrophobicContact CG1-CG1 3.88Å; V67-I72 WeakPolarHBondContact O-CD1 3.4Å; E69-I72 PolarHBondContact O-N 3.16Å; I72-P74 WeakPolarHBondContact O-CD 3.46Å
73H98.3Very high96.9Very high65 Ų6568.6 Ų68.630%0.30134%0.339SS..EExtended strand (participates in β ladder)trans-121.485.4-174.6-59.1-79.5000108.7P50 I51 Y52 C53 W71 L75P50-H73 WeakPolarHBondContact CB-CD2 3.35Å; P50-H73 WeakPolarHBondContact CB-NE2 3.34Å; I51-H73 PolarHBondContact O-N 2.99Å; Y52-H73 WeakPolarHBondContact CA-O 3.22Å; Y52-H73 HydrophobicContact CD1-CB 3.55Å; Y52-H73 HydrophobicContact CE1-CB 3.7Å; Y52-H73 HydrophobicContact CG-CB 4.47Å; C53-H73 PolarHBondContact N-O 3.08Å; W71-H73 PolarHBondContact O-CD2 2.99Å; H73-L75 PolarHBondContact O-N 2.99Å
74P98.4Very high96.8Very high59 Ų5968 Ų6838%0.38334%0.338SS..EExtended strand (participates in β ladder)trans-62.4134174.526.8-33.7000110.2C53 P55 A58 I72C53-P74 CarbonylContact O-C 3.56Å; C53-P74 WeakPolarHBondContact O-CA 3.15Å; P55-P74 HydrophobicContact CB-CB 4.34Å; P55-P74 HydrophobicContact CG-CB 4.42Å; A58-P74 HydrophobicContact CB-CB 3.92Å; A58-P74 HydrophobicContact CB-CG 4.4Å; I72-P74 WeakPolarHBondContact O-CD 3.46Å
75L98.5Very high96.8Very high10 Ų1065.2 Ų65.25%0.05233%0.327CS..  trans-117137.4173.5-55.7-177000107.6Y52 C53 P55 H73 Y81 V95 L97Y52-L75 HydrophobicContact CD1-CD1 3.99Å; Y52-L75 HydrophobicContact CD1-CD2 4.21Å; Y52-L75 HydrophobicContact CD1-CG 4.23Å; Y52-L75 HydrophobicContact CG-CD1 4.32Å; C53-L75 PolarHBondContact O-N 3.38Å; P55-L75 WeakPolarHBondContact CD-O 3.46Å; H73-L75 PolarHBondContact O-N 2.99Å; L75-Y81 HydrophobicContact CB-CD2 3.9Å; L75-Y81 HydrophobicContact CB-CE2 3.75Å; L75-Y81 HydrophobicContact CB-CG 4.45Å; L75-Y81 HydrophobicContact CD1-CD2 4.31Å; L75-Y81 HydrophobicContact CD1-CG 4.34Å; L75-Y81 HydrophobicContact CD2-CD1 3.73Å; L75-Y81 HydrophobicContact CD2-CD2 4.15Å; L75-Y81 HydrophobicContact CD2-CE1 3.96Å; L75-Y81 HydrophobicContact CD2-CE2 4.37Å; L75-Y81 HydrophobicContact CD2-CG 3.82Å; L75-Y81 HydrophobicContact CG-CD2 4.34Å; L75-Y81 HydrophobicContact CG-CG 4.43Å; L75-V95 HydrophobicContact CD1-CG1 3.89Å; L75-L97 HydrophobicContact CB-CD1 3.82Å; L75-L97 HydrophobicContact CB-CD2 3.95Å; L75-L97 HydrophobicContact CD1-CD1 3.87Å; L75-L97 HydrophobicContact CG-CD1 4.47Å; L75-L97 WeakPolarHBondContact O-CD2 3.42Å
76E98Very high96.7Very high102 Ų10263.2 Ų63.248%0.47732%0.316SS..  trans-73.5157.3178.1-58.8-56152.800111.5P55 Y81P55-E76 WeakPolarHBondContact CG-OE2 3.46Å; E76-Y81 WeakPolarHBondContact CB-OH 3.33Å; E76-Y81 WeakPolarHBondContact CG-OH 3.44Å; E76-Y81 PolarHBondContact N-OH 3.47Å
77L97.1Very high96.4Very high69 Ų6960.8 Ų60.836%0.36131%0.308SS..BIsolated β-bridgetrans-76.4146.9177.9-82.666.4000111E79 L97 D99 V107L77-E79 PolarHBondContact O-N 2.79Å; L77-L97 HydrophobicContact CG-CB 4.37Å; L77-D99 HydrophobicContact CD2-CB 4.07Å; L77-V107 HydrophobicContact CD1-CG1 3.9Å; L77-V107 HydrophobicContact CD2-CG1 4.18Å; L77-V107 HydrophobicContact CG-CG1 4.01Å
78C93.1Very high96.1Very high51 Ų5166.7 Ų66.735%0.34534%0.338SS..THydrogen-bonded Turntrans59.73.2179.2-56.90000116.5L97 E133C78-L97 WeakPolarHBondContact CA-O 3.36Å; C78-L97 PolarHBondContact N-O 2.74Å; C78-E133 PolarHBondContact SG-OE2 3.32Å
79E94.1Very high95.7Very high116 Ų11662.6 Ų62.654%0.54233%0.328SS..  trans-93.8136.2172.5-74.5-67.315800112.1L77 Y81L77-E79 PolarHBondContact O-N 2.79Å; E79-Y81 HydrophobicContact CB-CE2 3.82Å; E79-Y81 VanDerWaalsContact O-CD2 3.29Å; E79-Y81 WeakPolarHBondContact O-CD2 3.34Å
80P96.2Very high95.6Very high73 Ų7363.8 Ų63.847%0.47433%0.332SS..EExtended strand (participates in β ladder)trans-88115-179.632.5-32.8000112.6T94P80-T94 HydrophobicContact CB-CG2 3.78Å
81Y97.9Very high95.6Very high67 Ų6760 Ų6026%0.26332%0.315SS..EExtended strand (participates in β ladder)trans-99.5127.5179.7-69.6-90.1000112.5L75 E76 E79 T94 V95L75-Y81 HydrophobicContact CB-CD2 3.9Å; L75-Y81 HydrophobicContact CB-CE2 3.75Å; L75-Y81 HydrophobicContact CB-CG 4.45Å; L75-Y81 HydrophobicContact CD1-CD2 4.31Å; L75-Y81 HydrophobicContact CD1-CG 4.34Å; L75-Y81 HydrophobicContact CD2-CD1 3.73Å; L75-Y81 HydrophobicContact CD2-CD2 4.15Å; L75-Y81 HydrophobicContact CD2-CE1 3.96Å; L75-Y81 HydrophobicContact CD2-CE2 4.37Å; L75-Y81 HydrophobicContact CD2-CG 3.82Å; L75-Y81 HydrophobicContact CG-CD2 4.34Å; L75-Y81 HydrophobicContact CG-CG 4.43Å; E76-Y81 WeakPolarHBondContact CB-OH 3.33Å; E76-Y81 WeakPolarHBondContact CG-OH 3.44Å; E76-Y81 PolarHBondContact N-OH 3.47Å; E79-Y81 HydrophobicContact CB-CE2 3.82Å; E79-Y81 VanDerWaalsContact O-CD2 3.29Å; E79-Y81 WeakPolarHBondContact O-CD2 3.34Å; Y81-T94 CarbonylContact O-C 3.59Å; Y81-T94 WeakPolarHBondContact O-CA 3.35Å; Y81-V95 PolarHBondContact N-O 3.4Å; Y81-V95 PolarHBondContact O-N 3.11Å
82L97.6Very high95.5Very high111 Ų11163.3 Ų63.358%0.58133%0.33SS*.EExtended strand (participates in β ladder)trans-91.2116.2174.4-77.277.9000110.8K92 L93L82-K92 HydrophobicContact CD2-CD 4.35Å; L82-L93 CarbonylContact C-O 3.41Å; L82-L93 WeakPolarHBondContact CA-O 3.49Å
83L96.9Very high95.5Very high12 Ų1263 Ų636%0.06333%0.328CS..EExtended strand (participates in β ladder)trans-113.9145.4177.3-57.6178.9000110.5L28 F30 Y52 K92 L93 V95L28-L83 HydrophobicContact CD2-CB 3.96Å; L28-L83 HydrophobicContact CD2-CD1 4.01Å; F30-L83 HydrophobicContact CE1-CD1 4.28Å; F30-L83 HydrophobicContact CZ-CD1 4.04Å; Y52-L83 HydrophobicContact CD1-CD1 4.07Å; Y52-L83 HydrophobicContact CD2-CD1 4.11Å; Y52-L83 HydrophobicContact CE1-CD1 3.86Å; Y52-L83 HydrophobicContact CE1-CD2 3.79Å; Y52-L83 HydrophobicContact CE2-CD1 3.89Å; Y52-L83 HydrophobicContact CG-CD1 4.2Å; L83-K92 WeakPolarHBondContact O-CA 3.31Å; L83-L93 HydrophobicContact CB-CB 4.38Å; L83-L93 HydrophobicContact CB-CD2 4.47Å; L83-L93 HydrophobicContact CD1-CD2 4.3Å; L83-L93 PolarHBondContact N-O 3.31Å; L83-L93 PolarHBondContact O-N 2.83Å; L83-V95 HydrophobicContact CD1-CG1 3.72Å; L83-V95 HydrophobicContact CG-CG1 4.2Å
84P95.9Very high95.5Very high49 Ų4961.6 Ų61.632%0.31832%0.324SS..EExtended strand (participates in β ladder)trans-71.9142.3177.130.1-34.3000111.7
85L95.9Very high95.5Very high0 Ų058.8 Ų58.80%031%0.306CS..SBendtrans-104.9-0.3170.7-69.3172.9000112.9P12 L13 E91 K92 L93 Y114 F115 V327 Y330P12-L85 HydrophobicContact CG-CD2 3.62Å; L13-L85 HydrophobicContact CD2-CD2 3.98Å; L85-E91 HydrophobicContact CB-CB 4.03Å; L85-E91 PolarHBondContact N-O 3.4Å; L85-K92 VanDerWaalsContact CD1-C 3.41Å; L85-K92 WeakPolarHBondContact CD1-O 3.4Å; L85-L93 HydrophobicContact CD1-CB 4.04Å; L85-L93 HydrophobicContact CD2-CB 3.94Å; L85-L93 HydrophobicContact CG-CB 3.88Å; L85-Y114 HydrophobicContact CD1-CD1 3.93Å; L85-Y114 HydrophobicContact CD1-CE1 3.87Å; L85-F115 HydrophobicContact CD1-CE1 4.36Å; L85-V327 HydrophobicContact CB-CG2 4.04Å; L85-Y330 WeakPolarHBondContact O-CD1 3.42Å
86D93.8Very high95.5Very high4 Ų458.5 Ų58.52%0.02131%0.305CS..SBendtrans-148.9164.3172.959.949.2000112.6I88 G89 K90 E91 S326D86-I88 PolarHBondContact O-N 3.21Å; D86-I88 VanDerWaalsContact O-N 3.14Å; D86-I88 WeakPolarHBondContact OD1-CG1 3.47Å; D86-I88 PolarHBondContact OD1-N 2.87Å; D86-I88 VanDerWaalsContact OD1-N 3.14Å; D86-G89 PolarHBondContact O-N 3.47Å; D86-G89 PolarHBondContact OD1-N 3.25Å; D86-K90 PolarHBondContact OD1-N 3.04Å; D86-E91 WeakPolarHBondContact OD2-CB 3.37Å; D86-E91 WeakPolarHBondContact OD2-CG 3.43Å; D86-E91 PolarHBondContact OD2-N 3.4Å; D86-S326 WeakPolarHBondContact OD2-CB 3.38Å; D86-S326 PolarHBondContact OD2-OG 2.84Å
87D89.8Confident95.5Very high90 Ų9053.6 Ų53.648%0.48128%0.282SS..THydrogen-bonded Turntrans-62.3-15.6-179.5-81.3-13.3000113.9Y330 K333D87-Y330 VanDerWaalsContact OD1-CD2 3.29Å; D87-Y330 WeakPolarHBondContact OD1-CD2 3.41Å; D87-Y330 VanDerWaalsContact OD1-CE2 3.25Å; D87-Y330 WeakPolarHBondContact OD1-CE2 3.2Å; D87-K333 IonicContact OD1-NZ 3.14Å; D87-K333 VanDerWaalsContact OD2-CD 3.29Å; D87-K333 WeakPolarHBondContact OD2-CD 3.41Å; D87-K333 WeakPolarHBondContact OD2-CE 3.49Å; D87-K333 IonicContact OD2-NZ 2.67Å; D87-K333 PolarHBondContact OD2-NZ 3.16Å
88I90.8Very high95.5Very high129 Ų12950.5 Ų50.566%0.66227%0.266SS*.THydrogen-bonded Turntrans-105.3-0.8-175.861.9172.3000113.2D86 K90D86-I88 PolarHBondContact O-N 3.21Å; D86-I88 VanDerWaalsContact O-N 3.14Å; D86-I88 WeakPolarHBondContact OD1-CG1 3.47Å; D86-I88 PolarHBondContact OD1-N 2.87Å; D86-I88 VanDerWaalsContact OD1-N 3.14Å; I88-K90 HydrophobicContact CD1-CB 3.84Å; I88-K90 HydrophobicContact CD1-CD 4.27Å; I88-K90 HydrophobicContact CG1-CB 3.81Å; I88-K90 PolarHBondContact O-N 3.09Å
89G89.4Confident95.8Very high31 Ų3151.7 Ų51.732%0.3227%0.269SS..SBendtrans64.821.9-178.500000114.4D86 K92D86-G89 PolarHBondContact O-N 3.47Å; D86-G89 PolarHBondContact OD1-N 3.25Å; G89-K92 WeakPolarHBondContact O-CE 3.36Å
90K93.3Very high96Very high130 Ų13046.1 Ų46.157%0.56524%0.243SC*.  trans-76.4-61.1-179.4175.9-173.3176.9-99.90110D86 I88D86-K90 PolarHBondContact OD1-N 3.04Å; I88-K90 HydrophobicContact CD1-CB 3.84Å; I88-K90 HydrophobicContact CD1-CD 4.27Å; I88-K90 HydrophobicContact CG1-CB 3.81Å; I88-K90 PolarHBondContact O-N 3.09Å
91E96.4Very high96.1Very high42 Ų4244.1 Ų44.120%0.19623%0.228CC..SBendtrans-84.3142.1174.3-55.8-56.2150.600110.4L85 D86 P324 V327L85-E91 HydrophobicContact CB-CB 4.03Å; L85-E91 PolarHBondContact N-O 3.4Å; D86-E91 WeakPolarHBondContact OD2-CB 3.37Å; D86-E91 WeakPolarHBondContact OD2-CG 3.43Å; D86-E91 PolarHBondContact OD2-N 3.4Å; E91-P324 HydrophobicContact CG-CB 3.83Å; E91-P324 HydrophobicContact CG-CG 3.99Å; E91-V327 HydrophobicContact CB-CG2 3.69Å; E91-V327 HydrophobicContact CG-CG2 3.74Å
92K96.2Very high96.1Very high112 Ų11241.3 Ų41.349%0.48722%0.217SC..EExtended strand (participates in β ladder)trans-137.7148.5-173.6-62.3-177.6-174176.90111.7L82 L83 L85 G89L82-K92 HydrophobicContact CD2-CD 4.35Å; L83-K92 WeakPolarHBondContact O-CA 3.31Å; L85-K92 VanDerWaalsContact CD1-C 3.41Å; L85-K92 WeakPolarHBondContact CD1-O 3.4Å; G89-K92 WeakPolarHBondContact O-CE 3.36Å
93L97.6Very high96.1Very high0 Ų036.5 Ų36.50%019%0.193CC..EExtended strand (participates in β ladder)trans-101.4129.9169171.266.9000107.8L13 L28 F30 L82 L83 L85 V95 F111 F115L13-L93 HydrophobicContact CD1-CD1 4.15Å; L13-L93 HydrophobicContact CD1-CD2 4.26Å; L13-L93 HydrophobicContact CD2-CD2 3.86Å; L28-L93 HydrophobicContact CD2-CD2 3.83Å; F30-L93 HydrophobicContact CE2-CD2 4.46Å; F30-L93 HydrophobicContact CZ-CD2 3.89Å; L82-L93 CarbonylContact C-O 3.41Å; L82-L93 WeakPolarHBondContact CA-O 3.49Å; L83-L93 HydrophobicContact CB-CB 4.38Å; L83-L93 HydrophobicContact CB-CD2 4.47Å; L83-L93 HydrophobicContact CD1-CD2 4.3Å; L83-L93 PolarHBondContact N-O 3.31Å; L83-L93 PolarHBondContact O-N 2.83Å; L85-L93 HydrophobicContact CD1-CB 4.04Å; L85-L93 HydrophobicContact CD2-CB 3.94Å; L85-L93 HydrophobicContact CG-CB 3.88Å; L93-V95 HydrophobicContact CD2-CB 4.3Å; L93-V95 HydrophobicContact CG-CB 4.34Å; L93-F111 HydrophobicContact CD1-CB 3.88Å; L93-F111 HydrophobicContact CD1-CD1 4Å; L93-F111 HydrophobicContact CD1-CG 4.38Å; L93-F111 HydrophobicContact CD2-CD1 4.13Å; L93-F115 HydrophobicContact CD1-CE1 4.42Å; L93-F115 HydrophobicContact CD1-CZ 3.79Å
94T97.9Very high96.1Very high36 Ų3637.6 Ų37.622%0.22120%0.201CC..EExtended strand (participates in β ladder)trans-90.2130.6153.5-54.70000107.7P80 Y81 E112P80-T94 HydrophobicContact CB-CG2 3.78Å; Y81-T94 CarbonylContact O-C 3.59Å; Y81-T94 WeakPolarHBondContact O-CA 3.35Å; T94-E112 PolarHBondContact N-O 3.44Å; T94-E112 PolarHBondContact O-N 3.2Å
95V98.4Very high96.2Very high0 Ų036.1 Ų36.10%019%0.194CC..EExtended strand (participates in β ladder)trans-123.8129.6170.260.90000110.1F30 L75 Y81 L83 L93 L97 F109 L110 F111F30-V95 HydrophobicContact CE1-CB 4.5Å; F30-V95 HydrophobicContact CE1-CG1 4.28Å; F30-V95 HydrophobicContact CE1-CG2 4.04Å; L75-V95 HydrophobicContact CD1-CG1 3.89Å; Y81-V95 PolarHBondContact N-O 3.4Å; Y81-V95 PolarHBondContact O-N 3.11Å; L83-V95 HydrophobicContact CD1-CG1 3.72Å; L83-V95 HydrophobicContact CG-CG1 4.2Å; L93-V95 HydrophobicContact CD2-CB 4.3Å; L93-V95 HydrophobicContact CG-CB 4.34Å; V95-L97 HydrophobicContact CG2-CD1 4.21Å; V95-F109 HydrophobicContact CG2-CB 4.45Å; V95-F109 HydrophobicContact CG2-CD1 3.97Å; V95-L110 VanDerWaalsContact CA-O 3.31Å; V95-L110 WeakPolarHBondContact CA-O 3.41Å; V95-F111 HydrophobicContact CB-CD1 4Å; V95-F111 HydrophobicContact CB-CE1 4.28Å; V95-F111 HydrophobicContact CG2-CD1 3.62Å; V95-F111 HydrophobicContact CG2-CE1 3.57Å
96T98.1Very high96.4Very high4 Ų436.2 Ų36.23%0.02520%0.195CC..EExtended strand (participates in β ladder)trans-119.7131.2173.2-51.20000108.8L110 C135T96-L110 PolarHBondContact N-O 2.97Å; T96-L110 PolarHBondContact O-N 3.34Å; T96-C135 HydrophobicContact CG2-CB 4.11Å
97L98.6Very high96.6Very high0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-89.7141.8174.8-81.564.5000109.5L75 L77 C78 V95 V107 M108 F109L75-L97 HydrophobicContact CB-CD1 3.82Å; L75-L97 HydrophobicContact CB-CD2 3.95Å; L75-L97 HydrophobicContact CD1-CD1 3.87Å; L75-L97 HydrophobicContact CG-CD1 4.47Å; L75-L97 WeakPolarHBondContact O-CD2 3.42Å; L77-L97 HydrophobicContact CG-CB 4.37Å; C78-L97 WeakPolarHBondContact CA-O 3.36Å; C78-L97 PolarHBondContact N-O 2.74Å; V95-L97 HydrophobicContact CG2-CD1 4.21Å; L97-V107 HydrophobicContact CB-CB 4.34Å; L97-V107 HydrophobicContact CB-CG1 4.26Å; L97-V107 HydrophobicContact CD2-CB 4.4Å; L97-V107 HydrophobicContact CD2-CG1 4.26Å; L97-V107 HydrophobicContact CD2-CG2 3.94Å; L97-V107 HydrophobicContact CG-CB 4.31Å; L97-V107 HydrophobicContact CG-CG2 4.09Å; L97-M108 WeakPolarHBondContact CA-O 3.37Å; L97-F109 HydrophobicContact CD1-CD1 3.71Å; L97-F109 HydrophobicContact CD1-CE1 3.69Å; L97-F109 HydrophobicContact CD2-CE1 4.12Å; L97-F109 HydrophobicContact CG-CD1 3.84Å; L97-F109 HydrophobicContact CG-CE1 3.66Å
98I98.1Very high97Very high3 Ų331.8 Ų31.82%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-132.1140.5177.8-49.7172.7000107.7A100 V107 M108 L119 E133 L136I98-A100 PolarHBondContact O-N 3.07Å; I98-V107 CarbonylContact O-C 3.16Å; I98-V107 WeakPolarHBondContact O-CA 3.26Å; I98-V107 WeakPolarHBondContact O-CB 3.28Å; I98-M108 HydrophobicContact CB-CB 4.29Å; I98-M108 HydrophobicContact CB-CE 3.94Å; I98-M108 HydrophobicContact CD1-CE 4.48Å; I98-M108 HydrophobicContact CG2-CE 3.6Å; I98-M108 PolarHBondContact N-O 3.09Å; I98-M108 PolarHBondContact O-N 3.35Å; I98-L119 HydrophobicContact CD1-CD1 4.37Å; I98-E133 HydrophobicContact CG2-CG 3.99Å; I98-L136 HydrophobicContact CD1-CD1 3.76Å; I98-L136 HydrophobicContact CD1-CD2 4.16Å; I98-L136 HydrophobicContact CD1-CG 3.81Å
99D98.3Very high97.4Very high76 Ų7625.6 Ų25.641%0.40614%0.14SC..EExtended strand (participates in β ladder)trans-56.2125.6174.8176.630.9000111L77 N101L77-D99 HydrophobicContact CD2-CB 4.07Å; D99-N101 VanDerWaalsContact C-N 3.32Å; D99-N101 VanDerWaalsContact CG-N 3.33Å; D99-N101 WeakPolarHBondContact OD1-CA 3.35Å; D99-N101 PolarHBondContact OD1-N 3.36Å
100A98.5Very high97.8Very high0 Ų024.2 Ų24.20%013%0.125CC..  trans-83.8-10.4174.500000112.5I98 H102 A106 M108 D123 F124 R125I98-A100 PolarHBondContact O-N 3.07Å; A100-H102 HydrophobicContact CB-CB 4.47Å; A100-H102 PolarHBondContact O-N 3.08Å; A100-A106 HydrophobicContact CB-CB 4.05Å; A100-A106 WeakPolarHBondContact CB-O 3.45Å; A100-A106 PolarHBondContact N-O 3.2Å; A100-M108 HydrophobicContact CB-CG 3.98Å; A100-D123 WeakPolarHBondContact CB-O 3.01Å; A100-F124 HydrophobicContact CB-CB 3.83Å; A100-F124 CarbonylContact O-C 3.56Å; A100-F124 VanDerWaalsContact O-CA 3.24Å; A100-F124 WeakPolarHBondContact O-CA 3.45Å; A100-F124 WeakPolarHBondContact O-CB 3.3Å; A100-R125 PolarHBondContact O-N 3.43Å
101N98.1Very high98.1Very high30 Ų3018 Ų1816%0.1610%0.098CC..SBendtrans57.523.1178.2-179.849.3000113.3D99 R125 M130 R161D99-N101 VanDerWaalsContact C-N 3.32Å; D99-N101 VanDerWaalsContact CG-N 3.33Å; D99-N101 WeakPolarHBondContact OD1-CA 3.35Å; D99-N101 PolarHBondContact OD1-N 3.36Å; N101-R125 PolarHBondContact ND2-O 3.19Å; N101-M130 HydrophobicContact CB-CE 3.58Å; N101-R161 PolarHBondContact ND2-NH2 3.2Å; N101-R161 PolarHBondContact O-NH1 2.85Å; N101-R161 PolarHBondContact OD1-NH2 3.23Å
102H98.1Very high98.1Very high8 Ų819 Ų194%0.03710%0.102CC..SBendtrans-94.5-71.1-175.7170.879000111.8H33 H35 A100 A106 D123 D278 H279H33-H102 AromaticContact CD2-CD2 3.89Å; H33-H102 AromaticContact CD2-NE2 3.99Å; H33-H102 AromaticContact NE2-CD2 3.97Å; H33-H102 AromaticContact NE2-NE2 3.76Å; H35-H102 AromaticContact CE1-NE2 3.26Å; H35-H102 PolarHBondContact CE1-NE2 2.83Å; H35-H102 VanDerWaalsContact CE1-NE2 3.26Å; H35-H102 AromaticContact ND1-NE2 3.67Å; H35-H102 AromaticContact NE2-NE2 3.97Å; A100-H102 HydrophobicContact CB-CB 4.47Å; A100-H102 PolarHBondContact O-N 3.08Å; H102-A106 HydrophobicContact CB-CB 4.01Å; H102-D123 WeakPolarHBondContact CB-O 3.23Å; H102-D278 PolarHBondContact ND1-O 2.86Å; H102-D278 WeakPolarHBondContact O-CB 3.48Å; H102-H279 AromaticContact CE1-CE1 3.52Å; H102-H279 AromaticContact CE1-ND1 3.95Å; H102-H279 AromaticContact CE1-NE2 3.69Å
103C97.8Very high98.1Very high10 Ų1015 Ų157%0.0689%0.093CC..SBendtrans-137.4166.8174.173.80000110.3G105 A106 L187C103-G105 PolarHBondContact O-N 2.88Å; C103-G105 VanDerWaalsContact O-N 3.16Å; C103-A106 WeakPolarHBondContact O-CB 3.26Å; C103-A106 PolarHBondContact O-N 3.26Å; C103-L187 HydrophobicContact CB-CG 4.29Å
104P97.9Very high98Very high36 Ų3617.5 Ų17.523%0.23410%0.103CC..THydrogen-bonded Turntrans-55.2121.1-175.5-2836.6000112.9V56 L187 E190 L217V56-P104 HydrophobicContact CG1-CB 4.37Å; P104-L187 HydrophobicContact CB-CD1 4.35Å; P104-L187 HydrophobicContact CG-CD1 4.23Å; P104-E190 VanDerWaalsContact CD-OE2 3.28Å; P104-E190 WeakPolarHBondContact CD-OE2 3.47Å; P104-E190 WeakPolarHBondContact CG-OE2 3.42Å; P104-L217 HydrophobicContact CB-CD1 3.86Å; P104-L217 HydrophobicContact CB-CD2 3.54Å; P104-L217 HydrophobicContact CB-CG 4.32Å; P104-L217 HydrophobicContact CG-CD1 3.89Å; P104-L217 HydrophobicContact CG-CD2 4.47Å
105G97.9Very high97.9Very high18 Ų1816.3 Ų16.319%0.18610%0.095CC..THydrogen-bonded Turntrans85.21.4-176.800000116.1S54 T57 C103S54-G105 WeakPolarHBondContact CB-O 3.35Å; S54-G105 WeakPolarHBondContact OG-CA 3.44Å; S54-G105 PolarHBondContact OG-O 3.21Å; T57-G105 PolarHBondContact OG1-O 3.28Å; C103-G105 PolarHBondContact O-N 2.88Å; C103-G105 VanDerWaalsContact O-N 3.16Å
106A98.7Very high97.7Very high1 Ų117.6 Ų17.61%0.00811%0.108CC..  trans-71.8128.917800000112.2T32 H33 A100 H102 C103T32-A106 WeakPolarHBondContact O-CA 3.42Å; H33-A106 HydrophobicContact CB-CB 3.64Å; A100-A106 HydrophobicContact CB-CB 4.05Å; A100-A106 WeakPolarHBondContact CB-O 3.45Å; A100-A106 PolarHBondContact N-O 3.2Å; H102-A106 HydrophobicContact CB-CB 4.01Å; C103-A106 WeakPolarHBondContact O-CB 3.26Å; C103-A106 PolarHBondContact O-N 3.26Å
107V98.9Very high97.6Very high1 Ų117.7 Ų17.71%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-131.6143.1-178.1-69.30000113.7T32 L77 L97 I98 F109T32-V107 PolarHBondContact O-N 3.06Å; L77-V107 HydrophobicContact CD1-CG1 3.9Å; L77-V107 HydrophobicContact CD2-CG1 4.18Å; L77-V107 HydrophobicContact CG-CG1 4.01Å; L97-V107 HydrophobicContact CB-CB 4.34Å; L97-V107 HydrophobicContact CB-CG1 4.26Å; L97-V107 HydrophobicContact CD2-CB 4.4Å; L97-V107 HydrophobicContact CD2-CG1 4.26Å; L97-V107 HydrophobicContact CD2-CG2 3.94Å; L97-V107 HydrophobicContact CG-CB 4.31Å; L97-V107 HydrophobicContact CG-CG2 4.09Å; I98-V107 CarbonylContact O-C 3.16Å; I98-V107 WeakPolarHBondContact O-CA 3.26Å; I98-V107 WeakPolarHBondContact O-CB 3.28Å; V107-F109 HydrophobicContact CG2-CE1 4.04Å; V107-F109 HydrophobicContact CG2-CE2 4.3Å; V107-F109 HydrophobicContact CG2-CZ 3.82Å
108M98.8Very high97.5Very high0 Ų017.8 Ų17.80%011%0.11CC..EExtended strand (participates in β ladder)trans-80.4149.1158.8-44.5-169-80.300109L97 I98 A100 L119 Y120 T121 F124 M130 F288L97-M108 WeakPolarHBondContact CA-O 3.37Å; I98-M108 HydrophobicContact CB-CB 4.29Å; I98-M108 HydrophobicContact CB-CE 3.94Å; I98-M108 HydrophobicContact CD1-CE 4.48Å; I98-M108 HydrophobicContact CG2-CE 3.6Å; I98-M108 PolarHBondContact N-O 3.09Å; I98-M108 PolarHBondContact O-N 3.35Å; A100-M108 HydrophobicContact CB-CG 3.98Å; M108-L119 HydrophobicContact CB-CD1 4.32Å; M108-Y120 CarbonylContact C-O 3.57Å; M108-Y120 WeakPolarHBondContact CA-O 3.47Å; M108-Y120 WeakPolarHBondContact CB-O 3.45Å; M108-T121 WeakPolarHBondContact CG-O 3.13Å; M108-T121 HydrophobicContact SD-CG2 4.02Å; M108-F124 HydrophobicContact SD-CB 4.47Å; M108-F124 HydrophobicContact SD-CD2 3.84Å; M108-F124 HydrophobicContact SD-CE2 4.47Å; M108-F124 HydrophobicContact SD-CG 4.34Å; M108-M130 HydrophobicContact CE-CB 4.41Å; M108-M130 HydrophobicContact CE-CG 4.22Å; M108-M130 HydrophobicContact CE-SD 3.95Å; M108-F288 HydrophobicContact SD-CZ 4.29Å
109F98.8Very high97.5Very high0 Ų017.7 Ų17.70%011%0.109CC..EExtended strand (participates in β ladder)trans-113.6121.7172.9-62-76.4000110.5V15 F30 T32 V95 L97 V107 F111 Y120V15-F109 HydrophobicContact CG1-CD2 4.13Å; V15-F109 HydrophobicContact CG1-CE2 4.09Å; F30-F109 HydrophobicContact CB-CD2 4.24Å; F30-F109 HydrophobicContact CB-CE1 4.38Å; F30-F109 HydrophobicContact CB-CE2 3.76Å; F30-F109 HydrophobicContact CB-CZ 3.85Å; F30-F109 HydrophobicContact CD1-CD1 4.02Å; F30-F109 AromaticContact CD1-CE1 3.8Å; F30-F109 HydrophobicContact CD1-CE1 3.8Å; F30-F109 HydrophobicContact CD1-CZ 4.12Å; F30-F109 HydrophobicContact CG-CZ 4.47Å; T32-F109 HydrophobicContact CG2-CD2 3.96Å; T32-F109 HydrophobicContact CG2-CE2 3.6Å; V95-F109 HydrophobicContact CG2-CB 4.45Å; V95-F109 HydrophobicContact CG2-CD1 3.97Å; L97-F109 HydrophobicContact CD1-CD1 3.71Å; L97-F109 HydrophobicContact CD1-CE1 3.69Å; L97-F109 HydrophobicContact CD2-CE1 4.12Å; L97-F109 HydrophobicContact CG-CD1 3.84Å; L97-F109 HydrophobicContact CG-CE1 3.66Å; V107-F109 HydrophobicContact CG2-CE1 4.04Å; V107-F109 HydrophobicContact CG2-CE2 4.3Å; V107-F109 HydrophobicContact CG2-CZ 3.82Å; F109-F111 HydrophobicContact CB-CD1 4.39Å; F109-F111 HydrophobicContact CB-CD2 4.22Å; F109-F111 HydrophobicContact CB-CE1 3.81Å; F109-F111 HydrophobicContact CB-CE2 3.61Å; F109-F111 HydrophobicContact CB-CZ 3.39Å; F109-F111 HydrophobicContact CD1-CE1 4.49Å; F109-F111 HydrophobicContact CD1-CZ 4.42Å; F109-F111 HydrophobicContact CD2-CZ 4.18Å; F109-F111 HydrophobicContact CG-CE1 4.23Å; F109-F111 HydrophobicContact CG-CE2 4.38Å; F109-F111 AromaticContact CG-CZ 3.78Å; F109-F111 HydrophobicContact CG-CZ 3.78Å; F109-Y120 PolarHBondContact N-O 2.88Å; F109-Y120 PolarHBondContact O-N 2.8Å
110L98.3Very high97.5Very high1 Ų114 Ų141%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-90.8118.2162178.965.4000108.3V95 T96 E112 L119 C135 L136 I142V95-L110 VanDerWaalsContact CA-O 3.31Å; V95-L110 WeakPolarHBondContact CA-O 3.41Å; T96-L110 PolarHBondContact N-O 2.97Å; T96-L110 PolarHBondContact O-N 3.34Å; L110-E112 HydrophobicContact CG-CG 4.28Å; L110-L119 HydrophobicContact CB-CD1 4.24Å; L110-L119 HydrophobicContact CD1-CB 4.41Å; L110-C135 HydrophobicContact CD2-CB 3.95Å; L110-C135 WeakPolarHBondContact CD2-O 3.44Å; L110-L136 HydrophobicContact CD2-CD2 4.49Å; L110-I142 HydrophobicContact CD1-CD1 3.75Å
111F98.3Very high97.5Very high0 Ų014 Ų140%09%0.09CC..EExtended strand (participates in β ladder)trans-110.1125.7177.4-59.4-63.2000110.1I8 L13 V15 F30 L93 V95 F109 F115 A117 I118I8-F111 HydrophobicContact CD1-CD2 4Å; I8-F111 HydrophobicContact CD1-CE2 3.82Å; L13-F111 HydrophobicContact CD1-CB 4.46Å; L13-F111 HydrophobicContact CD1-CD1 4.28Å; L13-F111 HydrophobicContact CD1-CG 4.23Å; V15-F111 HydrophobicContact CG2-CE2 3.9Å; V15-F111 HydrophobicContact CG2-CZ 3.98Å; F30-F111 HydrophobicContact CB-CZ 4.44Å; F30-F111 AromaticContact CD1-CE1 3.85Å; F30-F111 HydrophobicContact CD1-CE1 3.85Å; F30-F111 HydrophobicContact CD1-CZ 4.1Å; F30-F111 AromaticContact CD2-CE1 3.94Å; F30-F111 HydrophobicContact CD2-CE1 3.94Å; F30-F111 AromaticContact CD2-CZ 3.89Å; F30-F111 HydrophobicContact CD2-CZ 3.89Å; F30-F111 AromaticContact CE1-CE1 3.71Å; F30-F111 HydrophobicContact CE1-CE1 3.71Å; F30-F111 HydrophobicContact CE1-CZ 4.4Å; F30-F111 AromaticContact CE2-CE1 3.78Å; F30-F111 HydrophobicContact CE2-CE1 3.78Å; F30-F111 HydrophobicContact CE2-CZ 4.18Å; F30-F111 AromaticContact CG-CE1 4Å; F30-F111 HydrophobicContact CG-CE1 4Å; F30-F111 AromaticContact CG-CZ 3.87Å; F30-F111 HydrophobicContact CG-CZ 3.87Å; F30-F111 AromaticContact CZ-CE1 3.68Å; F30-F111 HydrophobicContact CZ-CE1 3.68Å; F30-F111 HydrophobicContact CZ-CZ 4.44Å; L93-F111 HydrophobicContact CD1-CB 3.88Å; L93-F111 HydrophobicContact CD1-CD1 4Å; L93-F111 HydrophobicContact CD1-CG 4.38Å; L93-F111 HydrophobicContact CD2-CD1 4.13Å; V95-F111 HydrophobicContact CB-CD1 4Å; V95-F111 HydrophobicContact CB-CE1 4.28Å; V95-F111 HydrophobicContact CG2-CD1 3.62Å; V95-F111 HydrophobicContact CG2-CE1 3.57Å; F109-F111 HydrophobicContact CB-CD1 4.39Å; F109-F111 HydrophobicContact CB-CD2 4.22Å; F109-F111 HydrophobicContact CB-CE1 3.81Å; F109-F111 HydrophobicContact CB-CE2 3.61Å; F109-F111 HydrophobicContact CB-CZ 3.39Å; F109-F111 HydrophobicContact CD1-CE1 4.49Å; F109-F111 HydrophobicContact CD1-CZ 4.42Å; F109-F111 HydrophobicContact CD2-CZ 4.18Å; F109-F111 HydrophobicContact CG-CE1 4.23Å; F109-F111 HydrophobicContact CG-CE2 4.38Å; F109-F111 AromaticContact CG-CZ 3.78Å; F109-F111 HydrophobicContact CG-CZ 3.78Å; F111-F115 HydrophobicContact CB-CE2 4.14Å; F111-F115 HydrophobicContact CB-CZ 4.15Å; F111-A117 WeakPolarHBondContact O-CA 3.42Å; F111-I118 HydrophobicContact CB-CB 4.34Å; F111-I118 HydrophobicContact CD2-CG2 4.46Å; F111-I118 PolarHBondContact N-O 2.98Å; F111-I118 PolarHBondContact O-N 3.1Å
