A0A077ZFA1_TRITR Loading...

DUF2520 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFA1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 631 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
1M94.3Very high96.8Very high56 Ų5657.5 Ų57.528%0.27627%0.274SS..  0-69.40-67.4-178.669.300112.4K3 E4 N5 Y6 V9 I38 Q40M1-K3 PolarHBondContact O-N 2.92Å; M1-E4 CarbonylContact O-C 3.43Å; M1-E4 PolarHBondContact O-N 3.27Å; M1-N5 PolarHBondContact O-N 3.34Å; M1-Y6 PolarHBondContact O-N 3Å; M1-Y6 VanDerWaalsContact O-N 3.11Å; M1-V9 HydrophobicContact CE-CG1 4.15Å; M1-V9 HydrophobicContact CE-CG2 4.29Å; M1-V9 HydrophobicContact CG-CG1 3.81Å; M1-V9 HydrophobicContact CG-CG2 4.46Å; M1-V9 HydrophobicContact SD-CB 4.48Å; M1-V9 HydrophobicContact SD-CG1 4.05Å; M1-V9 HydrophobicContact SD-CG2 3.76Å; M1-I38 WeakPolarHBondContact CE-O 3.33Å; M1-I38 HydrophobicContact SD-CG2 4.24Å; M1-Q40 HydrophobicContact CB-CG 4.44Å; M1-Q40 HydrophobicContact CE-CB 4.03Å
2Q94.9Very high96.9Very high148 Ų14854.1 Ų54.169%0.69226%0.257SS*.G310 helixtrans-54.6-49.6-179.7-72.9175.2-9.100113.5E4 N5 Q40Q2-E4 PolarHBondContact O-N 3.02Å; Q2-N5 PolarHBondContact O-N 2.86Å; Q2-Q40 HydrophobicContact CG-CG 3.57Å
3K94.7Very high97Very high193 Ų19349.9 Ų49.984%0.83924%0.237SC*.G310 helixtrans-55.4-34.1176.6-177.1-176.1172.9-169.50113.5M1M1-K3 PolarHBondContact O-N 2.92Å
4E94.4Very high96.8Very high67 Ų6748.7 Ų48.731%0.31323%0.233SC..G310 helixtrans-1036.9-172.8-60.3-71.1140.200112M1 Q2 Y6 Y142 L143M1-E4 CarbonylContact O-C 3.43Å; M1-E4 PolarHBondContact O-N 3.27Å; Q2-E4 PolarHBondContact O-N 3.02Å; E4-Y6 VanDerWaalsContact C-N 3.34Å; E4-Y6 HydrophobicContact CB-CD2 3.73Å; E4-Y6 HydrophobicContact CB-CE2 3.82Å; E4-Y6 PolarHBondContact O-N 2.63Å; E4-Y142 PolarHBondContact OE2-OH 3.02Å; E4-L143 HydrophobicContact CB-CD2 4.41Å; E4-L143 HydrophobicContact CG-CD2 3.75Å
5N96.4Very high96.4Very high110 Ų11050 Ų5059%0.58824%0.241SC*.THydrogen-bonded Turntrans5638.4179-160.545.7000115M1 Q2 R98M1-N5 PolarHBondContact O-N 3.34Å; Q2-N5 PolarHBondContact O-N 2.86Å; N5-R98 WeakPolarHBondContact O-CD 3.47Å
6Y98.1Very high96Very high3 Ų356.2 Ų56.21%0.01227%0.27CS..  trans-93.6127.3170.7-69.4-67.3000111M1 E4 Q40 R98 G100 N138 A140 L143M1-Y6 PolarHBondContact O-N 3Å; M1-Y6 VanDerWaalsContact O-N 3.11Å; E4-Y6 VanDerWaalsContact C-N 3.34Å; E4-Y6 HydrophobicContact CB-CD2 3.73Å; E4-Y6 HydrophobicContact CB-CE2 3.82Å; E4-Y6 PolarHBondContact O-N 2.63Å; Y6-Q40 PolarHBondContact O-NE2 3.44Å; Y6-R98 HydrophobicContact CD1-CB 4.5Å; Y6-R98 HydrophobicContact CD1-CG 3.82Å; Y6-R98 HydrophobicContact CE1-CG 3.95Å; Y6-G100 VanDerWaalsContact CD1-N 3.33Å; Y6-N138 HydrophobicContact CE1-CB 4.22Å; Y6-A140 HydrophobicContact CE2-CB 4.02Å; Y6-L143 HydrophobicContact CD2-CD1 4.03Å; Y6-L143 HydrophobicContact CE2-CD1 4.15Å
7D98.3Very high95.7Very high48 Ų4855.3 Ų55.326%0.25727%0.265SS..SBendtrans-75.2-34.9173.2-57.8-59.9000111.3H39 Q40 A96 D97 R98D7-H39 CarbonylContact O-C 3.49Å; D7-H39 WeakPolarHBondContact O-CA 3.29Å; D7-Q40 WeakPolarHBondContact O-CB 3.46Å; D7-Q40 PolarHBondContact O-N 3.08Å; D7-A96 HydrophobicContact CB-CB 3.7Å; D7-D97 WeakPolarHBondContact OD2-CA 3.42Å; D7-D97 PolarHBondContact OD2-N 3.13Å; D7-R98 PolarHBondContact N-O 3.39Å; D7-R98 PolarHBondContact OD2-N 2.97Å
8A98.4Very high95.6Very high0 Ų052.4 Ų52.40%025%0.252CS..EExtended strand (participates in β ladder)trans-145.6155.5175.500000111.5I38 L93 I99 G100A8-I38 CarbonylContact C-O 3.56Å; A8-I38 WeakPolarHBondContact CA-O 3.34Å; A8-L93 HydrophobicContact CB-CD2 3.51Å; A8-I99 WeakPolarHBondContact O-CA 3.42Å; A8-G100 PolarHBondContact O-N 3.33Å
9V98.3Very high95.5Very high6 Ų649.8 Ų49.84%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-122.9146.8166-63.30000110.1M1 V37 I38 G100 I102 L143M1-V9 HydrophobicContact CE-CG1 4.15Å; M1-V9 HydrophobicContact CE-CG2 4.29Å; M1-V9 HydrophobicContact CG-CG1 3.81Å; M1-V9 HydrophobicContact CG-CG2 4.46Å; M1-V9 HydrophobicContact SD-CB 4.48Å; M1-V9 HydrophobicContact SD-CG1 4.05Å; M1-V9 HydrophobicContact SD-CG2 3.76Å; V9-V37 WeakPolarHBondContact O-CA 3.44Å; V9-I38 HydrophobicContact CG2-CB 3.91Å; V9-I38 HydrophobicContact CG2-CD1 4.47Å; V9-I38 HydrophobicContact CG2-CG1 4.49Å; V9-I38 PolarHBondContact N-O 3.18Å; V9-I38 PolarHBondContact O-N 3.43Å; V9-G100 CarbonylContact C-O 3.46Å; V9-G100 VanDerWaalsContact CA-O 3.24Å; V9-G100 WeakPolarHBondContact CA-O 3.34Å; V9-I102 HydrophobicContact CB-CD1 4.03Å; V9-I102 HydrophobicContact CG1-CD1 4.34Å; V9-I102 HydrophobicContact CG2-CD1 4.39Å; V9-L143 HydrophobicContact CG1-CD1 4.17Å