112E97.1Very high97.6Very high62 Ų6212.6 Ų12.629%0.298%0.082SC..EExtended strand (participates in β ladder)trans-125.5130.7177.6-59.1174.4112.200110.1T94 L110 A117T94-E112 PolarHBondContact N-O 3.44Å; T94-E112 PolarHBondContact O-N 3.2Å; L110-E112 HydrophobicContact CG-CG 4.28Å; E112-A117 HydrophobicContact CG-CB 4.42Å
113G96Very high97.6Very high29 Ų2912.5 Ų12.530%0.2998%0.082SC..EExtended strand (participates in β ladder)trans-173-159.9-178.900000113F115 G116G113-F115 PolarHBondContact O-N 3.46Å; G113-G116 PolarHBondContact N-O 2.87Å; G113-G116 PolarHBondContact O-N 3.34Å
114Y95.7Very high97.6Very high52 Ų5212 Ų1220%0.2048%0.079CC..THydrogen-bonded Turntrans-58.5-18.1179.568.9-100.7000114.2D10 T11 L85 V321 V323 P324 V327D10-Y114 PolarHBondContact O-OH 2.99Å; T11-Y114 WeakPolarHBondContact CA-OH 3.01Å; L85-Y114 HydrophobicContact CD1-CD1 3.93Å; L85-Y114 HydrophobicContact CD1-CE1 3.87Å; Y114-V321 HydrophobicContact CD2-CG1 3.99Å; Y114-V321 HydrophobicContact CE2-CG1 3.76Å; Y114-V323 HydrophobicContact CE2-CB 4.39Å; Y114-V323 HydrophobicContact CE2-CG1 4.3Å; Y114-V323 HydrophobicContact CE2-CG2 4.34Å; Y114-P324 HydrophobicContact CD1-CG 3.9Å; Y114-P324 VanDerWaalsContact CD2-CD 3.46Å; Y114-P324 HydrophobicContact CD2-CG 4.19Å; Y114-P324 HydrophobicContact CE1-CG 4.47Å; Y114-P324 VanDerWaalsContact CG-CD 3.49Å; Y114-P324 HydrophobicContact CG-CG 3.75Å; Y114-V327 HydrophobicContact CD1-CG2 4.34Å; Y114-V327 HydrophobicContact CE1-CB 4.32Å; Y114-V327 HydrophobicContact CE1-CG1 3.96Å; Y114-V327 HydrophobicContact CE1-CG2 3.88Å
115F94.9Very high97.6Very high11 Ų1110.6 Ų10.65%0.0487%0.069CC..THydrogen-bonded Turntrans-923.9-178.551.7-104.1000113.7T11 L13 L85 L93 F111 G113 I118 V321T11-F115 HydrophobicContact CG2-CB 4.13Å; T11-F115 HydrophobicContact CG2-CD1 3.43Å; T11-F115 VanDerWaalsContact CG2-CD1 3.43Å; T11-F115 HydrophobicContact CG2-CE1 3.94Å; T11-F115 HydrophobicContact CG2-CG 3.77Å; L13-F115 HydrophobicContact CD1-CE1 4.1Å; L13-F115 HydrophobicContact CD1-CZ 3.91Å; L85-F115 HydrophobicContact CD1-CE1 4.36Å; L93-F115 HydrophobicContact CD1-CE1 4.42Å; L93-F115 HydrophobicContact CD1-CZ 3.79Å; F111-F115 HydrophobicContact CB-CE2 4.14Å; F111-F115 HydrophobicContact CB-CZ 4.15Å; G113-F115 PolarHBondContact O-N 3.46Å; F115-I118 HydrophobicContact CD2-CD1 3.5Å; F115-I118 VanDerWaalsContact CD2-CD1 3.5Å; F115-I118 HydrophobicContact CD2-CG1 3.79Å; F115-I118 HydrophobicContact CE2-CB 4.47Å; F115-I118 HydrophobicContact CE2-CD1 3.79Å; F115-I118 HydrophobicContact CE2-CG1 3.93Å; F115-I118 HydrophobicContact CG-CD1 4.31Å; F115-V321 HydrophobicContact CB-CG1 3.78Å; F115-V321 HydrophobicContact CB-CG2 4.25Å
116G94.6Very high97.6Very high27 Ų2710.5 Ų10.528%0.2786%0.063SC..EExtended strand (participates in β ladder)trans92.1-155.6-173.800000112.8G113 D143G113-G116 PolarHBondContact N-O 2.87Å; G113-G116 PolarHBondContact O-N 3.34Å; G116-D143 VanDerWaalsContact CA-OD2 3.3Å; G116-D143 WeakPolarHBondContact CA-OD2 3.35Å
117A95.4Very high97.6Very high6 Ų612.6 Ų12.65%0.058%0.075CC..EExtended strand (participates in β ladder)trans-104.4120.5177.300000111.5F111 E112 T140 I142 D143 I144F111-A117 WeakPolarHBondContact O-CA 3.42Å; E112-A117 HydrophobicContact CG-CB 4.42Å; A117-T140 HydrophobicContact CB-CG2 3.7Å; A117-I142 HydrophobicContact CB-CD1 4.38Å; A117-D143 PolarHBondContact N-OD2 3.44Å; A117-D143 WeakPolarHBondContact O-CB 3.18Å; A117-D143 PolarHBondContact O-N 3.11Å; A117-I144 PolarHBondContact O-N 3.48Å
118I97.7Very high97.4Very high3 Ų316.3 Ų16.32%0.01510%0.1CC..EExtended strand (participates in β ladder)trans-115.9120.5178.1-57.4179.7000108.7I8 F111 F115 I144 Y146I8-I118 HydrophobicContact CG2-CD1 3.69Å; F111-I118 HydrophobicContact CB-CB 4.34Å; F111-I118 HydrophobicContact CD2-CG2 4.46Å; F111-I118 PolarHBondContact N-O 2.98Å; F111-I118 PolarHBondContact O-N 3.1Å; F115-I118 HydrophobicContact CD2-CD1 3.5Å; F115-I118 VanDerWaalsContact CD2-CD1 3.5Å; F115-I118 HydrophobicContact CD2-CG1 3.79Å; F115-I118 HydrophobicContact CE2-CB 4.47Å; F115-I118 HydrophobicContact CE2-CD1 3.79Å; F115-I118 HydrophobicContact CE2-CG1 3.93Å; F115-I118 HydrophobicContact CG-CD1 4.31Å; I118-I144 WeakPolarHBondContact CA-O 3.49Å; I118-I144 HydrophobicContact CD1-CD1 4.2Å; I118-I144 HydrophobicContact CG1-CB 4.19Å; I118-I144 HydrophobicContact CG1-CD1 4.36Å; I118-I144 HydrophobicContact CG1-CG1 4.44Å; I118-I144 HydrophobicContact CG2-CB 4.31Å; I118-Y146 HydrophobicContact CG2-CD2 3.72Å; I118-Y146 HydrophobicContact CG2-CE2 3.72Å
119L98.1Very high97.2Very high0 Ų018.7 Ų18.70%012%0.116CC..EExtended strand (participates in β ladder)trans-100.2124.2170.1-178.260.2000109I98 M108 L110 L136 I142 I144 L145 Y146 F288 L292I98-L119 HydrophobicContact CD1-CD1 4.37Å; M108-L119 HydrophobicContact CB-CD1 4.32Å; L110-L119 HydrophobicContact CB-CD1 4.24Å; L110-L119 HydrophobicContact CD1-CB 4.41Å; L119-L136 HydrophobicContact CD2-CD1 4.48Å; L119-L136 HydrophobicContact CD2-CD2 4.12Å; L119-I142 HydrophobicContact CB-CD1 4.26Å; L119-I142 HydrophobicContact CB-CG2 3.97Å; L119-I144 PolarHBondContact N-O 3.04Å; L119-L145 HydrophobicContact CB-CD1 3.96Å; L119-L145 HydrophobicContact CD2-CD1 3.95Å; L119-L145 HydrophobicContact CG-CD1 3.91Å; L119-L145 WeakPolarHBondContact O-CA 3.48Å; L119-Y146 PolarHBondContact O-N 3.41Å; L119-F288 HydrophobicContact CD2-CZ 4.08Å; L119-L292 HydrophobicContact CD2-CD1 3.63Å
120Y98.7Very high97Very high0 Ų019 Ų190%012%0.118CC..EExtended strand (participates in β ladder)trans-114.3110.6176.6-167.1-77.1000109.4K6 V15 T32 M108 F109 G122 Y146 I300K6-Y120 HydrophobicContact CB-CE2 4.09Å; K6-Y120 HydrophobicContact CG-CE2 3.92Å; V15-Y120 HydrophobicContact CB-CD1 4.17Å; V15-Y120 HydrophobicContact CB-CD2 4.28Å; V15-Y120 HydrophobicContact CB-CE1 3.84Å; V15-Y120 HydrophobicContact CB-CE2 3.97Å; V15-Y120 HydrophobicContact CB-CG 4.39Å; V15-Y120 HydrophobicContact CG1-CD1 3.67Å; V15-Y120 HydrophobicContact CG1-CE1 3.42Å; V15-Y120 VanDerWaalsContact CG1-CE1 3.42Å; V15-Y120 HydrophobicContact CG1-CE2 4.46Å; V15-Y120 HydrophobicContact CG1-CG 4.31Å; V15-Y120 HydrophobicContact CG2-CD1 4.29Å; V15-Y120 HydrophobicContact CG2-CD2 3.99Å; V15-Y120 HydrophobicContact CG2-CE1 4.42Å; V15-Y120 HydrophobicContact CG2-CE2 4.14Å; V15-Y120 HydrophobicContact CG2-CG 4.08Å; T32-Y120 HydrophobicContact CG2-CD1 4.09Å; T32-Y120 HydrophobicContact CG2-CE1 4Å; M108-Y120 CarbonylContact C-O 3.57Å; M108-Y120 WeakPolarHBondContact CA-O 3.47Å; M108-Y120 WeakPolarHBondContact CB-O 3.45Å; F109-Y120 PolarHBondContact N-O 2.88Å; F109-Y120 PolarHBondContact O-N 2.8Å; Y120-G122 VanDerWaalsContact C-N 3.31Å; Y120-G122 VanDerWaalsContact CD1-N 3.34Å; Y120-G122 PolarHBondContact O-N 3.35Å; Y120-Y146 AromaticContact CD2-CD1 3.91Å; Y120-Y146 HydrophobicContact CD2-CD1 3.91Å; Y120-Y146 AromaticContact CD2-CD2 3.86Å; Y120-Y146 HydrophobicContact CD2-CD2 3.86Å; Y120-Y146 AromaticContact CD2-CG 3.45Å; Y120-Y146 HydrophobicContact CD2-CG 3.45Å; Y120-Y146 VanDerWaalsContact CD2-CG 3.45Å; Y120-Y146 AromaticContact CE2-CD1 3.75Å; Y120-Y146 HydrophobicContact CE2-CD1 3.75Å; Y120-Y146 HydrophobicContact CE2-CE1 4.45Å; Y120-Y146 AromaticContact CE2-CG 3.78Å; Y120-Y146 HydrophobicContact CE2-CG 3.78Å; Y120-Y146 HydrophobicContact CG-CG 4.44Å; Y120-I300 HydrophobicContact CD1-CD1 4.11Å; Y120-I300 HydrophobicContact CE1-CD1 3.69Å; Y120-I300 HydrophobicContact CE1-CG1 4.42Å; Y120-I300 HydrophobicContact CE2-CD1 4.31Å; Y120-I300 HydrophobicContact CE2-CG1 4.34Å
121T98.6Very high96.7Very high0 Ų021.1 Ų21.10%013%0.129CC..  trans-72.7-21.9-173.258.60000114.2M108 F124 L145 Y146 L147 D148 F288M108-T121 WeakPolarHBondContact CG-O 3.13Å; M108-T121 HydrophobicContact SD-CG2 4.02Å; T121-F124 HydrophobicContact CG2-CD1 3.97Å; T121-F124 HydrophobicContact CG2-CD2 4.38Å; T121-F124 HydrophobicContact CG2-CE1 3.94Å; T121-F124 HydrophobicContact CG2-CE2 4.32Å; T121-F124 HydrophobicContact CG2-CG 4.23Å; T121-F124 HydrophobicContact CG2-CZ 4.13Å; T121-L145 HydrophobicContact CG2-CD1 3.91Å; T121-Y146 PolarHBondContact N-O 2.95Å; T121-Y146 PolarHBondContact OG1-O 3.14Å; T121-Y146 VanDerWaalsContact OG1-O 3.1Å; T121-L147 HydrophobicContact CG2-CD1 4.33Å; T121-D148 PolarHBondContact OG1-N 2.92Å; T121-F288 HydrophobicContact CG2-CE1 3.89Å; T121-F288 HydrophobicContact CG2-CZ 4.44Å
122G98.4Very high96.4Very high0 Ų028.5 Ų28.50%016%0.157CC..  trans59.6-142-159.900000109.6Y120 D148 I300Y120-G122 VanDerWaalsContact C-N 3.31Å; Y120-G122 VanDerWaalsContact CD1-N 3.34Å; Y120-G122 PolarHBondContact O-N 3.35Å; G122-D148 WeakPolarHBondContact O-CB 3.17Å; G122-I300 VanDerWaalsContact O-CD1 3.27Å; G122-I300 WeakPolarHBondContact O-CD1 3.44Å
123D98.5Very high96.1Very high5 Ų528.3 Ų28.33%0.02716%0.156CC..SBendtrans-95127.3164.5-72.916.2000108.3H38 A100 H102 D148 H279H38-D123 IonicContact CE1-OD1 3.63Å; H38-D123 PolarHBondContact CE1-OD1 3.37Å; H38-D123 IonicContact CE1-OD2 3.16Å; H38-D123 IonicContact NE2-OD1 3.55Å; H38-D123 PolarHBondContact NE2-OD1 3.02Å; H38-D123 IonicContact NE2-OD2 2.67Å; H38-D123 PolarHBondContact NE2-OD2 3.18Å; A100-D123 WeakPolarHBondContact CB-O 3.01Å; H102-D123 WeakPolarHBondContact CB-O 3.23Å; D123-D148 WeakPolarHBondContact CA-OD2 3.03Å; D123-H279 IonicContact OD2-CE1 3.69Å; D123-H279 PolarHBondContact OD2-CE1 2.65Å; D123-H279 IonicContact OD2-ND1 3.73Å
124F98.6Very high95.8Very high0 Ų031.3 Ų31.30%017%0.17CC..  trans-146.3149.8-169.591.6-58.9000112.7A100 M108 T121 M130 L147 D148 H279 S280 L285 F288A100-F124 HydrophobicContact CB-CB 3.83Å; A100-F124 CarbonylContact O-C 3.56Å; A100-F124 VanDerWaalsContact O-CA 3.24Å; A100-F124 WeakPolarHBondContact O-CA 3.45Å; A100-F124 WeakPolarHBondContact O-CB 3.3Å; M108-F124 HydrophobicContact SD-CB 4.47Å; M108-F124 HydrophobicContact SD-CD2 3.84Å; M108-F124 HydrophobicContact SD-CE2 4.47Å; M108-F124 HydrophobicContact SD-CG 4.34Å; T121-F124 HydrophobicContact CG2-CD1 3.97Å; T121-F124 HydrophobicContact CG2-CD2 4.38Å; T121-F124 HydrophobicContact CG2-CE1 3.94Å; T121-F124 HydrophobicContact CG2-CE2 4.32Å; T121-F124 HydrophobicContact CG2-CG 4.23Å; T121-F124 HydrophobicContact CG2-CZ 4.13Å; F124-M130 HydrophobicContact CD2-CE 4.22Å; F124-M130 HydrophobicContact CD2-SD 4.02Å; F124-M130 HydrophobicContact CE2-SD 4.34Å; F124-L147 HydrophobicContact CE1-CD1 3.94Å; F124-L147 HydrophobicContact CZ-CD1 4.04Å; F124-D148 HydrophobicContact CD1-CB 3.58Å; F124-D148 HydrophobicContact CE1-CB 3.92Å; F124-D148 PolarHBondContact N-OD2 3.2Å; F124-D148 VanDerWaalsContact N-OD2 3.16Å; F124-H279 CarbonylContact O-C 3.55Å; F124-H279 WeakPolarHBondContact O-CA 3.03Å; F124-S280 WeakPolarHBondContact CE1-OG 3.12Å; F124-S280 WeakPolarHBondContact CZ-OG 3.38Å; F124-S280 PolarHBondContact O-N 3.28Å; F124-S280 PolarHBondContact O-OG 2.79Å; F124-L285 HydrophobicContact CE1-CD2 3.68Å; F124-L285 HydrophobicContact CZ-CD2 3.88Å; F124-F288 AromaticContact CE2-CD1 3.69Å; F124-F288 HydrophobicContact CE2-CD1 3.69Å; F124-F288 HydrophobicContact CE2-CD2 4.45Å; F124-F288 AromaticContact CE2-CE1 3.54Å; F124-F288 HydrophobicContact CE2-CE1 3.54Å; F124-F288 HydrophobicContact CE2-CE2 4.32Å; F124-F288 HydrophobicContact CE2-CG 4.13Å; F124-F288 AromaticContact CE2-CZ 3.86Å; F124-F288 HydrophobicContact CE2-CZ 3.86Å; F124-F288 AromaticContact CZ-CD1 3.49Å; F124-F288 HydrophobicContact CZ-CD1 3.49Å; F124-F288 VanDerWaalsContact CZ-CD1 3.49Å; F124-F288 AromaticContact CZ-CE1 3.6Å; F124-F288 HydrophobicContact CZ-CE1 3.6Å; F124-F288 HydrophobicContact CZ-CG 4.2Å; F124-F288 HydrophobicContact CZ-CZ 4.38Å
125R98.4Very high95.4Very high7 Ų729.9 Ų29.93%0.02617%0.167CC..  trans-114.7105.1164.8-174155.9-168.8179.6-0.6111.1A100 N101 M130 P159 S277 D278 H279 S280 E284A100-R125 PolarHBondContact O-N 3.43Å; N101-R125 PolarHBondContact ND2-O 3.19Å; R125-M130 VanDerWaalsContact O-CE 3.26Å; R125-M130 WeakPolarHBondContact O-CE 3.36Å; R125-P159 PolarHBondContact NH1-O 3.2Å; R125-P159 PolarHBondContact NH2-O 3.35Å; R125-S277 WeakPolarHBondContact CD-O 3.44Å; R125-S277 PolarHBondContact NH1-O 3.41Å; R125-D278 WeakPolarHBondContact CB-O 3.35Å; R125-H279 WeakPolarHBondContact CD-O 3.33Å; R125-S280 WeakPolarHBondContact CA-OG 3.4Å; R125-E284 IonicContact CZ-OE1 3.56Å; R125-E284 IonicContact CZ-OE2 2.64Å; R125-E284 IonicContact NE-OE1 3.74Å; R125-E284 PolarHBondContact NE-OE1 3.43Å; R125-E284 IonicContact NE-OE2 2.69Å; R125-E284 PolarHBondContact NE-OE2 3.16Å; R125-E284 IonicContact NH2-OE1 2.94Å; R125-E284 PolarHBondContact NH2-OE1 2.78Å; R125-E284 IonicContact NH2-OE2 2.75Å; R125-E284 PolarHBondContact NH2-OE2 3.16Å
126Y98.2Very high95.1Very high15 Ų1530.4 Ų30.46%0.05917%0.171CC..  trans-51.8138.4178.9169.5-113.2000112.6P128 M130 L131 S280 E284 D287 F288Y126-P128 HydrophobicContact CE1-CG 4.34Å; Y126-M130 HydrophobicContact CD2-SD 4.09Å; Y126-L131 HydrophobicContact CE2-CD1 4.02Å; Y126-L131 HydrophobicContact CE2-CG 4.08Å; Y126-L131 VanDerWaalsContact OH-CD1 3.28Å; Y126-L131 WeakPolarHBondContact OH-CD1 3.36Å; Y126-S280 PolarHBondContact N-OG 3.11Å; Y126-E284 HydrophobicContact CD1-CB 3.98Å; Y126-E284 HydrophobicContact CD1-CG 4.39Å; Y126-E284 WeakPolarHBondContact CD1-O 3.41Å; Y126-D287 HydrophobicContact CE1-CB 3.82Å; Y126-F288 HydrophobicContact CD1-CB 4.31Å; Y126-F288 HydrophobicContact CD2-CB 3.82Å; Y126-F288 AromaticContact CD2-CD2 3.37Å; Y126-F288 HydrophobicContact CD2-CD2 3.37Å; Y126-F288 HydrophobicContact CD2-CE2 4.13Å; Y126-F288 AromaticContact CD2-CG 3.86Å; Y126-F288 HydrophobicContact CD2-CG 3.86Å; Y126-F288 HydrophobicContact CE2-CB 4.13Å; Y126-F288 AromaticContact CE2-CD2 3.62Å; Y126-F288 HydrophobicContact CE2-CD2 3.62Å; Y126-F288 HydrophobicContact CE2-CE2 4.48Å; Y126-F288 HydrophobicContact CE2-CG 4.31Å; Y126-F288 HydrophobicContact CG-CB 3.91Å; Y126-F288 HydrophobicContact CG-CD2 4.26Å; Y126-F288 HydrophobicContact CG-CG 4.32Å
127T96.8Very high94.4Very high45 Ų4537.8 Ų37.828%0.27619%0.19SC..  trans-139.2149.616254.50000109.4S129 M130T127-S129 PolarHBondContact O-N 3.49Å; T127-S129 PolarHBondContact OG1-OG 3.37Å; T127-M130 WeakPolarHBondContact O-CB 3.44Å; T127-M130 PolarHBondContact O-N 2.97Å
128P95.4Very high93Very high80 Ų8041 Ų4152%0.51921%0.21SC..THydrogen-bonded Turntrans-61.9-2.4179-2635.3000116.3Y126 R132Y126-P128 HydrophobicContact CE1-CG 4.34Å; P128-R132 PolarHBondContact O-NH1 3.13Å
129S94.4Very high91.4Very high49 Ų4949 Ų4934%0.34325%0.252SS..THydrogen-bonded Turntrans-74.4-31.2167.434.40000113.2T127 L131 R132T127-S129 PolarHBondContact O-N 3.49Å; T127-S129 PolarHBondContact OG1-OG 3.37Å; S129-L131 PolarHBondContact O-N 2.64Å; S129-R132 WeakPolarHBondContact O-CA 3.46Å; S129-R132 WeakPolarHBondContact O-CB 3.46Å; S129-R132 PolarHBondContact O-N 3.38Å
130M95.2Very high90.2Very high8 Ų851.1 Ų51.14%0.03927%0.265CS..G310 helixtrans-58.9-37.7-179.9-65.8172171.700112N101 M108 F124 R125 Y126 T127 R132 E133N101-M130 HydrophobicContact CB-CE 3.58Å; M108-M130 HydrophobicContact CE-CB 4.41Å; M108-M130 HydrophobicContact CE-CG 4.22Å; M108-M130 HydrophobicContact CE-SD 3.95Å; F124-M130 HydrophobicContact CD2-CE 4.22Å; F124-M130 HydrophobicContact CD2-SD 4.02Å; F124-M130 HydrophobicContact CE2-SD 4.34Å; R125-M130 VanDerWaalsContact O-CE 3.26Å; R125-M130 WeakPolarHBondContact O-CE 3.36Å; Y126-M130 HydrophobicContact CD2-SD 4.09Å; T127-M130 WeakPolarHBondContact O-CB 3.44Å; T127-M130 PolarHBondContact O-N 2.97Å; M130-R132 PolarHBondContact O-N 3.31Å; M130-E133 WeakPolarHBondContact O-CB 3.31Å; M130-E133 WeakPolarHBondContact O-CG 3.36Å; M130-E133 PolarHBondContact O-N 2.83Å
131L92.4Very high89.7Confident44 Ų4454.6 Ų54.623%0.2329%0.287CS..G310 helixtrans-72.2-3.6175.7-59.8172.2000113.6Y126 S129 R137 F288 A291 L292Y126-L131 HydrophobicContact CE2-CD1 4.02Å; Y126-L131 HydrophobicContact CE2-CG 4.08Å; Y126-L131 VanDerWaalsContact OH-CD1 3.28Å; Y126-L131 WeakPolarHBondContact OH-CD1 3.36Å; S129-L131 PolarHBondContact O-N 2.64Å; L131-R137 WeakPolarHBondContact O-CG 3.44Å; L131-F288 HydrophobicContact CD2-CD2 4.13Å; L131-F288 HydrophobicContact CD2-CE2 4.24Å; L131-A291 HydrophobicContact CD1-CB 3.41Å; L131-A291 VanDerWaalsContact CD1-CB 3.41Å; L131-A291 HydrophobicContact CD2-CB 3.96Å; L131-A291 HydrophobicContact CG-CB 4.34Å; L131-L292 HydrophobicContact CD2-CD2 3.8Å; L131-L292 HydrophobicContact CD2-CG 4.05Å
132R91.3Very high89.5Confident156 Ų15654.8 Ų54.859%0.58929%0.288SS*.G310 helixtrans-99.8-4.3174.3-56.2-166.2-62.7-94.712112.9P128 S129 M130 R137P128-R132 PolarHBondContact O-NH1 3.13Å; S129-R132 WeakPolarHBondContact O-CA 3.46Å; S129-R132 WeakPolarHBondContact O-CB 3.46Å; S129-R132 PolarHBondContact O-N 3.38Å; M130-R132 PolarHBondContact O-N 3.31Å; R132-R137 WeakPolarHBondContact O-CD 3.46Å
133E91.3Very high89.2Confident57 Ų5757.4 Ų57.427%0.26630%0.302SS..SBendtrans-64.7136.8176-66.9-55.8141.100111.1C78 I98 M130 C135 L136 R137C78-E133 PolarHBondContact SG-OE2 3.32Å; I98-E133 HydrophobicContact CG2-CG 3.99Å; M130-E133 WeakPolarHBondContact O-CB 3.31Å; M130-E133 WeakPolarHBondContact O-CG 3.36Å; M130-E133 PolarHBondContact O-N 2.83Å; E133-C135 PolarHBondContact O-N 2.96Å; E133-C135 VanDerWaalsContact O-N 3.13Å; E133-L136 PolarHBondContact O-N 3.36Å; E133-R137 WeakPolarHBondContact O-CG 3.48Å; E133-R137 PolarHBondContact O-N 3.31Å
134P89.3Confident89.1Confident93 Ų9357.8 Ų57.860%0.60430%0.303SS*.Hα-helixtrans-54.8-37.2-172.7-28.235.6000114.2L136 R137P134-L136 VanDerWaalsContact C-N 3.32Å; P134-L136 PolarHBondContact O-N 3.05Å; P134-R137 PolarHBondContact O-N 3.5Å
135C87.5Confident89Confident21 Ų2157.8 Ų57.814%0.14230%0.303CS..Hα-helixtrans-73.5-14.8179.655.40000114.9T96 L110 E133T96-C135 HydrophobicContact CG2-CB 4.11Å; L110-C135 HydrophobicContact CD2-CB 3.95Å; L110-C135 WeakPolarHBondContact CD2-O 3.44Å; E133-C135 PolarHBondContact O-N 2.96Å; E133-C135 VanDerWaalsContact O-N 3.13Å
136L87.9Confident89Confident23 Ų2357.9 Ų57.912%0.1230%0.304CS..Hα-helixtrans-108-7.1172.5-62.2-177.9000112.9I98 L110 L119 E133 P134 I142I98-L136 HydrophobicContact CD1-CD1 3.76Å; I98-L136 HydrophobicContact CD1-CD2 4.16Å; I98-L136 HydrophobicContact CD1-CG 3.81Å; L110-L136 HydrophobicContact CD2-CD2 4.49Å; L119-L136 HydrophobicContact CD2-CD1 4.48Å; L119-L136 HydrophobicContact CD2-CD2 4.12Å; E133-L136 PolarHBondContact O-N 3.36Å; P134-L136 VanDerWaalsContact C-N 3.32Å; P134-L136 PolarHBondContact O-N 3.05Å; L136-I142 HydrophobicContact CD2-CD1 4.48Å
137R80.7Confident89Confident181 Ų18157.1 Ų57.168%0.68330%0.301SS*.Hα-helixtrans-89.3-13.4175.8-78.5-174.566.5-175.51.6114.5L131 R132 E133 P134L131-R137 WeakPolarHBondContact O-CG 3.44Å; R132-R137 WeakPolarHBondContact O-CD 3.46Å; E133-R137 WeakPolarHBondContact O-CG 3.48Å; E133-R137 PolarHBondContact O-N 3.31Å; P134-R137 PolarHBondContact O-N 3.5Å
138T65.1Low89Confident75 Ų7555 Ų5546%0.4629%0.288SS..SBendtrans-65.8159.7170.245.70000110.4T140T138-T140 PolarHBondContact O-N 3.1Å; T138-T140 PolarHBondContact OG1-OG1 3.28Å
139N64.4Low89Confident169 Ų16952.2 Ų52.290%0.90427%0.268SS*.SBendtrans-7124.8170.4-73.5-13.4000113T141N139-T141 PolarHBondContact O-N 3.13Å; N139-T141 VanDerWaalsContact O-N 3.11Å
140T73.5Confident89Confident46 Ų4652.1 Ų52.128%0.28227%0.266SS..  trans-66.3106.2174.4-57.70000108.1A117 T138 I142A117-T140 HydrophobicContact CB-CG2 3.7Å; T138-T140 PolarHBondContact O-N 3.1Å; T138-T140 PolarHBondContact OG1-OG1 3.28Å; T140-I142 PolarHBondContact O-N 2.79Å
141T87.4Confident88.9Confident73 Ų7352 Ų5245%0.44827%0.265SS..  trans-72.8122172.7-59.40000108.3N139 D143N139-T141 PolarHBondContact O-N 3.13Å; N139-T141 VanDerWaalsContact O-N 3.11Å; T141-D143 PolarHBondContact O-N 3.19Å
142I93.9Very high88.9Confident4 Ų450.7 Ų50.72%0.02126%0.26CS..  trans-71.6120.2174.3-56.6-55.2000108.8L110 A117 L119 L136 T140 I144 L145 P294 S295L110-I142 HydrophobicContact CD1-CD1 3.75Å; A117-I142 HydrophobicContact CB-CD1 4.38Å; L119-I142 HydrophobicContact CB-CD1 4.26Å; L119-I142 HydrophobicContact CB-CG2 3.97Å; L136-I142 HydrophobicContact CD2-CD1 4.48Å; T140-I142 PolarHBondContact O-N 2.79Å; I142-I144 WeakPolarHBondContact CG2-O 3.47Å; I142-L145 HydrophobicContact CG2-CB 4.34Å; I142-P294 HydrophobicContact CB-CB 4.11Å; I142-P294 HydrophobicContact CG2-CB 3.99Å; I142-P294 CarbonylContact O-C 3.5Å; I142-P294 WeakPolarHBondContact O-CA 3.42Å; I142-S295 PolarHBondContact O-N 3.36Å
143D94Very high88.8Confident55 Ų5546 Ų4629%0.29425%0.246SC..SBendtrans-82.1-37.1-179.9-68.7-61000112G116 A117 T141 S295 S296G116-D143 VanDerWaalsContact CA-OD2 3.3Å; G116-D143 WeakPolarHBondContact CA-OD2 3.35Å; A117-D143 PolarHBondContact N-OD2 3.44Å; A117-D143 WeakPolarHBondContact O-CB 3.18Å; A117-D143 PolarHBondContact O-N 3.11Å; T141-D143 PolarHBondContact O-N 3.19Å; D143-S295 CarbonylContact O-C 3.49Å; D143-S295 WeakPolarHBondContact O-CB 3.3Å; D143-S296 WeakPolarHBondContact O-CB 3.39Å; D143-S296 PolarHBondContact O-N 3.1Å
144I95.5Very high88.8Confident12 Ų1246.8 Ų46.86%0.06226%0.256CS..EExtended strand (participates in β ladder)trans-137.7123.1176.8-49.3177.5000109.6A117 I118 L119 I142 Y146 V298A117-I144 PolarHBondContact O-N 3.48Å; I118-I144 WeakPolarHBondContact CA-O 3.49Å; I118-I144 HydrophobicContact CD1-CD1 4.2Å; I118-I144 HydrophobicContact CG1-CB 4.19Å; I118-I144 HydrophobicContact CG1-CD1 4.36Å; I118-I144 HydrophobicContact CG1-CG1 4.44Å; I118-I144 HydrophobicContact CG2-CB 4.31Å; L119-I144 PolarHBondContact N-O 3.04Å; I142-I144 WeakPolarHBondContact CG2-O 3.47Å; I144-Y146 HydrophobicContact CG2-CD2 3.89Å; I144-Y146 HydrophobicContact CG2-CE2 3.65Å; I144-V298 HydrophobicContact CG2-CG2 3.8Å
145L96.8Very high88.8Confident0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans-103.3115.1168.617855.9000109.4L119 T121 I142 L147 F288 V289 L292 P294 S296 L297 V298L119-L145 HydrophobicContact CB-CD1 3.96Å; L119-L145 HydrophobicContact CD2-CD1 3.95Å; L119-L145 HydrophobicContact CG-CD1 3.91Å; L119-L145 WeakPolarHBondContact O-CA 3.48Å; T121-L145 HydrophobicContact CG2-CD1 3.91Å; I142-L145 HydrophobicContact CG2-CB 4.34Å; L145-L147 HydrophobicContact CD2-CD1 4.09Å; L145-L147 HydrophobicContact CG-CB 4.45Å; L145-L147 HydrophobicContact CG-CD1 4.32Å; L145-F288 HydrophobicContact CD1-CE1 4.32Å; L145-F288 HydrophobicContact CD2-CD1 4.44Å; L145-F288 HydrophobicContact CD2-CE1 4.27Å; L145-V289 HydrophobicContact CD2-CG2 4.13Å; L145-L292 HydrophobicContact CD2-CD1 4.19Å; L145-P294 HydrophobicContact CB-CB 3.81Å; L145-P294 HydrophobicContact CB-CG 3.78Å; L145-P294 HydrophobicContact CD2-CG 3.96Å; L145-S296 PolarHBondContact N-O 2.98Å; L145-L297 HydrophobicContact CB-CD1 3.73Å; L145-L297 HydrophobicContact CD2-CD1 3.72Å; L145-L297 HydrophobicContact CG-CD1 3.7Å; L145-L297 WeakPolarHBondContact O-CA 3.49Å; L145-V298 PolarHBondContact O-N 2.78Å
146Y97.9Very high88.9Confident9 Ų951.6 Ų51.64%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-87.3117.5164.4-71.7-102.4000108K6 I8 P9 I118 L119 Y120 T121 I144 V298K6-Y146 HydrophobicContact CB-CE1 4.15Å; K6-Y146 HydrophobicContact CG-CD1 4.05Å; K6-Y146 HydrophobicContact CG-CE1 4.07Å; I8-Y146 HydrophobicContact CG1-CE2 4.43Å; P9-Y146 WeakPolarHBondContact CD-OH 3.12Å; I118-Y146 HydrophobicContact CG2-CD2 3.72Å; I118-Y146 HydrophobicContact CG2-CE2 3.72Å; L119-Y146 PolarHBondContact O-N 3.41Å; Y120-Y146 AromaticContact CD2-CD1 3.91Å; Y120-Y146 HydrophobicContact CD2-CD1 3.91Å; Y120-Y146 AromaticContact CD2-CD2 3.86Å; Y120-Y146 HydrophobicContact CD2-CD2 3.86Å; Y120-Y146 AromaticContact CD2-CG 3.45Å; Y120-Y146 HydrophobicContact CD2-CG 3.45Å; Y120-Y146 VanDerWaalsContact CD2-CG 3.45Å; Y120-Y146 AromaticContact CE2-CD1 3.75Å; Y120-Y146 HydrophobicContact CE2-CD1 3.75Å; Y120-Y146 HydrophobicContact CE2-CE1 4.45Å; Y120-Y146 AromaticContact CE2-CG 3.78Å; Y120-Y146 HydrophobicContact CE2-CG 3.78Å; Y120-Y146 HydrophobicContact CG-CG 4.44Å; T121-Y146 PolarHBondContact N-O 2.95Å; T121-Y146 PolarHBondContact OG1-O 3.14Å; T121-Y146 VanDerWaalsContact OG1-O 3.1Å; I144-Y146 HydrophobicContact CG2-CD2 3.89Å; I144-Y146 HydrophobicContact CG2-CE2 3.65Å; Y146-V298 WeakPolarHBondContact CA-O 3.39Å; Y146-V298 HydrophobicContact CD1-CB 3.8Å; Y146-V298 HydrophobicContact CD1-CG1 3.66Å; Y146-V298 HydrophobicContact CE1-CB 4.01Å; Y146-V298 HydrophobicContact CE1-CG1 3.61Å; Y146-V298 HydrophobicContact CE1-CG2 4.43Å; Y146-V298 HydrophobicContact CG-CB 4.19Å
147L97.8Very high89.1Confident0 Ų057 Ų570%030%0.304CS..EExtended strand (participates in β ladder)trans-115.3132.9-165.6-170.674.3000112.4T121 F124 L145 N149 L285 F288 V289 L297 V298 I300 L309T121-L147 HydrophobicContact CG2-CD1 4.33Å; F124-L147 HydrophobicContact CE1-CD1 3.94Å; F124-L147 HydrophobicContact CZ-CD1 4.04Å; L145-L147 HydrophobicContact CD2-CD1 4.09Å; L145-L147 HydrophobicContact CG-CB 4.45Å; L145-L147 HydrophobicContact CG-CD1 4.32Å; L147-N149 PolarHBondContact O-N 3.37Å; L147-N149 PolarHBondContact O-OD1 3.23Å; L147-L285 HydrophobicContact CD1-CD2 3.95Å; L147-L285 HydrophobicContact CD2-CD2 4.17Å; L147-L285 HydrophobicContact CG-CD2 4.1Å; L147-F288 HydrophobicContact CD1-CD1 4.14Å; L147-F288 HydrophobicContact CD1-CE1 4.36Å; L147-V289 HydrophobicContact CD1-CG2 4.33Å; L147-V289 HydrophobicContact CD2-CG2 4.04Å; L147-L297 HydrophobicContact CB-CD1 4.02Å; L147-L297 HydrophobicContact CD2-CD1 4.15Å; L147-L297 HydrophobicContact CD2-CD2 4.35Å; L147-V298 PolarHBondContact N-O 2.99Å; L147-I300 WeakPolarHBondContact O-CB 3.34Å; L147-I300 PolarHBondContact O-N 3.48Å; L147-L309 HydrophobicContact CD2-CD1 3.86Å
148D97.5Very high89.8Confident1 Ų149.6 Ų49.61%0.00528%0.278CS..  trans-61.3114.1160.6-175.7-9000109.2T121 G122 D123 F124 T150 H279 L285T121-D148 PolarHBondContact OG1-N 2.92Å; G122-D148 WeakPolarHBondContact O-CB 3.17Å; D123-D148 WeakPolarHBondContact CA-OD2 3.03Å; F124-D148 HydrophobicContact CD1-CB 3.58Å; F124-D148 HydrophobicContact CE1-CB 3.92Å; F124-D148 PolarHBondContact N-OD2 3.2Å; F124-D148 VanDerWaalsContact N-OD2 3.16Å; D148-T150 WeakPolarHBondContact OD1-CB 3.38Å; D148-T150 PolarHBondContact OD1-N 3.31Å; D148-T150 PolarHBondContact OD1-OG1 3.15Å; D148-H279 IonicContact OD1-ND1 3.63Å; D148-H279 IonicContact OD2-CG 3.6Å; D148-H279 IonicContact OD2-ND1 2.76Å; D148-H279 PolarHBondContact OD2-ND1 3.12Å; D148-L285 VanDerWaalsContact O-CD2 3.3Å; D148-L285 WeakPolarHBondContact O-CD2 3.15Å
149N94.9Very high91.3Very high20 Ų2047 Ų4711%0.10726%0.263CS..  trans-11424.3179.464.6-86000112.5L147 N151 C152 P299 I300 V301 L305L147-N149 PolarHBondContact O-N 3.37Å; L147-N149 PolarHBondContact O-OD1 3.23Å; N149-N151 PolarHBondContact O-N 2.78Å; N149-C152 HydrophobicContact CB-CB 3.7Å; N149-C152 WeakPolarHBondContact O-CB 3.32Å; N149-C152 PolarHBondContact O-N 3.35Å; N149-C152 VanDerWaalsContact O-N 3.1Å; N149-P299 VanDerWaalsContact OD1-CA 3.32Å; N149-P299 WeakPolarHBondContact OD1-CA 3.41Å; N149-P299 WeakPolarHBondContact OD1-CB 3.26Å; N149-I300 PolarHBondContact OD1-N 2.89Å; N149-V301 PolarHBondContact ND2-O 2.73Å; N149-V301 PolarHBondContact OD1-N 3.33Å; N149-V301 PolarHBondContact OD1-O 3.38Å; N149-L305 HydrophobicContact CB-CD2 3.53Å
150T94.1Very high92.9Very high47 Ų4741.8 Ų41.829%0.28824%0.239SC..THydrogen-bonded Turntrans-56.9-44.1-176.4-65.70000113.9D148 H279D148-T150 WeakPolarHBondContact OD1-CB 3.38Å; D148-T150 PolarHBondContact OD1-N 3.31Å; D148-T150 PolarHBondContact OD1-OG1 3.15Å; T150-H279 HydrophobicContact CG2-CB 4.4Å
151N94.1Very high94Very high5 Ų542.7 Ų42.73%0.02724%0.238CC..THydrogen-bonded Turntrans-106.630.3173.8-47.6-63.5000112.2N149 D153 L158 S261 S277 H279 S280N149-N151 PolarHBondContact O-N 2.78Å; N151-D153 PolarHBondContact O-N 2.91Å; N151-L158 HydrophobicContact CB-CD1 3.92Å; N151-L158 WeakPolarHBondContact ND2-CD1 3.5Å; N151-S261 VanDerWaalsContact OD1-CB 3.26Å; N151-S261 WeakPolarHBondContact OD1-CB 3.28Å; N151-S261 PolarHBondContact OD1-OG 2.96Å; N151-S277 PolarHBondContact ND2-OG 2.74Å; N151-H279 WeakPolarHBondContact ND2-CB 3.39Å; N151-H279 PolarHBondContact ND2-O 3.39Å; N151-S280 WeakPolarHBondContact CB-O 3.32Å; N151-S280 PolarHBondContact ND2-O 2.85Å
152C92.1Very high94.5Very high17 Ų1745.9 Ų45.912%0.11525%0.248CC..  trans-78.161.1-175.3-168.20000112.8N149 L285 P306 L309N149-C152 HydrophobicContact CB-CB 3.7Å; N149-C152 WeakPolarHBondContact O-CB 3.32Å; N149-C152 PolarHBondContact O-N 3.35Å; N149-C152 VanDerWaalsContact O-N 3.1Å; C152-L285 HydrophobicContact CB-CD1 3.94Å; C152-P306 WeakPolarHBondContact O-CG 3.4Å; C152-P306 WeakPolarHBondContact SG-CD 3.33Å; C152-L309 WeakPolarHBondContact SG-CD1 3.45Å
153D90.1Very high94.7Very high57 Ų5752 Ų5231%0.30527%0.274SS..  trans-130.2113.8177.4179.6-5.1000109.6N151 N155 R156N151-D153 PolarHBondContact O-N 2.91Å; D153-N155 PolarHBondContact O-N 2.81Å; D153-N155 VanDerWaalsContact O-N 3.1Å; D153-N155 WeakPolarHBondContact OD1-CB 3.31Å; D153-N155 PolarHBondContact OD1-N 2.9Å; D153-N155 PolarHBondContact OD1-ND2 2.8Å; D153-R156 HydrophobicContact CB-CB 4.28Å; D153-R156 HydrophobicContact CB-CG 4.04Å; D153-R156 PolarHBondContact O-N 3.2Å; D153-R156 VanDerWaalsContact O-N 3.08Å; D153-R156 WeakPolarHBondContact OD2-CD 3.5Å; D153-R156 VanDerWaalsContact OD2-CG 3.25Å; D153-R156 WeakPolarHBondContact OD2-CG 3.48Å
154P90.2Very high94.9Very high74 Ų7449.4 Ų49.448%0.48126%0.26SS..THydrogen-bonded Turntrans-63.2-17.6-177.725.9-34.8000113.8R156 Y282P154-R156 VanDerWaalsContact C-N 3.26Å; P154-R156 PolarHBondContact O-N 2.86Å; P154-Y282 HydrophobicContact CB-CD1 3.85Å; P154-Y282 HydrophobicContact CB-CD2 4.35Å; P154-Y282 HydrophobicContact CB-CE1 3.65Å; P154-Y282 HydrophobicContact CB-CE2 4.19Å; P154-Y282 HydrophobicContact CB-CG 4.21Å; P154-Y282 HydrophobicContact CG-CE2 4.49Å
155N90.4Very high95.1Very high143 Ų14348.8 Ų48.877%0.76526%0.257SS*.THydrogen-bonded Turntrans-82.3-4.6179.1-51.2-83.9000112.6D153D153-N155 PolarHBondContact O-N 2.81Å; D153-N155 VanDerWaalsContact O-N 3.1Å; D153-N155 WeakPolarHBondContact OD1-CB 3.31Å; D153-N155 PolarHBondContact OD1-N 2.9Å; D153-N155 PolarHBondContact OD1-ND2 2.8Å
156R88.5Confident95.2Very high72 Ų7252.7 Ų52.727%0.27228%0.275SS..  trans-120.290.8-169.8-61.3-173.375-125.2-7.1111.9D153 P154 S261D153-R156 HydrophobicContact CB-CB 4.28Å; D153-R156 HydrophobicContact CB-CG 4.04Å; D153-R156 PolarHBondContact O-N 3.2Å; D153-R156 VanDerWaalsContact O-N 3.08Å; D153-R156 WeakPolarHBondContact OD2-CD 3.5Å; D153-R156 VanDerWaalsContact OD2-CG 3.25Å; D153-R156 WeakPolarHBondContact OD2-CG 3.48Å; P154-R156 VanDerWaalsContact C-N 3.26Å; P154-R156 PolarHBondContact O-N 2.86Å; R156-S261 PolarHBondContact NH1-O 3.14Å; R156-S261 PolarHBondContact NH2-O 2.95Å
157T91.4Very high95.2Very high137 Ų13756.2 Ų56.284%0.8429%0.292SS*.  trans-70143.3168.9550000111
158L95.7Very high95.2Very high25 Ų2556.3 Ų56.313%0.13129%0.292CS..  trans-126.9142.8173.4-63.9175000109.8N151 P275N151-L158 HydrophobicContact CB-CD1 3.92Å; N151-L158 WeakPolarHBondContact ND2-CD1 3.5Å; L158-P275 HydrophobicContact CD2-CB 3.97Å
159P96.9Very high95.3Very high22 Ų2256.9 Ų56.914%0.14330%0.295CS..  trans-69.7163171.432-37.3000111.9R125 K163 A164 P275R125-P159 PolarHBondContact NH1-O 3.2Å; R125-P159 PolarHBondContact NH2-O 3.35Å; P159-K163 HydrophobicContact CB-CB 4.03Å; P159-K163 HydrophobicContact CB-CD 4.14Å; P159-K163 HydrophobicContact CB-CG 4.06Å; P159-A164 HydrophobicContact CG-CB 3.98Å; P159-P275 WeakPolarHBondContact CD-O 3.38Å; P159-P275 HydrophobicContact CG-CB 4.4Å; P159-P275 HydrophobicContact CG-CG 3.99Å; P159-P275 WeakPolarHBondContact CG-O 3.45Å
160S97.4Very high95.5Very high58 Ų5859.1 Ų59.141%0.40631%0.305SS..  trans-60.6152.6160.565.20000110.3Q162 K163 A164S160-Q162 VanDerWaalsContact C-N 3.27Å; S160-Q162 PolarHBondContact O-N 2.88Å; S160-K163 PolarHBondContact O-N 2.77Å; S160-K163 WeakPolarHBondContact OG-CB 3.32Å; S160-K163 PolarHBondContact OG-N 2.76Å; S160-A164 PolarHBondContact O-N 3.36Å
161R97.9Very high95.7Very high66 Ų6658.2 Ų58.225%0.24930%0.298CS..Hα-helixtrans-52.9-45.6177.4-67.2-172.3-59.4-151.2-3.8111.6N101 K163 A164 T165 Y276 S277 D278N101-R161 PolarHBondContact ND2-NH2 3.2Å; N101-R161 PolarHBondContact O-NH1 2.85Å; N101-R161 PolarHBondContact OD1-NH2 3.23Å; R161-K163 PolarHBondContact O-N 3.09Å; R161-A164 CarbonylContact O-C 3.57Å; R161-A164 WeakPolarHBondContact O-CB 3.36Å; R161-A164 PolarHBondContact O-N 2.98Å; R161-A164 VanDerWaalsContact O-N 3.13Å; R161-T165 PolarHBondContact O-N 3.49Å; R161-T165 PolarHBondContact O-OG1 3.39Å; R161-T165 VanDerWaalsContact O-OG1 3.1Å; R161-Y276 HydrophobicContact CB-CD2 4.4Å; R161-Y276 HydrophobicContact CB-CE2 3.78Å; R161-Y276 WeakPolarHBondContact CD-OH 3.36Å; R161-Y276 HydrophobicContact CG-CE1 4.18Å; R161-Y276 HydrophobicContact CG-CE2 4.13Å; R161-S277 WeakPolarHBondContact CD-O 3.43Å; R161-S277 VanDerWaalsContact CG-O 3.31Å; R161-S277 WeakPolarHBondContact CG-O 3.34Å; R161-D278 WeakPolarHBondContact CD-OD1 3.13Å; R161-D278 IonicContact NH1-OD1 2.73Å
162Q97.8Very high95.9Very high140 Ų14058 Ų5865%0.65430%0.296SS*.Hα-helixtrans-53.6-46.8174.5-170.9-170.527.400113.3S160 A164 T165 Q166S160-Q162 VanDerWaalsContact C-N 3.27Å; S160-Q162 PolarHBondContact O-N 2.88Å; Q162-A164 VanDerWaalsContact C-N 3.35Å; Q162-A164 PolarHBondContact O-N 3.43Å; Q162-T165 PolarHBondContact O-N 3.15Å; Q162-Q166 WeakPolarHBondContact O-CG 3.49Å; Q162-Q166 PolarHBondContact O-N 3.08Å
163K98.3Very high96.2Very high132 Ų13262.1 Ų62.157%0.57431%0.31SS*.Hα-helixtrans-68.4-34.4179.6-179.6173.3-178.6177.30111.8P159 S160 R161 Q167P159-K163 HydrophobicContact CB-CB 4.03Å; P159-K163 HydrophobicContact CB-CD 4.14Å; P159-K163 HydrophobicContact CB-CG 4.06Å; S160-K163 PolarHBondContact O-N 2.77Å; S160-K163 WeakPolarHBondContact OG-CB 3.32Å; S160-K163 PolarHBondContact OG-N 2.76Å; R161-K163 PolarHBondContact O-N 3.09Å; K163-Q167 WeakPolarHBondContact O-CG 3.39Å; K163-Q167 PolarHBondContact O-N 2.8Å
164A98.4Very high96.6Very high0 Ų067.7 Ų67.70%033%0.327CS..Hα-helixtrans-68.9-41.7171.300000112.3P159 S160 R161 Q162 Q166 Q167 I168 V274 Y276P159-A164 HydrophobicContact CG-CB 3.98Å; S160-A164 PolarHBondContact O-N 3.36Å; R161-A164 CarbonylContact O-C 3.57Å; R161-A164 WeakPolarHBondContact O-CB 3.36Å; R161-A164 PolarHBondContact O-N 2.98Å; R161-A164 VanDerWaalsContact O-N 3.13Å; Q162-A164 VanDerWaalsContact C-N 3.35Å; Q162-A164 PolarHBondContact O-N 3.43Å; A164-Q166 VanDerWaalsContact C-N 3.3Å; A164-Q166 PolarHBondContact O-N 3.35Å; A164-Q167 WeakPolarHBondContact O-CB 3.44Å; A164-Q167 PolarHBondContact O-N 3.27Å; A164-Q167 VanDerWaalsContact O-N 3.11Å; A164-I168 WeakPolarHBondContact O-CG1 3.4Å; A164-I168 PolarHBondContact O-N 3.47Å; A164-V274 HydrophobicContact CB-CG1 4.36Å; A164-Y276 HydrophobicContact CB-CD2 3.84Å; A164-Y276 HydrophobicContact CB-CG 4.19Å
165T98.7Very high96.9Very high0 Ų065.7 Ų65.70%031%0.312CS..Hα-helixtrans-57.6-43173.8-55.80000111.2R161 Q162 Q167 I168 K169 L192 E195R161-T165 PolarHBondContact O-N 3.49Å; R161-T165 PolarHBondContact O-OG1 3.39Å; R161-T165 VanDerWaalsContact O-OG1 3.1Å; Q162-T165 PolarHBondContact O-N 3.15Å; T165-Q167 VanDerWaalsContact C-N 3.34Å; T165-Q167 PolarHBondContact O-N 3.16Å; T165-I168 WeakPolarHBondContact O-CB 3.46Å; T165-I168 PolarHBondContact O-N 3.45Å; T165-I168 VanDerWaalsContact O-N 3.16Å; T165-K169 HydrophobicContact CG2-CD 4.11Å; T165-K169 HydrophobicContact CG2-CG 4.38Å; T165-K169 WeakPolarHBondContact O-CG 3.17Å; T165-K169 PolarHBondContact O-N 3.2Å; T165-L192 HydrophobicContact CG2-CD1 3.63Å; T165-E195 HydrophobicContact CG2-CB 4.01Å; T165-E195 HydrophobicContact CG2-CG 4.47Å; T165-E195 WeakPolarHBondContact CG2-OE2 3.45Å; T165-E195 PolarHBondContact OG1-OE1 3.04Å
166Q98.6Very high97.2Very high82 Ų8262.4 Ų62.438%0.38330%0.298SS..Hα-helixtrans-66.1-33.2176.7-68.1-62.6-18.900113.1Q162 A164 E170Q162-Q166 WeakPolarHBondContact O-CG 3.49Å; Q162-Q166 PolarHBondContact O-N 3.08Å; A164-Q166 VanDerWaalsContact C-N 3.3Å; A164-Q166 PolarHBondContact O-N 3.35Å; Q166-E170 VanDerWaalsContact O-CB 3.31Å; Q166-E170 WeakPolarHBondContact O-CB 3.42Å; Q166-E170 PolarHBondContact O-N 2.77Å
167Q98.6Very high97.5Very high83 Ų8365 Ų6539%0.38832%0.317SS..Hα-helixtrans-64.5-41.1170.3-71.3172.3-29.300111.9K163 A164 T165 E170 I171 V274K163-Q167 WeakPolarHBondContact O-CG 3.39Å; K163-Q167 PolarHBondContact O-N 2.8Å; A164-Q167 WeakPolarHBondContact O-CB 3.44Å; A164-Q167 PolarHBondContact O-N 3.27Å; A164-Q167 VanDerWaalsContact O-N 3.11Å; T165-Q167 VanDerWaalsContact C-N 3.34Å; T165-Q167 PolarHBondContact O-N 3.16Å; Q167-E170 PolarHBondContact O-N 3.5Å; Q167-I171 WeakPolarHBondContact O-CD1 3.41Å; Q167-I171 VanDerWaalsContact O-CG1 3.31Å; Q167-I171 WeakPolarHBondContact O-CG1 3.44Å; Q167-I171 PolarHBondContact O-N 3.21Å; Q167-V274 HydrophobicContact CB-CG1 4.02Å
168I98.8Very high97.8Very high2 Ų260.3 Ų60.31%0.0129%0.286CS..Hα-helixtrans-64.6-46.9176.8-65.3168.6000110.8A164 T165 E170 I171 I172 L192 L196 I257 P259 V274A164-I168 WeakPolarHBondContact O-CG1 3.4Å; A164-I168 PolarHBondContact O-N 3.47Å; T165-I168 WeakPolarHBondContact O-CB 3.46Å; T165-I168 PolarHBondContact O-N 3.45Å; T165-I168 VanDerWaalsContact O-N 3.16Å; I168-E170 VanDerWaalsContact C-N 3.31Å; I168-E170 PolarHBondContact O-N 2.95Å; I168-I171 PolarHBondContact O-N 2.67Å; I168-I172 HydrophobicContact CG2-CD1 3.87Å; I168-I172 WeakPolarHBondContact O-CG1 3.21Å; I168-I172 PolarHBondContact O-N 2.83Å; I168-I172 VanDerWaalsContact O-N 3.09Å; I168-L192 HydrophobicContact CD1-CD1 3.87Å; I168-L192 HydrophobicContact CD1-CD2 3.81Å; I168-L192 HydrophobicContact CD1-CG 4.48Å; I168-L196 HydrophobicContact CG2-CD1 3.9Å; I168-L196 HydrophobicContact CG2-CD2 3.91Å; I168-I257 HydrophobicContact CD1-CG2 4.47Å; I168-I257 HydrophobicContact CG1-CG2 4.11Å; I168-I257 HydrophobicContact CG2-CD1 3.84Å; I168-I257 HydrophobicContact CG2-CG2 4.34Å; I168-P259 HydrophobicContact CD1-CB 3.93Å; I168-V274 HydrophobicContact CD1-CB 4.46Å; I168-V274 HydrophobicContact CD1-CG1 4.4Å; I168-V274 HydrophobicContact CG1-CB 4.05Å; I168-V274 HydrophobicContact CG1-CG1 3.93Å; I168-V274 HydrophobicContact CG1-CG2 4.02Å
169K98.7Very high97.8Very high13 Ų1361.4 Ų61.46%0.05729%0.292CS..Hα-helixtrans-56.4-45.4174.8-72.9176.8168.4-161.70111.4T165 I171 I172 R173 E195 L196 E199 F200T165-K169 HydrophobicContact CG2-CD 4.11Å; T165-K169 HydrophobicContact CG2-CG 4.38Å; T165-K169 WeakPolarHBondContact O-CG 3.17Å; T165-K169 PolarHBondContact O-N 3.2Å; K169-I171 PolarHBondContact O-N 2.69Å; K169-I172 PolarHBondContact O-N 3.19Å; K169-R173 WeakPolarHBondContact O-CG 3.28Å; K169-R173 PolarHBondContact O-N 3.33Å; K169-E195 WeakPolarHBondContact CE-O 3.44Å; K169-E195 PolarHBondContact NZ-O 2.82Å; K169-E195 IonicContact NZ-OE2 3.47Å; K169-L196 HydrophobicContact CG-CD2 3.58Å; K169-E199 HydrophobicContact CD-CB 4.33Å; K169-E199 HydrophobicContact CD-CG 3.91Å; K169-E199 VanDerWaalsContact CD-OE2 3.31Å; K169-E199 WeakPolarHBondContact CD-OE2 3.39Å; K169-E199 VanDerWaalsContact CE-OE2 3.3Å; K169-E199 WeakPolarHBondContact CE-OE2 3.43Å; K169-E199 HydrophobicContact CG-CG 4.08Å; K169-E199 IonicContact NZ-OE2 3.39Å; K169-E199 PolarHBondContact NZ-OE2 2.95Å; K169-F200 HydrophobicContact CB-CE2 4.48Å; K169-F200 HydrophobicContact CB-CZ 4.35Å; K169-F200 HydrophobicContact CG-CE2 4.21Å; K169-F200 WeakPolarHBondContact O-CZ 3.34Å
170E98.6Very high97.9Very high66 Ų6660.4 Ų60.431%0.30829%0.285SS..Hα-helixtrans-66.1-36.3179.7-174.559.6-169.200113.4Q166 Q167 I168 R173 R174Q166-E170 VanDerWaalsContact O-CB 3.31Å; Q166-E170 WeakPolarHBondContact O-CB 3.42Å; Q166-E170 PolarHBondContact O-N 2.77Å; Q167-E170 PolarHBondContact O-N 3.5Å; I168-E170 VanDerWaalsContact C-N 3.31Å; I168-E170 PolarHBondContact O-N 2.95Å; E170-R173 IonicContact OE2-NH1 2.7Å; E170-R173 PolarHBondContact OE2-NH1 3.45Å; E170-R173 VanDerWaalsContact OE2-NH1 3.08Å; E170-R174 VanDerWaalsContact O-CG 3.28Å; E170-R174 WeakPolarHBondContact O-CG 3.47Å; E170-R174 PolarHBondContact O-N 3.21Å; E170-R174 IonicContact OE1-CZ 3.88Å; E170-R174 IonicContact OE1-NE 3.74Å; E170-R174 PolarHBondContact OE1-NE 2.92Å; E170-R174 IonicContact OE1-NH2 3.08Å; E170-R174 PolarHBondContact OE1-NH2 2.91Å
171I98.4Very high98Very high28 Ų2857.9 Ų57.914%0.14427%0.267CS..Hα-helixtrans-61.9-43.6172-70.2159.4000110.9Q167 I168 K169 R174 N175 L255 I257 Y272 V274Q167-I171 WeakPolarHBondContact O-CD1 3.41Å; Q167-I171 VanDerWaalsContact O-CG1 3.31Å; Q167-I171 WeakPolarHBondContact O-CG1 3.44Å; Q167-I171 PolarHBondContact O-N 3.21Å; I168-I171 PolarHBondContact O-N 2.67Å; K169-I171 PolarHBondContact O-N 2.69Å; I171-R174 PolarHBondContact O-N 2.84Å; I171-N175 PolarHBondContact O-ND2 3.28Å; I171-L255 HydrophobicContact CG2-CD1 4.4Å; I171-I257 HydrophobicContact CB-CD1 4.44Å; I171-I257 HydrophobicContact CG2-CD1 3.97Å; I171-Y272 HydrophobicContact CD1-CD1 3.89Å; I171-Y272 HydrophobicContact CD1-CG 4.06Å; I171-Y272 HydrophobicContact CG1-CD1 4.1Å; I171-Y272 HydrophobicContact CG1-CE1 4.39Å; I171-Y272 HydrophobicContact CG1-CG 4.46Å; I171-Y272 HydrophobicContact CG2-CD1 4.03Å; I171-Y272 HydrophobicContact CG2-CD2 3.64Å; I171-Y272 HydrophobicContact CG2-CE1 4.14Å; I171-Y272 HydrophobicContact CG2-CE2 3.77Å; I171-Y272 HydrophobicContact CG2-CG 3.78Å; I171-V274 HydrophobicContact CD1-CG2 3.68Å
172I98.5Very high98Very high0 Ų054.8 Ų54.80%026%0.256CS..Hα-helixtrans-70.9-36.8-178.2-64.2163.5000112I168 K169 R174 N175 V180 L196 F200 R231 I257I168-I172 HydrophobicContact CG2-CD1 3.87Å; I168-I172 WeakPolarHBondContact O-CG1 3.21Å; I168-I172 PolarHBondContact O-N 2.83Å; I168-I172 VanDerWaalsContact O-N 3.09Å; K169-I172 PolarHBondContact O-N 3.19Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 3.26Å; I172-N175 PolarHBondContact O-N 3.46Å; I172-V180 HydrophobicContact CB-CG2 4.47Å; I172-V180 HydrophobicContact CD1-CG1 3.89Å; I172-V180 HydrophobicContact CD1-CG2 4.5Å; I172-V180 HydrophobicContact CG1-CG1 3.95Å; I172-V180 HydrophobicContact CG1-CG2 3.97Å; I172-V180 HydrophobicContact CG2-CG2 3.85Å; I172-L196 HydrophobicContact CD1-CD2 3.93Å; I172-F200 HydrophobicContact CB-CE1 4.18Å; I172-F200 HydrophobicContact CB-CE2 3.82Å; I172-F200 HydrophobicContact CB-CZ 3.58Å; I172-F200 HydrophobicContact CD1-CD2 4.45Å; I172-F200 HydrophobicContact CD1-CE2 3.87Å; I172-F200 HydrophobicContact CD1-CZ 4.48Å; I172-F200 HydrophobicContact CG1-CE2 4.47Å; I172-F200 HydrophobicContact CG2-CD1 3.97Å; I172-F200 HydrophobicContact CG2-CD2 3.98Å; I172-F200 HydrophobicContact CG2-CE1 3.62Å; I172-F200 HydrophobicContact CG2-CE2 3.62Å; I172-F200 HydrophobicContact CG2-CG 4.16Å; I172-F200 HydrophobicContact CG2-CZ 3.44Å; I172-F200 VanDerWaalsContact CG2-CZ 3.44Å; I172-R231 PolarHBondContact O-NH2 3.37Å; I172-I257 HydrophobicContact CD1-CD1 4.06Å; I172-I257 HydrophobicContact CG1-CD1 3.8Å
173R98.4Very high98Very high104 Ų10448.2 Ų48.239%0.39223%0.226SC..Hα-helixtrans-63.5-35.9174.8-72.3-175.1-154.6118.5-2.4112.7K169 E170 N175 E199 F200K169-R173 WeakPolarHBondContact O-CG 3.28Å; K169-R173 PolarHBondContact O-N 3.33Å; E170-R173 IonicContact OE2-NH1 2.7Å; E170-R173 PolarHBondContact OE2-NH1 3.45Å; E170-R173 VanDerWaalsContact OE2-NH1 3.08Å; R173-N175 VanDerWaalsContact C-N 3.28Å; R173-N175 PolarHBondContact O-N 3.24Å; R173-E199 IonicContact CZ-OE1 3.85Å; R173-E199 IonicContact NE-OE1 2.86Å; R173-E199 PolarHBondContact NE-OE1 3.45Å; R173-E199 IonicContact NH2-OE1 3.2Å; R173-E199 PolarHBondContact NH2-OE1 3.32Å; R173-E199 IonicContact NH2-OE2 3.69Å; R173-F200 HydrophobicContact CG-CE1 3.77Å; R173-F200 HydrophobicContact CG-CZ 4.01Å
174R98Very high97.9Very high175 Ų17542.1 Ų42.166%0.6620%0.2SC*.THydrogen-bonded Turntrans-75-11.6-178.7-72.3173-171.8-166.53114.9E170 I171 I172 P176E170-R174 VanDerWaalsContact O-CG 3.28Å; E170-R174 WeakPolarHBondContact O-CG 3.47Å; E170-R174 PolarHBondContact O-N 3.21Å; E170-R174 IonicContact OE1-CZ 3.88Å; E170-R174 IonicContact OE1-NE 3.74Å; E170-R174 PolarHBondContact OE1-NE 2.92Å; E170-R174 IonicContact OE1-NH2 3.08Å; E170-R174 PolarHBondContact OE1-NH2 2.91Å; I171-R174 PolarHBondContact O-N 2.84Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 3.26Å; R174-P176 VanDerWaalsContact C-CD 3.47Å
175N97.4Very high97.7Very high31 Ų3144.4 Ų44.417%0.16621%0.209CC..  trans-12958.8-176.3-62.1-88.4000109.8I171 I172 R173 D177 H178 R231 L255I171-N175 PolarHBondContact O-ND2 3.28Å; I172-N175 PolarHBondContact O-N 3.46Å; R173-N175 VanDerWaalsContact C-N 3.28Å; R173-N175 PolarHBondContact O-N 3.24Å; N175-D177 VanDerWaalsContact C-N 3.3Å; N175-D177 PolarHBondContact O-N 3.32Å; N175-H178 HydrophobicContact CB-CB 4.2Å; N175-H178 PolarHBondContact O-N 3.17Å; N175-R231 PolarHBondContact O-NH2 3.45Å; N175-L255 HydrophobicContact CB-CD2 3.45Å; N175-L255 VanDerWaalsContact CB-CD2 3.45Å
176P96.1Very high97.3Very high75 Ų7547.6 Ų47.649%0.48723%0.231SC..THydrogen-bonded Turntrans-58.7-39.9-168.523.4-32.5000112.8R174 H178 R231R174-P176 VanDerWaalsContact C-CD 3.47Å; P176-H178 PolarHBondContact O-N 2.95Å; P176-R231 PolarHBondContact O-NE 2.86Å; P176-R231 VanDerWaalsContact O-NE 3.17Å; P176-R231 PolarHBondContact O-NH2 3.31Å
177D94.9Very high97.2Very high126 Ų12644 Ų4467%0.67421%0.214SC*.THydrogen-bonded Turntrans-78.30.1-175.2-35.2-77.6000113.7N175N175-D177 VanDerWaalsContact C-N 3.3Å; N175-D177 PolarHBondContact O-N 3.32Å
178H97.1Very high97Very high38 Ų3840.1 Ų40.118%0.17620%0.197CC..SBendtrans-99141-180-71.254.3000112.7N175 P176 R231 P253 L255N175-H178 HydrophobicContact CB-CB 4.2Å; N175-H178 PolarHBondContact O-N 3.17Å; P176-H178 PolarHBondContact O-N 2.95Å; H178-R231 PolarHBondContact O-NE 3.07Å; H178-R231 PolarHBondContact O-NH2 2.8Å; H178-R231 VanDerWaalsContact O-NH2 3.15Å; H178-P253 CarbonylContact C-O 3.59Å; H178-P253 WeakPolarHBondContact CA-O 3.02Å; H178-L255 HydrophobicContact CB-CB 4.49Å; H178-L255 HydrophobicContact CB-CD2 4.01Å; H178-L255 HydrophobicContact CB-CG 4.37Å
179N97.1Very high97Very high48 Ų4841 Ų4126%0.25720%0.2SC..EExtended strand (participates in β ladder)trans-70.3148.5161.2-75.2-13.6000110.8Q252 P253 L255N179-Q252 PolarHBondContact ND2-OE1 2.85Å; N179-Q252 PolarHBondContact OD1-NE2 2.86Å; N179-Q252 PolarHBondContact OD1-OE1 3.33Å; N179-P253 PolarHBondContact N-O 3.44Å; N179-L255 PolarHBondContact O-N 3.02Å
180V98.4Very high96.9Very high1 Ų140.6 Ų40.61%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-116.4113.6-172.4179.40000109.9I172 I182 R231 I232 R233 L255 I257I172-V180 HydrophobicContact CB-CG2 4.47Å; I172-V180 HydrophobicContact CD1-CG1 3.89Å; I172-V180 HydrophobicContact CD1-CG2 4.5Å; I172-V180 HydrophobicContact CG1-CG1 3.95Å; I172-V180 HydrophobicContact CG1-CG2 3.97Å; I172-V180 HydrophobicContact CG2-CG2 3.85Å; V180-I182 HydrophobicContact CG1-CG1 4.05Å; V180-R231 PolarHBondContact N-O 2.88Å; V180-I232 HydrophobicContact CB-CG1 4.12Å; V180-I232 HydrophobicContact CG1-CG1 4.44Å; V180-I232 HydrophobicContact CG1-CG2 4.32Å; V180-I232 CarbonylContact O-C 3.58Å; V180-I232 WeakPolarHBondContact O-CA 3.41Å; V180-R233 PolarHBondContact O-N 2.78Å; V180-L255 HydrophobicContact CB-CD1 4.39Å; V180-L255 HydrophobicContact CG1-CD1 4Å; V180-L255 HydrophobicContact CG2-CD1 4.2Å; V180-L255 HydrophobicContact CG2-CD2 4.28Å; V180-L255 HydrophobicContact CG2-CG 4.16Å; V180-I257 HydrophobicContact CG1-CD1 4.33Å
181V98.4Very high96.8Very high5 Ų542.1 Ų42.13%0.0321%0.213CC..EExtended strand (participates in β ladder)trans-102.1120.6173.9179.80000110.6R233 V235 I240 W248 T254 L255 A256 I257V181-R233 CarbonylContact C-O 3.54Å; V181-R233 WeakPolarHBondContact CA-O 3.5Å; V181-V235 HydrophobicContact CG1-CB 4.34Å; V181-V235 HydrophobicContact CG1-CG1 3.96Å; V181-V235 HydrophobicContact CG1-CG2 3.45Å; V181-V235 VanDerWaalsContact CG1-CG2 3.45Å; V181-I240 HydrophobicContact CG1-CD1 3.98Å; V181-I240 HydrophobicContact CG1-CG1 4.43Å; V181-W248 HydrophobicContact CB-CZ3 4.09Å; V181-W248 HydrophobicContact CG1-CH2 3.75Å; V181-W248 HydrophobicContact CG1-CZ3 3.77Å; V181-W248 HydrophobicContact CG2-CD2 4.45Å; V181-W248 HydrophobicContact CG2-CE3 3.98Å; V181-W248 HydrophobicContact CG2-CH2 4.38Å; V181-W248 HydrophobicContact CG2-CZ3 3.96Å; V181-T254 HydrophobicContact CG2-CG2 3.8Å; V181-L255 PolarHBondContact N-O 3.49Å; V181-A256 CarbonylContact O-C 3.59Å; V181-A256 VanDerWaalsContact O-CA 3.26Å; V181-A256 WeakPolarHBondContact O-CA 3.39Å; V181-I257 PolarHBondContact O-N 3.38Å
182I98.6Very high96.7Very high1 Ų140.9 Ų40.91%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-104.5117.3179-52.4-177.1000109.4V180 I184 L193 L196 I232 R233 V234 V235 P259V180-I182 HydrophobicContact CG1-CG1 4.05Å; I182-I184 HydrophobicContact CG2-CG2 4.1Å; I182-L193 HydrophobicContact CD1-CD2 4.06Å; I182-L193 HydrophobicContact CG2-CD2 4.47Å; I182-L196 HydrophobicContact CD1-CD1 3.49Å; I182-L196 VanDerWaalsContact CD1-CD1 3.49Å; I182-I232 HydrophobicContact CD1-CG2 3.47Å; I182-I232 VanDerWaalsContact CD1-CG2 3.47Å; I182-I232 HydrophobicContact CG1-CG2 3.97Å; I182-R233 PolarHBondContact N-O 2.8Å; I182-V234 WeakPolarHBondContact O-CA 3.06Å; I182-V235 PolarHBondContact O-N 3.01Å; I182-P259 HydrophobicContact CG2-CG 4.02Å
183G97.8Very high96.7Very high3 Ų340.9 Ų40.93%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-96.1112.4-179.400000112.3V235 I240 I257G183-V235 WeakPolarHBondContact CA-O 3.42Å; G183-I240 VanDerWaalsContact CA-CD1 3.46Å; G183-I257 PolarHBondContact N-O 2.91Å