10V98.7Very high95.6Very high0 Ų047.5 Ų47.50%023%0.229CC..EExtended strand (participates in β ladder)trans-122.7115.5-179.1179.70000107.9L35 L36 V37 L93 I99 G100 L101 I102 L128V10-L35 HydrophobicContact CG1-CD1 3.43Å; V10-L35 VanDerWaalsContact CG1-CD1 3.43Å; V10-L35 HydrophobicContact CG1-CD2 3.6Å; V10-L35 HydrophobicContact CG1-CG 3.52Å; V10-L36 CarbonylContact C-O 3.44Å; V10-L36 WeakPolarHBondContact CA-O 3.26Å; V10-V37 HydrophobicContact CG1-CG2 4.46Å; V10-V37 HydrophobicContact CG2-CG1 4.43Å; V10-V37 HydrophobicContact CG2-CG2 4.21Å; V10-L93 HydrophobicContact CG2-CD1 3.98Å; V10-L93 HydrophobicContact CG2-CD2 4.27Å; V10-I99 HydrophobicContact CG2-CG2 3.72Å; V10-G100 PolarHBondContact N-O 2.84Å; V10-L101 HydrophobicContact CB-CD2 3.88Å; V10-L101 HydrophobicContact CG1-CD2 4.46Å; V10-L101 HydrophobicContact CG2-CD2 4.23Å; V10-I102 PolarHBondContact O-N 3.21Å; V10-L128 HydrophobicContact CG1-CD1 4.13Å; V10-L128 HydrophobicContact CG1-CD2 4.31Å; V10-L128 HydrophobicContact CG2-CD2 4.22Å
11I98.5Very high95.6Very high1 Ų145.2 Ų45.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-109.5115.2-176.4-56.2162.3000108.2N20 F21 F24 L35 L36 I38 I102 L144I11-N20 HydrophobicContact CG2-CB 3.97Å; I11-F21 HydrophobicContact CG2-CB 4.18Å; I11-F24 HydrophobicContact CD1-CD2 3.69Å; I11-F24 HydrophobicContact CD1-CE2 3.54Å; I11-F24 HydrophobicContact CD1-CZ 4.39Å; I11-L35 CarbonylContact O-C 3.58Å; I11-L35 WeakPolarHBondContact O-CA 3.4Å; I11-L36 HydrophobicContact CB-CB 4.28Å; I11-L36 HydrophobicContact CD1-CD2 4.05Å; I11-L36 HydrophobicContact CD1-CG 4.37Å; I11-L36 PolarHBondContact N-O 3.24Å; I11-L36 PolarHBondContact O-N 2.88Å; I11-I38 HydrophobicContact CD1-CD1 4.07Å; I11-I102 WeakPolarHBondContact CA-O 3.41Å; I11-I102 HydrophobicContact CB-CB 4.37Å; I11-I102 HydrophobicContact CB-CG2 4.47Å; I11-I102 HydrophobicContact CD1-CD1 4.44Å; I11-I102 HydrophobicContact CG1-CB 3.89Å; I11-I102 HydrophobicContact CG1-CD1 3.83Å; I11-I102 HydrophobicContact CG1-CG1 4.36Å; I11-I102 HydrophobicContact CG1-CG2 4.08Å; I11-I102 HydrophobicContact CG2-CG2 4.11Å; I11-L144 HydrophobicContact CD1-CD1 4.47Å
12Y98.2Very high95.7Very high17 Ų1743.8 Ų43.87%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-88.5150.2175.6168.6-101.3000111.2D14 E33 I102 L120 P121 L124Y12-D14 HydrophobicContact CE1-CB 4.45Å; Y12-D14 PolarHBondContact OH-OD2 3.17Å; Y12-E33 HydrophobicContact CE2-CB 4.16Å; Y12-E33 HydrophobicContact CE2-CG 4.13Å; Y12-E33 WeakPolarHBondContact CE2-OE2 3.47Å; Y12-E33 PolarHBondContact OH-OE2 3.42Å; Y12-I102 PolarHBondContact N-O 3.22Å; Y12-L120 HydrophobicContact CD1-CG 4.48Å; Y12-L120 HydrophobicContact CG-CD2 4.43Å; Y12-L120 HydrophobicContact CG-CG 4.23Å; Y12-P121 HydrophobicContact CD2-CG 4.41Å; Y12-P121 HydrophobicContact CE1-CG 4.28Å; Y12-P121 HydrophobicContact CE2-CG 3.65Å; Y12-L124 HydrophobicContact CD2-CD1 3.66Å; Y12-L124 HydrophobicContact CE2-CD1 4.01Å
13A97.5Very high95.8Very high0 Ų039 Ų390%019%0.187CC..EExtended strand (participates in β ladder)trans-148.5145.5173.200000113.1F21 P29 E33 A34A13-F21 HydrophobicContact CB-CB 3.37Å; A13-F21 HydrophobicContact CB-CD1 4.2Å; A13-F21 HydrophobicContact CB-CD2 4.2Å; A13-F21 HydrophobicContact CB-CG 3.7Å; A13-P29 HydrophobicContact CB-CG 4.21Å; A13-E33 CarbonylContact O-C 3.59Å; A13-E33 WeakPolarHBondContact O-CA 3.46Å; A13-A34 PolarHBondContact N-O 3.24Å; A13-A34 PolarHBondContact O-N 3.38Å
14D95.1Very high95.9Very high33 Ų3331.5 Ų31.518%0.17615%0.154CC..  trans-131.4-169.4163.761.348.8000109.8Y12 E16 H17 G18 E33Y12-D14 HydrophobicContact CE1-CB 4.45Å; Y12-D14 PolarHBondContact OH-OD2 3.17Å; D14-E16 VanDerWaalsContact C-N 3.29Å; D14-E16 PolarHBondContact O-N 3.18Å; D14-E16 WeakPolarHBondContact OD1-CA 3.41Å; D14-E16 PolarHBondContact OD1-N 3.29Å; D14-H17 WeakPolarHBondContact OD1-CB 3.33Å; D14-H17 IonicContact OD1-CG 3.52Å; D14-H17 PolarHBondContact OD1-N 3.01Å; D14-H17 IonicContact OD1-ND1 3.73Å; D14-H17 PolarHBondContact OD1-ND1 3.06Å; D14-H17 IonicContact OD2-CG 3.57Å; D14-H17 IonicContact OD2-ND1 2.79Å; D14-H17 PolarHBondContact OD2-ND1 3.12Å; D14-G18 WeakPolarHBondContact O-CA 3.41Å; D14-G18 PolarHBondContact O-N 3.22Å; D14-E33 HydrophobicContact CB-CG 4.45Å