184I96.5Very high96.7Very high4 Ų437.4 Ų37.42%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-137.1-177.2-178.555.7176.1000111.7I182 K189 L193 V234 V235 D236 Q237 P259I182-I184 HydrophobicContact CG2-CG2 4.1Å; I184-K189 HydrophobicContact CB-CD 4.2Å; I184-K189 HydrophobicContact CG2-CB 4.46Å; I184-K189 HydrophobicContact CG2-CD 3.48Å; I184-K189 VanDerWaalsContact CG2-CD 3.48Å; I184-L193 HydrophobicContact CD1-CD1 4.04Å; I184-L193 HydrophobicContact CD1-CD2 4.5Å; I184-V234 HydrophobicContact CD1-CG1 3.73Å; I184-V234 HydrophobicContact CG1-CG1 3.7Å; I184-V235 PolarHBondContact N-O 3.25Å; I184-D236 CarbonylContact O-C 3.52Å; I184-D236 VanDerWaalsContact O-CA 3.32Å; I184-D236 WeakPolarHBondContact O-CA 3.44Å; I184-Q237 PolarHBondContact O-N 2.7Å; I184-P259 HydrophobicContact CG2-CG 3.59Å
185Y93.4Very high96.7Very high47 Ų4732 Ų3218%0.18418%0.179CC..  trans-86171.5172.1-54.8-56.6000111.1L187 R210 Q237 R262Y185-L187 PolarHBondContact O-N 2.84Å; Y185-L187 VanDerWaalsContact O-N 3.16Å; Y185-R210 PolarHBondContact O-NH1 2.95Å; Y185-Q237 HydrophobicContact CD1-CG 3.89Å; Y185-Q237 HydrophobicContact CE1-CG 3.56Å; Y185-Q237 VanDerWaalsContact CE1-OE1 3.22Å; Y185-Q237 VanDerWaalsContact CZ-OE1 3.25Å; Y185-Q237 PolarHBondContact OH-OE1 3.36Å; Y185-R262 PolarHBondContact OH-NE 2.75Å
186S91.6Very high96.8Very high68 Ų6830.5 Ų30.548%0.47617%0.171SC..SBendtrans-58.7-24.6-179.651.30000114.8R210S186-R210 PolarHBondContact O-NH1 3.48Å
187L95.3Very high96.9Very high6 Ų627 Ų273%0.03115%0.148CC..SBendtrans-141.6144.3178-179.666.8000110.5M34 H35 L60 C103 P104 Y185 T213 L217M34-L187 HydrophobicContact CB-CD2 3.82Å; H35-L187 PolarHBondContact NE2-O 2.78Å; L60-L187 HydrophobicContact CD1-CD1 3.97Å; L60-L187 HydrophobicContact CD1-CD2 3.76Å; C103-L187 HydrophobicContact CB-CG 4.29Å; P104-L187 HydrophobicContact CB-CD1 4.35Å; P104-L187 HydrophobicContact CG-CD1 4.23Å; Y185-L187 PolarHBondContact O-N 2.84Å; Y185-L187 VanDerWaalsContact O-N 3.16Å; L187-T213 HydrophobicContact CD1-CG2 4.04Å; L187-L217 HydrophobicContact CD1-CD1 3.91Å
188G95.6Very high97Very high2 Ų224.5 Ų24.52%0.02113%0.133CC..SBendtrans106.2157.1-178.200000112.5E190 R210G188-E190 VanDerWaalsContact C-CD 3.42Å; G188-E190 VanDerWaalsContact C-N 3.29Å; G188-E190 WeakPolarHBondContact CA-OE1 3.3Å; G188-E190 WeakPolarHBondContact CA-OE2 3.48Å; G188-E190 PolarHBondContact N-OE1 3.16Å; G188-E190 PolarHBondContact N-OE2 2.67Å; G188-E190 VanDerWaalsContact N-OE2 3.15Å; G188-E190 PolarHBondContact O-N 2.96Å; G188-R210 PolarHBondContact O-NH2 3.09Å
189K97.4Very high97Very high19 Ų1926 Ų268%0.08314%0.141CC..  trans69.517-179.7-53.5165.8178.652.50114.7I184 T191 L192 L193 P259 Y276 D278I184-K189 HydrophobicContact CB-CD 4.2Å; I184-K189 HydrophobicContact CG2-CB 4.46Å; I184-K189 HydrophobicContact CG2-CD 3.48Å; I184-K189 VanDerWaalsContact CG2-CD 3.48Å; K189-T191 VanDerWaalsContact C-N 3.3Å; K189-T191 PolarHBondContact O-N 3.15Å; K189-L192 HydrophobicContact CB-CB 4.41Å; K189-L192 HydrophobicContact CB-CD2 4.49Å; K189-L192 WeakPolarHBondContact O-CB 3.26Å; K189-L192 PolarHBondContact O-N 3.34Å; K189-L192 VanDerWaalsContact O-N 3.09Å; K189-L193 PolarHBondContact O-N 3.08Å; K189-P259 HydrophobicContact CD-CG 4.13Å; K189-P259 WeakPolarHBondContact CE-O 3.27Å; K189-Y276 HydrophobicContact CD-CD1 4.37Å; K189-Y276 HydrophobicContact CD-CE1 4.39Å; K189-Y276 HydrophobicContact CG-CD1 4.25Å; K189-Y276 HydrophobicContact CG-CE1 3.77Å; K189-D278 WeakPolarHBondContact CE-OD2 3.36Å; K189-D278 WeakPolarHBondContact CG-OD2 3.42Å; K189-D278 IonicContact NZ-OD2 3.71Å; K189-D278 PolarHBondContact NZ-OD2 2.84Å
190E96.5Very high97.1Very high5 Ų525.8 Ų25.82%0.02314%0.137CC..Hα-helixtrans-58.7-40.1177.2-67.271.3-153.200112.1P104 G188 L192 L193 V194 R210 L214 L217 L219P104-E190 VanDerWaalsContact CD-OE2 3.28Å; P104-E190 WeakPolarHBondContact CD-OE2 3.47Å; P104-E190 WeakPolarHBondContact CG-OE2 3.42Å; G188-E190 VanDerWaalsContact C-CD 3.42Å; G188-E190 VanDerWaalsContact C-N 3.29Å; G188-E190 WeakPolarHBondContact CA-OE1 3.3Å; G188-E190 WeakPolarHBondContact CA-OE2 3.48Å; G188-E190 PolarHBondContact N-OE1 3.16Å; G188-E190 PolarHBondContact N-OE2 2.67Å; G188-E190 VanDerWaalsContact N-OE2 3.15Å; G188-E190 PolarHBondContact O-N 2.96Å; E190-L192 VanDerWaalsContact C-N 3.29Å; E190-L192 PolarHBondContact O-N 2.91Å; E190-L193 WeakPolarHBondContact O-CB 3.47Å; E190-L193 PolarHBondContact O-N 2.92Å; E190-V194 WeakPolarHBondContact O-CG2 3.29Å; E190-V194 PolarHBondContact O-N 3.03Å; E190-R210 IonicContact OE1-CZ 3.55Å; E190-R210 IonicContact OE1-NH2 3.19Å; E190-R210 PolarHBondContact OE1-NH2 2.87Å; E190-L214 HydrophobicContact CG-CD2 3.64Å; E190-L217 HydrophobicContact CG-CD1 4.42Å; E190-L219 HydrophobicContact CB-CD1 3.82Å; E190-L219 HydrophobicContact CG-CD1 3.71Å
191T96.2Very high97Very high99 Ų9933.4 Ų33.461%0.60717%0.17SC*.Hα-helixtrans-58.5-38.7174.8-40.80000112.7K189 V194 E195K189-T191 VanDerWaalsContact C-N 3.3Å; K189-T191 PolarHBondContact O-N 3.15Å; T191-V194 PolarHBondContact O-N 2.85Å; T191-E195 WeakPolarHBondContact O-CB 3.48Å; T191-E195 PolarHBondContact O-N 2.81Å
192L98.3Very high97Very high1 Ų134.2 Ų34.21%0.00518%0.176CC..Hα-helixtrans-65.1-40.9175.1168.765.8000110.8T165 I168 K189 E190 E195 L196 P259 Y276T165-L192 HydrophobicContact CG2-CD1 3.63Å; I168-L192 HydrophobicContact CD1-CD1 3.87Å; I168-L192 HydrophobicContact CD1-CD2 3.81Å; I168-L192 HydrophobicContact CD1-CG 4.48Å; K189-L192 HydrophobicContact CB-CB 4.41Å; K189-L192 HydrophobicContact CB-CD2 4.49Å; K189-L192 WeakPolarHBondContact O-CB 3.26Å; K189-L192 PolarHBondContact O-N 3.34Å; K189-L192 VanDerWaalsContact O-N 3.09Å; E190-L192 VanDerWaalsContact C-N 3.29Å; E190-L192 PolarHBondContact O-N 2.91Å; L192-E195 PolarHBondContact O-N 2.67Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CG 4.11Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.84Å; L192-L196 VanDerWaalsContact O-N 3.08Å; L192-P259 HydrophobicContact CD2-CB 3.89Å; L192-P259 HydrophobicContact CD2-CG 4.05Å; L192-Y276 HydrophobicContact CB-CE2 3.99Å; L192-Y276 HydrophobicContact CD1-CD2 4.48Å; L192-Y276 HydrophobicContact CD1-CE2 4.26Å; L192-Y276 HydrophobicContact CD2-CD2 4.03Å; L192-Y276 HydrophobicContact CD2-CE2 4.03Å; L192-Y276 HydrophobicContact CD2-CG 4.37Å; L192-Y276 HydrophobicContact CG-CE2 4.32Å
193L98.4Very high96.9Very high0 Ų037.4 Ų37.40%019%0.188CC..Hα-helixtrans-63.6-42.9176.4-58.1176.5000111.3I182 I184 K189 E190 L196 A197 I204 F223 V234I182-L193 HydrophobicContact CD1-CD2 4.06Å; I182-L193 HydrophobicContact CG2-CD2 4.47Å; I184-L193 HydrophobicContact CD1-CD1 4.04Å; I184-L193 HydrophobicContact CD1-CD2 4.5Å; K189-L193 PolarHBondContact O-N 3.08Å; E190-L193 WeakPolarHBondContact O-CB 3.47Å; E190-L193 PolarHBondContact O-N 2.92Å; L193-L196 PolarHBondContact O-N 3.45Å; L193-A197 PolarHBondContact O-N 3.22Å; L193-I204 HydrophobicContact CB-CG2 4.47Å; L193-I204 HydrophobicContact CD1-CG2 4.5Å; L193-I204 HydrophobicContact CD2-CG2 4.39Å; L193-F223 HydrophobicContact CB-CE1 3.94Å; L193-F223 HydrophobicContact CB-CZ 4.25Å; L193-F223 HydrophobicContact CD1-CE1 3.98Å; L193-V234 HydrophobicContact CD1-CG2 3.91Å; L193-V234 HydrophobicContact CD2-CG2 3.63Å; L193-V234 HydrophobicContact CG-CG2 4.42Å
194V98Very high97Very high32 Ų3237.3 Ų37.319%0.19419%0.186CC..Hα-helixtrans-61.9-46.9174.8177.30000111.4E190 T191 L196 A197 M198 I222 F223E190-V194 WeakPolarHBondContact O-CG2 3.29Å; E190-V194 PolarHBondContact O-N 3.03Å; T191-V194 PolarHBondContact O-N 2.85Å; V194-L196 PolarHBondContact O-N 3.17Å; V194-A197 PolarHBondContact O-N 2.65Å; V194-M198 HydrophobicContact CG1-CG 4.45Å; V194-M198 WeakPolarHBondContact O-CG 3.49Å; V194-M198 PolarHBondContact O-N 2.98Å; V194-M198 VanDerWaalsContact O-N 3.12Å; V194-I222 HydrophobicContact CB-CD1 4.14Å; V194-I222 HydrophobicContact CG1-CD1 4.42Å; V194-I222 HydrophobicContact CG2-CD1 3.82Å; V194-F223 HydrophobicContact CG2-CZ 4.33Å
195E98.3Very high97.1Very high61 Ų6138.1 Ų38.129%0.28519%0.19SC..Hα-helixtrans-59.4-29.3176.7-86.6-160.7-103.200113.4T165 K169 T191 L192 E199T165-E195 HydrophobicContact CG2-CB 4.01Å; T165-E195 HydrophobicContact CG2-CG 4.47Å; T165-E195 WeakPolarHBondContact CG2-OE2 3.45Å; T165-E195 PolarHBondContact OG1-OE1 3.04Å; K169-E195 WeakPolarHBondContact CE-O 3.44Å; K169-E195 PolarHBondContact NZ-O 2.82Å; K169-E195 IonicContact NZ-OE2 3.47Å; T191-E195 WeakPolarHBondContact O-CB 3.48Å; T191-E195 PolarHBondContact O-N 2.81Å; L192-E195 PolarHBondContact O-N 2.67Å; E195-E199 VanDerWaalsContact O-CB 3.31Å; E195-E199 WeakPolarHBondContact O-CB 3.2Å; E195-E199 PolarHBondContact O-N 3.03Å
196L98.6Very high97.3Very high0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-84.8-40.8179.1-67.5171.4000112.2I168 K169 I172 I182 L192 L193 V194 M198 E199 F200 I232I168-L196 HydrophobicContact CG2-CD1 3.9Å; I168-L196 HydrophobicContact CG2-CD2 3.91Å; K169-L196 HydrophobicContact CG-CD2 3.58Å; I172-L196 HydrophobicContact CD1-CD2 3.93Å; I182-L196 HydrophobicContact CD1-CD1 3.49Å; I182-L196 VanDerWaalsContact CD1-CD1 3.49Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CG 4.11Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.84Å; L192-L196 VanDerWaalsContact O-N 3.08Å; L193-L196 PolarHBondContact O-N 3.45Å; V194-L196 PolarHBondContact O-N 3.17Å; L196-M198 VanDerWaalsContact C-N 3.34Å; L196-M198 PolarHBondContact O-N 2.93Å; L196-E199 PolarHBondContact O-N 2.93Å; L196-F200 HydrophobicContact CD2-CD2 4.36Å; L196-F200 HydrophobicContact CD2-CE2 3.89Å; L196-F200 VanDerWaalsContact O-CD2 3.32Å; L196-F200 WeakPolarHBondContact O-CD2 3.45Å; L196-F200 PolarHBondContact O-N 3.1Å; L196-I232 HydrophobicContact CB-CD1 4.04Å
197A98.3Very high97.5Very high0 Ų036.9 Ų36.90%018%0.181CC..Hα-helixtrans-57.4-46.9174.300000111.9L193 V194 K201 T202 I204 I222L193-A197 PolarHBondContact O-N 3.22Å; V194-A197 PolarHBondContact O-N 2.65Å; A197-K201 VanDerWaalsContact O-CA 3.24Å; A197-K201 WeakPolarHBondContact O-CA 3.47Å; A197-K201 PolarHBondContact O-N 3.23Å; A197-T202 PolarHBondContact O-N 2.87Å; A197-I204 HydrophobicContact CB-CD1 3.83Å; A197-I204 HydrophobicContact CB-CG1 3.75Å; A197-I222 HydrophobicContact CB-CB 4.19Å; A197-I222 HydrophobicContact CB-CD1 3.43Å; A197-I222 VanDerWaalsContact CB-CD1 3.43Å; A197-I222 HydrophobicContact CB-CG1 4.41Å
198M97.4Very high97.6Very high74 Ų7443.9 Ų43.937%0.36521%0.212SC..Hα-helixtrans-70.4-31.2-179.9-63.3-57.8-66.400112.9V194 L196 F556V194-M198 HydrophobicContact CG1-CG 4.45Å; V194-M198 WeakPolarHBondContact O-CG 3.49Å; V194-M198 PolarHBondContact O-N 2.98Å; V194-M198 VanDerWaalsContact O-N 3.12Å; L196-M198 VanDerWaalsContact C-N 3.34Å; L196-M198 PolarHBondContact O-N 2.93Å; M198-F556 HydrophobicContact CE-CB 4.28Å; M198-F556 HydrophobicContact CE-CD2 4.36Å; M198-F556 HydrophobicContact CE-CG 4.32Å
199E97.8Very high97.5Very high71 Ų7149 Ų4933%0.33224%0.235SC..Hα-helixtrans-69.8-49175.4-178.381.2-155.900111.8K169 R173 E195 L196K169-E199 HydrophobicContact CD-CB 4.33Å; K169-E199 HydrophobicContact CD-CG 3.91Å; K169-E199 VanDerWaalsContact CD-OE2 3.31Å; K169-E199 WeakPolarHBondContact CD-OE2 3.39Å; K169-E199 VanDerWaalsContact CE-OE2 3.3Å; K169-E199 WeakPolarHBondContact CE-OE2 3.43Å; K169-E199 HydrophobicContact CG-CG 4.08Å; K169-E199 IonicContact NZ-OE2 3.39Å; K169-E199 PolarHBondContact NZ-OE2 2.95Å; R173-E199 IonicContact CZ-OE1 3.85Å; R173-E199 IonicContact NE-OE1 2.86Å; R173-E199 PolarHBondContact NE-OE1 3.45Å; R173-E199 IonicContact NH2-OE1 3.2Å; R173-E199 PolarHBondContact NH2-OE1 3.32Å; R173-E199 IonicContact NH2-OE2 3.69Å; E195-E199 VanDerWaalsContact O-CB 3.31Å; E195-E199 WeakPolarHBondContact O-CB 3.2Å; E195-E199 PolarHBondContact O-N 3.03Å; L196-E199 PolarHBondContact O-N 2.93Å
200F97.6Very high97.5Very high42 Ų4248.7 Ų48.718%0.18423%0.234CC..Hα-helixtrans-95.81.9-173.3-63.9-67.2000113.8K169 I172 R173 L196 T202 I232K169-F200 HydrophobicContact CB-CE2 4.48Å; K169-F200 HydrophobicContact CB-CZ 4.35Å; K169-F200 HydrophobicContact CG-CE2 4.21Å; K169-F200 WeakPolarHBondContact O-CZ 3.34Å; I172-F200 HydrophobicContact CB-CE1 4.18Å; I172-F200 HydrophobicContact CB-CE2 3.82Å; I172-F200 HydrophobicContact CB-CZ 3.58Å; I172-F200 HydrophobicContact CD1-CD2 4.45Å; I172-F200 HydrophobicContact CD1-CE2 3.87Å; I172-F200 HydrophobicContact CD1-CZ 4.48Å; I172-F200 HydrophobicContact CG1-CE2 4.47Å; I172-F200 HydrophobicContact CG2-CD1 3.97Å; I172-F200 HydrophobicContact CG2-CD2 3.98Å; I172-F200 HydrophobicContact CG2-CE1 3.62Å; I172-F200 HydrophobicContact CG2-CE2 3.62Å; I172-F200 HydrophobicContact CG2-CG 4.16Å; I172-F200 HydrophobicContact CG2-CZ 3.44Å; I172-F200 VanDerWaalsContact CG2-CZ 3.44Å; R173-F200 HydrophobicContact CG-CE1 3.77Å; R173-F200 HydrophobicContact CG-CZ 4.01Å; L196-F200 HydrophobicContact CD2-CD2 4.36Å; L196-F200 HydrophobicContact CD2-CE2 3.89Å; L196-F200 VanDerWaalsContact O-CD2 3.32Å; L196-F200 WeakPolarHBondContact O-CD2 3.45Å; L196-F200 PolarHBondContact O-N 3.1Å; F200-T202 VanDerWaalsContact C-N 3.27Å; F200-T202 HydrophobicContact CB-CG2 3.94Å; F200-T202 PolarHBondContact O-N 2.85Å; F200-I232 HydrophobicContact CB-CD1 4.27Å; F200-I232 HydrophobicContact CD2-CD1 3.91Å; F200-I232 HydrophobicContact CG-CD1 4.42Å
201K97.3Very high97.5Very high161 Ų16149.2 Ų49.270%0.724%0.236SC*.THydrogen-bonded Turntrans4946.4178.3-58-178.5-177.8179.40112.5A197 L558A197-K201 VanDerWaalsContact O-CA 3.24Å; A197-K201 WeakPolarHBondContact O-CA 3.47Å; A197-K201 PolarHBondContact O-N 3.23Å; K201-L558 HydrophobicContact CB-CD2 4.38Å
202T97.3Very high97.5Very high23 Ų2349.1 Ų49.114%0.14123%0.229CC..  trans-139.1149.8-171.4-163.60000110.5A197 F200 R231 I232A197-T202 PolarHBondContact O-N 2.87Å; F200-T202 VanDerWaalsContact C-N 3.27Å; F200-T202 HydrophobicContact CB-CG2 3.94Å; F200-T202 PolarHBondContact O-N 2.85Å; T202-R231 HydrophobicContact CG2-CB 4.37Å; T202-R231 PolarHBondContact OG1-N 2.98Å; T202-I232 HydrophobicContact CG2-CB 4.44Å; T202-I232 HydrophobicContact CG2-CD1 3.84Å; T202-I232 HydrophobicContact CG2-CG1 3.85Å
203W98.1Very high97.4Very high68 Ų6849.5 Ų49.526%0.25823%0.231SC..  trans-66.2150.8174.7-64.892.7000111T224 G230W203-T224 HydrophobicContact CB-CG2 3.76Å; W203-T224 HydrophobicContact CG-CG2 4.39Å; W203-G230 VanDerWaalsContact O-CA 3.32Å; W203-G230 WeakPolarHBondContact O-CA 3.24Å
204I98.5Very high97.3Very high0 Ų049.7 Ų49.70%023%0.232CC..EExtended strand (participates in β ladder)trans-99.1109.2171.1-53.3-57.5000108.8L193 A197 V206 I222 F223 T224 I232 V234L193-I204 HydrophobicContact CB-CG2 4.47Å; L193-I204 HydrophobicContact CD1-CG2 4.5Å; L193-I204 HydrophobicContact CD2-CG2 4.39Å; A197-I204 HydrophobicContact CB-CD1 3.83Å; A197-I204 HydrophobicContact CB-CG1 3.75Å; I204-V206 HydrophobicContact CG2-CG1 4.19Å; I204-I222 HydrophobicContact CG1-CD1 4.34Å; I204-I222 PolarHBondContact N-O 3.31Å; I204-F223 HydrophobicContact CB-CD1 3.62Å; I204-F223 HydrophobicContact CB-CE1 3.94Å; I204-F223 HydrophobicContact CG1-CD1 4.33Å; I204-F223 HydrophobicContact CG1-CE1 4.26Å; I204-F223 HydrophobicContact CG2-CD1 3.81Å; I204-F223 HydrophobicContact CG2-CE1 3.93Å; I204-F223 WeakPolarHBondContact O-CA 3.34Å; I204-T224 PolarHBondContact O-N 2.75Å; I204-I232 CarbonylContact C-O 3.58Å; I204-I232 WeakPolarHBondContact CA-O 3.48Å; I204-I232 HydrophobicContact CD1-CB 3.78Å; I204-I232 HydrophobicContact CD1-CD1 4.14Å; I204-I232 HydrophobicContact CD1-CG2 3.79Å; I204-V234 HydrophobicContact CG2-CG2 3.49Å; I204-V234 VanDerWaalsContact CG2-CG2 3.49Å
205E98.3Very high97.2Very high22 Ų2256.5 Ų56.510%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-72.6131.7176.6-52.3-173.5164.800110.8T224 G228 A229 G230 I232 R233 V234E205-T224 CarbonylContact C-O 3.54Å; E205-T224 WeakPolarHBondContact CA-O 3.47Å; E205-T224 HydrophobicContact CG-CG2 4.15Å; E205-G228 WeakPolarHBondContact OE1-CA 3.46Å; E205-G228 PolarHBondContact OE1-N 2.93Å; E205-A229 PolarHBondContact OE1-N 2.81Å; E205-G230 PolarHBondContact OE1-N 3.02Å; E205-G230 VanDerWaalsContact OE1-N 3.13Å; E205-I232 PolarHBondContact N-O 2.74Å; E205-R233 HydrophobicContact CB-CB 4.04Å; E205-R233 HydrophobicContact CB-CG 4.19Å; E205-V234 PolarHBondContact O-N 3.16Å
206V98.1Very high97.1Very high12 Ų1255.6 Ų55.67%0.07326%0.258CS..  trans-137.4159.7-179.5-61.10000110.6I204 R210 M211 L214 F223 T224 T225 V234I204-V206 HydrophobicContact CG2-CG1 4.19Å; V206-R210 HydrophobicContact CB-CB 4.26Å; V206-R210 HydrophobicContact CB-CG 4.47Å; V206-R210 HydrophobicContact CG1-CG 4.49Å; V206-M211 HydrophobicContact CG2-CB 3.95Å; V206-M211 HydrophobicContact CG2-CE 3.89Å; V206-L214 HydrophobicContact CB-CD1 4.5Å; V206-L214 HydrophobicContact CG1-CD1 3.97Å; V206-L214 HydrophobicContact CG2-CD1 4.19Å; V206-F223 HydrophobicContact CG1-CD1 3.98Å; V206-F223 HydrophobicContact CG2-CB 4.41Å; V206-T224 WeakPolarHBondContact CG2-O 3.48Å; V206-T224 PolarHBondContact N-O 2.92Å; V206-T225 HydrophobicContact CG2-CG2 4.4Å; V206-V234 HydrophobicContact CG1-CB 4.16Å; V206-V234 HydrophobicContact CG1-CG2 4.25Å
207N96.4Very high96.9Very high76 Ų7657 Ų5741%0.40627%0.265SS..  trans-76.7158.7168.870.5-28.6000111.1E209 R210 M211N207-E209 VanDerWaalsContact C-N 3.26Å; N207-E209 PolarHBondContact O-N 3.06Å; N207-R210 PolarHBondContact O-N 3.36Å; N207-R210 WeakPolarHBondContact OD1-CB 3.43Å; N207-R210 PolarHBondContact OD1-N 3.34Å; N207-M211 PolarHBondContact O-N 3.21Å
208F96.4Very high96.8Very high153 Ų15365.8 Ų65.867%0.67131%0.306SS*.Hα-helixtrans-50-43.9178.2-65.4-74.9000113.3R210 M211 E212 T225F208-R210 VanDerWaalsContact C-N 3.35Å; F208-R210 PolarHBondContact O-N 2.93Å; F208-M211 WeakPolarHBondContact O-CB 3.26Å; F208-M211 PolarHBondContact O-N 2.56Å; F208-M211 VanDerWaalsContact O-N 3.14Å; F208-E212 WeakPolarHBondContact O-CG 3.4Å; F208-E212 PolarHBondContact O-N 3.02Å; F208-T225 HydrophobicContact CD1-CG2 3.77Å; F208-T225 HydrophobicContact CE1-CG2 4.01Å; F208-T225 HydrophobicContact CG-CG2 4.29Å
209E95.1Very high96.6Very high110 Ų11064.9 Ų64.951%0.51430%0.302SS..Hα-helixtrans-58.6-42.2177.9-174.7-167.9-17900112.8K64 N207 T213K64-E209 PolarHBondContact NZ-O 2.81Å; N207-E209 VanDerWaalsContact C-N 3.26Å; N207-E209 PolarHBondContact O-N 3.06Å; E209-T213 PolarHBondContact O-N 3.47Å; E209-T213 PolarHBondContact O-OG1 3.11Å
210R95.9Very high96.4Very high13 Ų1364.4 Ų64.45%0.04931%0.305CS..Hα-helixtrans-74.2-35175.7-171.3178.8-176.687.410.8111.2Y185 S186 G188 E190 V206 N207 F208 E212 T213 L214Y185-R210 PolarHBondContact O-NH1 2.95Å; S186-R210 PolarHBondContact O-NH1 3.48Å; G188-R210 PolarHBondContact O-NH2 3.09Å; E190-R210 IonicContact OE1-CZ 3.55Å; E190-R210 IonicContact OE1-NH2 3.19Å; E190-R210 PolarHBondContact OE1-NH2 2.87Å; V206-R210 HydrophobicContact CB-CB 4.26Å; V206-R210 HydrophobicContact CB-CG 4.47Å; V206-R210 HydrophobicContact CG1-CG 4.49Å; N207-R210 PolarHBondContact O-N 3.36Å; N207-R210 WeakPolarHBondContact OD1-CB 3.43Å; N207-R210 PolarHBondContact OD1-N 3.34Å; F208-R210 VanDerWaalsContact C-N 3.35Å; F208-R210 PolarHBondContact O-N 2.93Å; R210-E212 VanDerWaalsContact C-N 3.32Å; R210-E212 PolarHBondContact O-N 3.12Å; R210-T213 WeakPolarHBondContact O-CB 3.5Å; R210-T213 PolarHBondContact O-N 2.92Å; R210-T213 VanDerWaalsContact O-N 3.1Å; R210-L214 HydrophobicContact CG-CD1 3.9Å; R210-L214 HydrophobicContact CG-CG 4.13Å; R210-L214 WeakPolarHBondContact O-CG 3.48Å; R210-L214 PolarHBondContact O-N 3.01Å
211M97.1Very high96.3Very high15 Ų1569.1 Ų69.17%0.07433%0.332CS..Hα-helixtrans-56.9-43.1172.9176.657.773.300112V206 N207 F208 T213 L214 R215 F223 T225V206-M211 HydrophobicContact CG2-CB 3.95Å; V206-M211 HydrophobicContact CG2-CE 3.89Å; N207-M211 PolarHBondContact O-N 3.21Å; F208-M211 WeakPolarHBondContact O-CB 3.26Å; F208-M211 PolarHBondContact O-N 2.56Å; F208-M211 VanDerWaalsContact O-N 3.14Å; M211-T213 PolarHBondContact O-N 3.25Å; M211-L214 PolarHBondContact O-N 3.46Å; M211-R215 WeakPolarHBondContact O-CB 3.22Å; M211-R215 VanDerWaalsContact O-CG 3.3Å; M211-R215 WeakPolarHBondContact O-CG 3.47Å; M211-R215 PolarHBondContact O-N 3.37Å; M211-R215 HydrophobicContact SD-CG 4.07Å; M211-R215 PolarHBondContact SD-NE 3.28Å; M211-F223 HydrophobicContact CE-CB 3.81Å; M211-F223 WeakPolarHBondContact CE-O 3.28Å; M211-T225 HydrophobicContact CB-CG2 3.69Å; M211-T225 HydrophobicContact CE-CG2 4.11Å; M211-T225 HydrophobicContact CG-CG2 3.96Å
212E96.6Very high96.2Very high97 Ų9762 Ų6245%0.45330%0.302SS..Hα-helixtrans-59-45.3172.3-65.4173.7145.800112.4L63 K64 F208 R210 R215 A216L63-E212 HydrophobicContact CD2-CB 4.22Å; K64-E212 IonicContact NZ-OE2 2.74Å; K64-E212 PolarHBondContact NZ-OE2 2.71Å; F208-E212 WeakPolarHBondContact O-CG 3.4Å; F208-E212 PolarHBondContact O-N 3.02Å; R210-E212 VanDerWaalsContact C-N 3.32Å; R210-E212 PolarHBondContact O-N 3.12Å; E212-R215 PolarHBondContact O-N 3.03Å; E212-A216 WeakPolarHBondContact O-CB 3.17Å; E212-A216 PolarHBondContact O-N 3.13Å
213T96.4Very high96.2Very high9 Ų961.5 Ų61.56%0.05530%0.298CS..Hα-helixtrans-59-48.5176.6-54.80000110.6L60 K64 L187 E209 R210 M211 R215 A216 L217L60-T213 HydrophobicContact CD2-CG2 3.92Å; K64-T213 WeakPolarHBondContact CE-OG1 3.43Å; L187-T213 HydrophobicContact CD1-CG2 4.04Å; E209-T213 PolarHBondContact O-N 3.47Å; E209-T213 PolarHBondContact O-OG1 3.11Å; R210-T213 WeakPolarHBondContact O-CB 3.5Å; R210-T213 PolarHBondContact O-N 2.92Å; R210-T213 VanDerWaalsContact O-N 3.1Å; M211-T213 PolarHBondContact O-N 3.25Å; T213-R215 VanDerWaalsContact C-N 3.35Å; T213-R215 PolarHBondContact O-N 3.45Å; T213-A216 CarbonylContact O-C 3.5Å; T213-A216 PolarHBondContact O-N 3.19Å; T213-L217 HydrophobicContact CG2-CD1 4.07Å; T213-L217 VanDerWaalsContact O-CG 3.26Å; T213-L217 WeakPolarHBondContact O-CG 3.33Å; T213-L217 PolarHBondContact O-N 2.98Å
214L96.3Very high96.2Very high4 Ų459 Ų592%0.02129%0.29CS..Hα-helixtrans-65.8-36.6-176.5-64.8164.4000112.1E190 V206 R210 M211 L217 E218 L219 F223E190-L214 HydrophobicContact CG-CD2 3.64Å; V206-L214 HydrophobicContact CB-CD1 4.5Å; V206-L214 HydrophobicContact CG1-CD1 3.97Å; V206-L214 HydrophobicContact CG2-CD1 4.19Å; R210-L214 HydrophobicContact CG-CD1 3.9Å; R210-L214 HydrophobicContact CG-CG 4.13Å; R210-L214 WeakPolarHBondContact O-CG 3.48Å; R210-L214 PolarHBondContact O-N 3.01Å; M211-L214 PolarHBondContact O-N 3.46Å; L214-L217 PolarHBondContact O-N 2.89Å; L214-E218 PolarHBondContact O-N 2.83Å; L214-L219 HydrophobicContact CB-CD1 4.37Å; L214-L219 HydrophobicContact CD2-CD1 3.44Å; L214-L219 VanDerWaalsContact CD2-CD1 3.44Å; L214-L219 HydrophobicContact CG-CD1 4.5Å; L214-L219 PolarHBondContact O-N 2.98Å; L214-F223 HydrophobicContact CD1-CB 4.18Å; L214-F223 HydrophobicContact CD1-CD1 3.56Å; L214-F223 HydrophobicContact CD1-CD2 4.07Å; L214-F223 HydrophobicContact CD1-CE1 3.89Å; L214-F223 HydrophobicContact CD1-CE2 4.36Å; L214-F223 HydrophobicContact CD1-CG 3.67Å; L214-F223 HydrophobicContact CD1-CZ 4.28Å; L214-F223 HydrophobicContact CD2-CE1 4.25Å; L214-F223 HydrophobicContact CD2-CE2 4.2Å; L214-F223 HydrophobicContact CD2-CZ 3.99Å
215R95.9Very high96.2Very high176 Ų17660.8 Ų60.866%0.66430%0.301SS*.Hα-helixtrans-65.7-42.6171.9-71.6172.5-178.3177.51.4112.2M211 E212 T213 L217 E218M211-R215 WeakPolarHBondContact O-CB 3.22Å; M211-R215 VanDerWaalsContact O-CG 3.3Å; M211-R215 WeakPolarHBondContact O-CG 3.47Å; M211-R215 PolarHBondContact O-N 3.37Å; M211-R215 HydrophobicContact SD-CG 4.07Å; M211-R215 PolarHBondContact SD-NE 3.28Å; E212-R215 PolarHBondContact O-N 3.03Å; T213-R215 VanDerWaalsContact C-N 3.35Å; T213-R215 PolarHBondContact O-N 3.45Å; R215-L217 PolarHBondContact O-N 2.97Å; R215-E218 PolarHBondContact O-N 2.78Å; R215-E218 VanDerWaalsContact O-N 3.08Å
216A95.3Very high96.1Very high42 Ų4266 Ų6635%0.34733%0.325SS..THydrogen-bonded Turntrans-71.2-5.717500000114.1L60 L63 E212 T213L60-A216 HydrophobicContact CD2-CB 4.36Å; L63-A216 HydrophobicContact CD2-CB 3.79Å; E212-A216 WeakPolarHBondContact O-CB 3.17Å; E212-A216 PolarHBondContact O-N 3.13Å; T213-A216 CarbonylContact O-C 3.5Å; T213-A216 PolarHBondContact O-N 3.19Å
217L95.4Very high95.9Very high29 Ų2971.1 Ų71.115%0.15236%0.359CS..THydrogen-bonded Turntrans-103.93.6171.2-68.5176.5000113V56 L60 P104 L187 E190 T213 L214 R215 L219V56-L217 HydrophobicContact CG1-CD2 3.41Å; V56-L217 VanDerWaalsContact CG1-CD2 3.41Å; L60-L217 HydrophobicContact CD1-CD2 4.25Å; P104-L217 HydrophobicContact CB-CD1 3.86Å; P104-L217 HydrophobicContact CB-CD2 3.54Å; P104-L217 HydrophobicContact CB-CG 4.32Å; P104-L217 HydrophobicContact CG-CD1 3.89Å; P104-L217 HydrophobicContact CG-CD2 4.47Å; L187-L217 HydrophobicContact CD1-CD1 3.91Å; E190-L217 HydrophobicContact CG-CD1 4.42Å; T213-L217 HydrophobicContact CG2-CD1 4.07Å; T213-L217 VanDerWaalsContact O-CG 3.26Å; T213-L217 WeakPolarHBondContact O-CG 3.33Å; T213-L217 PolarHBondContact O-N 2.98Å; L214-L217 PolarHBondContact O-N 2.89Å; R215-L217 PolarHBondContact O-N 2.97Å; L217-L219 HydrophobicContact CB-CD1 3.75Å; L217-L219 HydrophobicContact CB-CG 3.88Å; L217-L219 HydrophobicContact CD1-CD1 4Å; L217-L219 PolarHBondContact O-N 3.22Å; L217-L219 VanDerWaalsContact O-N 3.16Å
218E95.4Very high95.7Very high185 Ų18571.1 Ų71.186%0.86438%0.377SS*.THydrogen-bonded Turntrans52.934.7178.9-59.7-178.1-169.200113.7L214 R215L214-E218 PolarHBondContact O-N 2.83Å; R215-E218 PolarHBondContact O-N 2.78Å; R215-E218 VanDerWaalsContact O-N 3.08Å
219L93.8Very high95.6Very high54 Ų5465.7 Ų65.728%0.28336%0.36SS..  trans-77.3157.6-177.1-70.6164.4000112.6E190 L214 L217 F223E190-L219 HydrophobicContact CB-CD1 3.82Å; E190-L219 HydrophobicContact CG-CD1 3.71Å; L214-L219 HydrophobicContact CB-CD1 4.37Å; L214-L219 HydrophobicContact CD2-CD1 3.44Å; L214-L219 VanDerWaalsContact CD2-CD1 3.44Å; L214-L219 HydrophobicContact CG-CD1 4.5Å; L214-L219 PolarHBondContact O-N 2.98Å; L217-L219 HydrophobicContact CB-CD1 3.75Å; L217-L219 HydrophobicContact CB-CG 3.88Å; L217-L219 HydrophobicContact CD1-CD1 4Å; L217-L219 PolarHBondContact O-N 3.22Å; L217-L219 VanDerWaalsContact O-N 3.16Å; L219-F223 HydrophobicContact CB-CE2 4.15Å
220P93.5Very high95.6Very high61 Ų6160.9 Ų60.940%0.39634%0.34SS..  trans-56.9148-177.8-25.834.9000114I222 F223P220-I222 HydrophobicContact CB-CG1 4.44Å; P220-I222 HydrophobicContact CB-CG2 4.45Å; P220-I222 WeakPolarHBondContact O-CG1 3.31Å; P220-I222 PolarHBondContact O-N 3.25Å; P220-F223 WeakPolarHBondContact O-CD2 3.38Å
221D94.4Very high95.6Very high141 Ų14163.1 Ų63.175%0.75435%0.348SS*.SBendtrans-76.374.4-179.6-164.225.2000111.5
222I96.8Very high95.6Very high13 Ų1362.4 Ų62.47%0.06735%0.345CS..  trans-130.63.7179.858.1148.5000112.1V194 A197 I204 P220V194-I222 HydrophobicContact CB-CD1 4.14Å; V194-I222 HydrophobicContact CG1-CD1 4.42Å; V194-I222 HydrophobicContact CG2-CD1 3.82Å; A197-I222 HydrophobicContact CB-CB 4.19Å; A197-I222 HydrophobicContact CB-CD1 3.43Å; A197-I222 VanDerWaalsContact CB-CD1 3.43Å; A197-I222 HydrophobicContact CB-CG1 4.41Å; I204-I222 HydrophobicContact CG1-CD1 4.34Å; I204-I222 PolarHBondContact N-O 3.31Å; P220-I222 HydrophobicContact CB-CG1 4.44Å; P220-I222 HydrophobicContact CB-CG2 4.45Å; P220-I222 WeakPolarHBondContact O-CG1 3.31Å; P220-I222 PolarHBondContact O-N 3.25Å
223F97.8Very high95.7Very high12 Ų1262 Ų625%0.05334%0.339CS..EExtended strand (participates in β ladder)trans-108.3144.6-176.2-60.8-82000109.6L193 V194 I204 V206 M211 L214 L219 P220L193-F223 HydrophobicContact CB-CE1 3.94Å; L193-F223 HydrophobicContact CB-CZ 4.25Å; L193-F223 HydrophobicContact CD1-CE1 3.98Å; V194-F223 HydrophobicContact CG2-CZ 4.33Å; I204-F223 HydrophobicContact CB-CD1 3.62Å; I204-F223 HydrophobicContact CB-CE1 3.94Å; I204-F223 HydrophobicContact CG1-CD1 4.33Å; I204-F223 HydrophobicContact CG1-CE1 4.26Å; I204-F223 HydrophobicContact CG2-CD1 3.81Å; I204-F223 HydrophobicContact CG2-CE1 3.93Å; I204-F223 WeakPolarHBondContact O-CA 3.34Å; V206-F223 HydrophobicContact CG1-CD1 3.98Å; V206-F223 HydrophobicContact CG2-CB 4.41Å; M211-F223 HydrophobicContact CE-CB 3.81Å; M211-F223 WeakPolarHBondContact CE-O 3.28Å; L214-F223 HydrophobicContact CD1-CB 4.18Å; L214-F223 HydrophobicContact CD1-CD1 3.56Å; L214-F223 HydrophobicContact CD1-CD2 4.07Å; L214-F223 HydrophobicContact CD1-CE1 3.89Å; L214-F223 HydrophobicContact CD1-CE2 4.36Å; L214-F223 HydrophobicContact CD1-CG 3.67Å; L214-F223 HydrophobicContact CD1-CZ 4.28Å; L214-F223 HydrophobicContact CD2-CE1 4.25Å; L214-F223 HydrophobicContact CD2-CE2 4.2Å; L214-F223 HydrophobicContact CD2-CZ 3.99Å; L219-F223 HydrophobicContact CB-CE2 4.15Å; P220-F223 WeakPolarHBondContact O-CD2 3.38Å
224T98Very high95.8Very high15 Ų1562.1 Ų62.19%0.09234%0.34CS..EExtended strand (participates in β ladder)trans-137.3156.4176.6-1740000111.7W203 I204 E205 V206 E226 A229W203-T224 HydrophobicContact CB-CG2 3.76Å; W203-T224 HydrophobicContact CG-CG2 4.39Å; I204-T224 PolarHBondContact O-N 2.75Å; E205-T224 CarbonylContact C-O 3.54Å; E205-T224 WeakPolarHBondContact CA-O 3.47Å; E205-T224 HydrophobicContact CG-CG2 4.15Å; V206-T224 WeakPolarHBondContact CG2-O 3.48Å; V206-T224 PolarHBondContact N-O 2.92Å; T224-E226 WeakPolarHBondContact OG1-CB 3.36Å; T224-E226 PolarHBondContact OG1-N 2.94Å; T224-E226 VanDerWaalsContact OG1-N 3.09Å; T224-A229 HydrophobicContact CG2-CB 3.86Å
225T97.7Very high95.8Very high38 Ų3862.7 Ų62.723%0.23334%0.344CS..  trans-103.91.6169.351.30000112.5V206 F208 M211V206-T225 HydrophobicContact CG2-CG2 4.4Å; F208-T225 HydrophobicContact CD1-CG2 3.77Å; F208-T225 HydrophobicContact CE1-CG2 4.01Å; F208-T225 HydrophobicContact CG-CG2 4.29Å; M211-T225 HydrophobicContact CB-CG2 3.69Å; M211-T225 HydrophobicContact CE-CG2 4.11Å; M211-T225 HydrophobicContact CG-CG2 3.96Å
226E96.8Very high95.8Very high130 Ų13057.2 Ų57.261%0.60733%0.328SS*.SBendtrans-84.8120-179.6-62.8179.4158.700110.2T224 A229T224-E226 WeakPolarHBondContact OG1-CB 3.36Å; T224-E226 PolarHBondContact OG1-N 2.94Å; T224-E226 VanDerWaalsContact OG1-N 3.09Å; E226-A229 HydrophobicContact CB-CB 3.97Å; E226-A229 WeakPolarHBondContact O-CB 3.32Å; E226-A229 PolarHBondContact O-N 2.95Å
227P93.5Very high95.8Very high121 Ų12157.7 Ų57.779%0.78632%0.323SS*.THydrogen-bonded Turntrans-70.8135.9177-16.431.2000111.8A229P227-A229 VanDerWaalsContact C-N 3.33Å
228G91.7Very high95.7Very high76 Ų7660.5 Ų60.578%0.78435%0.345SS*.THydrogen-bonded Turntrans88.2-8.5-176.400000114.2E205 G230E205-G228 WeakPolarHBondContact OE1-CA 3.46Å; E205-G228 PolarHBondContact OE1-N 2.93Å; G228-G230 VanDerWaalsContact C-N 3.32Å
229A94.8Very high95.6Very high38 Ų3857.4 Ų57.431%0.31433%0.328SS..SBendtrans-78.7-13.9179.600000113.4E205 T224 E226 P227E205-A229 PolarHBondContact OE1-N 2.81Å; T224-A229 HydrophobicContact CG2-CB 3.86Å; E226-A229 HydrophobicContact CB-CB 3.97Å; E226-A229 WeakPolarHBondContact O-CB 3.32Å; E226-A229 PolarHBondContact O-N 2.95Å; P227-A229 VanDerWaalsContact C-N 3.33Å
230G93.9Very high95.7Very high9 Ų955.3 Ų55.39%0.09332%0.317CS..  trans-141138.2-179.200000113.8W203 E205 G228 I232W203-G230 VanDerWaalsContact O-CA 3.32Å; W203-G230 WeakPolarHBondContact O-CA 3.24Å; E205-G230 PolarHBondContact OE1-N 3.02Å; E205-G230 VanDerWaalsContact OE1-N 3.13Å; G228-G230 VanDerWaalsContact C-N 3.32Å; G230-I232 PolarHBondContact O-N 3.4Å
231R96Very high95.8Very high60 Ų6054.9 Ų54.923%0.22632%0.316CS..SBendtrans-68.8-18.5174.8-179.4174.3166.7-126.1-9.6112.6I172 N175 P176 H178 V180 T202I172-R231 PolarHBondContact O-NH2 3.37Å; N175-R231 PolarHBondContact O-NH2 3.45Å; P176-R231 PolarHBondContact O-NE 2.86Å; P176-R231 VanDerWaalsContact O-NE 3.17Å; P176-R231 PolarHBondContact O-NH2 3.31Å; H178-R231 PolarHBondContact O-NE 3.07Å; H178-R231 PolarHBondContact O-NH2 2.8Å; H178-R231 VanDerWaalsContact O-NH2 3.15Å; V180-R231 PolarHBondContact N-O 2.88Å; T202-R231 HydrophobicContact CG2-CB 4.37Å; T202-R231 PolarHBondContact OG1-N 2.98Å
232I98.4Very high95.8Very high0 Ų051.8 Ų51.80%031%0.305CS..EExtended strand (participates in β ladder)trans-113.7119.2-177.4-55.6176.9000109.6V180 I182 L196 F200 T202 I204 E205 G230V180-I232 HydrophobicContact CB-CG1 4.12Å; V180-I232 HydrophobicContact CG1-CG1 4.44Å; V180-I232 HydrophobicContact CG1-CG2 4.32Å; V180-I232 CarbonylContact O-C 3.58Å; V180-I232 WeakPolarHBondContact O-CA 3.41Å; I182-I232 HydrophobicContact CD1-CG2 3.47Å; I182-I232 VanDerWaalsContact CD1-CG2 3.47Å; I182-I232 HydrophobicContact CG1-CG2 3.97Å; L196-I232 HydrophobicContact CB-CD1 4.04Å; F200-I232 HydrophobicContact CB-CD1 4.27Å; F200-I232 HydrophobicContact CD2-CD1 3.91Å; F200-I232 HydrophobicContact CG-CD1 4.42Å; T202-I232 HydrophobicContact CG2-CB 4.44Å; T202-I232 HydrophobicContact CG2-CD1 3.84Å; T202-I232 HydrophobicContact CG2-CG1 3.85Å; I204-I232 CarbonylContact C-O 3.58Å; I204-I232 WeakPolarHBondContact CA-O 3.48Å; I204-I232 HydrophobicContact CD1-CB 3.78Å; I204-I232 HydrophobicContact CD1-CD1 4.14Å; I204-I232 HydrophobicContact CD1-CG2 3.79Å; E205-I232 PolarHBondContact N-O 2.74Å; G230-I232 PolarHBondContact O-N 3.4Å
233R97.9Very high95.7Very high89 Ų8954.3 Ų54.334%0.33633%0.328SS..EExtended strand (participates in β ladder)trans-118137.6-178.7171.4176.6160.8-172.1-0.2111.4V180 V181 I182 E205 V235V180-R233 PolarHBondContact O-N 2.78Å; V181-R233 CarbonylContact C-O 3.54Å; V181-R233 WeakPolarHBondContact CA-O 3.5Å; I182-R233 PolarHBondContact N-O 2.8Å; E205-R233 HydrophobicContact CB-CB 4.04Å; E205-R233 HydrophobicContact CB-CG 4.19Å; R233-V235 HydrophobicContact CG-CG1 4.44Å
234V98.3Very high95.7Very high12 Ų1256.1 Ų56.17%0.07334%0.34CS..EExtended strand (participates in β ladder)trans-101.4135.7178.2-179.60000110.5I182 I184 L193 I204 E205 V206I182-V234 WeakPolarHBondContact O-CA 3.06Å; I184-V234 HydrophobicContact CD1-CG1 3.73Å; I184-V234 HydrophobicContact CG1-CG1 3.7Å; L193-V234 HydrophobicContact CD1-CG2 3.91Å; L193-V234 HydrophobicContact CD2-CG2 3.63Å; L193-V234 HydrophobicContact CG-CG2 4.42Å; I204-V234 HydrophobicContact CG2-CG2 3.49Å; I204-V234 VanDerWaalsContact CG2-CG2 3.49Å; E205-V234 PolarHBondContact O-N 3.16Å; V206-V234 HydrophobicContact CG1-CB 4.16Å; V206-V234 HydrophobicContact CG1-CG2 4.25Å
235V97.3Very high95.6Very high15 Ų1555.5 Ų55.59%0.09134%0.336CS..EExtended strand (participates in β ladder)trans-134.4160.9173.2-60.80000110.6V181 I182 G183 I184 R233 Q237 I240 W248V181-V235 HydrophobicContact CG1-CB 4.34Å; V181-V235 HydrophobicContact CG1-CG1 3.96Å; V181-V235 HydrophobicContact CG1-CG2 3.45Å; V181-V235 VanDerWaalsContact CG1-CG2 3.45Å; I182-V235 PolarHBondContact O-N 3.01Å; G183-V235 WeakPolarHBondContact CA-O 3.42Å; I184-V235 PolarHBondContact N-O 3.25Å; R233-V235 HydrophobicContact CG-CG1 4.44Å; V235-Q237 PolarHBondContact O-N 2.83Å; V235-I240 HydrophobicContact CG2-CD1 3.79Å; V235-I240 HydrophobicContact CG2-CG1 3.63Å; V235-W248 HydrophobicContact CG1-CH2 4.42Å; V235-W248 HydrophobicContact CG1-CZ2 4.39Å; V235-W248 HydrophobicContact CG2-CH2 4.42Å
236D95.8Very high95.5Very high62 Ų6259 Ų5933%0.33235%0.349SS..EExtended strand (participates in β ladder)trans-61.6132.3163.1-178-83000109.5I184 S238 K239I184-D236 CarbonylContact O-C 3.52Å; I184-D236 VanDerWaalsContact O-CA 3.32Å; I184-D236 WeakPolarHBondContact O-CA 3.44Å; D236-S238 PolarHBondContact O-N 2.86Å; D236-S238 WeakPolarHBondContact OD1-CB 3.4Å; D236-S238 PolarHBondContact OD1-N 2.87Å; D236-S238 PolarHBondContact OD1-OG 3.16Å; D236-K239 HydrophobicContact CB-CG 4.45Å; D236-K239 WeakPolarHBondContact O-CB 3.3Å; D236-K239 PolarHBondContact O-N 3.06Å
237Q94.4Very high95.4Very high51 Ų5157.2 Ų57.224%0.23834%0.341CS..G310 helixtrans-54.8-26.6-17752.7131.474.700114.6I184 Y185 V235 K239 I240 L258I184-Q237 PolarHBondContact O-N 2.7Å; Y185-Q237 HydrophobicContact CD1-CG 3.89Å; Y185-Q237 HydrophobicContact CE1-CG 3.56Å; Y185-Q237 VanDerWaalsContact CE1-OE1 3.22Å; Y185-Q237 VanDerWaalsContact CZ-OE1 3.25Å; Y185-Q237 PolarHBondContact OH-OE1 3.36Å; V235-Q237 PolarHBondContact O-N 2.83Å; Q237-K239 PolarHBondContact O-N 3.26Å; Q237-I240 PolarHBondContact O-N 3.2Å; Q237-L258 HydrophobicContact CB-CD2 3.89Å
238S92.8Very high95.5Very high89 Ų8952.5 Ų52.562%0.62231%0.308SS*.G310 helixtrans-69.2-18.5176.168.50000114.1D236 I240D236-S238 PolarHBondContact O-N 2.86Å; D236-S238 WeakPolarHBondContact OD1-CB 3.4Å; D236-S238 PolarHBondContact OD1-N 2.87Å; D236-S238 PolarHBondContact OD1-OG 3.16Å; S238-I240 VanDerWaalsContact C-N 3.32Å
239K94.7Very high95.8Very high119 Ų11951.5 Ų51.552%0.51728%0.284SS..G310 helixtrans-78.7-14.2177-60.7-174.7-179.9-177.90113.1D236 Q237 C241 V244D236-K239 HydrophobicContact CB-CG 4.45Å; D236-K239 WeakPolarHBondContact O-CB 3.3Å; D236-K239 PolarHBondContact O-N 3.06Å; Q237-K239 PolarHBondContact O-N 3.26Å; K239-C241 PolarHBondContact O-N 3.17Å; K239-C241 VanDerWaalsContact O-N 3.12Å; K239-V244 WeakPolarHBondContact O-CB 3.3Å; K239-V244 WeakPolarHBondContact O-CG1 3.4Å
240I95.5Very high95.8Very high10 Ų1055.7 Ų55.75%0.05130%0.295CS..  trans-84.188.1-180-56-168.3000109.3V181 G183 V235 Q237 S238 W248 A256 L258 F267V181-I240 HydrophobicContact CG1-CD1 3.98Å; V181-I240 HydrophobicContact CG1-CG1 4.43Å; G183-I240 VanDerWaalsContact CA-CD1 3.46Å; V235-I240 HydrophobicContact CG2-CD1 3.79Å; V235-I240 HydrophobicContact CG2-CG1 3.63Å; Q237-I240 PolarHBondContact O-N 3.2Å; S238-I240 VanDerWaalsContact C-N 3.32Å; I240-W248 HydrophobicContact CG1-CH2 4.47Å; I240-A256 HydrophobicContact CD1-CB 4.24Å; I240-A256 HydrophobicContact CG2-CB 3.8Å; I240-L258 HydrophobicContact CD1-CD2 4.03Å; I240-F267 HydrophobicContact CG2-CZ 4.19Å; I240-F267 WeakPolarHBondContact O-CE1 3.46Å; I240-F267 WeakPolarHBondContact O-CZ 3.47Å
241C95.3Very high95.7Very high53 Ų5362.8 Ų62.836%0.35833%0.326SS..SBendtrans-132.7165.117677.90000111.4K239 A243 V244 L245K239-C241 PolarHBondContact O-N 3.17Å; K239-C241 VanDerWaalsContact O-N 3.12Å; C241-A243 VanDerWaalsContact C-N 3.33Å; C241-A243 PolarHBondContact O-N 3.43Å; C241-V244 PolarHBondContact O-N 2.96Å; C241-L245 WeakPolarHBondContact O-CB 3.48Å; C241-L245 PolarHBondContact O-N 2.71Å
242S94.4Very high95.6Very high75 Ų7563.7 Ų63.752%0.52433%0.333SS..Hα-helixtrans-55.7-42.1-174.8-170.90000113.6H246 F267S242-H246 WeakPolarHBondContact O-CB 3.31Å; S242-H246 PolarHBondContact O-N 3.46Å; S242-F267 VanDerWaalsContact N-CE2 3.32Å
243A95.4Very high95.5Very high67 Ų6766.8 Ų66.855%0.55435%0.353SS*.Hα-helixtrans-65.3-47.3179.300000112.4C241 L245 H246 E247C241-A243 VanDerWaalsContact C-N 3.33Å; C241-A243 PolarHBondContact O-N 3.43Å; A243-L245 PolarHBondContact O-N 3.21Å; A243-H246 WeakPolarHBondContact O-CB 3.4Å; A243-H246 PolarHBondContact O-N 2.78Å; A243-E247 PolarHBondContact O-N 2.82Å; A243-E247 VanDerWaalsContact O-N 3.16Å
244V96.3Very high95.5Very high50 Ų5062.8 Ų62.830%0.30334%0.338SS..Hα-helixtrans-67.2-38.5-180173.90000111.3K239 C241 H246 E247 W248K239-V244 WeakPolarHBondContact O-CB 3.3Å; K239-V244 WeakPolarHBondContact O-CG1 3.4Å; C241-V244 PolarHBondContact O-N 2.96Å; V244-H246 VanDerWaalsContact C-N 3.31Å; V244-H246 PolarHBondContact O-N 3.49Å; V244-E247 PolarHBondContact O-N 2.84Å; V244-W248 HydrophobicContact CG1-CD2 4.01Å; V244-W248 VanDerWaalsContact CG1-CE2 3.45Å; V244-W248 HydrophobicContact CG1-CE3 4.28Å; V244-W248 HydrophobicContact CG1-CH2 3.56Å; V244-W248 HydrophobicContact CG1-CZ2 3.23Å; V244-W248 HydrophobicContact CG1-CZ3 4.07Å; V244-W248 PolarHBondContact O-N 3.22Å; V244-W248 VanDerWaalsContact O-N 3.11Å
245L96Very high95.4Very high2 Ų262.2 Ų62.21%0.0134%0.335CS..Hα-helixtrans-66.5-32.4174.4-176.760.3000112.2C241 A243 W248 N249 T254 F267 H268 V271C241-L245 WeakPolarHBondContact O-CB 3.48Å; C241-L245 PolarHBondContact O-N 2.71Å; A243-L245 PolarHBondContact O-N 3.21Å; L245-W248 HydrophobicContact CD1-CE3 4.02Å; L245-N249 PolarHBondContact O-N 2.82Å; L245-N249 VanDerWaalsContact O-N 3.15Å; L245-N249 PolarHBondContact O-ND2 3.47Å; L245-T254 HydrophobicContact CD1-CG2 3.84Å; L245-F267 HydrophobicContact CD2-CE2 4.46Å; L245-H268 HydrophobicContact CD2-CB 4.17Å; L245-H268 WeakPolarHBondContact CD2-ND1 3.45Å; L245-V271 HydrophobicContact CD2-CG2 3.51Å
246H95.5Very high95.5Very high110 Ų11061.5 Ų61.551%0.50933%0.331SS..Hα-helixtrans-65.2-40.7172.717863.4000112S242 A243 V244 N249 K250S242-H246 WeakPolarHBondContact O-CB 3.31Å; S242-H246 PolarHBondContact O-N 3.46Å; A243-H246 WeakPolarHBondContact O-CB 3.4Å; A243-H246 PolarHBondContact O-N 2.78Å; V244-H246 VanDerWaalsContact C-N 3.31Å; V244-H246 PolarHBondContact O-N 3.49Å; H246-N249 PolarHBondContact O-N 3.35Å; H246-K250 WeakPolarHBondContact NE2-CE 3.46Å; H246-K250 PolarHBondContact O-N 2.94Å
247E96.3Very high95.6Very high94 Ų9458.6 Ų58.644%0.43932%0.315SS..Hα-helixtrans-63.3-47.9175-59.4-51.1121.900112A243 V244 N249 K250A243-E247 PolarHBondContact O-N 2.82Å; A243-E247 VanDerWaalsContact O-N 3.16Å; V244-E247 PolarHBondContact O-N 2.84Å; E247-N249 VanDerWaalsContact C-N 3.27Å; E247-N249 PolarHBondContact O-N 2.94Å; E247-K250 WeakPolarHBondContact O-CB 3.36Å; E247-K250 PolarHBondContact O-N 2.78Å; E247-K250 WeakPolarHBondContact OE1-CE 3.09Å; E247-K250 IonicContact OE1-NZ 2.79Å; E247-K250 PolarHBondContact OE1-NZ 3.38Å; E247-K250 WeakPolarHBondContact OE2-CE 3.25Å; E247-K250 IonicContact OE2-NZ 3.99Å; E247-K250 PolarHBondContact OE2-NZ 3.48Å
248W95.6Very high95.8Very high22 Ų2256.8 Ų56.88%0.08331%0.307CS..Hα-helixtrans-58.2-38.3177.2-62.5-28.8000112.8V181 V235 I240 V244 L245 K250 E251 Q252 T254V181-W248 HydrophobicContact CB-CZ3 4.09Å; V181-W248 HydrophobicContact CG1-CH2 3.75Å; V181-W248 HydrophobicContact CG1-CZ3 3.77Å; V181-W248 HydrophobicContact CG2-CD2 4.45Å; V181-W248 HydrophobicContact CG2-CE3 3.98Å; V181-W248 HydrophobicContact CG2-CH2 4.38Å; V181-W248 HydrophobicContact CG2-CZ3 3.96Å; V235-W248 HydrophobicContact CG1-CH2 4.42Å; V235-W248 HydrophobicContact CG1-CZ2 4.39Å; V235-W248 HydrophobicContact CG2-CH2 4.42Å; I240-W248 HydrophobicContact CG1-CH2 4.47Å; V244-W248 HydrophobicContact CG1-CD2 4.01Å; V244-W248 VanDerWaalsContact CG1-CE2 3.45Å; V244-W248 HydrophobicContact CG1-CE3 4.28Å; V244-W248 HydrophobicContact CG1-CH2 3.56Å; V244-W248 HydrophobicContact CG1-CZ2 3.23Å; V244-W248 HydrophobicContact CG1-CZ3 4.07Å; V244-W248 PolarHBondContact O-N 3.22Å; V244-W248 VanDerWaalsContact O-N 3.11Å; L245-W248 HydrophobicContact CD1-CE3 4.02Å; W248-K250 PolarHBondContact O-N 3.18Å; W248-E251 PolarHBondContact O-N 3.48Å; W248-Q252 PolarHBondContact O-N 2.91Å; W248-T254 HydrophobicContact CB-CG2 4.13Å; W248-T254 HydrophobicContact CE3-CG2 4.02Å
249N96.4Very high96Very high55 Ų5552.7 Ų52.729%0.29428%0.278SS..Hα-helixtrans-70.1-5.5176.6-77.5-66.1000114.7L245 H246 E247 T254L245-N249 PolarHBondContact O-N 2.82Å; L245-N249 VanDerWaalsContact O-N 3.15Å; L245-N249 PolarHBondContact O-ND2 3.47Å; H246-N249 PolarHBondContact O-N 3.35Å; E247-N249 VanDerWaalsContact C-N 3.27Å; E247-N249 PolarHBondContact O-N 2.94Å; N249-T254 PolarHBondContact OD1-N 3.03Å
250K96.2Very high96.1Very high125 Ų12547.6 Ų47.654%0.54326%0.257SS..Hα-helixtrans-82.8-27.2167.8-59.9174.2-167.41710112.3H246 E247 W248H246-K250 WeakPolarHBondContact NE2-CE 3.46Å; H246-K250 PolarHBondContact O-N 2.94Å; E247-K250 WeakPolarHBondContact O-CB 3.36Å; E247-K250 PolarHBondContact O-N 2.78Å; E247-K250 WeakPolarHBondContact OE1-CE 3.09Å; E247-K250 IonicContact OE1-NZ 2.79Å; E247-K250 PolarHBondContact OE1-NZ 3.38Å; E247-K250 WeakPolarHBondContact OE2-CE 3.25Å; E247-K250 IonicContact OE2-NZ 3.99Å; E247-K250 PolarHBondContact OE2-NZ 3.48Å; W248-K250 PolarHBondContact O-N 3.18Å
251E92.1Very high96Very high159 Ų15947.4 Ų47.474%0.74326%0.257SS*.Hα-helixtrans-85-55.2177.9-62.6169170.700109.6W248W248-E251 PolarHBondContact O-N 3.48Å
252Q92.5Very high95.7Very high79 Ų7950.5 Ų50.537%0.36926%0.261SS..SBendtrans-156.3146.2178.9-169.2173.5-12.200111.1N179 W248 T254N179-Q252 PolarHBondContact ND2-OE1 2.85Å; N179-Q252 PolarHBondContact OD1-NE2 2.86Å; N179-Q252 PolarHBondContact OD1-OE1 3.33Å; W248-Q252 PolarHBondContact O-N 2.91Å; Q252-T254 PolarHBondContact O-N 2.96Å; Q252-T254 VanDerWaalsContact O-N 3.13Å; Q252-T254 PolarHBondContact O-OG1 2.85Å
253P96.6Very high95.2Very high64 Ų6451.9 Ų51.942%0.41627%0.268SS..  trans-47.3122.9172.2-30.437.1000111.8H178 N179H178-P253 CarbonylContact C-O 3.59Å; H178-P253 WeakPolarHBondContact CA-O 3.02Å; N179-P253 PolarHBondContact N-O 3.44Å
254T97.8Very high94.9Very high5 Ų552.4 Ų52.43%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-125.8130.9-169.5-66.70000110.6V181 L245 W248 N249 Q252 N270V181-T254 HydrophobicContact CG2-CG2 3.8Å; L245-T254 HydrophobicContact CD1-CG2 3.84Å; W248-T254 HydrophobicContact CB-CG2 4.13Å; W248-T254 HydrophobicContact CE3-CG2 4.02Å; N249-T254 PolarHBondContact OD1-N 3.03Å; Q252-T254 PolarHBondContact O-N 2.96Å; Q252-T254 VanDerWaalsContact O-N 3.13Å; Q252-T254 PolarHBondContact O-OG1 2.85Å; T254-N270 PolarHBondContact O-ND2 3.03Å
255L97.4Very high94.5Very high1 Ų157.8 Ų57.81%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-107.4147166.277.685.6000110.3I171 N175 H178 N179 V180 V181 I257 N270 Y272I171-L255 HydrophobicContact CG2-CD1 4.4Å; N175-L255 HydrophobicContact CB-CD2 3.45Å; N175-L255 VanDerWaalsContact CB-CD2 3.45Å; H178-L255 HydrophobicContact CB-CB 4.49Å; H178-L255 HydrophobicContact CB-CD2 4.01Å; H178-L255 HydrophobicContact CB-CG 4.37Å; N179-L255 PolarHBondContact O-N 3.02Å; V180-L255 HydrophobicContact CB-CD1 4.39Å; V180-L255 HydrophobicContact CG1-CD1 4Å; V180-L255 HydrophobicContact CG2-CD1 4.2Å; V180-L255 HydrophobicContact CG2-CD2 4.28Å; V180-L255 HydrophobicContact CG2-CG 4.16Å; V181-L255 PolarHBondContact N-O 3.49Å; L255-I257 HydrophobicContact CD1-CD1 3.72Å; L255-I257 HydrophobicContact CD1-CG1 3.53Å; L255-N270 WeakPolarHBondContact CA-O 3.33Å; L255-N270 HydrophobicContact CB-CB 4.45Å; L255-Y272 HydrophobicContact CB-CE2 4.41Å
256A98.3Very high94.2Very high0 Ų060.2 Ų60.20%030%0.303CS..EExtended strand (participates in β ladder)trans-121.5138.2-179.800000110.5V181 I240 N270 V271 Y272V181-A256 CarbonylContact O-C 3.59Å; V181-A256 VanDerWaalsContact O-CA 3.26Å; V181-A256 WeakPolarHBondContact O-CA 3.39Å; I240-A256 HydrophobicContact CD1-CB 4.24Å; I240-A256 HydrophobicContact CG2-CB 3.8Å; A256-N270 PolarHBondContact N-O 3.38Å; A256-V271 HydrophobicContact CB-CG2 4.09Å; A256-V271 CarbonylContact O-C 3.5Å; A256-V271 WeakPolarHBondContact O-CA 3.45Å; A256-Y272 PolarHBondContact O-N 3.1Å
257I98.6Very high94.1Very high0 Ų059.5 Ų59.50%030%0.299CS..EExtended strand (participates in β ladder)trans-124.7128179.4-52.5-172.9000109.6I168 I171 I172 V180 V181 G183 L255 P259 Y272 V274I168-I257 HydrophobicContact CD1-CG2 4.47Å; I168-I257 HydrophobicContact CG1-CG2 4.11Å; I168-I257 HydrophobicContact CG2-CD1 3.84Å; I168-I257 HydrophobicContact CG2-CG2 4.34Å; I171-I257 HydrophobicContact CB-CD1 4.44Å; I171-I257 HydrophobicContact CG2-CD1 3.97Å; I172-I257 HydrophobicContact CD1-CD1 4.06Å; I172-I257 HydrophobicContact CG1-CD1 3.8Å; V180-I257 HydrophobicContact CG1-CD1 4.33Å; V181-I257 PolarHBondContact O-N 3.38Å; G183-I257 PolarHBondContact N-O 2.91Å; L255-I257 HydrophobicContact CD1-CD1 3.72Å; L255-I257 HydrophobicContact CD1-CG1 3.53Å; I257-P259 VanDerWaalsContact O-CD 3.26Å; I257-P259 WeakPolarHBondContact O-CD 3.09Å; I257-Y272 WeakPolarHBondContact CA-O 3.06Å; I257-V274 HydrophobicContact CG2-CG2 4.08Å
258L98.2Very high94Very high14 Ų1457.9 Ų57.97%0.07329%0.292CS..EExtended strand (participates in β ladder)trans-111.289.3175.3-70.4169.1000108.8Q237 I240 T260 L264 V271 Y272 V273 V274Q237-L258 HydrophobicContact CB-CD2 3.89Å; I240-L258 HydrophobicContact CD1-CD2 4.03Å; L258-T260 HydrophobicContact CB-CG2 4.49Å; L258-T260 PolarHBondContact O-N 2.94Å; L258-T260 VanDerWaalsContact O-N 3.08Å; L258-L264 HydrophobicContact CD1-CD1 4.15Å; L258-V271 HydrophobicContact CD1-CG1 4.13Å; L258-Y272 PolarHBondContact N-O 2.95Å; L258-V273 HydrophobicContact CB-CG2 4.4Å; L258-V273 HydrophobicContact CD1-CG2 4.31Å; L258-V274 PolarHBondContact O-N 3.18Å
259P97.8Very high93.9Very high2 Ų261.7 Ų61.71%0.01332%0.319CS..EExtended strand (participates in β ladder)trans-74.691.3175.730.4-34.6000110.4I168 I182 I184 K189 L192 I257 V274 Y276I168-P259 HydrophobicContact CD1-CB 3.93Å; I182-P259 HydrophobicContact CG2-CG 4.02Å; I184-P259 HydrophobicContact CG2-CG 3.59Å; K189-P259 HydrophobicContact CD-CG 4.13Å; K189-P259 WeakPolarHBondContact CE-O 3.27Å; L192-P259 HydrophobicContact CD2-CB 3.89Å; L192-P259 HydrophobicContact CD2-CG 4.05Å; I257-P259 VanDerWaalsContact O-CD 3.26Å; I257-P259 WeakPolarHBondContact O-CD 3.09Å; P259-V274 CarbonylContact C-O 3.57Å; P259-V274 WeakPolarHBondContact CA-O 3.14Å; P259-Y276 HydrophobicContact CB-CG 4.2Å
260T95.7Very high93.9Very high13 Ų1360.9 Ų60.98%0.0831%0.314CS..  trans-153.6144.3-176.3-172.50000113.3L258 R262 L264 V273 V274 P275 Y276L258-T260 HydrophobicContact CB-CG2 4.49Å; L258-T260 PolarHBondContact O-N 2.94Å; L258-T260 VanDerWaalsContact O-N 3.08Å; T260-R262 VanDerWaalsContact C-N 3.3Å; T260-R262 HydrophobicContact CG2-CB 4.37Å; T260-R262 PolarHBondContact OG1-N 3.12Å; T260-R262 VanDerWaalsContact OG1-N 3.17Å; T260-L264 HydrophobicContact CG2-CD1 3.81Å; T260-L264 HydrophobicContact CG2-CG 4.36Å; T260-V273 HydrophobicContact CG2-CG1 4.32Å; T260-V274 PolarHBondContact N-O 2.99Å; T260-P275 WeakPolarHBondContact O-CA 3.47Å; T260-Y276 CarbonylContact C-O 3.54Å; T260-Y276 WeakPolarHBondContact CA-O 3.48Å; T260-Y276 PolarHBondContact N-O 2.72Å
261S93.1Very high94Very high6 Ų655.1 Ų55.14%0.04229%0.29CS..SBendtrans-83.80.8168.457.10000113.9N151 R156 Y276 S277N151-S261 VanDerWaalsContact OD1-CB 3.26Å; N151-S261 WeakPolarHBondContact OD1-CB 3.28Å; N151-S261 PolarHBondContact OD1-OG 2.96Å; R156-S261 PolarHBondContact NH1-O 3.14Å; R156-S261 PolarHBondContact NH2-O 2.95Å; S261-Y276 PolarHBondContact N-O 2.82Å; S261-Y276 VanDerWaalsContact N-O 3.15Å; S261-S277 WeakPolarHBondContact CB-OG 3.37Å; S261-S277 WeakPolarHBondContact OG-CB 3.11Å; S261-S277 PolarHBondContact OG-OG 3.19Å
262R89.6Confident94.2Very high118 Ų11851 Ų5145%0.44527%0.268SS..SBendtrans-69.5134.9171.9-65-174.6-178.6-171.42.4109.3Y185 T260 L264Y185-R262 PolarHBondContact OH-NE 2.75Å; T260-R262 VanDerWaalsContact C-N 3.3Å; T260-R262 HydrophobicContact CG2-CB 4.37Å; T260-R262 PolarHBondContact OG1-N 3.12Å; T260-R262 VanDerWaalsContact OG1-N 3.17Å; R262-L264 VanDerWaalsContact C-N 3.34Å; R262-L264 HydrophobicContact CB-CG 4.43Å; R262-L264 PolarHBondContact O-N 3.36Å