15L90.1Very high96Very high68 Ų6828.3 Ų28.336%0.35614%0.14SC..SBendtrans-62.5-33.9-178.9-174.950.8000114.1R30 R199L15-R30 WeakPolarHBondContact CB-O 3.5Å; L15-R30 WeakPolarHBondContact CD1-O 3.31Å; L15-R199 PolarHBondContact O-NH1 3.32Å; L15-R199 PolarHBondContact O-NH2 3.24Å
16E89.5Confident96Very high149 Ų14924.7 Ų24.770%0.69613%0.128SC*.SBendtrans-93.2-40.2-174.6-171.6161.4-168.400110.3D14D14-E16 VanDerWaalsContact C-N 3.29Å; D14-E16 PolarHBondContact O-N 3.18Å; D14-E16 WeakPolarHBondContact OD1-CA 3.41Å; D14-E16 PolarHBondContact OD1-N 3.29Å
17H90.7Very high95.8Very high41 Ų4125.8 Ų25.819%0.1913%0.133CC..SBendtrans-109.844.4-172.6-53.1110.6000112D14 W104D14-H17 WeakPolarHBondContact OD1-CB 3.33Å; D14-H17 IonicContact OD1-CG 3.52Å; D14-H17 PolarHBondContact OD1-N 3.01Å; D14-H17 IonicContact OD1-ND1 3.73Å; D14-H17 PolarHBondContact OD1-ND1 3.06Å; D14-H17 IonicContact OD2-CG 3.57Å; D14-H17 IonicContact OD2-ND1 2.79Å; D14-H17 PolarHBondContact OD2-ND1 3.12Å; H17-W104 HydrophobicContact CB-CB 3.7Å; H17-W104 HydrophobicContact CB-CG 4.22Å; H17-W104 AromaticContact CD2-CD2 3.61Å; H17-W104 AromaticContact CD2-CE3 3.58Å; H17-W104 AromaticContact CD2-CG 3.72Å; H17-W104 AromaticContact NE2-CE3 4Å
18G94Very high95.6Very high3 Ų325 Ų253%0.03113%0.13CC..  trans-100.3-11.5-170.400000116.8D14 N20 F21 E22D14-G18 WeakPolarHBondContact O-CA 3.41Å; D14-G18 PolarHBondContact O-N 3.22Å; G18-N20 PolarHBondContact O-N 3.25Å; G18-F21 WeakPolarHBondContact O-CB 3.49Å; G18-F21 PolarHBondContact O-N 3.16Å; G18-F21 VanDerWaalsContact O-N 3.13Å; G18-E22 PolarHBondContact O-N 3.35Å
19G94.5Very high95.4Very high4 Ų425 Ų254%0.04113%0.13CC..Hα-helixtrans-67.4-33.6-167.400000114.6F21 E22 Y23 R151 E315G19-F21 VanDerWaalsContact C-N 3.29Å; G19-F21 PolarHBondContact O-N 3.14Å; G19-E22 PolarHBondContact O-N 3.45Å; G19-Y23 WeakPolarHBondContact O-CB 3.27Å; G19-Y23 PolarHBondContact O-N 3.44Å; G19-R151 VanDerWaalsContact C-CZ 3.43Å; G19-E315 VanDerWaalsContact CA-OE1 3.24Å; G19-E315 WeakPolarHBondContact CA-OE1 3.25Å
20N96.5Very high95Very high2 Ų228.8 Ų28.81%0.01114%0.143CC..Hα-helixtrans-61.6-37.7173.8-79-24.9000112.2I11 G18 F24 I102 G103 L144 R151I11-N20 HydrophobicContact CG2-CB 3.97Å; G18-N20 PolarHBondContact O-N 3.25Å; N20-F24 VanDerWaalsContact O-CD2 3.24Å; N20-F24 WeakPolarHBondContact O-CD2 3.32Å; N20-I102 HydrophobicContact CB-CG2 4.39Å; N20-G103 PolarHBondContact ND2-O 3.17Å; N20-L144 HydrophobicContact CB-CD1 3.64Å; N20-R151 WeakPolarHBondContact OD1-CD 3.28Å; N20-R151 PolarHBondContact OD1-NH1 3.18Å
21F97.4Very high94.5Very high0 Ų035.3 Ų35.30%017%0.172CC..Hα-helixtrans-75.8-43.4175.5173.9-85.1000111.7I11 A13 G18 G19 Y23 F24 T25 F27 A34 L36 L46 L48I11-F21 HydrophobicContact CG2-CB 4.18Å; A13-F21 HydrophobicContact CB-CB 3.37Å; A13-F21 HydrophobicContact CB-CD1 4.2Å; A13-F21 HydrophobicContact CB-CD2 4.2Å; A13-F21 HydrophobicContact CB-CG 3.7Å; G18-F21 WeakPolarHBondContact O-CB 3.49Å; G18-F21 PolarHBondContact O-N 3.16Å; G18-F21 VanDerWaalsContact O-N 3.13Å; G19-F21 VanDerWaalsContact C-N 3.29Å; G19-F21 PolarHBondContact O-N 3.14Å; F21-Y23 PolarHBondContact O-N 3.42Å; F21-F24 PolarHBondContact O-N 3.12Å; F21-T25 HydrophobicContact CD1-CG2 4.13Å; F21-T25 VanDerWaalsContact CD1-OG1 3.27Å; F21-T25 WeakPolarHBondContact CD1-OG1 3.43Å; F21-T25 HydrophobicContact CD2-CG2 4.33Å; F21-T25 HydrophobicContact CE1-CG2 3.78Å; F21-T25 WeakPolarHBondContact CE1-OG1 3.48Å; F21-T25 HydrophobicContact CE2-CG2 4.01Å; F21-T25 HydrophobicContact CG-CG2 4.38Å; F21-T25 HydrophobicContact CZ-CG2 3.72Å; F21-T25 WeakPolarHBondContact O-CG2 3.45Å; F21-T25 PolarHBondContact O-N 3.16Å; F21-T25 VanDerWaalsContact O-N 3.11Å; F21-T25 PolarHBondContact O-OG1 3.41Å; F21-F27 VanDerWaalsContact CD1-O 3.32Å; F21-F27 WeakPolarHBondContact CD1-O 3.23Å; F21-F27 HydrophobicContact CE1-CD2 4.12Å; F21-F27 HydrophobicContact CE1-CE1 4.29Å; F21-F27 AromaticContact CE1-CE2 3.69Å; F21-F27 HydrophobicContact CE1-CE2 3.69Å; F21-F27 AromaticContact CE1-CZ 3.79Å; F21-F27 HydrophobicContact CE1-CZ 3.79Å; F21-F27 WeakPolarHBondContact CE1-O 3.44Å; F21-F27 HydrophobicContact CZ-CE1 4.49Å; F21-F27 HydrophobicContact CZ-CE2 4Å; F21-F27 AromaticContact CZ-CZ 3.8Å; F21-F27 HydrophobicContact CZ-CZ 3.8Å; F21-A34 HydrophobicContact CD2-CB 4.22Å; F21-A34 HydrophobicContact CE1-CB 4.25Å; F21-A34 HydrophobicContact CE2-CB 3.68Å; F21-A34 HydrophobicContact CZ-CB 3.7Å; F21-L36 HydrophobicContact CD2-CB 3.64Å; F21-L36 HydrophobicContact CE2-CB 3.75Å; F21-L46 HydrophobicContact CE2-CD2 3.68Å; F21-L46 HydrophobicContact CZ-CD2 3.78Å; F21-L48 HydrophobicContact CZ-CD2 4.04Å
22E96.1Very high94.4Very high27 Ų2735.6 Ų35.613%0.12617%0.173CC..Hα-helixtrans-61.4-35.1179.5-175.8174.7-167.600111.6G18 G19 F24 T25 G26 V28 R60 K237G18-E22 PolarHBondContact O-N 3.35Å; G19-E22 PolarHBondContact O-N 3.45Å; E22-F24 VanDerWaalsContact C-N 3.25Å; E22-F24 PolarHBondContact O-N 3.35Å; E22-T25 PolarHBondContact O-N 3.3Å; E22-G26 WeakPolarHBondContact O-CA 3.46Å; E22-G26 PolarHBondContact O-N 3.42Å; E22-V28 HydrophobicContact CB-CG1 4.02Å; E22-V28 HydrophobicContact CG-CG1 4.34Å; E22-V28 VanDerWaalsContact OE2-CG1 3.32Å; E22-V28 WeakPolarHBondContact OE2-CG1 3.42Å; E22-R60 PolarHBondContact O-NH1 2.98Å; E22-K237 IonicContact OE1-NZ 2.69Å; E22-K237 PolarHBondContact OE1-NZ 2.78Å; E22-K237 IonicContact OE2-NZ 3.49Å; E22-K237 PolarHBondContact OE2-NZ 3.38Å
23Y95.7Very high94.4Very high47 Ų4737 Ų3718%0.18418%0.181CC..Hα-helixtrans-50.1-46.6175.4-179.9-100.2000112.2G19 F21 R60 L150 R151 E158G19-Y23 WeakPolarHBondContact O-CB 3.27Å; G19-Y23 PolarHBondContact O-N 3.44Å; F21-Y23 PolarHBondContact O-N 3.42Å; Y23-R60 PolarHBondContact O-NH1 3.24Å; Y23-L150 HydrophobicContact CD1-CD2 4.44Å; Y23-L150 HydrophobicContact CE1-CD2 3.54Å; Y23-L150 HydrophobicContact CE1-CG 3.81Å; Y23-R151 HydrophobicContact CD1-CG 4.2Å; Y23-R151 HydrophobicContact CD2-CG 3.84Å; Y23-R151 HydrophobicContact CE2-CG 4.17Å; Y23-R151 HydrophobicContact CG-CG 3.85Å; Y23-E158 WeakPolarHBondContact CE2-OE1 3.41Å
24F96.9Very high94.4Very high35 Ų3537 Ų3715%0.15418%0.181CC..Hα-helixtrans-84.7-24.9-179.9-65.2-78.9000114.5I11 N20 F21 E22 L36 I38 R60 I61 L144 L150I11-F24 HydrophobicContact CD1-CD2 3.69Å; I11-F24 HydrophobicContact CD1-CE2 3.54Å; I11-F24 HydrophobicContact CD1-CZ 4.39Å; N20-F24 VanDerWaalsContact O-CD2 3.24Å; N20-F24 WeakPolarHBondContact O-CD2 3.32Å; F21-F24 PolarHBondContact O-N 3.12Å; E22-F24 VanDerWaalsContact C-N 3.25Å; E22-F24 PolarHBondContact O-N 3.35Å; F24-L36 HydrophobicContact CB-CD2 3.49Å; F24-L36 VanDerWaalsContact CB-CD2 3.49Å; F24-L36 HydrophobicContact CD2-CD2 4.07Å; F24-L36 HydrophobicContact CG-CD2 3.92Å; F24-I38 HydrophobicContact CD1-CD1 4.12Å; F24-I38 HydrophobicContact CE1-CD1 4.2Å; F24-I38 HydrophobicContact CG-CD1 4.33Å; F24-I38 HydrophobicContact CZ-CD1 4.49Å; F24-R60 WeakPolarHBondContact O-CB 3.36Å; F24-I61 HydrophobicContact CB-CD1 4.22Å; F24-I61 PolarHBondContact O-N 2.93Å; F24-L144 HydrophobicContact CE2-CD1 3.99Å; F24-L144 HydrophobicContact CE2-CD2 3.86Å; F24-L144 HydrophobicContact CZ-CD2 3.79Å; F24-L150 HydrophobicContact CE1-CD2 4.09Å; F24-L150 HydrophobicContact CZ-CD2 3.86Å
25T97.3Very high94.5Very high1 Ų135.5 Ų35.51%0.00617%0.172CC..Hα-helixtrans-111-26.6-168.162.30000113.3F21 E22 F27 L36 L46 A59 R60F21-T25 HydrophobicContact CD1-CG2 4.13Å; F21-T25 VanDerWaalsContact CD1-OG1 3.27Å; F21-T25 WeakPolarHBondContact CD1-OG1 3.43Å; F21-T25 HydrophobicContact CD2-CG2 4.33Å; F21-T25 HydrophobicContact CE1-CG2 3.78Å; F21-T25 WeakPolarHBondContact CE1-OG1 3.48Å; F21-T25 HydrophobicContact CE2-CG2 4.01Å; F21-T25 HydrophobicContact CG-CG2 4.38Å; F21-T25 HydrophobicContact CZ-CG2 3.72Å; F21-T25 WeakPolarHBondContact O-CG2 3.45Å; F21-T25 PolarHBondContact O-N 3.16Å; F21-T25 VanDerWaalsContact O-N 3.11Å; F21-T25 PolarHBondContact O-OG1 3.41Å; E22-T25 PolarHBondContact O-N 3.3Å; T25-F27 VanDerWaalsContact C-N 3.33Å; T25-F27 HydrophobicContact CG2-CE1 4.49Å; T25-F27 PolarHBondContact OG1-N 3.41Å; T25-F27 PolarHBondContact OG1-O 3.03Å; T25-L36 HydrophobicContact CG2-CD2 4.07Å; T25-L46 HydrophobicContact CG2-CD2 3.61Å; T25-A59 CarbonylContact O-C 3.59Å; T25-A59 WeakPolarHBondContact O-CA 3.5Å; T25-R60 PolarHBondContact O-N 3.42Å
26G95.3Very high94.9Very high33 Ų3332.2 Ų32.234%0.3416%0.155SC..SBendtrans77.913-175.800000114.7E22 R60E22-G26 WeakPolarHBondContact O-CA 3.46Å; E22-G26 PolarHBondContact O-N 3.42Å; G26-R60 VanDerWaalsContact CA-NE 3.32Å