263P84.9Confident94.5Very high104 Ų10449.3 Ų49.368%0.67526%0.263SS*.  trans-7387.3-178.529.9-34.1000110.5
264L88.3Confident94.5Very high77 Ų7746.5 Ų46.540%0.40325%0.245SC..PPolyproline II helixtrans-101132.4176.4-58.5-178000110.2L258 T260 R262 V273L258-L264 HydrophobicContact CD1-CD1 4.15Å; T260-L264 HydrophobicContact CG2-CD1 3.81Å; T260-L264 HydrophobicContact CG2-CG 4.36Å; R262-L264 VanDerWaalsContact C-N 3.34Å; R262-L264 HydrophobicContact CB-CG 4.43Å; R262-L264 PolarHBondContact O-N 3.36Å; L264-V273 HydrophobicContact CB-CG1 4.13Å; L264-V273 HydrophobicContact CB-CG2 3.92Å
265I87.6Confident94.4Very high163 Ų16348.5 Ų48.584%0.83626%0.258SS*.PPolyproline II helixtrans-86130.1169.1-59.7174.8000107.3
266S90.4Very high94.5Very high53 Ų5348.7 Ų48.737%0.37126%0.259SS..PPolyproline II helixtrans-68.1134.3174179.90000111.1H268 V271S266-H268 PolarHBondContact OG-N 3.26Å; S266-H268 PolarHBondContact OG-O 3.33Å; S266-V271 WeakPolarHBondContact CB-O 3.19Å; S266-V271 PolarHBondContact OG-O 2.84Å
267F92Very high94.4Very high96 Ų9648.8 Ų48.842%0.42126%0.259SS..SBendtrans-96.7-3.6179.861.8-99.3000113.6I240 S242 L245 V271I240-F267 HydrophobicContact CG2-CZ 4.19Å; I240-F267 WeakPolarHBondContact O-CE1 3.46Å; I240-F267 WeakPolarHBondContact O-CZ 3.47Å; S242-F267 VanDerWaalsContact N-CE2 3.32Å; L245-F267 HydrophobicContact CD2-CE2 4.46Å; F267-V271 HydrophobicContact CE1-CG1 4.22Å; F267-V271 HydrophobicContact CE1-CG2 4.34Å; F267-V271 HydrophobicContact CE2-CG2 3.88Å; F267-V271 HydrophobicContact CZ-CG1 4.42Å; F267-V271 HydrophobicContact CZ-CG2 3.77Å
268H94.5Very high94.4Very high60 Ų6049 Ų4928%0.27826%0.26SS..SBendtrans-157.7140.6-174.7-178.1-90.6000110.5L245 S266 N270 V271L245-H268 HydrophobicContact CD2-CB 4.17Å; L245-H268 WeakPolarHBondContact CD2-ND1 3.45Å; S266-H268 PolarHBondContact OG-N 3.26Å; S266-H268 PolarHBondContact OG-O 3.33Å; H268-N270 VanDerWaalsContact C-N 3.27Å; H268-N270 PolarHBondContact ND1-N 3.08Å; H268-N270 VanDerWaalsContact ND1-N 3.2Å; H268-N270 PolarHBondContact O-N 2.91Å; H268-N270 VanDerWaalsContact O-N 3.14Å; H268-V271 HydrophobicContact CB-CB 4.48Å; H268-V271 HydrophobicContact CB-CG2 3.87Å; H268-V271 WeakPolarHBondContact O-CB 3.4Å; H268-V271 PolarHBondContact O-N 2.82Å
269P94.2Very high94.3Very high102 Ų10249.4 Ų49.466%0.66226%0.262SS*.THydrogen-bonded Turntrans-54.2-37.2-175.119.2-33.4000114.5V271P269-V271 PolarHBondContact O-N 3.25Å
270N96Very high94.4Very high37 Ų3749.4 Ų49.420%0.19826%0.262CS..THydrogen-bonded Turntrans-80.75.5178.8-59.916.9000114.1T254 L255 A256 H268T254-N270 PolarHBondContact O-ND2 3.03Å; L255-N270 WeakPolarHBondContact CA-O 3.33Å; L255-N270 HydrophobicContact CB-CB 4.45Å; A256-N270 PolarHBondContact N-O 3.38Å; H268-N270 VanDerWaalsContact C-N 3.27Å; H268-N270 PolarHBondContact ND1-N 3.08Å; H268-N270 VanDerWaalsContact ND1-N 3.2Å; H268-N270 PolarHBondContact O-N 2.91Å; H268-N270 VanDerWaalsContact O-N 3.14Å
271V97.5Very high94.4Very high4 Ų449.2 Ų49.22%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-103.7112.4176.7178.20000109.2L245 A256 L258 S266 F267 H268 P269L245-V271 HydrophobicContact CD2-CG2 3.51Å; A256-V271 HydrophobicContact CB-CG2 4.09Å; A256-V271 CarbonylContact O-C 3.5Å; A256-V271 WeakPolarHBondContact O-CA 3.45Å; L258-V271 HydrophobicContact CD1-CG1 4.13Å; S266-V271 WeakPolarHBondContact CB-O 3.19Å; S266-V271 PolarHBondContact OG-O 2.84Å; F267-V271 HydrophobicContact CE1-CG1 4.22Å; F267-V271 HydrophobicContact CE1-CG2 4.34Å; F267-V271 HydrophobicContact CE2-CG2 3.88Å; F267-V271 HydrophobicContact CZ-CG1 4.42Å; F267-V271 HydrophobicContact CZ-CG2 3.77Å; H268-V271 HydrophobicContact CB-CB 4.48Å; H268-V271 HydrophobicContact CB-CG2 3.87Å; H268-V271 WeakPolarHBondContact O-CB 3.4Å; H268-V271 PolarHBondContact O-N 2.82Å; P269-V271 PolarHBondContact O-N 3.25Å
272Y97.7Very high94.5Very high72 Ų7250 Ų5028%0.28226%0.264SS..EExtended strand (participates in β ladder)trans-104.9116.1-177.3-63-91.2000110.8I171 L255 A256 I257 L258I171-Y272 HydrophobicContact CD1-CD1 3.89Å; I171-Y272 HydrophobicContact CD1-CG 4.06Å; I171-Y272 HydrophobicContact CG1-CD1 4.1Å; I171-Y272 HydrophobicContact CG1-CE1 4.39Å; I171-Y272 HydrophobicContact CG1-CG 4.46Å; I171-Y272 HydrophobicContact CG2-CD1 4.03Å; I171-Y272 HydrophobicContact CG2-CD2 3.64Å; I171-Y272 HydrophobicContact CG2-CE1 4.14Å; I171-Y272 HydrophobicContact CG2-CE2 3.77Å; I171-Y272 HydrophobicContact CG2-CG 3.78Å; L255-Y272 HydrophobicContact CB-CE2 4.41Å; A256-Y272 PolarHBondContact O-N 3.1Å; I257-Y272 WeakPolarHBondContact CA-O 3.06Å; L258-Y272 PolarHBondContact N-O 2.95Å
273V97.4Very high94.8Very high45 Ų4549.6 Ų49.627%0.27327%0.267SS..EExtended strand (participates in β ladder)trans-89.5119.3168.6-177.60000107.7L258 T260 L264L258-V273 HydrophobicContact CB-CG2 4.4Å; L258-V273 HydrophobicContact CD1-CG2 4.31Å; T260-V273 HydrophobicContact CG2-CG1 4.32Å; L264-V273 HydrophobicContact CB-CG1 4.13Å; L264-V273 HydrophobicContact CB-CG2 3.92Å
274V97.6Very high95.4Very high5 Ų546.6 Ų46.63%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-119.1129.5-179.2-173.80000109.1A164 Q167 I168 I171 I257 L258 P259 T260 Y276A164-V274 HydrophobicContact CB-CG1 4.36Å; Q167-V274 HydrophobicContact CB-CG1 4.02Å; I168-V274 HydrophobicContact CD1-CB 4.46Å; I168-V274 HydrophobicContact CD1-CG1 4.4Å; I168-V274 HydrophobicContact CG1-CB 4.05Å; I168-V274 HydrophobicContact CG1-CG1 3.93Å; I168-V274 HydrophobicContact CG1-CG2 4.02Å; I171-V274 HydrophobicContact CD1-CG2 3.68Å; I257-V274 HydrophobicContact CG2-CG2 4.08Å; L258-V274 PolarHBondContact O-N 3.18Å; P259-V274 CarbonylContact C-O 3.57Å; P259-V274 WeakPolarHBondContact CA-O 3.14Å; T260-V274 PolarHBondContact N-O 2.99Å; V274-Y276 PolarHBondContact O-N 2.88Å
275P96.6Very high95.8Very high47 Ų4742.9 Ų42.931%0.30522%0.224SC..  trans-7646.8-173.431.4-36.1000114.3L158 P159 T260L158-P275 HydrophobicContact CD2-CB 3.97Å; P159-P275 WeakPolarHBondContact CD-O 3.38Å; P159-P275 HydrophobicContact CG-CB 4.4Å; P159-P275 HydrophobicContact CG-CG 3.99Å; P159-P275 WeakPolarHBondContact CG-O 3.45Å; T260-P275 WeakPolarHBondContact O-CA 3.47Å
276Y97.8Very high96.2Very high5 Ų537.3 Ų37.32%0.0220%0.195CC..  trans-67.4135.8162.9-172-73.9000108.8R161 A164 K189 L192 P259 T260 S261 V274 D278R161-Y276 HydrophobicContact CB-CD2 4.4Å; R161-Y276 HydrophobicContact CB-CE2 3.78Å; R161-Y276 WeakPolarHBondContact CD-OH 3.36Å; R161-Y276 HydrophobicContact CG-CE1 4.18Å; R161-Y276 HydrophobicContact CG-CE2 4.13Å; A164-Y276 HydrophobicContact CB-CD2 3.84Å; A164-Y276 HydrophobicContact CB-CG 4.19Å; K189-Y276 HydrophobicContact CD-CD1 4.37Å; K189-Y276 HydrophobicContact CD-CE1 4.39Å; K189-Y276 HydrophobicContact CG-CD1 4.25Å; K189-Y276 HydrophobicContact CG-CE1 3.77Å; L192-Y276 HydrophobicContact CB-CE2 3.99Å; L192-Y276 HydrophobicContact CD1-CD2 4.48Å; L192-Y276 HydrophobicContact CD1-CE2 4.26Å; L192-Y276 HydrophobicContact CD2-CD2 4.03Å; L192-Y276 HydrophobicContact CD2-CE2 4.03Å; L192-Y276 HydrophobicContact CD2-CG 4.37Å; L192-Y276 HydrophobicContact CG-CE2 4.32Å; P259-Y276 HydrophobicContact CB-CG 4.2Å; T260-Y276 CarbonylContact C-O 3.54Å; T260-Y276 WeakPolarHBondContact CA-O 3.48Å; T260-Y276 PolarHBondContact N-O 2.72Å; S261-Y276 PolarHBondContact N-O 2.82Å; S261-Y276 VanDerWaalsContact N-O 3.15Å; V274-Y276 PolarHBondContact O-N 2.88Å; Y276-D278 WeakPolarHBondContact CE1-OD1 3.48Å
277S97.4Very high96.4Very high2 Ų238.1 Ų38.11%0.01420%0.195CC..  trans-143.5145177.5-156.70000112.3R125 N151 R161 S261 H279R125-S277 WeakPolarHBondContact CD-O 3.44Å; R125-S277 PolarHBondContact NH1-O 3.41Å; N151-S277 PolarHBondContact ND2-OG 2.74Å; R161-S277 WeakPolarHBondContact CD-O 3.43Å; R161-S277 VanDerWaalsContact CG-O 3.31Å; R161-S277 WeakPolarHBondContact CG-O 3.34Å; S261-S277 WeakPolarHBondContact CB-OG 3.37Å; S261-S277 WeakPolarHBondContact OG-CB 3.11Å; S261-S277 PolarHBondContact OG-OG 3.19Å; S277-H279 PolarHBondContact OG-N 2.86Å; S277-H279 PolarHBondContact OG-O 3.29Å
278D97.6Very high96.6Very high4 Ų433.5 Ų33.52%0.02117%0.174CC..SBendtrans-105.49.7170.8-59.2-56.1000112H102 R125 R161 K189 Y276H102-D278 PolarHBondContact ND1-O 2.86Å; H102-D278 WeakPolarHBondContact O-CB 3.48Å; R125-D278 WeakPolarHBondContact CB-O 3.35Å; R161-D278 WeakPolarHBondContact CD-OD1 3.13Å; R161-D278 IonicContact NH1-OD1 2.73Å; K189-D278 WeakPolarHBondContact CE-OD2 3.36Å; K189-D278 WeakPolarHBondContact CG-OD2 3.42Å; K189-D278 IonicContact NZ-OD2 3.71Å; K189-D278 PolarHBondContact NZ-OD2 2.84Å; Y276-D278 WeakPolarHBondContact CE1-OD1 3.48Å
279H97.6Very high96.7Very high22 Ų2230.7 Ų30.710%0.10216%0.161CC..SBendtrans-111.1154167.3-49.6-101.8000109.3H102 D123 F124 R125 D148 T150 N151 S277H102-H279 AromaticContact CE1-CE1 3.52Å; H102-H279 AromaticContact CE1-ND1 3.95Å; H102-H279 AromaticContact CE1-NE2 3.69Å; D123-H279 IonicContact OD2-CE1 3.69Å; D123-H279 PolarHBondContact OD2-CE1 2.65Å; D123-H279 IonicContact OD2-ND1 3.73Å; F124-H279 CarbonylContact O-C 3.55Å; F124-H279 WeakPolarHBondContact O-CA 3.03Å; R125-H279 WeakPolarHBondContact CD-O 3.33Å; D148-H279 IonicContact OD1-ND1 3.63Å; D148-H279 IonicContact OD2-CG 3.6Å; D148-H279 IonicContact OD2-ND1 2.76Å; D148-H279 PolarHBondContact OD2-ND1 3.12Å; T150-H279 HydrophobicContact CG2-CB 4.4Å; N151-H279 WeakPolarHBondContact ND2-CB 3.39Å; N151-H279 PolarHBondContact ND2-O 3.39Å; S277-H279 PolarHBondContact OG-N 2.86Å; S277-H279 PolarHBondContact OG-O 3.29Å
280S97.9Very high96.6Very high2 Ų228.6 Ų28.61%0.01415%0.149CC..  trans-55.8141.1174.5-57.40000112F124 R125 Y126 N151 E284 L285F124-S280 WeakPolarHBondContact CE1-OG 3.12Å; F124-S280 WeakPolarHBondContact CZ-OG 3.38Å; F124-S280 PolarHBondContact O-N 3.28Å; F124-S280 PolarHBondContact O-OG 2.79Å; R125-S280 WeakPolarHBondContact CA-OG 3.4Å; Y126-S280 PolarHBondContact N-OG 3.11Å; N151-S280 WeakPolarHBondContact CB-O 3.32Å; N151-S280 PolarHBondContact ND2-O 2.85Å; S280-E284 WeakPolarHBondContact CA-OE2 3.47Å; S280-L285 VanDerWaalsContact CB-CD2 3.46Å
281S96.9Very high96.5Very high10 Ų1029.3 Ų29.37%0.0716%0.16CC..  trans-76.1166.4164.371.90000111.8Q283 E284 L285S281-Q283 VanDerWaalsContact C-N 3.34Å; S281-Q283 PolarHBondContact O-N 2.89Å; S281-E284 PolarHBondContact N-OE2 3.48Å; S281-E284 WeakPolarHBondContact O-CB 3.18Å; S281-E284 PolarHBondContact O-N 2.96Å; S281-E284 VanDerWaalsContact O-N 3.12Å; S281-E284 WeakPolarHBondContact OG-CB 3.32Å; S281-E284 VanDerWaalsContact OG-CD 3.32Å; S281-E284 VanDerWaalsContact OG-CG 3.3Å; S281-E284 WeakPolarHBondContact OG-CG 3.09Å; S281-E284 PolarHBondContact OG-N 2.95Å; S281-E284 PolarHBondContact OG-OE2 3.34Å; S281-L285 WeakPolarHBondContact O-CG 3.48Å; S281-L285 PolarHBondContact O-N 2.89Å
282Y95.4Very high96.3Very high23 Ų2330.3 Ų30.39%0.0917%0.166CC..Hα-helixtrans-57.1-42.3-180-177.1-93.1000113.4P154 L285 E286 P306 L309P154-Y282 HydrophobicContact CB-CD1 3.85Å; P154-Y282 HydrophobicContact CB-CD2 4.35Å; P154-Y282 HydrophobicContact CB-CE1 3.65Å; P154-Y282 HydrophobicContact CB-CE2 4.19Å; P154-Y282 HydrophobicContact CB-CG 4.21Å; P154-Y282 HydrophobicContact CG-CE2 4.49Å; Y282-L285 WeakPolarHBondContact O-CB 3.42Å; Y282-L285 PolarHBondContact O-N 3.18Å; Y282-E286 HydrophobicContact CD1-CG 4.25Å; Y282-E286 HydrophobicContact CE1-CG 3.65Å; Y282-E286 WeakPolarHBondContact CE1-OE1 3.08Å; Y282-E286 WeakPolarHBondContact CE1-OE2 3.31Å; Y282-E286 PolarHBondContact O-N 2.9Å; Y282-E286 PolarHBondContact OH-OE1 3.46Å; Y282-P306 HydrophobicContact CE2-CG 4.5Å; Y282-L309 HydrophobicContact CE2-CG 4.46Å
283Q95.3Very high96Very high109 Ų10934.5 Ų34.551%0.50918%0.181SC..Hα-helixtrans-65.3-43.4174.9-171.967.765.100111.7S281 L285 E286 D287S281-Q283 VanDerWaalsContact C-N 3.34Å; S281-Q283 PolarHBondContact O-N 2.89Å; Q283-L285 PolarHBondContact O-N 3.43Å; Q283-E286 PolarHBondContact O-N 2.89Å; Q283-D287 PolarHBondContact NE2-OD1 3.45Å; Q283-D287 WeakPolarHBondContact O-CB 3.25Å; Q283-D287 PolarHBondContact O-N 3.19Å
284E97.8Very high95.8Very high40 Ų4032.4 Ų32.419%0.18717%0.168CC..Hα-helixtrans-60.4-30.6176-74.3165.9175.300111.7R125 Y126 S280 S281 F288R125-E284 IonicContact CZ-OE1 3.56Å; R125-E284 IonicContact CZ-OE2 2.64Å; R125-E284 IonicContact NE-OE1 3.74Å; R125-E284 PolarHBondContact NE-OE1 3.43Å; R125-E284 IonicContact NE-OE2 2.69Å; R125-E284 PolarHBondContact NE-OE2 3.16Å; R125-E284 IonicContact NH2-OE1 2.94Å; R125-E284 PolarHBondContact NH2-OE1 2.78Å; R125-E284 IonicContact NH2-OE2 2.75Å; R125-E284 PolarHBondContact NH2-OE2 3.16Å; Y126-E284 HydrophobicContact CD1-CB 3.98Å; Y126-E284 HydrophobicContact CD1-CG 4.39Å; Y126-E284 WeakPolarHBondContact CD1-O 3.41Å; S280-E284 WeakPolarHBondContact CA-OE2 3.47Å; S281-E284 PolarHBondContact N-OE2 3.48Å; S281-E284 WeakPolarHBondContact O-CB 3.18Å; S281-E284 PolarHBondContact O-N 2.96Å; S281-E284 VanDerWaalsContact O-N 3.12Å; S281-E284 WeakPolarHBondContact OG-CB 3.32Å; S281-E284 VanDerWaalsContact OG-CD 3.32Å; S281-E284 VanDerWaalsContact OG-CG 3.3Å; S281-E284 WeakPolarHBondContact OG-CG 3.09Å; S281-E284 PolarHBondContact OG-N 2.95Å; S281-E284 PolarHBondContact OG-OE2 3.34Å; E284-F288 WeakPolarHBondContact O-CB 3.36Å; E284-F288 PolarHBondContact O-N 2.79Å
285L96.8Very high95.6Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-75.2-44.5172.1-66.4174000112.9F124 L147 D148 C152 S280 S281 Y282 Q283 F288 V289F124-L285 HydrophobicContact CE1-CD2 3.68Å; F124-L285 HydrophobicContact CZ-CD2 3.88Å; L147-L285 HydrophobicContact CD1-CD2 3.95Å; L147-L285 HydrophobicContact CD2-CD2 4.17Å; L147-L285 HydrophobicContact CG-CD2 4.1Å; D148-L285 VanDerWaalsContact O-CD2 3.3Å; D148-L285 WeakPolarHBondContact O-CD2 3.15Å; C152-L285 HydrophobicContact CB-CD1 3.94Å; S280-L285 VanDerWaalsContact CB-CD2 3.46Å; S281-L285 WeakPolarHBondContact O-CG 3.48Å; S281-L285 PolarHBondContact O-N 2.89Å; Y282-L285 WeakPolarHBondContact O-CB 3.42Å; Y282-L285 PolarHBondContact O-N 3.18Å; Q283-L285 PolarHBondContact O-N 3.43Å; L285-F288 PolarHBondContact O-N 3.42Å; L285-V289 WeakPolarHBondContact O-CB 3.34Å; L285-V289 WeakPolarHBondContact O-CG2 3.18Å; L285-V289 PolarHBondContact O-N 2.69Å
286E95.6Very high95.4Very high46 Ų4632.7 Ų32.722%0.21517%0.172CC..Hα-helixtrans-60.4-44.3176.7-79.4-168.4148.200111.8Y282 Q283 F288 S290 L309 L312Y282-E286 HydrophobicContact CD1-CG 4.25Å; Y282-E286 HydrophobicContact CE1-CG 3.65Å; Y282-E286 WeakPolarHBondContact CE1-OE1 3.08Å; Y282-E286 WeakPolarHBondContact CE1-OE2 3.31Å; Y282-E286 PolarHBondContact O-N 2.9Å; Y282-E286 PolarHBondContact OH-OE1 3.46Å; Q283-E286 PolarHBondContact O-N 2.89Å; E286-F288 PolarHBondContact O-N 2.95Å; E286-S290 WeakPolarHBondContact O-CB 3.11Å; E286-S290 PolarHBondContact O-N 3.11Å; E286-S290 PolarHBondContact O-OG 3.39Å; E286-L309 HydrophobicContact CB-CD2 4.42Å; E286-L309 HydrophobicContact CG-CD2 3.69Å; E286-L312 HydrophobicContact CB-CD1 4.41Å; E286-L312 HydrophobicContact CG-CD1 4.29Å
287D95.5Very high95.2Very high69 Ų6933.4 Ų33.437%0.36918%0.176SC..Hα-helixtrans-60.3-45.8177.9-66.5-3.5000111.2Y126 Q283 A291Y126-D287 HydrophobicContact CE1-CB 3.82Å; Q283-D287 PolarHBondContact NE2-OD1 3.45Å; Q283-D287 WeakPolarHBondContact O-CB 3.25Å; Q283-D287 PolarHBondContact O-N 3.19Å; D287-A291 WeakPolarHBondContact O-CB 3.44Å; D287-A291 PolarHBondContact O-N 2.89Å
288F96.4Very high95.1Very high0 Ų035.3 Ų35.30%019%0.187CC..Hα-helixtrans-66.9-46.5-179.5-175.6-119.5000112.6M108 L119 T121 F124 Y126 L131 L145 L147 E284 L285 E286 A291 L292M108-F288 HydrophobicContact SD-CZ 4.29Å; L119-F288 HydrophobicContact CD2-CZ 4.08Å; T121-F288 HydrophobicContact CG2-CE1 3.89Å; T121-F288 HydrophobicContact CG2-CZ 4.44Å; F124-F288 AromaticContact CE2-CD1 3.69Å; F124-F288 HydrophobicContact CE2-CD1 3.69Å; F124-F288 HydrophobicContact CE2-CD2 4.45Å; F124-F288 AromaticContact CE2-CE1 3.54Å; F124-F288 HydrophobicContact CE2-CE1 3.54Å; F124-F288 HydrophobicContact CE2-CE2 4.32Å; F124-F288 HydrophobicContact CE2-CG 4.13Å; F124-F288 AromaticContact CE2-CZ 3.86Å; F124-F288 HydrophobicContact CE2-CZ 3.86Å; F124-F288 AromaticContact CZ-CD1 3.49Å; F124-F288 HydrophobicContact CZ-CD1 3.49Å; F124-F288 VanDerWaalsContact CZ-CD1 3.49Å; F124-F288 AromaticContact CZ-CE1 3.6Å; F124-F288 HydrophobicContact CZ-CE1 3.6Å; F124-F288 HydrophobicContact CZ-CG 4.2Å; F124-F288 HydrophobicContact CZ-CZ 4.38Å; Y126-F288 HydrophobicContact CD1-CB 4.31Å; Y126-F288 HydrophobicContact CD2-CB 3.82Å; Y126-F288 AromaticContact CD2-CD2 3.37Å; Y126-F288 HydrophobicContact CD2-CD2 3.37Å; Y126-F288 HydrophobicContact CD2-CE2 4.13Å; Y126-F288 AromaticContact CD2-CG 3.86Å; Y126-F288 HydrophobicContact CD2-CG 3.86Å; Y126-F288 HydrophobicContact CE2-CB 4.13Å; Y126-F288 AromaticContact CE2-CD2 3.62Å; Y126-F288 HydrophobicContact CE2-CD2 3.62Å; Y126-F288 HydrophobicContact CE2-CE2 4.48Å; Y126-F288 HydrophobicContact CE2-CG 4.31Å; Y126-F288 HydrophobicContact CG-CB 3.91Å; Y126-F288 HydrophobicContact CG-CD2 4.26Å; Y126-F288 HydrophobicContact CG-CG 4.32Å; L131-F288 HydrophobicContact CD2-CD2 4.13Å; L131-F288 HydrophobicContact CD2-CE2 4.24Å; L145-F288 HydrophobicContact CD1-CE1 4.32Å; L145-F288 HydrophobicContact CD2-CD1 4.44Å; L145-F288 HydrophobicContact CD2-CE1 4.27Å; L147-F288 HydrophobicContact CD1-CD1 4.14Å; L147-F288 HydrophobicContact CD1-CE1 4.36Å; E284-F288 WeakPolarHBondContact O-CB 3.36Å; E284-F288 PolarHBondContact O-N 2.79Å; L285-F288 PolarHBondContact O-N 3.42Å; E286-F288 PolarHBondContact O-N 2.95Å; F288-A291 PolarHBondContact O-N 2.87Å; F288-L292 HydrophobicContact CD1-CD1 4.2Å; F288-L292 HydrophobicContact CD2-CD1 4.12Å; F288-L292 HydrophobicContact CD2-CG 4.46Å; F288-L292 HydrophobicContact CE1-CD1 3.73Å; F288-L292 HydrophobicContact CE2-CD1 3.64Å; F288-L292 HydrophobicContact CE2-CG 4.28Å; F288-L292 HydrophobicContact CG-CD1 4.4Å; F288-L292 HydrophobicContact CZ-CD1 3.45Å; F288-L292 VanDerWaalsContact CZ-CD1 3.45Å; F288-L292 PolarHBondContact O-N 3.17Å
289V95.3Very high95Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-66-39176.9174.70000111L145 L147 L285 A291 R293 L297 L309 L312 L313L145-V289 HydrophobicContact CD2-CG2 4.13Å; L147-V289 HydrophobicContact CD1-CG2 4.33Å; L147-V289 HydrophobicContact CD2-CG2 4.04Å; L285-V289 WeakPolarHBondContact O-CB 3.34Å; L285-V289 WeakPolarHBondContact O-CG2 3.18Å; L285-V289 PolarHBondContact O-N 2.69Å; V289-A291 VanDerWaalsContact C-N 3.31Å; V289-A291 PolarHBondContact O-N 2.96Å; V289-R293 WeakPolarHBondContact O-CA 3.24Å; V289-R293 PolarHBondContact O-N 2.63Å; V289-L297 HydrophobicContact CG1-CD2 4.35Å; V289-L297 HydrophobicContact CG2-CD1 4.26Å; V289-L297 HydrophobicContact CG2-CD2 4.37Å; V289-L309 HydrophobicContact CB-CD2 4.41Å; V289-L309 HydrophobicContact CG2-CD2 4.29Å; V289-L312 HydrophobicContact CB-CD1 4.15Å; V289-L312 HydrophobicContact CG1-CB 4.1Å; V289-L312 HydrophobicContact CG1-CD1 3.97Å; V289-L313 HydrophobicContact CG1-CD2 4.23Å
290S93.7Very high94.9Very high58 Ų5835 Ų3541%0.40619%0.187SC..Hα-helixtrans-66.1-30.8176.7-62.20000113.2E286 R293E286-S290 WeakPolarHBondContact O-CB 3.11Å; E286-S290 PolarHBondContact O-N 3.11Å; E286-S290 PolarHBondContact O-OG 3.39Å; S290-R293 WeakPolarHBondContact O-CG 3.41Å
291A93.3Very high94.5Very high53 Ų5336.9 Ų36.944%0.43820%0.198SC..Hα-helixtrans-77.9-47.1176.100000112.6L131 D287 F288 V289L131-A291 HydrophobicContact CD1-CB 3.41Å; L131-A291 VanDerWaalsContact CD1-CB 3.41Å; L131-A291 HydrophobicContact CD2-CB 3.96Å; L131-A291 HydrophobicContact CG-CB 4.34Å; D287-A291 WeakPolarHBondContact O-CB 3.44Å; D287-A291 PolarHBondContact O-N 2.89Å; F288-A291 PolarHBondContact O-N 2.87Å; V289-A291 VanDerWaalsContact C-N 3.31Å; V289-A291 PolarHBondContact O-N 2.96Å
292L92.8Very high93.9Very high25 Ų2539.1 Ų39.113%0.13122%0.223CC..Hα-helixtrans-75-28.5-178.5-68.9180000113.7L119 L131 L145 F288L119-L292 HydrophobicContact CD2-CD1 3.63Å; L131-L292 HydrophobicContact CD2-CD2 3.8Å; L131-L292 HydrophobicContact CD2-CG 4.05Å; L145-L292 HydrophobicContact CD2-CD1 4.19Å; F288-L292 HydrophobicContact CD1-CD1 4.2Å; F288-L292 HydrophobicContact CD2-CD1 4.12Å; F288-L292 HydrophobicContact CD2-CG 4.46Å; F288-L292 HydrophobicContact CE1-CD1 3.73Å; F288-L292 HydrophobicContact CE2-CD1 3.64Å; F288-L292 HydrophobicContact CE2-CG 4.28Å; F288-L292 HydrophobicContact CG-CD1 4.4Å; F288-L292 HydrophobicContact CZ-CD1 3.45Å; F288-L292 VanDerWaalsContact CZ-CD1 3.45Å; F288-L292 PolarHBondContact O-N 3.17Å
293R92.2Very high92.8Very high160 Ų16043.3 Ų43.360%0.60426%0.256SS*.  trans48.248178.5-52.7-176.968.9-177.83.2114.1V289 S290V289-R293 WeakPolarHBondContact O-CA 3.24Å; V289-R293 PolarHBondContact O-N 2.63Å; S290-R293 WeakPolarHBondContact O-CG 3.41Å
294P93.3Very high91.7Very high0 Ų042.7 Ų42.70%026%0.262CS..  trans-65.7149.8-169.930.7-37.7000112.3I142 L145 S296 L297 L313 P314I142-P294 HydrophobicContact CB-CB 4.11Å; I142-P294 HydrophobicContact CG2-CB 3.99Å; I142-P294 CarbonylContact O-C 3.5Å; I142-P294 WeakPolarHBondContact O-CA 3.42Å; L145-P294 HydrophobicContact CB-CB 3.81Å; L145-P294 HydrophobicContact CB-CG 3.78Å; L145-P294 HydrophobicContact CD2-CG 3.96Å; P294-S296 PolarHBondContact O-N 3.46Å; P294-L297 HydrophobicContact CG-CD1 4.44Å; P294-L313 HydrophobicContact CG-CD2 4.04Å; P294-P314 VanDerWaalsContact O-CD 3.24Å; P294-P314 WeakPolarHBondContact O-CD 3.45Å
295S91.9Very high90.8Very high21 Ų2142.3 Ų42.315%0.14726%0.262CS..SBendtrans-67.7-18.8179.2-57.80000113.6I142 D143I142-S295 PolarHBondContact O-N 3.36Å; D143-S295 CarbonylContact O-C 3.49Å; D143-S295 WeakPolarHBondContact O-CB 3.3Å
296S92.8Very high89.8Confident38 Ų3844.2 Ų44.227%0.26627%0.274SS..  trans-154.1151.7178.1-171.40000111.2D143 L145 P294D143-S296 WeakPolarHBondContact O-CB 3.39Å; D143-S296 PolarHBondContact O-N 3.1Å; L145-S296 PolarHBondContact N-O 2.98Å; P294-S296 PolarHBondContact O-N 3.46Å
297L93.8Very high88.7Confident20 Ų2044.9 Ų44.911%0.10529%0.293CS..EExtended strand (participates in β ladder)trans-131.9129.1-177.6-164.564.7000110.5L145 L147 V289 P294 L305 L309 L313L145-L297 HydrophobicContact CB-CD1 3.73Å; L145-L297 HydrophobicContact CD2-CD1 3.72Å; L145-L297 HydrophobicContact CG-CD1 3.7Å; L145-L297 WeakPolarHBondContact O-CA 3.49Å; L147-L297 HydrophobicContact CB-CD1 4.02Å; L147-L297 HydrophobicContact CD2-CD1 4.15Å; L147-L297 HydrophobicContact CD2-CD2 4.35Å; V289-L297 HydrophobicContact CG1-CD2 4.35Å; V289-L297 HydrophobicContact CG2-CD1 4.26Å; V289-L297 HydrophobicContact CG2-CD2 4.37Å; P294-L297 HydrophobicContact CG-CD1 4.44Å; L297-L305 HydrophobicContact CB-CD1 4.27Å; L297-L305 HydrophobicContact CD2-CD1 3.72Å; L297-L305 HydrophobicContact CG-CD1 3.66Å; L297-L309 HydrophobicContact CD2-CB 3.92Å; L297-L309 HydrophobicContact CD2-CD1 4.49Å; L297-L313 HydrophobicContact CB-CD1 3.84Å; L297-L313 HydrophobicContact CB-CD2 4.02Å; L297-L313 HydrophobicContact CD2-CD2 4.39Å
298V94.6Very high87.9Confident41 Ų4143.1 Ų43.125%0.24829%0.291CS..EExtended strand (participates in β ladder)trans-127.7124.6-175-176.70000109.9I144 L145 Y146 L147 I300I144-V298 HydrophobicContact CG2-CG2 3.8Å; L145-V298 PolarHBondContact O-N 2.78Å; Y146-V298 WeakPolarHBondContact CA-O 3.39Å; Y146-V298 HydrophobicContact CD1-CB 3.8Å; Y146-V298 HydrophobicContact CD1-CG1 3.66Å; Y146-V298 HydrophobicContact CE1-CB 4.01Å; Y146-V298 HydrophobicContact CE1-CG1 3.61Å; Y146-V298 HydrophobicContact CE1-CG2 4.43Å; Y146-V298 HydrophobicContact CG-CB 4.19Å; L147-V298 PolarHBondContact N-O 2.99Å; V298-I300 PolarHBondContact O-N 3.22Å
299P95.5Very high87.2Confident19 Ų1943.1 Ų43.112%0.12329%0.291CS..EExtended strand (participates in β ladder)trans-67.9131.3176.324.8-30.8000111.5K6 N149 L305K6-P299 VanDerWaalsContact CE-O 3.29Å; K6-P299 WeakPolarHBondContact CE-O 3.42Å; K6-P299 PolarHBondContact NZ-O 2.9Å; N149-P299 VanDerWaalsContact OD1-CA 3.32Å; N149-P299 WeakPolarHBondContact OD1-CA 3.41Å; N149-P299 WeakPolarHBondContact OD1-CB 3.26Å; P299-L305 HydrophobicContact CB-CD1 4.49Å; P299-L305 HydrophobicContact CB-CD2 3.85Å; P299-L305 HydrophobicContact CB-CG 3.92Å; P299-L305 HydrophobicContact CG-CG 4.15Å
300I95.8Very high86.5Confident1 Ų146 Ų461%0.00531%0.312CS..SBendtrans-73.4-48.9166.3-69.6175.9000109.5N4 K6 Y120 G122 L147 N149 V298N4-I300 HydrophobicContact CB-CG2 4.2Å; K6-I300 WeakPolarHBondContact CE-O 3.16Å; K6-I300 PolarHBondContact NZ-O 2.84Å; Y120-I300 HydrophobicContact CD1-CD1 4.11Å; Y120-I300 HydrophobicContact CE1-CD1 3.69Å; Y120-I300 HydrophobicContact CE1-CG1 4.42Å; Y120-I300 HydrophobicContact CE2-CD1 4.31Å; Y120-I300 HydrophobicContact CE2-CG1 4.34Å; G122-I300 VanDerWaalsContact O-CD1 3.27Å; G122-I300 WeakPolarHBondContact O-CD1 3.44Å; L147-I300 WeakPolarHBondContact O-CB 3.34Å; L147-I300 PolarHBondContact O-N 3.48Å; N149-I300 PolarHBondContact OD1-N 2.89Å; V298-I300 PolarHBondContact O-N 3.22Å
301V90.6Very high85.9Confident41 Ų4147 Ų4725%0.24832%0.323CS..SBendtrans-93.2112.6-174-177.50000110.7N149N149-V301 PolarHBondContact ND2-O 2.73Å; N149-V301 PolarHBondContact OD1-N 3.33Å; N149-V301 PolarHBondContact OD1-O 3.38Å