27F95Very high95.4Very high26 Ų2625.1 Ų25.111%0.11412%0.122CC..  trans-146.7156170.869.6-85.7000111.9F21 T25 L48 N52 K55 A59F21-F27 VanDerWaalsContact CD1-O 3.32Å; F21-F27 WeakPolarHBondContact CD1-O 3.23Å; F21-F27 HydrophobicContact CE1-CD2 4.12Å; F21-F27 HydrophobicContact CE1-CE1 4.29Å; F21-F27 AromaticContact CE1-CE2 3.69Å; F21-F27 HydrophobicContact CE1-CE2 3.69Å; F21-F27 AromaticContact CE1-CZ 3.79Å; F21-F27 HydrophobicContact CE1-CZ 3.79Å; F21-F27 WeakPolarHBondContact CE1-O 3.44Å; F21-F27 HydrophobicContact CZ-CE1 4.49Å; F21-F27 HydrophobicContact CZ-CE2 4Å; F21-F27 AromaticContact CZ-CZ 3.8Å; F21-F27 HydrophobicContact CZ-CZ 3.8Å; T25-F27 VanDerWaalsContact C-N 3.33Å; T25-F27 HydrophobicContact CG2-CE1 4.49Å; T25-F27 PolarHBondContact OG1-N 3.41Å; T25-F27 PolarHBondContact OG1-O 3.03Å; F27-L48 HydrophobicContact CE2-CD2 4.38Å; F27-L48 HydrophobicContact CZ-CD1 4.22Å; F27-L48 HydrophobicContact CZ-CD2 4.29Å; F27-N52 HydrophobicContact CE2-CB 4.41Å; F27-K55 HydrophobicContact CD1-CB 4.03Å; F27-K55 HydrophobicContact CD2-CB 4.21Å; F27-K55 HydrophobicContact CD2-CG 4.21Å; F27-K55 HydrophobicContact CE1-CB 3.67Å; F27-K55 HydrophobicContact CE2-CB 3.88Å; F27-K55 HydrophobicContact CE2-CG 4.18Å; F27-K55 HydrophobicContact CG-CB 4.29Å; F27-K55 HydrophobicContact CG-CG 4.47Å; F27-K55 HydrophobicContact CZ-CB 3.6Å; F27-K55 HydrophobicContact CZ-CG 4.4Å; F27-A59 HydrophobicContact CE1-CB 4.48Å
28V93.6Very high95.7Very high31 Ų3124.4 Ų24.419%0.18812%0.12CC..  trans-97.8153.6165.9-66.90000110.5E22 R30E22-V28 HydrophobicContact CB-CG1 4.02Å; E22-V28 HydrophobicContact CG-CG1 4.34Å; E22-V28 VanDerWaalsContact OE2-CG1 3.32Å; E22-V28 WeakPolarHBondContact OE2-CG1 3.42Å; V28-R30 PolarHBondContact O-N 3.44Å
29P94.4Very high95.9Very high0 Ų025.2 Ų25.20%012%0.122CC..  trans-70.11.4-178.630.4-36.9000114.4A13 F31 E32 A34 N52A13-P29 HydrophobicContact CB-CG 4.21Å; P29-F31 PolarHBondContact O-N 3.34Å; P29-F31 VanDerWaalsContact O-N 3.13Å; P29-E32 HydrophobicContact CB-CB 4.49Å; P29-E32 VanDerWaalsContact CB-O 3.32Å; P29-E32 WeakPolarHBondContact CB-O 3.47Å; P29-E32 WeakPolarHBondContact CG-O 3.49Å; P29-E32 PolarHBondContact O-N 2.86Å; P29-E32 VanDerWaalsContact O-N 3.17Å; P29-A34 HydrophobicContact CB-CB 3.86Å; P29-A34 HydrophobicContact CG-CB 4.16Å; P29-N52 PolarHBondContact O-ND2 2.96Å
30R89.1Confident96.1Very high86 Ų8628.4 Ų28.433%0.32514%0.136SC..THydrogen-bonded Turntrans59.3-109.9179.4-65.5174.7-80.5143.85.9110.7L15 V28 E32 E51 N52L15-R30 WeakPolarHBondContact CB-O 3.5Å; L15-R30 WeakPolarHBondContact CD1-O 3.31Å; V28-R30 PolarHBondContact O-N 3.44Å; R30-E32 VanDerWaalsContact C-N 3.35Å; R30-E51 PolarHBondContact NH2-O 3.41Å; R30-N52 PolarHBondContact NH2-OD1 3.38Å; R30-N52 VanDerWaalsContact NH2-OD1 3.08Å
31F89.9Confident96Very high138 Ų13833.2 Ų33.261%0.60517%0.169SC*.THydrogen-bonded Turntrans-92.23-177.2-45.2-73.1000113.8P29 L73P29-F31 PolarHBondContact O-N 3.34Å; P29-F31 VanDerWaalsContact O-N 3.13Å; F31-L73 HydrophobicContact CB-CD1 4.22Å; F31-L73 HydrophobicContact CB-CD2 3.76Å; F31-L73 HydrophobicContact CB-CG 4.11Å; F31-L73 VanDerWaalsContact O-CD2 3.31Å; F31-L73 WeakPolarHBondContact O-CD2 3.48Å
32E95.5Very high95.9Very high7 Ų736.1 Ų36.13%0.03320%0.199CC..SBendtrans-111.5179.5-179.6-65.3-170.2148.300110.4P29 R30 G49 N50 E51 N52 F71 S72P29-E32 HydrophobicContact CB-CB 4.49Å; P29-E32 VanDerWaalsContact CB-O 3.32Å; P29-E32 WeakPolarHBondContact CB-O 3.47Å; P29-E32 WeakPolarHBondContact CG-O 3.49Å; P29-E32 PolarHBondContact O-N 2.86Å; P29-E32 VanDerWaalsContact O-N 3.17Å; R30-E32 VanDerWaalsContact C-N 3.35Å; E32-G49 WeakPolarHBondContact OE2-CA 3.46Å; E32-N50 PolarHBondContact OE1-N 2.88Å; E32-N50 VanDerWaalsContact OE1-N 3.1Å; E32-E51 PolarHBondContact OE1-N 3.21Å; E32-E51 PolarHBondContact OE2-N 2.96Å; E32-N52 PolarHBondContact OE2-N 3.37Å; E32-N52 PolarHBondContact OE2-ND2 2.99Å; E32-F71 WeakPolarHBondContact CA-O 3.42Å; E32-F71 WeakPolarHBondContact CB-O 3.29Å; E32-S72 WeakPolarHBondContact OE1-CA 3.26Å
33E97Very high96Very high47 Ų4738.6 Ų38.622%0.2221%0.21CC..  trans-102164.5168.1-66.9169.2-110.200110.6Y12 A13 D14 F71Y12-E33 HydrophobicContact CE2-CB 4.16Å; Y12-E33 HydrophobicContact CE2-CG 4.13Å; Y12-E33 WeakPolarHBondContact CE2-OE2 3.47Å; Y12-E33 PolarHBondContact OH-OE2 3.42Å; A13-E33 CarbonylContact O-C 3.59Å; A13-E33 WeakPolarHBondContact O-CA 3.46Å; D14-E33 HydrophobicContact CB-CG 4.45Å; E33-F71 HydrophobicContact CB-CB 3.89Å; E33-F71 HydrophobicContact CB-CD1 3.46Å; E33-F71 VanDerWaalsContact CB-CD1 3.46Å; E33-F71 HydrophobicContact CB-CE1 4.05Å; E33-F71 HydrophobicContact CB-CG 3.76Å; E33-F71 HydrophobicContact CG-CD1 4.42Å; E33-F71 PolarHBondContact N-O 3.38Å; E33-F71 WeakPolarHBondContact O-CB 3.46Å
34A98.1Very high96.1Very high0 Ų036.8 Ų36.80%021%0.205CC..EExtended strand (participates in β ladder)trans-148.4156.3174.300000112.5A13 F21 P29 L48A13-A34 PolarHBondContact N-O 3.24Å; A13-A34 PolarHBondContact O-N 3.38Å; F21-A34 HydrophobicContact CD2-CB 4.22Å; F21-A34 HydrophobicContact CE1-CB 4.25Å; F21-A34 HydrophobicContact CE2-CB 3.68Å; F21-A34 HydrophobicContact CZ-CB 3.7Å; P29-A34 HydrophobicContact CB-CB 3.86Å; P29-A34 HydrophobicContact CG-CB 4.16Å; A34-L48 HydrophobicContact CB-CD2 3.59Å
35L98.4Very high96.2Very high0 Ų035.6 Ų35.60%020%0.2CC..EExtended strand (participates in β ladder)trans-130.4132.7170.2-152.872.7000109.8V10 I11 V37 V47 F71 L88 L124V10-L35 HydrophobicContact CG1-CD1 3.43Å; V10-L35 VanDerWaalsContact CG1-CD1 3.43Å; V10-L35 HydrophobicContact CG1-CD2 3.6Å; V10-L35 HydrophobicContact CG1-CG 3.52Å; I11-L35 CarbonylContact O-C 3.58Å; I11-L35 WeakPolarHBondContact O-CA 3.4Å; L35-V37 HydrophobicContact CD2-CG2 4.15Å; L35-V37 HydrophobicContact CG-CG2 4.48Å; L35-V47 HydrophobicContact CB-CB 3.88Å; L35-V47 HydrophobicContact CB-CG2 4.26Å; L35-V47 HydrophobicContact CD2-CG2 4.44Å; L35-V47 PolarHBondContact N-O 3.47Å; L35-V47 PolarHBondContact O-N 3.41Å; L35-F71 HydrophobicContact CB-CE2 3.8Å; L35-F71 HydrophobicContact CB-CZ 4.05Å; L35-L88 HydrophobicContact CD2-CD2 3.59Å; L35-L124 HydrophobicContact CD1-CD1 4.36Å
36L98.6Very high96.2Very high0 Ų035.5 Ų35.50%020%0.199CC..EExtended strand (participates in β ladder)trans-109.8121.516716859.6000108.9V10 I11 F21 F24 T25 I38 A44 Y45 L46 I61V10-L36 CarbonylContact C-O 3.44Å; V10-L36 WeakPolarHBondContact CA-O 3.26Å; I11-L36 HydrophobicContact CB-CB 4.28Å; I11-L36 HydrophobicContact CD1-CD2 4.05Å; I11-L36 HydrophobicContact CD1-CG 4.37Å; I11-L36 PolarHBondContact N-O 3.24Å; I11-L36 PolarHBondContact O-N 2.88Å; F21-L36 HydrophobicContact CD2-CB 3.64Å; F21-L36 HydrophobicContact CE2-CB 3.75Å; F24-L36 HydrophobicContact CB-CD2 3.49Å; F24-L36 VanDerWaalsContact CB-CD2 3.49Å; F24-L36 HydrophobicContact CD2-CD2 4.07Å; F24-L36 HydrophobicContact CG-CD2 3.92Å; T25-L36 HydrophobicContact CG2-CD2 4.07Å; L36-I38 HydrophobicContact CD1-CD1 4.5Å; L36-I38 HydrophobicContact CD1-CG1 3.88Å; L36-I38 HydrophobicContact CD2-CD1 3.92Å; L36-I38 HydrophobicContact CD2-CG1 4.17Å; L36-I38 HydrophobicContact CG-CD1 4.12Å; L36-I38 HydrophobicContact CG-CG1 3.82Å; L36-A44 HydrophobicContact CD1-CB 4.35Å; L36-Y45 WeakPolarHBondContact CA-O 3.44Å; L36-L46 HydrophobicContact CB-CD2 4.08Å; L36-L46 HydrophobicContact CD1-CD2 3.76Å; L36-L46 HydrophobicContact CD1-CG 4.42Å; L36-L46 HydrophobicContact CG-CD2 4.4Å; L36-I61 HydrophobicContact CD1-CD1 3.98Å; L36-I61 HydrophobicContact CD2-CD1 4.18Å
37V98.6Very high96.4Very high0 Ų034 Ų340%018%0.183CC..EExtended strand (participates in β ladder)trans-106.6121.6173.1-1770000108.7V9 V10 L35 A44 Y45 T91 L93V9-V37 WeakPolarHBondContact O-CA 3.44Å; V10-V37 HydrophobicContact CG1-CG2 4.46Å; V10-V37 HydrophobicContact CG2-CG1 4.43Å; V10-V37 HydrophobicContact CG2-CG2 4.21Å; L35-V37 HydrophobicContact CD2-CG2 4.15Å; L35-V37 HydrophobicContact CG-CG2 4.48Å; V37-A44 CarbonylContact O-C 3.57Å; V37-A44 VanDerWaalsContact O-CA 3.23Å; V37-A44 WeakPolarHBondContact O-CA 3.29Å; V37-Y45 PolarHBondContact N-O 3.43Å; V37-Y45 PolarHBondContact O-N 2.61Å; V37-T91 HydrophobicContact CB-CG2 4.33Å; V37-T91 HydrophobicContact CG2-CG2 3.84Å; V37-L93 HydrophobicContact CG1-CD1 4.22Å; V37-L93 HydrophobicContact CG1-CD2 3.7Å; V37-L93 HydrophobicContact CG1-CG 3.98Å; V37-L93 HydrophobicContact CG2-CD1 4.37Å