302G83.8Confident85.4Confident57 Ų5747 Ų4759%0.58832%0.315SS*.SBendtrans75.3-141.2-178.200000113.4
303S72.7Confident85.1Confident112 Ų11247.3 Ų47.378%0.78332%0.317SS*.SBendtrans-137.4-1.5-165.1580000116.2
304C71.8Confident84.5Confident96 Ų9641.4 Ų41.465%0.64930%0.299SS*.  trans-140.6155-178.4590000112.5
305L78.1Confident83.3Confident32 Ų3250.8 Ų50.817%0.16834%0.343CS..  trans-122.5148.3171.5-66.7171.2000108.7N149 L297 P299N149-L305 HydrophobicContact CB-CD2 3.53Å; L297-L305 HydrophobicContact CB-CD1 4.27Å; L297-L305 HydrophobicContact CD2-CD1 3.72Å; L297-L305 HydrophobicContact CG-CD1 3.66Å; P299-L305 HydrophobicContact CB-CD1 4.49Å; P299-L305 HydrophobicContact CB-CD2 3.85Å; P299-L305 HydrophobicContact CB-CG 3.92Å; P299-L305 HydrophobicContact CG-CG 4.15Å
306P76.7Confident82.2Confident40 Ų4056 Ų5626%0.2636%0.363SS..  trans-60.2147.5170.5-20.132.5000111.5C152 Y282 G308 L309C152-P306 WeakPolarHBondContact O-CG 3.4Å; C152-P306 WeakPolarHBondContact SG-CD 3.33Å; Y282-P306 HydrophobicContact CE2-CG 4.5Å; P306-G308 PolarHBondContact O-N 2.86Å; P306-G308 VanDerWaalsContact O-N 3.07Å; P306-L309 PolarHBondContact O-N 3.31Å
307G72.4Confident81Confident60 Ų6064 Ų6462%0.61939%0.393SS*.Hα-helixtrans-60.1-20.9-179.100000114.9S310 A311G307-S310 PolarHBondContact O-N 2.97Å; G307-A311 PolarHBondContact O-N 3.1Å; G307-A311 VanDerWaalsContact O-N 3.09Å
308G78.9Confident80Confident32 Ų3268.4 Ų68.433%0.3341%0.408SS..Hα-helixtrans-58.8-57.8176.200000112.7P306 S310 A311P306-G308 PolarHBondContact O-N 2.86Å; P306-G308 VanDerWaalsContact O-N 3.07Å; G308-S310 VanDerWaalsContact C-N 3.28Å; G308-S310 PolarHBondContact O-N 2.93Å; G308-A311 WeakPolarHBondContact O-CB 3.22Å; G308-A311 PolarHBondContact O-N 2.91Å
309L81.2Confident79Confident0 Ų074.8 Ų74.80%044%0.435CS..Hα-helixtrans-59.2-39.1177.6-68.7-178.1000112.4L147 C152 Y282 E286 V289 L297 P306 A311 L312L147-L309 HydrophobicContact CD2-CD1 3.86Å; C152-L309 WeakPolarHBondContact SG-CD1 3.45Å; Y282-L309 HydrophobicContact CE2-CG 4.46Å; E286-L309 HydrophobicContact CB-CD2 4.42Å; E286-L309 HydrophobicContact CG-CD2 3.69Å; V289-L309 HydrophobicContact CB-CD2 4.41Å; V289-L309 HydrophobicContact CG2-CD2 4.29Å; L297-L309 HydrophobicContact CD2-CB 3.92Å; L297-L309 HydrophobicContact CD2-CD1 4.49Å; P306-L309 PolarHBondContact O-N 3.31Å; L309-A311 PolarHBondContact O-N 3.21Å; L309-L312 HydrophobicContact CD2-CD1 3.91Å; L309-L312 WeakPolarHBondContact O-CB 3.47Å; L309-L312 PolarHBondContact O-N 2.85Å; L309-L312 VanDerWaalsContact O-N 3.16Å
310S79.9Confident78.3Confident61 Ų6181.4 Ų81.443%0.42747%0.469SS..Hα-helixtrans-64.5-24.7177.1-57.30000113.4G307 G308G307-S310 PolarHBondContact O-N 2.97Å; G308-S310 VanDerWaalsContact C-N 3.28Å; G308-S310 PolarHBondContact O-N 2.93Å
311A81.4Confident77.9Confident77 Ų7782.8 Ų82.864%0.63648%0.478SS*.Hα-helixtrans-81-14.4176.500000113.7G307 G308 L309 L313G307-A311 PolarHBondContact O-N 3.1Å; G307-A311 VanDerWaalsContact O-N 3.09Å; G308-A311 WeakPolarHBondContact O-CB 3.22Å; G308-A311 PolarHBondContact O-N 2.91Å; L309-A311 PolarHBondContact O-N 3.21Å; A311-L313 VanDerWaalsContact C-N 3.27Å
312L83.8Confident78.1Confident55 Ų5587.6 Ų87.629%0.28850%0.497SS..THydrogen-bonded Turntrans-76.1-16.1174.1-56.6175.6000112.7E286 V289 L309E286-L312 HydrophobicContact CB-CD1 4.41Å; E286-L312 HydrophobicContact CG-CD1 4.29Å; V289-L312 HydrophobicContact CB-CD1 4.15Å; V289-L312 HydrophobicContact CG1-CB 4.1Å; V289-L312 HydrophobicContact CG1-CD1 3.97Å; L309-L312 HydrophobicContact CD2-CD1 3.91Å; L309-L312 WeakPolarHBondContact O-CB 3.47Å; L309-L312 PolarHBondContact O-N 2.85Å; L309-L312 VanDerWaalsContact O-N 3.16Å
313L85.1Confident78.7Confident31 Ų3186 Ų8616%0.16248%0.476CS..SBendtrans-75.1139.4-173.4-53.8-179000111.6V289 P294 L297 A311V289-L313 HydrophobicContact CG1-CD2 4.23Å; P294-L313 HydrophobicContact CG-CD2 4.04Å; L297-L313 HydrophobicContact CB-CD1 3.84Å; L297-L313 HydrophobicContact CB-CD2 4.02Å; L297-L313 HydrophobicContact CD2-CD2 4.39Å; A311-L313 VanDerWaalsContact C-N 3.27Å
314P79.6Confident79.8Confident35 Ų3581.4 Ų81.423%0.22744%0.444CS..  trans-64.2142.8176.929.3-34.5000110.7P294 K316P294-P314 VanDerWaalsContact O-CD 3.24Å; P294-P314 WeakPolarHBondContact O-CD 3.45Å; P314-K316 HydrophobicContact CB-CG 4.46Å; P314-K316 PolarHBondContact O-N 2.91Å
315H68.6Low81Confident198 Ų19881.8 Ų81.892%0.91744%0.436SS*.SBendtrans-73.953175.1-61-15.8000112.9
316K69.9Low81.8Confident130 Ų13081.4 Ų81.457%0.56544%0.436SS*.PPolyproline II helixtrans-102.3135.4170.6-69.6-179.7177.8178.20108.8P314P314-K316 HydrophobicContact CB-CG 4.46Å; P314-K316 PolarHBondContact O-N 2.91Å
317K67.3Low82.8Confident206 Ų20679.5 Ų79.590%0.89642%0.423SS*.PPolyproline II helixtrans-74.8133.4164.7-71.2-174.2174.5-175.70108.9
318R73.4Confident83.9Confident112 Ų11282 Ų8242%0.42341%0.414SS..PPolyproline II helixtrans-53.8139.3165.3177.4177.6179.9-1313.6108.8D10D10-R318 IonicContact OD2-CZ 3.73Å; D10-R318 IonicContact OD2-NH1 2.67Å; D10-R318 IonicContact OD2-NH2 2.8Å; D10-R318 PolarHBondContact OD2-NH2 3.2Å
319Q71.8Confident84.6Confident175 Ų17584.2 Ų84.282%0.81842%0.421SS*.PPolyproline II helixtrans-81.1140.7168.1-65.4-176-1.700109.3V321Q319-V321 PolarHBondContact O-N 3.26Å
320D80.8Confident85.2Confident159 Ų15985.6 Ų85.685%0.8543%0.426SS*.PPolyproline II helixtrans-64.9126179.3-64.4-46.6000110.7H322D320-H322 PolarHBondContact O-N 2.79Å
321V89.1Confident85.9Confident29 Ų2984.6 Ų84.618%0.17642%0.415CS..  trans-75.5111.3-176.6169.90000110D10 Y114 F115 Q319 V323D10-V321 HydrophobicContact CB-CB 4.14Å; D10-V321 HydrophobicContact CB-CG1 3.88Å; Y114-V321 HydrophobicContact CD2-CG1 3.99Å; Y114-V321 HydrophobicContact CE2-CG1 3.76Å; F115-V321 HydrophobicContact CB-CG1 3.78Å; F115-V321 HydrophobicContact CB-CG2 4.25Å; Q319-V321 PolarHBondContact O-N 3.26Å; V321-V323 PolarHBondContact O-N 3.32Å
322H93.4Very high86.4Confident142 Ų14288 Ų8866%0.65742%0.422SS*.  trans-81101.1173.4-173.886.1000110.6D320 P324D320-H322 PolarHBondContact O-N 2.79Å; H322-P324 VanDerWaalsContact O-CD 3.3Å; H322-P324 WeakPolarHBondContact O-CD 3.48Å
323V96.1Very high86.4Confident24 Ų2488.7 Ų88.715%0.14542%0.423CS..  trans-67.9118.4176.6-170.20000110.4D10 Y114 V321 V327 R328 M331D10-V323 HydrophobicContact CB-CG2 3.99Å; D10-V323 VanDerWaalsContact O-CG2 3.32Å; D10-V323 WeakPolarHBondContact O-CG2 3.41Å; Y114-V323 HydrophobicContact CE2-CB 4.39Å; Y114-V323 HydrophobicContact CE2-CG1 4.3Å; Y114-V323 HydrophobicContact CE2-CG2 4.34Å; V321-V323 PolarHBondContact O-N 3.32Å; V323-V327 HydrophobicContact CG1-CB 4.11Å; V323-V327 HydrophobicContact CG1-CG1 4.09Å; V323-R328 HydrophobicContact CB-CG 3.9Å; V323-R328 HydrophobicContact CG1-CG 3.59Å; V323-M331 HydrophobicContact CG1-SD 4.41Å
324P97Very high85.7Confident16 Ų1695.3 Ų95.310%0.10445%0.453CS..  trans-63.2147.3-179.1-22.333.3000112.6E91 Y114 H322 S326 V327 R328E91-P324 HydrophobicContact CG-CB 3.83Å; E91-P324 HydrophobicContact CG-CG 3.99Å; Y114-P324 HydrophobicContact CD1-CG 3.9Å; Y114-P324 VanDerWaalsContact CD2-CD 3.46Å; Y114-P324 HydrophobicContact CD2-CG 4.19Å; Y114-P324 HydrophobicContact CE1-CG 4.47Å; Y114-P324 VanDerWaalsContact CG-CD 3.49Å; Y114-P324 HydrophobicContact CG-CG 3.75Å; H322-P324 VanDerWaalsContact O-CD 3.3Å; H322-P324 WeakPolarHBondContact O-CD 3.48Å; P324-S326 VanDerWaalsContact C-N 3.33Å; P324-S326 PolarHBondContact O-N 2.91Å; P324-V327 HydrophobicContact CB-CG2 4.18Å; P324-V327 HydrophobicContact CG-CG2 4.28Å; P324-V327 WeakPolarHBondContact O-CA 3.48Å; P324-V327 WeakPolarHBondContact O-CB 3.29Å; P324-V327 PolarHBondContact O-N 3.3Å; P324-R328 PolarHBondContact O-N 2.9Å
325E96.1Very high84.8Confident104 Ų10497.9 Ų97.949%0.48647%0.47SS..Hα-helixtrans-59.2-38.9-172.3-178.258.6-16800114V327 R328 V329E325-V327 VanDerWaalsContact C-N 3.28Å; E325-V327 PolarHBondContact O-N 3.14Å; E325-R328 PolarHBondContact O-N 3.08Å; E325-R328 IonicContact OE2-CZ 2.98Å; E325-R328 IonicContact OE2-NE 3.31Å; E325-R328 PolarHBondContact OE2-NE 2.84Å; E325-R328 IonicContact OE2-NH2 3.25Å; E325-R328 PolarHBondContact OE2-NH2 2.85Å; E325-V329 WeakPolarHBondContact O-CG2 3.16Å; E325-V329 PolarHBondContact O-N 2.94Å
326S96.1Very high84.2Confident23 Ų2393.1 Ų93.116%0.16145%0.448CS..Hα-helixtrans-62.4-36.7176.2510000112.3D86 P324 Y330D86-S326 WeakPolarHBondContact OD2-CB 3.38Å; D86-S326 PolarHBondContact OD2-OG 2.84Å; P324-S326 VanDerWaalsContact C-N 3.33Å; P324-S326 PolarHBondContact O-N 2.91Å; S326-Y330 VanDerWaalsContact O-CB 3.3Å; S326-Y330 WeakPolarHBondContact O-CB 3.02Å; S326-Y330 PolarHBondContact O-N 2.87Å
327V96.6Very high82.9Confident0 Ų098.2 Ų98.20%046%0.464CS..Hα-helixtrans-71.1-39.9174.1-172.50000110.9P12 L85 E91 Y114 V323 P324 E325 V329 Y330 M331P12-V327 HydrophobicContact CG-CG1 4.16Å; L85-V327 HydrophobicContact CB-CG2 4.04Å; E91-V327 HydrophobicContact CB-CG2 3.69Å; E91-V327 HydrophobicContact CG-CG2 3.74Å; Y114-V327 HydrophobicContact CD1-CG2 4.34Å; Y114-V327 HydrophobicContact CE1-CB 4.32Å; Y114-V327 HydrophobicContact CE1-CG1 3.96Å; Y114-V327 HydrophobicContact CE1-CG2 3.88Å; V323-V327 HydrophobicContact CG1-CB 4.11Å; V323-V327 HydrophobicContact CG1-CG1 4.09Å; P324-V327 HydrophobicContact CB-CG2 4.18Å; P324-V327 HydrophobicContact CG-CG2 4.28Å; P324-V327 WeakPolarHBondContact O-CA 3.48Å; P324-V327 WeakPolarHBondContact O-CB 3.29Å; P324-V327 PolarHBondContact O-N 3.3Å; E325-V327 VanDerWaalsContact C-N 3.28Å; E325-V327 PolarHBondContact O-N 3.14Å; V327-V329 PolarHBondContact O-N 3Å; V327-Y330 PolarHBondContact O-N 3.14Å; V327-M331 HydrophobicContact CG1-CG 4.33Å; V327-M331 HydrophobicContact CG1-SD 3.99Å; V327-M331 WeakPolarHBondContact O-CB 3.15Å; V327-M331 VanDerWaalsContact O-CG 3.24Å; V327-M331 WeakPolarHBondContact O-CG 3.24Å; V327-M331 PolarHBondContact O-N 3.08Å
328R95.3Very high81.7Confident112 Ų11294.8 Ų94.842%0.42345%0.45SS..Hα-helixtrans-59.6-46.5174.5-63.4-160.8-64.2-150.73.9111.5V323 P324 E325 M331 L332V323-R328 HydrophobicContact CB-CG 3.9Å; V323-R328 HydrophobicContact CG1-CG 3.59Å; P324-R328 PolarHBondContact O-N 2.9Å; E325-R328 PolarHBondContact O-N 3.08Å; E325-R328 IonicContact OE2-CZ 2.98Å; E325-R328 IonicContact OE2-NE 3.31Å; E325-R328 PolarHBondContact OE2-NE 2.84Å; E325-R328 IonicContact OE2-NH2 3.25Å; E325-R328 PolarHBondContact OE2-NH2 2.85Å; R328-M331 PolarHBondContact O-N 2.95Å; R328-L332 WeakPolarHBondContact O-CB 3.41Å; R328-L332 VanDerWaalsContact O-CG 3.3Å; R328-L332 WeakPolarHBondContact O-CG 3.47Å; R328-L332 PolarHBondContact O-N 2.98Å
329V94.4Very high79.9Confident79 Ų7997.3 Ų97.348%0.47947%0.472SS..Hα-helixtrans-61.8-46175172.50000111E325 V327 M331 L332 K333E325-V329 WeakPolarHBondContact O-CG2 3.16Å; E325-V329 PolarHBondContact O-N 2.94Å; V327-V329 PolarHBondContact O-N 3Å; V329-M331 VanDerWaalsContact C-N 3.32Å; V329-M331 PolarHBondContact O-N 3.04Å; V329-L332 PolarHBondContact O-N 2.89Å; V329-L332 VanDerWaalsContact O-N 3.13Å; V329-K333 PolarHBondContact O-N 2.75Å
330Y94.3Very high78.3Confident29 Ų2992.5 Ų92.511%0.11447%0.469CS..Hα-helixtrans-58.2-41.5176.9-177.3-122.8000112.6P12 R27 L28 L85 D87 S326 V327P12-Y330 HydrophobicContact CB-CD1 4.44Å; P12-Y330 HydrophobicContact CB-CE1 4.48Å; R27-Y330 HydrophobicContact CB-CD1 4.37Å; R27-Y330 HydrophobicContact CB-CE1 3.53Å; R27-Y330 HydrophobicContact CG-CD1 3.84Å; R27-Y330 HydrophobicContact CG-CE1 3.44Å; R27-Y330 VanDerWaalsContact CG-CE1 3.44Å; R27-Y330 HydrophobicContact CG-CE2 4.32Å; R27-Y330 HydrophobicContact CG-CG 4.44Å; R27-Y330 VanDerWaalsContact CZ-O 3.22Å; R27-Y330 PolarHBondContact NE-O 3.37Å; R27-Y330 PolarHBondContact NH2-O 2.85Å; L28-Y330 HydrophobicContact CD1-CE1 4.17Å; L85-Y330 WeakPolarHBondContact O-CD1 3.42Å; D87-Y330 VanDerWaalsContact OD1-CD2 3.29Å; D87-Y330 WeakPolarHBondContact OD1-CD2 3.41Å; D87-Y330 VanDerWaalsContact OD1-CE2 3.25Å; D87-Y330 WeakPolarHBondContact OD1-CE2 3.2Å; S326-Y330 VanDerWaalsContact O-CB 3.3Å; S326-Y330 WeakPolarHBondContact O-CB 3.02Å; S326-Y330 PolarHBondContact O-N 2.87Å; V327-Y330 PolarHBondContact O-N 3.14Å
331M93.9Very high76.3Confident40 Ų4090.7 Ų90.720%0.19747%0.468CS..Hα-helixtrans-70.2-30.5175.2-69.4174.869.800113.6T11 P12 G25 R27 V323 V327 R328 V329T11-M331 WeakPolarHBondContact O-CE 3.37Å; P12-M331 HydrophobicContact CB-CG 3.86Å; P12-M331 HydrophobicContact CB-SD 4.37Å; G25-M331 WeakPolarHBondContact CA-O 3.31Å; G25-M331 WeakPolarHBondContact O-CA 3.29Å; G25-M331 WeakPolarHBondContact O-CG 3.3Å; R27-M331 PolarHBondContact NH2-O 2.79Å; V323-M331 HydrophobicContact CG1-SD 4.41Å; V327-M331 HydrophobicContact CG1-CG 4.33Å; V327-M331 HydrophobicContact CG1-SD 3.99Å; V327-M331 WeakPolarHBondContact O-CB 3.15Å; V327-M331 VanDerWaalsContact O-CG 3.24Å; V327-M331 WeakPolarHBondContact O-CG 3.24Å; V327-M331 PolarHBondContact O-N 3.08Å; R328-M331 PolarHBondContact O-N 2.95Å; V329-M331 VanDerWaalsContact C-N 3.32Å; V329-M331 PolarHBondContact O-N 3.04Å
332L91.2Very high74.2Confident149 Ų14994.9 Ų94.978%0.7850%0.499SS*.Hα-helixtrans-83.6-23178.2-71.1171000113.9R328 V329 Q334R328-L332 WeakPolarHBondContact O-CB 3.41Å; R328-L332 VanDerWaalsContact O-CG 3.3Å; R328-L332 WeakPolarHBondContact O-CG 3.47Å; R328-L332 PolarHBondContact O-N 2.98Å; V329-L332 PolarHBondContact O-N 2.89Å; V329-L332 VanDerWaalsContact O-N 3.13Å; L332-Q334 PolarHBondContact O-N 3.26Å
333K83.8Confident71.6Confident70 Ų7091.3 Ų91.330%0.30450%0.501SS..SBendtrans-53.5128179.4-164.8179.1-177.7-172.20111.9R27 D87 V329 E336R27-K333 PolarHBondContact NH2-O 3.16Å; D87-K333 IonicContact OD1-NZ 3.14Å; D87-K333 VanDerWaalsContact OD2-CD 3.29Å; D87-K333 WeakPolarHBondContact OD2-CD 3.41Å; D87-K333 WeakPolarHBondContact OD2-CE 3.49Å; D87-K333 IonicContact OD2-NZ 2.67Å; D87-K333 PolarHBondContact OD2-NZ 3.16Å; V329-K333 PolarHBondContact O-N 2.75Å; K333-E336 WeakPolarHBondContact CE-OE1 3.42Å; K333-E336 IonicContact NZ-OE1 3.09Å; K333-E336 PolarHBondContact NZ-OE1 3.29Å
334Q71Confident68.9Low170 Ų170100 Ų10079%0.79453%0.533SS*.  trans-66.7146.4172.1-69-161.520.300110.4L332 E336L332-Q334 PolarHBondContact O-N 3.26Å; Q334-E336 PolarHBondContact O-N 3.02Å
335P60.8Low66.3Low88 Ų88107.7 Ų107.757%0.57157%0.573SS**  trans-62.1113.3173.626.3-33.3000109.3R337P335-R337 PolarHBondContact O-N 3.4Å
336E55.1Low63.4Low98 Ų98105.9 Ų105.946%0.45858%0.582SS.*  trans-55.8128.6177.8-69.5167.5-176.900109.8K333 Q334 Q338K333-E336 WeakPolarHBondContact CE-OE1 3.42Å; K333-E336 IonicContact NZ-OE1 3.09Å; K333-E336 PolarHBondContact NZ-OE1 3.29Å; Q334-E336 PolarHBondContact O-N 3.02Å; E336-Q338 HydrophobicContact CB-CG 3.95Å; E336-Q338 PolarHBondContact O-N 3.31Å; E336-Q338 PolarHBondContact OE2-NE2 3.07Å
337R43.3Very low60.7Low238 Ų238112.1 Ų112.190%0.89861%0.613SS**  trans-72.381163.5-71.9-174179.1-170.91.1107.8P335 L339P335-R337 PolarHBondContact O-N 3.4Å; R337-L339 PolarHBondContact O-N 2.97Å
338Q43.1Very low57.7Low133 Ų133118.2 Ų118.262%0.62165%0.654SS**  trans-64.5104.7-179.4-69.5-166.9-15.900110.3E336E336-Q338 HydrophobicContact CB-CG 3.95Å; E336-Q338 PolarHBondContact O-N 3.31Å; E336-Q338 PolarHBondContact OE2-NE2 3.07Å
339L35Very low54.8Low166 Ų166123.6 Ų123.687%0.86967%0.674SS**  trans-57.4138142-77.476.9000106.5R337R337-L339 PolarHBondContact O-N 2.97Å
340G37.1Very low51.9Low73 Ų73131.5 Ų131.575%0.75370%0.695SS**  trans-78.3179.5-154.800000116.7
341S40.1Very low48.8Very low121 Ų121137.5 Ų137.585%0.84673%0.73SS**  trans97.4127.6167.4-158.60000117.8
342S45.1Very low46Very low117 Ų117143.6 Ų143.682%0.81876%0.762SS**  trans56.694.6149.3-173.30000119.3
343G38Very low43.3Very low68 Ų68141.9 Ų141.970%0.70176%0.763SS**  trans-159.31171.300000118.9
344Y40.7Very low40.8Very low206 Ų206144.2 Ų144.281%0.80879%0.788SS**  trans-134.562.4-173.3-86.2-84.1000114.2
345N41Very low39.1Very low177 Ų177144 Ų14495%0.94779%0.791SS**  trans-11097.9162-86-19000108.9
346G34.7Very low37.9Very low66 Ų66143.8 Ų143.868%0.6880%0.797SS**  trans-163.5-0.1-173.900000117.3C348G346-C348 PolarHBondContact O-N 2.99Å
347L39.9Very low37Very low155 Ų155145.3 Ų145.381%0.81282%0.815SS**  trans-71.7100.7171.7-71.9175.8000109.5R349L347-R349 VanDerWaalsContact C-N 3.26Å; L347-R349 PolarHBondContact O-N 2.91Å
348C33.6Very low36.5Very low127 Ų127145.5 Ų145.586%0.85882%0.816SS**  trans-71.277.1179.9-69.90000111.8G346 R350G346-C348 PolarHBondContact O-N 2.99Å; C348-R350 PolarHBondContact O-N 2.8Å
349R34.8Very low36Very low226 Ų226142.8 Ų142.885%0.85382%0.823SS**  trans-56.2121.6162.5-76.8-172.3170.9-156.3-4108.8L347 N351L347-R349 VanDerWaalsContact C-N 3.26Å; L347-R349 PolarHBondContact O-N 2.91Å; R349-N351 PolarHBondContact O-N 2.94Å
350R33Very low36Very low244 Ų244140.3 Ų140.392%0.92182%0.815SS**  trans-69.6119.3157.3-71-178.8177.5134.5-0.9106.5C348 L352C348-R350 PolarHBondContact O-N 2.8Å; R350-L352 PolarHBondContact O-N 3.06Å; R350-L352 VanDerWaalsContact O-N 3.11Å
351N29.2Very low36Very low156 Ų156144.4 Ų144.483%0.83482%0.818SS**  trans-67.4110.8-176.7-73.1-29.5000110.6R349R349-N351 PolarHBondContact O-N 2.94Å
352L36.1Very low35.6Very low168 Ų168147 Ų14788%0.8881%0.814SS**  trans-102.8121.5158-142.875.9000107.5R350 S354R350-L352 PolarHBondContact O-N 3.06Å; R350-L352 VanDerWaalsContact O-N 3.11Å; L352-S354 PolarHBondContact O-N 3Å
353S34.3Very low35.1Very low113 Ų113149.2 Ų149.279%0.7982%0.817SS**  trans-72.2115.1-178.552.40000110.6L355S353-L355 PolarHBondContact O-N 2.86Å
354S31.4Very low34.9Very low118 Ų118152 Ų15283%0.82582%0.82SS**PPolyproline II helixtrans-69.4125.9169.546.20000110.2L352L352-S354 PolarHBondContact O-N 3Å
355L34.7Very low34.5Very low166 Ų166148.3 Ų148.387%0.86982%0.822SS**PPolyproline II helixtrans-76125.3164.8-71.4169.6000107.9S353S353-L355 PolarHBondContact O-N 2.86Å
356A35.4Very low34.1Very low84 Ų84146.3 Ų146.369%0.69482%0.816SS**PPolyproline II helixtrans-64.5135.5-18000000111R358A356-R358 PolarHBondContact O-N 3.47Å
357P35.7Very low33.9Very low129 Ų129152 Ų15284%0.83882%0.821SS**PPolyproline II helixtrans-66.1122.617727-33.4000110G359P357-G359 PolarHBondContact O-N 2.66Å
358R33.8Very low33.4Very low243 Ų243153.2 Ų153.292%0.91782%0.82SS**  trans-76.7104.5171.5-68.5-175.7176.9-165.9-1.6108.7A356A356-R358 PolarHBondContact O-N 3.47Å
359G33.5Very low33.2Very low75 Ų75152.1 Ų152.177%0.77381%0.814SS**  trans-62.9152.5173.900000112.3P357P357-G359 PolarHBondContact O-N 2.66Å
360V33.2Very low32.8Very low114 Ų114153.4 Ų153.469%0.69182%0.819SS**  trans-113.9123.1171.9-178.90000107.7F362V360-F362 HydrophobicContact CG1-CE2 4.06Å; V360-F362 HydrophobicContact CG1-CZ 4.13Å
361I37.8Very low32.6Very low160 Ų160150.7 Ų150.782%0.82181%0.814SS**  trans-89.2138.2173.3-60.7173.7000107.9
362F32.6Very low32.4Very low176 Ų176149.5 Ų149.577%0.77281%0.807SS**  trans-112.6122.8170.4-71.3-82.7000109.7V360V360-F362 HydrophobicContact CG1-CE2 4.06Å; V360-F362 HydrophobicContact CG1-CZ 4.13Å
363D33.1Very low31.9Very low162 Ų162152.1 Ų152.187%0.86681%0.807SS**  trans-66.6143.6170-72.8-46.4000111
364T33.7Very low31.6Very low127 Ų127153.6 Ų153.678%0.77980%0.801SS**  trans-123.7148.2166.637.30000110.8
365P34Very low31.3Very low129 Ų129157.2 Ų157.284%0.83880%0.802SS**  trans-88.2144-147.132.1-37000115.8
366V31.6Very low31Very low135 Ų135153.5 Ų153.582%0.81880%0.795SS**  trans-85.9121.9177.3179.10000112.5
367K31.3Very low30.5Very low184 Ų184155.3 Ų155.380%0.880%0.801SS**  trans165.7145.1149.4-92.7148.8-166.9169.70110
368K28.1Very low30Very low181 Ų181157.7 Ų157.779%0.78780%0.801SS**  cis-162.8132-12.2-132.9-176.6-173.6-174.20110.7
369S30.7Very low29.8Very low104 Ų104154.6 Ų154.673%0.72780%0.797SS**  trans26122.4148.5620000121.9
370R26.9Very low29.5Very low253 Ų253158.7 Ų158.796%0.95580%0.796SS**  trans-139.8168133.6-113175.7-179.4170.70.1110.1
371K27Very low29.2Very low188 Ų188160.3 Ų160.382%0.81780%0.801SS**  trans-120.4152-157.4-98.1-168.5175.5-170.10113.9
372L26.1Very low28.9Very low131 Ų131158.9 Ų158.969%0.68679%0.794SS**  trans63.8123.5150.4-67.3163.1000119
373Y26.3Very low28.9Very low223 Ų223157.6 Ų157.688%0.87579%0.79SS**  -152.9172.593.5-115-85.7000110.6
374E27.1Very low28.9Very low144 Ų144157.2 Ų157.267%0.67378%0.783SS**  trans-109.4175.3-167.7-51.7176.6130.900114.4
375K25.7Very low28.7Very low193 Ų193158.2 Ų158.284%0.83978%0.784SS**  trans73.8146.2159.4-77.6175.5178.2177.90117
376A26.7Very low28.5Very low88 Ų88154.5 Ų154.573%0.72777%0.768SS**  cis-150.2179-5.500000107.9
377C25.8Very low28.5Very low123 Ų123153.4 Ų153.483%0.83177%0.767SS**  cis-137.7170.115.1-59.70000112.6
378E26Very low28.6Very low179 Ų179152 Ų15284%0.83676%0.763SS**  trans-82.7159.1160.8-63.6141.3132.900110.6
379E28.1Very low28.8Very low177 Ų177150.6 Ų150.683%0.82776%0.759SS**  167.2118.1126.7-91168.7-170.900111
380E28.3Very low28.8Very low162 Ų162152.3 Ų152.376%0.75776%0.761SS**  trans56.9145.9142-51.3-173.4155.800119.3
381D27.5Very low29.1Very low147 Ų147147.9 Ų147.979%0.78675%0.754SS**  cis-128.6140.428.4-64.3-62.3000116
382I31.1Very low29.3Very low130 Ų130145.4 Ų145.467%0.66775%0.75SS**  1.2143117.4-70.8161.6000115.9
383E32.2Very low29.7Very low149 Ų149144.7 Ų144.770%0.69675%0.751SS**  cis-165.3-173.7-7.2-104.1-172.511600104.4
384Q32.8Very low30Very low154 Ų154140.7 Ų140.772%0.7275%0.745SS**  cis-163.7170.30.8-123.6170.736.500103.8
385D30Very low30.2Very low149 Ų149138.4 Ų138.480%0.79775%0.745SS**  cis-159.7165.4-6.8-169.446.4000104.8
386G29.2Very low30.7Very low50 Ų50134.5 Ų134.552%0.51574%0.742SS.*  cis-179.3-1753.600000110.7
387S31.9Very low31.1Very low112 Ų112138.5 Ų138.578%0.78375%0.745SS**  trans18.8149.4160.950.40000122.8
388E32.7Very low31.5Very low156 Ų156142.8 Ų142.873%0.72974%0.744SS**  cis165170.6-20.8-120.7-174.6-156.300106.4
389Q33Very low31.7Very low151 Ų151140.9 Ų140.971%0.70674%0.739SS**  trans69.7113.9165.1-65.7150.854.100115.7
390D30.5Very low32Very low140 Ų140137 Ų13775%0.74973%0.732SS**  cis87.6156.334.3-58.9-53.5000115.5
391I34.1Very low32.1Very low160 Ų160135.7 Ų135.782%0.82173%0.73SS**  trans78.8134.4166-54.9178000116.5
392D30.9Very low32.2Very low135 Ų135134 Ų13472%0.72273%0.728SS**  cis-171.9-172.9-33.1-148.7-28.3000108.3
393T34.1Very low32.1Very low117 Ų117136.1 Ų136.172%0.71874%0.739SS**  trans72.5147.6153.730.40000118.8
394D31.5Very low32Very low138 Ų138136.5 Ų136.574%0.73875%0.745SS**  cis-155.5168.7-1.3-163.813.4000112.6
395S32.1Very low31.9Very low96 Ų96135.4 Ų135.467%0.67175%0.749SS**  trans77.3144.6149.982.40000119.1
396S35.2Very low32.1Very low112 Ų112134.6 Ų134.678%0.78374%0.744SS**  cis-157.2171.7-7.439.10000112.8
397E36.2Very low32.6Very low171 Ų171136.9 Ų136.980%0.79975%0.751SS**  trans-71.7157.1-165.3-50.2152132.100117.1
398R33.8Very low32.8Very low214 Ų214136.6 Ų136.681%0.80875%0.748SS**  -179.5139.9112-100.1171.3-77.3-164.1-6.6116.4
399D31.4Very low32.8Very low138 Ų138136.4 Ų136.474%0.73875%0.751SS**  38.3141.8129.1-51.1-9.4000121
400S33.5Very low33.1Very low95 Ų95139 Ų13966%0.66476%0.759SS**  cis-165.1159.4-1.6-114.40000112.7
401D30Very low33Very low136 Ų136140 Ų14073%0.72776%0.764SS**  trans40.6112.6148-62.7-57.2000124
402C29.1Very low33.1Very low110 Ų110138.8 Ų138.874%0.74376%0.764SS**  32.9129.2115.5-55.10000122
403I30.5Very low34.3Very low176 Ų176137.3 Ų137.390%0.90376%0.762SS**  -172.5159.9111.5-98.6162.8000112.7
404L29.3Very low34Very low156 Ų156138.5 Ų138.582%0.81776%0.764SS**  trans-75.4160.5-177.4-62.9156.2000114.2
405V30.1Very low34.1Very low132 Ų132139.8 Ų139.880%0.876%0.763SS**  166129.7116.9155.90000111.7
406D35.8Very low34Very low131 Ų131141.3 Ų141.370%0.70176%0.764SS**  trans-104.9143.8153.717250.5000107.5S408D406-S408 PolarHBondContact OD1-N 2.83Å; D406-S408 VanDerWaalsContact OD1-N 3.15Å
407P39.1Very low33.7Very low99 Ų99146 Ų14664%0.64376%0.764SS**  -144134.5114.435.3-20.2000115.3
408S36.2Very low33.4Very low105 Ų105146.3 Ų146.373%0.73476%0.763SS**  trans-59.8138.3162.6-67.20000113.4D406D406-S408 PolarHBondContact OD1-N 2.83Å; D406-S408 VanDerWaalsContact OD1-N 3.15Å
409I32.6Very low33.2Very low152 Ų152139.1 Ų139.178%0.77976%0.755SS**  trans-130.3125163.2-61.8-177.9000110.5
410K40.4Very low33.2Very low205 Ų205138.2 Ų138.289%0.89175%0.751SS**  trans-101.5132.7164.7-69.9178.3178176.30109.4
411L27.6Very low33Very low163 Ų163140.6 Ų140.685%0.85376%0.756SS**  trans-145.5148153.6-79.2-175.8000111.7
412T35.1Very low33.1Very low133 Ų133142.1 Ų142.182%0.81676%0.759SS**  trans-139.4-163.7174.955.10000107.3
413P57.6Low33Very low105 Ų105145.4 Ų145.468%0.68276%0.763SS**  -120.1173.7-63.834.7-20.4000112
414N27.6Very low33.1Very low141 Ų141143.6 Ų143.675%0.75475%0.754SS**  trans173.3160.9156.6-96.5-31.9000109.8
415K32.7Very low32.9Very low166 Ų166142.5 Ų142.572%0.72275%0.753SS**  cis-178.2-178.6-27.6-127.4-174.5-155.9167.50107.6
416N30Very low32.9Very low128 Ų128142 Ų14268%0.68476%0.755SS**  trans77.7151.1160.7-55.6-39.9000116.5
417R30.5Very low32.5Very low210 Ų210139.5 Ų139.579%0.79276%0.76SS**  cis-168.4147.4-11.7-114.7172.2176.3177.6-3.6110.4