38I98.3Very high96.5Very high26 Ų2632.7 Ų32.713%0.13318%0.178CC..EExtended strand (participates in β ladder)trans-118125.2177.5-54.1174.1000108.2M1 A8 V9 I11 F24 L36 A44M1-I38 WeakPolarHBondContact CE-O 3.33Å; M1-I38 HydrophobicContact SD-CG2 4.24Å; A8-I38 CarbonylContact C-O 3.56Å; A8-I38 WeakPolarHBondContact CA-O 3.34Å; V9-I38 HydrophobicContact CG2-CB 3.91Å; V9-I38 HydrophobicContact CG2-CD1 4.47Å; V9-I38 HydrophobicContact CG2-CG1 4.49Å; V9-I38 PolarHBondContact N-O 3.18Å; V9-I38 PolarHBondContact O-N 3.43Å; I11-I38 HydrophobicContact CD1-CD1 4.07Å; F24-I38 HydrophobicContact CD1-CD1 4.12Å; F24-I38 HydrophobicContact CE1-CD1 4.2Å; F24-I38 HydrophobicContact CG-CD1 4.33Å; F24-I38 HydrophobicContact CZ-CD1 4.49Å; L36-I38 HydrophobicContact CD1-CD1 4.5Å; L36-I38 HydrophobicContact CD1-CG1 3.88Å; L36-I38 HydrophobicContact CD2-CD1 3.92Å; L36-I38 HydrophobicContact CD2-CG1 4.17Å; L36-I38 HydrophobicContact CG-CD1 4.12Å; L36-I38 HydrophobicContact CG-CG1 3.82Å; I38-A44 HydrophobicContact CG1-CB 4.49Å
39H98.4Very high96.6Very high19 Ų1931.2 Ų31.29%0.08817%0.169CC..EExtended strand (participates in β ladder)trans-91150.4172.3-71.2-94.4000111.1D7 C41 G42 E43 Y45 T91 K92D7-H39 CarbonylContact O-C 3.49Å; D7-H39 WeakPolarHBondContact O-CA 3.29Å; H39-C41 VanDerWaalsContact CB-SG 3.59Å; H39-C41 PolarHBondContact O-N 3.03Å; H39-C41 VanDerWaalsContact O-N 3.14Å; H39-G42 PolarHBondContact O-N 3.29Å; H39-E43 HydrophobicContact CB-CB 4.27Å; H39-E43 PolarHBondContact N-O 3.12Å; H39-Y45 AromaticContact CD2-CD2 3.98Å; H39-Y45 AromaticContact CD2-CE2 3.68Å; H39-Y45 AromaticContact NE2-CE2 3.8Å; H39-T91 PolarHBondContact CE1-O 3.47Å; H39-T91 PolarHBondContact NE2-O 2.92Å; H39-K92 PolarHBondContact CE1-O 3.36Å
40Q96.8Very high96.7Very high71 Ų7133.6 Ų33.633%0.33218%0.182SC..THydrogen-bonded Turntrans-59.7-26.5178.3-164.1-171.196.900112.2M1 Q2 Y6 D7 G42M1-Q40 HydrophobicContact CB-CG 4.44Å; M1-Q40 HydrophobicContact CE-CB 4.03Å; Q2-Q40 HydrophobicContact CG-CG 3.57Å; Y6-Q40 PolarHBondContact O-NE2 3.44Å; D7-Q40 WeakPolarHBondContact O-CB 3.46Å; D7-Q40 PolarHBondContact O-N 3.08Å; Q40-G42 PolarHBondContact O-N 3.24Å
41C95.1Very high96.9Very high104 Ų10433.2 Ų33.270%0.70318%0.183SC*.THydrogen-bonded Turntrans-75.7-2.5175.166.80000114.3H39H39-C41 VanDerWaalsContact CB-SG 3.59Å; H39-C41 PolarHBondContact O-N 3.03Å; H39-C41 VanDerWaalsContact O-N 3.14Å
42G95.3Very high97.2Very high61 Ų6126.7 Ų26.763%0.62916%0.155SC*.SBendtrans91.1-2179.600000115.1H39 Q40H39-G42 PolarHBondContact O-N 3.29Å; Q40-G42 PolarHBondContact O-N 3.24Å
43E97.5Very high97.2Very high78 Ų7829 Ų2936%0.36417%0.167SC..  trans-68.4135.1168.5-70.5-164.9160.400110.5H39 Y45 K92H39-E43 HydrophobicContact CB-CB 4.27Å; H39-E43 PolarHBondContact N-O 3.12Å; E43-Y45 HydrophobicContact CB-CE2 4.1Å; E43-Y45 PolarHBondContact OE2-OH 3.33Å; E43-K92 IonicContact OE1-NZ 2.79Å; E43-K92 PolarHBondContact OE1-NZ 3.05Å; E43-K92 WeakPolarHBondContact OE2-CD 3.16Å; E43-K92 IonicContact OE2-NZ 3.44Å; E43-K92 PolarHBondContact OE2-NZ 3.34Å
44A98.4Very high97.1Very high9 Ų931.3 Ų31.37%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-130.8146.8176.300000111.9L36 V37 I38 I61 A63 K64L36-A44 HydrophobicContact CD1-CB 4.35Å; V37-A44 CarbonylContact O-C 3.57Å; V37-A44 VanDerWaalsContact O-CA 3.23Å; V37-A44 WeakPolarHBondContact O-CA 3.29Å; I38-A44 HydrophobicContact CG1-CB 4.49Å; A44-I61 HydrophobicContact CB-CD1 3.98Å; A44-A63 HydrophobicContact CB-CB 3.9Å; A44-A63 CarbonylContact O-C 3.57Å; A44-A63 VanDerWaalsContact O-CA 3.25Å; A44-A63 WeakPolarHBondContact O-CA 3.29Å; A44-K64 PolarHBondContact O-N 3.3Å
45Y98.7Very high97Very high10 Ų1033.9 Ų33.94%0.03919%0.192CC..EExtended strand (participates in β ladder)trans-132.1132.3-180-57.9-95.6000110.3L36 V37 H39 E43 K64 I66 T91 K92L36-Y45 WeakPolarHBondContact CA-O 3.44Å; V37-Y45 PolarHBondContact N-O 3.43Å; V37-Y45 PolarHBondContact O-N 2.61Å; H39-Y45 AromaticContact CD2-CD2 3.98Å; H39-Y45 AromaticContact CD2-CE2 3.68Å; H39-Y45 AromaticContact NE2-CE2 3.8Å; E43-Y45 HydrophobicContact CB-CE2 4.1Å; E43-Y45 PolarHBondContact OE2-OH 3.33Å; Y45-K64 CarbonylContact C-O 3.11Å; Y45-K64 VanDerWaalsContact CA-O 3.28Å; Y45-K64 WeakPolarHBondContact CA-O 3.5Å; Y45-K64 HydrophobicContact CD1-CB 3.86Å; Y45-K64 HydrophobicContact CD1-CD 4.23Å; Y45-K64 HydrophobicContact CD1-CG 4.44Å; Y45-K64 HydrophobicContact CE1-CB 4.13Å; Y45-K64 HydrophobicContact CE1-CD 3.96Å; Y45-I66 HydrophobicContact CD1-CD1 3.65Å; Y45-I66 HydrophobicContact CD1-CG1 4.44Å; Y45-I66 HydrophobicContact CG-CD1 4.18Å; Y45-T91 WeakPolarHBondContact CE2-O 3.27Å; Y45-T91 HydrophobicContact CG-CG2 4.33Å; Y45-K92 VanDerWaalsContact OH-CD 3.25Å; Y45-K92 WeakPolarHBondContact OH-CD 3.4Å; Y45-K92 WeakPolarHBondContact OH-CE 3.19Å; Y45-K92 PolarHBondContact OH-NZ 2.92Å