418K29.6Very low31.9Very low178 Ų178143.5 Ų143.577%0.77477%0.77SS**  trans60.5157.6156.6-67.5-172.8159.4-119.90116.7D420K418-D420 IonicContact NZ-OD2 2.75Å
419G28.6Very low31.5Very low62 Ų62145.3 Ų145.364%0.63977%0.771SS**  cis120.9143.58.600000110.8
420D32.6Very low31.3Very low120 Ų120142 Ų14264%0.64277%0.766SS**  cis-154.3-176.39.1-63.4-56.3000110.3K418K418-D420 IonicContact NZ-OD2 2.75Å
421N29Very low30.6Very low145 Ų145140.5 Ų140.578%0.77577%0.765SS**  trans79.4128.2175.8-50.86.9000116.6
422E30.4Very low30.5Very low168 Ų168140 Ų14079%0.78576%0.761SS**  cis78.3141.429-52-175.6146.700113.9
423E28.8Very low30.1Very low179 Ų179141.1 Ų141.184%0.83676%0.757SS**  cis-121.5158.415.2-74.2174.4112.100111.8
424I31Very low28.7Very low138 Ų138141.3 Ų141.371%0.70876%0.761SS**  cis84.1135.445.8-58.5172.8000115
425V26.5Very low28.5Very low133 Ų133141.9 Ų141.981%0.80677%0.769SS**  trans125.8102.1173.4170.40000108.8
426S29.6Very low28.3Very low121 Ų121143.1 Ų143.185%0.84678%0.778SS**  cis78.3122.346.3-158.40000113.8
427G26.7Very low28.2Very low78 Ų78144 Ų14480%0.80478%0.782SS**  trans177.3123.8-178.400000111.5
428E27.9Very low27.9Very low183 Ų183137.4 Ų137.486%0.85578%0.779SS**  trans-127.7-178.5-168.2-150.3-170.6153.600111.4
429L27.9Very low27.7Very low144 Ų144136.2 Ų136.275%0.75478%0.776SS**  trans79.9105.3168.1-89.674.5000120.6
430A26.6Very low27.6Very low81 Ų81141.1 Ų141.167%0.66979%0.787SS**  83.1115.6105.600000123.7
431M25.9Very low27.4Very low175 Ų175141 Ų14186%0.86279%0.79SS**  73.6162.8123.2-66-70.1-166.200121.7
432I26.9Very low27.3Very low152 Ų152143.3 Ų143.378%0.77980%0.796SS**  trans72.8131.2168.4-66.2166000114.7
433E25Very low27.1Very low157 Ų157140.7 Ų140.773%0.73480%0.797SS**  cis-151.8141.7-12.3-107177.7149.200106.9
434S28.4Very low27Very low108 Ų108136.7 Ų136.776%0.75579%0.789SS**  59.494.878.6-50.50000115.9
435V25Very low26.7Very low154 Ų154140.4 Ų140.493%0.93380%0.8SS**  trans-139.8120.5151.8-178.70000110.2
436Q27.7Very low26.7Very low192 Ų192141.5 Ų141.590%0.89780%0.801SS**  trans-152.6157.8164.4-160.5177.423.900109
437L26.8Very low27.4Very low147 Ų147141 Ų14177%0.7780%0.795SS**  trans88.1153.5170.5-155.563.3000117.7Q439L437-Q439 HydrophobicContact CD1-CB 4.35Å; L437-Q439 HydrophobicContact CD1-CG 4.02Å
438G24.4Very low27.3Very low71 Ų71143.8 Ų143.873%0.73280%0.797SS**  trans113.970.8-170.400000110.7
439Q27.2Very low27.1Very low153 Ų153140.9 Ų140.972%0.71579%0.786SS**  cis6389.849.2-107.4-170.4-2.300114.2L437L437-Q439 HydrophobicContact CD1-CB 4.35Å; L437-Q439 HydrophobicContact CD1-CG 4.02Å
440L26.2Very low27.1Very low164 Ų164141 Ų14186%0.85979%0.793SS**  trans-132.6100.1147.5-70.8174.7000105
441T26.9Very low27.1Very low118 Ų118143.2 Ų143.272%0.72479%0.794SS**  66.61268064.20000113.8
442E27.6Very low27.3Very low193 Ų193140.9 Ų140.990%0.90279%0.794SS**  trans-66.9156.8-170.4-54.9152.2127.600114.2
443S26.4Very low27.3Very low113 Ų113139.5 Ų139.579%0.7979%0.789SS**  trans-147.694142.268.50000111.1
444S26.6Very low27.5Very low96 Ų96139 Ų13967%0.67180%0.797SS**  trans18.1126.5145.559.20000119.8
445F25.3Very low27.4Very low215 Ų215141.1 Ų141.194%0.94379%0.793SS**  -154.2111123.6-95.8-63.2000110.7
446D25.9Very low27.5Very low156 Ų156143.5 Ų143.583%0.83479%0.785SS**  trans-94.3166.3173.5-122.2-6.5000110.5
447P43.5Very low27.4Very low110 Ų110140.6 Ų140.671%0.71478%0.78SS**  trans-89.5153.1-157.634.7-38.2000115.6
448V24.4Very low27.3Very low138 Ų138145.9 Ų145.984%0.83679%0.79SS**  trans-136142.1159.2158.50000111.8
449L24.5Very low27.3Very low121 Ų121150.8 Ų150.863%0.63479%0.794SS**  trans-49.9155.1-177.6-49.596.9000117
450T28.3Very low27.2Very low146 Ų146151.8 Ų151.890%0.89679%0.791SS**  -128.2141.6117.446.40000110.2
451N25.8Very low27.1Very low129 Ų129151.9 Ų151.969%0.6979%0.792SS**  trans-94.6143.2-178.7-83.9-47.6000111.8
452S30.8Very low27Very low125 Ų125151.4 Ų151.487%0.87478%0.781SS**  trans-146.7116.3145.855.10000110.9
453N26.9Very low27Very low124 Ų124150.1 Ų150.166%0.66378%0.778SS**  trans-109.1123.7-177.2-109.8-43.6000109.9
454T28.8Very low26.9Very low146 Ų146153.1 Ų153.190%0.89678%0.777SS**  trans-163.175.4151.715.10000114.3
455F25.9Very low26.8Very low153 Ų153155.2 Ų155.267%0.67179%0.786SS**  trans25.5122.3138.5-87.7-116.3000122.8
456R26.8Very low26.8Very low204 Ų204150 Ų15077%0.7778%0.776SS**  trans72.8103.9131.8-70.7-171.2-179.1168.1-1.4122.6
457T25.7Very low26.8Very low130 Ų130148.9 Ų148.980%0.79878%0.775SS**  28127.9117.735.50000121.2
458R25.8Very low26Very low258 Ų258151.2 Ų151.297%0.97478%0.782SS**  trans-142.9-177.7134.4-126175.9-175.9-179.41.4112.3
459Q24.9Very low26.1Very low175 Ų175150 Ų15082%0.81877%0.774SS**  trans-137.3161.8-145.9-166.2-167.921.500111.6
460R23.7Very low26.3Very low174 Ų174153.7 Ų153.766%0.65779%0.788SS**  trans74.5133.4153.8-164.5-174.6-166.9175.50.8116.9E462R460-E462 HydrophobicContact CG-CG 4.32Å; R460-E462 IonicContact CZ-OE1 3.59Å; R460-E462 VanDerWaalsContact CZ-OE1 3.24Å; R460-E462 IonicContact CZ-OE2 3.46Å; R460-E462 VanDerWaalsContact NE-CD 3.29Å; R460-E462 IonicContact NE-OE1 3.48Å; R460-E462 PolarHBondContact NE-OE1 2.64Å; R460-E462 IonicContact NE-OE2 2.69Å; R460-E462 IonicContact NH2-OE1 2.8Å; R460-E462 PolarHBondContact NH2-OE1 2.99Å; R460-E462 IonicContact NH2-OE2 2.67Å; R460-E462 PolarHBondContact NH2-OE2 3.38Å; R460-E462 VanDerWaalsContact NH2-OE2 3.16Å
461L24.5Very low26.3Very low166 Ų166149.9 Ų149.987%0.86978%0.778SS**  trans-137.9129.7136.6-150.177.8000109.4
462E25.6Very low26.5Very low107 Ų107151.5 Ų151.550%0.578%0.781SS.*  trans-99.2141.8166.3-70167.7176.500107.7R460R460-E462 HydrophobicContact CG-CG 4.32Å; R460-E462 IonicContact CZ-OE1 3.59Å; R460-E462 VanDerWaalsContact CZ-OE1 3.24Å; R460-E462 IonicContact CZ-OE2 3.46Å; R460-E462 VanDerWaalsContact NE-CD 3.29Å; R460-E462 IonicContact NE-OE1 3.48Å; R460-E462 PolarHBondContact NE-OE1 2.64Å; R460-E462 IonicContact NE-OE2 2.69Å; R460-E462 IonicContact NH2-OE1 2.8Å; R460-E462 PolarHBondContact NH2-OE1 2.99Å; R460-E462 IonicContact NH2-OE2 2.67Å; R460-E462 PolarHBondContact NH2-OE2 3.38Å; R460-E462 VanDerWaalsContact NH2-OE2 3.16Å
463I27.6Very low26.4Very low166 Ų166154 Ų15485%0.85178%0.776SS**  trans-98.3108.5168.1-61.1-179.9000107.9
464K24.4Very low26.4Very low177 Ų177151.6 Ų151.677%0.7778%0.781SS**  trans-101.3150.2169.1-84.6-174.6175.2179.20110.9
465T23.7Very low26.5Very low140 Ų140157 Ų15786%0.85979%0.785SS**  trans-84.9128.618049.50000113
466S24.8Very low26.5Very low105 Ų105153 Ų15373%0.73479%0.787SS**  trans-156104.8156.253.30000107
467V26.6Very low26.6Very low132 Ų132150.9 Ų150.980%0.879%0.791SS**  51.7108.984.4-177.50000111.7
468N26.3Very low26.9Very low160 Ų160150 Ų15086%0.85679%0.785SS**  trans-148.2134.1156.3-154.3-3.7000108.8
469T26.8Very low27Very low111 Ų111145.8 Ų145.868%0.68178%0.776SS**  trans-125118.6-164.849.20000112.4
470H29.5Very low27.2Very low199 Ų199145.6 Ų145.692%0.92178%0.777SS**  trans-156.3135.6160.4-87.468.6000107.5
471G27.1Very low27.5Very low67 Ų67141 Ų14169%0.69177%0.772SS**  cis152.468.6-20.400000117.5
472H29.4Very low27.7Very low162 Ų162141.4 Ų141.475%0.7577%0.769SS**  trans-169.4142.5149.2-1066.8000116.9
473K30.3Very low27.8Very low179 Ų179141.2 Ų141.278%0.77878%0.776SS**  trans23134.7144.2-58161.3-179.21580120.1
474G27.3Very low27.9Very low73 Ų73140.8 Ų140.875%0.75378%0.775SS**  cis147160.7-10.100000115.4
475R29.3Very low28.1Very low259 Ų259136.1 Ų136.198%0.97777%0.769SS**  trans60.3131.7170.3-78-174.1169.5-177.4-4.7119.3
476G27.3Very low28.4Very low70 Ų70135.7 Ų135.772%0.72276%0.761SS**  trans152.782.7161.500000116.5
477D29.1Very low28.8Very low158 Ų158138.4 Ų138.485%0.84576%0.762SS**  trans-4.3154.3130.3-44.1-29.2000117.3
478V30.5Very low29Very low111 Ų111138.6 Ų138.667%0.67376%0.759SS**  cis-170.2167.5-0121.50000109.8
479E28.5Very low29.2Very low170 Ų170134.3 Ų134.379%0.79475%0.746SS**  trans65.5146.3168.1-80.4150.1-163.500117
480M28.9Very low29.3Very low171 Ų171135.1 Ų135.184%0.84275%0.75SS**  62.6138.357.7-81.517758.400113.4
481S29.3Very low29.2Very low79 Ų79130.7 Ų130.755%0.55274%0.742SS**  cis-171.1163.5-1.748.10000111.2
482Q30Very low29.3Very low173 Ų173135.1 Ų135.181%0.80875%0.745SS**  trans66.9166.9155.8-74.2171.59.400115.8
483T27.7Very low29.3Very low103 Ų103135.3 Ų135.363%0.63275%0.745SS**  cis-158.3150.4-3.89.30000110.9
484L29Very low29.1Very low158 Ų158131.6 Ų131.683%0.82774%0.742SS**  trans51.8154.8140.2-65.5170.6000124.6
485A28.9Very low29.1Very low79 Ų79140.4 Ų140.465%0.65375%0.753SS**  trans79.4144.9144.600000120
486D30.3Very low29Very low131 Ų131131.7 Ų131.770%0.70174%0.744SS**  cis-166.6163.5-12.8-105.7-23.5000111.5
487H33.4Very low29Very low161 Ų161134.7 Ų134.775%0.74574%0.744SS**  trans58.7165.3152.3-73.3-52000120.6
488D31Very low29.2Very low137 Ų137135.1 Ų135.173%0.73374%0.741SS**  cis-163.4173.8-45.2-137.6-47.5000111.5
489A29.6Very low29.1Very low70 Ų70135.1 Ų135.158%0.57975%0.745SS**  trans60.3109.5145.800000124.5
490T28Very low29.1Very low127 Ų127132 Ų13278%0.77974%0.743SS**  67.8114.9124.760.90000125.6
491S29.1Very low29Very low107 Ų107128 Ų12875%0.74874%0.737SS**  95.1148.8113.473.50000125.1
492E29.4Very low29Very low159 Ų159130.1 Ų130.174%0.74375%0.751SS**  trans100147.6153.4-66.9-105.7136.100122.3
493H29Very low28.9Very low166 Ų166126 Ų12677%0.76975%0.746SS**  trans68.2116.7172.2-47.7-28.6000118.2
494S26.6Very low28.9Very low102 Ų102128.2 Ų128.271%0.71375%0.754SS**  cis109.4154.920.6-167.50000113.7
495W26.4Very low28.8Very low257 Ų257128.3 Ų128.397%0.97375%0.748SS**  trans69.4146.9-170.2-54.947.3000112.5
496G26.3Very low28.8Very low77 Ų77132.6 Ų132.679%0.79475%0.752SS**  cis157.2159.23.900000107
497D28.4Very low28.6Very low133 Ų133133.4 Ų133.471%0.71176%0.756SS**  cis-167.2163.8-0.1-174.919.8000109.4
498Q32.3Very low28.4Very low167 Ų167131.3 Ų131.378%0.7876%0.759SS**  trans62.8153.9163.2-79.3168.86700120
499S29.4Very low29Very low110 Ų110129.9 Ų129.977%0.76976%0.758SS**  cis-148.6171.23.754.40000114.8
500S27.8Very low29Very low106 Ų106133.7 Ų133.774%0.74177%0.768SS**  trans-63.8157.5177.847.30000115.8
501A28Very low29Very low87 Ų87139.6 Ų139.672%0.71978%0.776SS**  cis93.6135.523.700000117.4
502S28.2Very low29.1Very low123 Ų123139.1 Ų139.186%0.8678%0.778SS**  trans69.7161.7169.578.70000119.1
503A28.7Very low29.1Very low85 Ų85136 Ų13670%0.70277%0.774SS**  cis-172.4173.7-36.500000111.8
504L27.5Very low29.2Very low150 Ų150136.4 Ų136.479%0.78578%0.781SS**  trans85144.3153.6-65.3169.1000123.6
505F26.3Very low29.3Very low160 Ų160135.1 Ų135.170%0.70278%0.784SS**  trans88.2102.8146.6-75.2-49.5000125
506K28.5Very low29.6Very low170 Ų170128.1 Ų128.174%0.73977%0.774SS**  84.2143.6119.1-99.4172.7-175.2174.70123.5
507N27.1Very low30.2Very low148 Ų148131.6 Ų131.679%0.79178%0.775SS**  trans89.5136.9155.9-59.9-6.4000119.9
508S29.1Very low30.8Very low116 Ų116134.1 Ų134.181%0.81178%0.782SS**  trans-99.4174.2175.2-39.70000110.5
509P44.2Very low31.2Very low108 Ų108131.9 Ų131.970%0.70178%0.78SS**  -149.7-178.166.942.3-22000117.6
510D28.3Very low32Very low149 Ų149130.1 Ų130.180%0.79777%0.768SS**  trans59.1107.3153.6-58.5-20.6000123.2
511R29.3Very low32.9Very low252 Ų252134.5 Ų134.595%0.95177%0.768SS**  -170.9166.798.6-105.6-178.9172.6-171.3-3114.2
512A29.7Very low33.7Very low96 Ų96136.2 Ų136.279%0.79376%0.761SS**  trans-78.5177.418000000112.5
513S29.6Very low34.6Very low94 Ų94134 Ų13466%0.65775%0.745SS**  cis-163.1155.920.758.40000114.6
514L31Very low35.8Very low174 Ų174134 Ų13491%0.91174%0.737SS**  trans59.4125.8148.9-68.2164000120
515G29Very low37.1Very low75 Ų75132.4 Ų132.477%0.77373%0.725SS**  trans-137.1151.7158.300000109.7
516S32.7Very low38.5Very low110 Ų110130.2 Ų130.277%0.76972%0.716SS**  trans-153.399.9-173.557.60000112
517D39.7Very low39.5Very low150 Ų150127.3 Ų127.380%0.80271%0.707SS**  trans-124.12.4-169.4-96.1-43.7000115.7
518E39.7Very low40.6Very low187 Ų187126.1 Ų126.187%0.87470%0.697SS**SBendtrans-86.8-13.2-176.6-68.1-171.7123.400114.9S520E518-S520 PolarHBondContact O-N 3.19Å
519V40.6Very low42Very low120 Ų120125 Ų12573%0.72768%0.682SS**SBendtrans-81.1-14.3-170.9-175.20000113.5S523V519-S523 PolarHBondContact O-OG 3.08Å
520S47.9Very low43Very low73 Ų73124.3 Ų124.351%0.5167%0.671SS.*SBendtrans-77.6-37.7-172.758.10000114.4E518 S523 T524E518-S520 PolarHBondContact O-N 3.19Å; S520-S523 PolarHBondContact O-N 2.96Å; S520-T524 PolarHBondContact O-N 3.35Å
521R45.2Very low44Very low197 Ų197122.4 Ų122.474%0.74366%0.661SS**Hα-helixtrans-72.5-46.9-167.7-86.2-179.8144.2136.9-4.7115.4S523 T524 E525R521-S523 PolarHBondContact O-N 3.26Å; R521-T524 PolarHBondContact O-N 3.34Å; R521-T524 PolarHBondContact O-OG1 2.86Å; R521-E525 PolarHBondContact O-N 2.9Å
522E45.5Very low44.9Very low123 Ų123115.8 Ų115.858%0.57564%0.644SS**Hα-helixtrans-60.5-28.9176.9-87.5-150.699.800112.3K526E522-K526 WeakPolarHBondContact O-CD 3.5Å; E522-K526 WeakPolarHBondContact O-CG 3.47Å; E522-K526 PolarHBondContact O-N 3.37Å; E522-K526 IonicContact OE1-NZ 3.74Å; E522-K526 PolarHBondContact OE1-NZ 3.45Å; E522-K526 IonicContact OE2-NZ 2.75Å
523S47.3Very low45.7Very low76 Ų76120 Ų12053%0.53164%0.644SS.*Hα-helixtrans-71.9-38-179-58.70000111.9V519 S520 R521 L527V519-S523 PolarHBondContact O-OG 3.08Å; S520-S523 PolarHBondContact O-N 2.96Å; R521-S523 PolarHBondContact O-N 3.26Å; S523-L527 PolarHBondContact O-N 3.36Å
524T54.4Low46.6Very low86 Ų86125.5 Ų125.553%0.52865%0.65SS.*Hα-helixtrans-70.7-45.617839.40000112.7S520 R521 K526 L527 E528S520-T524 PolarHBondContact O-N 3.35Å; R521-T524 PolarHBondContact O-N 3.34Å; R521-T524 PolarHBondContact O-OG1 2.86Å; T524-K526 VanDerWaalsContact C-N 3.32Å; T524-K526 PolarHBondContact O-N 2.76Å; T524-L527 PolarHBondContact O-N 3.14Å; T524-L527 VanDerWaalsContact O-N 3.13Å; T524-E528 PolarHBondContact O-N 3.38Å
525E54.5Low47.2Very low117 Ų117122 Ų12255%0.54763%0.632SS.*Hα-helixtrans-64.7-36.8-178.3-67.417917900112.1R521 N529R521-E525 PolarHBondContact O-N 2.9Å; E525-N529 WeakPolarHBondContact O-CB 3.41Å; E525-N529 PolarHBondContact O-N 2.75Å; E525-N529 VanDerWaalsContact O-N 3.1Å; E525-N529 PolarHBondContact O-ND2 2.76Å
526K55.2Low47.6Very low114 Ų114124 Ų12450%0.49663%0.631SS.*Hα-helixtrans-66.6-36.8174.8-73.2167.2-170.7155.10111.9E522 T524 I530E522-K526 WeakPolarHBondContact O-CD 3.5Å; E522-K526 WeakPolarHBondContact O-CG 3.47Å; E522-K526 PolarHBondContact O-N 3.37Å; E522-K526 IonicContact OE1-NZ 3.74Å; E522-K526 PolarHBondContact OE1-NZ 3.45Å; E522-K526 IonicContact OE2-NZ 2.75Å; T524-K526 VanDerWaalsContact C-N 3.32Å; T524-K526 PolarHBondContact O-N 2.76Å; K526-I530 WeakPolarHBondContact O-CD1 2.94Å; K526-I530 VanDerWaalsContact O-CG1 3.23Å; K526-I530 WeakPolarHBondContact O-CG1 3.29Å; K526-I530 PolarHBondContact O-N 2.93Å
527L48.6Very low48.1Very low108 Ų108125.2 Ų125.257%0.56562%0.623SS**Hα-helixtrans-70.3-43.2177.5-16768.8000111.9S523 T524 I530 L531S523-L527 PolarHBondContact O-N 3.36Å; T524-L527 PolarHBondContact O-N 3.14Å; T524-L527 VanDerWaalsContact O-N 3.13Å; L527-I530 PolarHBondContact O-N 2.78Å; L527-I530 VanDerWaalsContact O-N 3.16Å; L527-L531 WeakPolarHBondContact O-CG 3.45Å; L527-L531 PolarHBondContact O-N 3.29Å
528E52.2Low48.9Very low124 Ų124120.7 Ų120.758%0.57960%0.603SS**Hα-helixtrans-63.2-43.6178.7-168.8164.8-141.200111.8T524 I530 L531 L532T524-E528 PolarHBondContact O-N 3.38Å; E528-I530 VanDerWaalsContact C-N 3.28Å; E528-I530 PolarHBondContact O-N 3.35Å; E528-L531 PolarHBondContact O-N 3.06Å; E528-L531 VanDerWaalsContact O-N 3.16Å; E528-L532 WeakPolarHBondContact O-CG 3.38Å; E528-L532 PolarHBondContact O-N 2.69Å
529N57.2Low49.3Very low92 Ų92120.4 Ų120.449%0.49260%0.602SS.*Hα-helixtrans-65.2-26.3173.8-82.4-81.8000114E525 K533E525-N529 WeakPolarHBondContact O-CB 3.41Å; E525-N529 PolarHBondContact O-N 2.75Å; E525-N529 VanDerWaalsContact O-N 3.1Å; E525-N529 PolarHBondContact O-ND2 2.76Å; N529-K533 WeakPolarHBondContact O-CG 3.3Å; N529-K533 PolarHBondContact O-N 2.79Å
530I64.8Low49.6Very low93 Ų93123 Ų12348%0.47760%0.604SS.*Hα-helixtrans-76.4-34.5173.6-73166.6000111.2K526 L527 E528K526-I530 WeakPolarHBondContact O-CD1 2.94Å; K526-I530 VanDerWaalsContact O-CG1 3.23Å; K526-I530 WeakPolarHBondContact O-CG1 3.29Å; K526-I530 PolarHBondContact O-N 2.93Å; L527-I530 PolarHBondContact O-N 2.78Å; L527-I530 VanDerWaalsContact O-N 3.16Å; E528-I530 VanDerWaalsContact C-N 3.28Å; E528-I530 PolarHBondContact O-N 3.35Å
531L49.4Very low49.4Very low110 Ų110124.6 Ų124.658%0.57661%0.606SS**Hα-helixtrans-69.5-46.1175.8-70.5167.8000111.6L527 E528 K533 R534L527-L531 WeakPolarHBondContact O-CG 3.45Å; L527-L531 PolarHBondContact O-N 3.29Å; E528-L531 PolarHBondContact O-N 3.06Å; E528-L531 VanDerWaalsContact O-N 3.16Å; L531-K533 VanDerWaalsContact C-N 3.26Å; L531-K533 PolarHBondContact O-N 2.8Å; L531-R534 PolarHBondContact O-N 2.92Å
532L48Very low49.5Very low113 Ų113123.1 Ų123.159%0.59261%0.605SS**Hα-helixtrans-57-39176.9-71169.7000112.3E528 R534 L535E528-L532 WeakPolarHBondContact O-CG 3.38Å; E528-L532 PolarHBondContact O-N 2.69Å; L532-R534 PolarHBondContact O-N 3.33Å; L532-L535 PolarHBondContact O-N 3.2Å
533K47.6Very low49.4Very low183 Ų183122.7 Ų122.780%0.79661%0.611SS**THydrogen-bonded Turntrans-72.91.5176.4-74.5-178.8177.2179.30115.4N529 L531N529-K533 WeakPolarHBondContact O-CG 3.3Å; N529-K533 PolarHBondContact O-N 2.79Å; L531-K533 VanDerWaalsContact C-N 3.26Å; L531-K533 PolarHBondContact O-N 2.8Å
534R47.5Very low49.5Very low210 Ų210124.9 Ų124.979%0.79263%0.626SS**THydrogen-bonded Turntrans-1182.4178.7-72.5-175173-156.9-1.2114L531 L532L531-R534 PolarHBondContact O-N 2.92Å; L532-R534 PolarHBondContact O-N 3.33Å
535L43.2Very low48.4Very low101 Ų101124.1 Ų124.153%0.52964%0.635SS.*SBendtrans-86.8144.2174.6-66.1173.6000110.7L532 F537L532-L535 PolarHBondContact O-N 3.2Å; L535-F537 HydrophobicContact CB-CD2 4.09Å; L535-F537 PolarHBondContact O-N 2.77Å; L535-F537 VanDerWaalsContact O-N 3.09Å
536P38Very low47.6Very low116 Ų116121.9 Ų121.975%0.75364%0.644SS**SBendtrans-82.924.9-174.336.6-38.8000113.6
537F43.3Very low47.3Very low136 Ų136125 Ų12560%0.59667%0.665SS**  trans-113.7143.2-173.1-54.1-63.1000111L535 F542L535-F537 HydrophobicContact CB-CD2 4.09Å; L535-F537 PolarHBondContact O-N 2.77Å; L535-F537 VanDerWaalsContact O-N 3.09Å; F537-F542 HydrophobicContact CB-CE2 4.41Å
538S57.1Low46.9Very low55 Ų55125.4 Ų125.439%0.38567%0.667SS.*  trans-103.7163.4178.275.40000111.2K540 D541 F542S538-K540 PolarHBondContact O-N 3.23Å; S538-K540 PolarHBondContact OG-N 3.34Å; S538-D541 WeakPolarHBondContact CA-OD2 3.32Å; S538-D541 WeakPolarHBondContact CB-OD2 3.41Å; S538-D541 PolarHBondContact N-OD2 3.09Å; S538-D541 WeakPolarHBondContact O-CB 3.48Å; S538-D541 PolarHBondContact O-N 2.94Å; S538-D541 PolarHBondContact OG-OD2 3.46Å; S538-F542 WeakPolarHBondContact O-CD2 3.3Å
539E47Very low46.4Very low181 Ų181123.2 Ų123.285%0.84667%0.666SS**G310 helixtrans-59.1-19.7174.6-66.1-179.8128.700113.4D541 F542E539-D541 VanDerWaalsContact C-N 3.31Å; E539-F542 PolarHBondContact O-N 3.28Å
540K47.4Very low45.5Very low176 Ų176126.2 Ų126.277%0.76568%0.676SS**G310 helixtrans-71.2-27176.1-61.7-178.3178.5179.90112.7S538 F542 V543S538-K540 PolarHBondContact O-N 3.23Å; S538-K540 PolarHBondContact OG-N 3.34Å; K540-F542 PolarHBondContact O-N 3.07Å; K540-V543 PolarHBondContact O-N 3.01Å
541D44.9Very low44.2Very low105 Ų105127.6 Ų127.656%0.56169%0.685SS**G310 helixtrans-75.7-7.5179.4-53.9-66.2000112.4S538 E539S538-D541 WeakPolarHBondContact CA-OD2 3.32Å; S538-D541 WeakPolarHBondContact CB-OD2 3.41Å; S538-D541 PolarHBondContact N-OD2 3.09Å; S538-D541 WeakPolarHBondContact O-CB 3.48Å; S538-D541 PolarHBondContact O-N 2.94Å; S538-D541 PolarHBondContact OG-OD2 3.46Å; E539-D541 VanDerWaalsContact C-N 3.31Å
542F46.1Very low43.9Very low167 Ų167127 Ų12773%0.73268%0.677SS**G310 helixtrans-100.71.7176.1-66.8-87.6000113.9F537 S538 E539 K540 S544F537-F542 HydrophobicContact CB-CE2 4.41Å; S538-F542 WeakPolarHBondContact O-CD2 3.3Å; E539-F542 PolarHBondContact O-N 3.28Å; K540-F542 PolarHBondContact O-N 3.07Å; F542-S544 PolarHBondContact O-N 3.18Å
543V43.1Very low43.7Very low114 Ų114126.3 Ų126.369%0.69168%0.678SS**SBendtrans-80.6117.8176.5-178.10000109.4K540 G545K540-V543 PolarHBondContact O-N 3.01Å; V543-G545 PolarHBondContact O-N 3.24Å; V543-G545 VanDerWaalsContact O-N 3.16Å
544S49.8Very low43.4Very low121 Ų121127.3 Ų127.385%0.84668%0.677SS**  trans-62.2112.4-175.753.90000113F542F542-S544 PolarHBondContact O-N 3.18Å
545G32.3Very low43Very low70 Ų70124.2 Ų124.272%0.72267%0.671SS**  trans-125.6159166.500000110.7V543V543-G545 PolarHBondContact O-N 3.24Å; V543-G545 VanDerWaalsContact O-N 3.16Å
546G37.6Very low42.9Very low71 Ų71124.6 Ų124.673%0.73267%0.669SS**  trans-72.2-168.3-17600000115.3L548G546-L548 PolarHBondContact O-N 2.93Å
547L48.9Very low42.7Very low179 Ų179124.9 Ų124.994%0.93767%0.668SS**SBendtrans-57.6104.9-179.5-86.7157.6000112.5
548L40.4Very low42.5Very low117 Ų117121.6 Ų121.661%0.61366%0.657SS**SBendtrans69138.9178-53.2175.3000115.1G546 F552G546-L548 PolarHBondContact O-N 2.93Å; L548-F552 HydrophobicContact CD1-CD1 4.47Å
549S40.6Very low41.6Very low78 Ų78123.8 Ų123.855%0.54567%0.671SS.*  trans-76.2146176.464.20000111.4D551 F552S549-D551 PolarHBondContact O-N 2.91Å; S549-F552 WeakPolarHBondContact O-CB 3.42Å; S549-F552 PolarHBondContact O-N 2.67Å
550H38.4Very low40.9Very low154 Ų154120.1 Ų120.171%0.71366%0.663SS**THydrogen-bonded Turntrans-63.8-19-172.5-142.7-45.5000114
551D36.7Very low40.3Very low122 Ų122118 Ų11865%0.65266%0.664SS**THydrogen-bonded Turntrans-77.7-28176.8-63-49.2000113.3S549 V553 R554S549-D551 PolarHBondContact O-N 2.91Å; D551-V553 VanDerWaalsContact C-N 3.33Å; D551-V553 PolarHBondContact O-N 3.16Å; D551-R554 PolarHBondContact O-N 3.48Å
552F44.2Very low39.8Very low97 Ų97121.8 Ų121.843%0.42568%0.676SS.*G310 helixtrans-65.6-38.2178.7-173.5-100.5000111.7L548 S549 R554 Q555 F556L548-F552 HydrophobicContact CD1-CD1 4.47Å; S549-F552 WeakPolarHBondContact O-CB 3.42Å; S549-F552 PolarHBondContact O-N 2.67Å; F552-R554 PolarHBondContact O-N 2.97Å; F552-Q555 PolarHBondContact O-N 3.13Å; F552-F556 HydrophobicContact CE2-CE2 4.29Å; F552-F556 HydrophobicContact CZ-CE2 4.38Å
553V44.6Very low39.2Very low99 Ų99121.1 Ų121.160%0.668%0.68SS**G310 helixtrans-64.8-24.8-178.2-175.50000112.3D551D551-V553 VanDerWaalsContact C-N 3.33Å; D551-V553 PolarHBondContact O-N 3.16Å
554R40.1Very low38.8Very low204 Ų204121.2 Ų121.277%0.7769%0.685SS**G310 helixtrans-83.6-5.9-176.4-75.9-174.7168.1-174.7-2.4115.4D551 F552D551-R554 PolarHBondContact O-N 3.48Å; F552-R554 PolarHBondContact O-N 2.97Å
555Q38.8Very low38.2Very low146 Ų146124.4 Ų124.468%0.68269%0.687SS**G310 helixtrans-94.3-12.3-176.7-70.4-168-11.500115F552F552-Q555 PolarHBondContact O-N 3.13Å
556F42Very low38.6Very low108 Ų108130.1 Ų130.147%0.47470%0.695SS.*  trans-132.361.5-167.5-60.2-71.3000114M198 F552 L558M198-F556 HydrophobicContact CE-CB 4.28Å; M198-F556 HydrophobicContact CE-CD2 4.36Å; M198-F556 HydrophobicContact CE-CG 4.32Å; F552-F556 HydrophobicContact CE2-CE2 4.29Å; F552-F556 HydrophobicContact CZ-CE2 4.38Å; F556-L558 PolarHBondContact O-N 3.38Å
557T33.7Very low38.8Very low122 Ų122135.9 Ų135.975%0.74870%0.703SS**  trans-71.1104.6166.3-450000109.7C559T557-C559 PolarHBondContact O-N 2.96Å
558L39.7Very low38.2Very low67 Ų67135.5 Ų135.535%0.35170%0.702SS.*  trans-79.399.7174.1-66.4177000109.9K201 F556K201-L558 HydrophobicContact CB-CD2 4.38Å; F556-L558 PolarHBondContact O-N 3.38Å
559C36.3Very low38.1Very low101 Ų101140.2 Ų140.268%0.68274%0.735SS**PPolyproline II helixtrans-74.5142.6169.2-65.30000110.6T557 V561T557-C559 PolarHBondContact O-N 2.96Å; C559-V561 PolarHBondContact O-N 2.67Å
560P33.9Very low38Very low104 Ų104143.4 Ų143.468%0.67575%0.745SS**PPolyproline II helixtrans-58.2136.2168.8-22.633.4000111K562P560-K562 PolarHBondContact O-N 2.8Å
561V33.9Very low38Very low131 Ų131142.8 Ų142.879%0.79475%0.746SS**PPolyproline II helixtrans-67.9125.5161.71790000106.7C559C559-V561 PolarHBondContact O-N 2.67Å
562K34.8Very low38.1Very low186 Ų186143.9 Ų143.981%0.80975%0.751SS**PPolyproline II helixtrans-96.4121.3163.6-72.1-169.9173.5-167.60107.3P560P560-K562 PolarHBondContact O-N 2.8Å
563D33.8Very low37.7Very low153 Ų153146.7 Ų146.782%0.81877%0.771SS**PPolyproline II helixtrans-63143.1164.8-58.9-49000109.2
564S35.2Very low37.3Very low115 Ų115149.7 Ų149.780%0.80478%0.781SS**  trans-134.970.2-173.465.60000110.7
565E36.9Very low37.1Very low189 Ų189146.1 Ų146.188%0.88378%0.782SS**  trans-128.7105.1172.6-66.4-167.7158.300110
566E39.3Very low36.9Very low190 Ų190146.1 Ų146.189%0.88879%0.789SS**  trans-174.873.3162.7-106.5-179.5-163.200103.6
567E41.8Very low36.6Very low191 Ų191149 Ų14989%0.89381%0.813SS**  75.1126.292-74.2-151139.200114.4
568D36.2Very low36.8Very low171 Ų171151.3 Ų151.391%0.91482%0.819SS**  trans-80.4125.2178.2-70.3-67.9000112.3
569V39.8Very low36.5Very low217 Ų217158.9 Ų158.9100%1.31586%0.861SS**  trans-143.30156.5-1750000110.8

Retrieved 569 of 569 residues in 859 ms (Link to these results)

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