46L98.6Very high97Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-105.5109.8173.8-71.7172.2000108.8F21 T25 L36 L48 V56 A59 A63 K64 G65 I66F21-L46 HydrophobicContact CE2-CD2 3.68Å; F21-L46 HydrophobicContact CZ-CD2 3.78Å; T25-L46 HydrophobicContact CG2-CD2 3.61Å; L36-L46 HydrophobicContact CB-CD2 4.08Å; L36-L46 HydrophobicContact CD1-CD2 3.76Å; L36-L46 HydrophobicContact CD1-CG 4.42Å; L36-L46 HydrophobicContact CG-CD2 4.4Å; L46-L48 HydrophobicContact CB-CD1 3.98Å; L46-L48 HydrophobicContact CB-CG 4.11Å; L46-V56 HydrophobicContact CB-CG2 4.25Å; L46-V56 HydrophobicContact CD1-CG2 4.24Å; L46-A59 HydrophobicContact CD1-CB 3.83Å; L46-A63 HydrophobicContact CD1-CB 3.94Å; L46-A63 HydrophobicContact CG-CB 3.75Å; L46-K64 PolarHBondContact N-O 3.02Å; L46-G65 CarbonylContact O-C 3.5Å; L46-G65 WeakPolarHBondContact O-CA 3.42Å; L46-I66 PolarHBondContact O-N 3.07Å
47V98.5Very high97Very high0 Ų040 Ų400%023%0.232CC..EExtended strand (participates in β ladder)trans-94.6113.6175.7-169.20000108L35 I66 M68 F71 I87 T91L35-V47 HydrophobicContact CB-CB 3.88Å; L35-V47 HydrophobicContact CB-CG2 4.26Å; L35-V47 HydrophobicContact CD2-CG2 4.44Å; L35-V47 PolarHBondContact N-O 3.47Å; L35-V47 PolarHBondContact O-N 3.41Å; V47-I66 VanDerWaalsContact CA-O 3.3Å; V47-I66 WeakPolarHBondContact CA-O 3.23Å; V47-I66 HydrophobicContact CG1-CG2 4.29Å; V47-I66 HydrophobicContact CG2-CB 4.28Å; V47-M68 HydrophobicContact CG1-CB 3.4Å; V47-M68 HydrophobicContact CG1-CE 3.84Å; V47-M68 HydrophobicContact CG1-CG 4.31Å; V47-M68 HydrophobicContact CG1-SD 4.12Å; V47-F71 HydrophobicContact CB-CE2 4.24Å; V47-F71 HydrophobicContact CG1-CD2 4.38Å; V47-F71 HydrophobicContact CG1-CE2 3.96Å; V47-I87 HydrophobicContact CG1-CG2 4.32Å; V47-T91 HydrophobicContact CG2-CG2 3.65Å
48L98Very high96.9Very high0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-134.2151.4-165.9-59.7173.5000112F21 F27 A34 L46 N52 L53 V56 I66 M68F21-L48 HydrophobicContact CZ-CD2 4.04Å; F27-L48 HydrophobicContact CE2-CD2 4.38Å; F27-L48 HydrophobicContact CZ-CD1 4.22Å; F27-L48 HydrophobicContact CZ-CD2 4.29Å; A34-L48 HydrophobicContact CB-CD2 3.59Å; L46-L48 HydrophobicContact CB-CD1 3.98Å; L46-L48 HydrophobicContact CB-CG 4.11Å; L48-N52 HydrophobicContact CB-CB 4.25Å; L48-N52 HydrophobicContact CD1-CB 4.42Å; L48-N52 WeakPolarHBondContact CD1-O 3.47Å; L48-N52 HydrophobicContact CD2-CB 4.3Å; L48-L53 HydrophobicContact CB-CD2 4.34Å; L48-L53 HydrophobicContact CB-CG 4.4Å; L48-V56 HydrophobicContact CD1-CG2 3.61Å; L48-I66 PolarHBondContact N-O 3.11Å; L48-M68 PolarHBondContact O-N 3.16Å
49G96.3Very high96.8Very high0 Ų047.4 Ų47.40%027%0.266CS..  trans-70.5-176.616900000113.6E32 E51 L53E32-G49 WeakPolarHBondContact OE2-CA 3.46Å; G49-E51 PolarHBondContact O-N 2.81Å; G49-L53 PolarHBondContact O-N 3.1Å
50N95Very high96.7Very high50 Ų5053.8 Ų53.827%0.26729%0.289SS..THydrogen-bonded Turntrans-59.4-42.6-173-68.3-12.4000112.7E32 H67 S72 P77E32-N50 PolarHBondContact OE1-N 2.88Å; E32-N50 VanDerWaalsContact OE1-N 3.1Å; N50-H67 PolarHBondContact OD1-CE1 3.2Å; N50-H67 PolarHBondContact OD1-NE2 2.86Å; N50-S72 PolarHBondContact N-OG 3.34Å; N50-S72 VanDerWaalsContact N-OG 3.1Å; N50-S72 PolarHBondContact ND2-OG 2.75Å; N50-S72 PolarHBondContact OD1-OG 3.41Å; N50-P77 PolarHBondContact ND2-O 3.26Å; N50-P77 VanDerWaalsContact ND2-O 3.14Å
51E93.9Very high96.7Very high77 Ų7752.8 Ų52.836%0.3629%0.285SS..THydrogen-bonded Turntrans-86.6-16.1-172.3-69.1-165.9-16100114.6R30 E32 G49 N54R30-E51 PolarHBondContact NH2-O 3.41Å; E32-E51 PolarHBondContact OE1-N 3.21Å; E32-E51 PolarHBondContact OE2-N 2.96Å; G49-E51 PolarHBondContact O-N 2.81Å; E51-N54 PolarHBondContact O-OD1 2.91Å
52N95.8Very high96.9Very high1 Ų157.4 Ų57.41%0.00529%0.294CS..THydrogen-bonded Turntrans-103.5-13.6-176.6-69.9-66.6000114.4F27 P29 R30 E32 L48 N54 K55F27-N52 HydrophobicContact CE2-CB 4.41Å; P29-N52 PolarHBondContact O-ND2 2.96Å; R30-N52 PolarHBondContact NH2-OD1 3.38Å; R30-N52 VanDerWaalsContact NH2-OD1 3.08Å; E32-N52 PolarHBondContact OE2-N 3.37Å; E32-N52 PolarHBondContact OE2-ND2 2.99Å; L48-N52 HydrophobicContact CB-CB 4.25Å; L48-N52 HydrophobicContact CD1-CB 4.42Å; L48-N52 WeakPolarHBondContact CD1-O 3.47Å; L48-N52 HydrophobicContact CD2-CB 4.3Å; N52-N54 PolarHBondContact O-N 3.43Å; N52-N54 VanDerWaalsContact O-N 3.08Å; N52-K55 WeakPolarHBondContact O-CB 3.15Å; N52-K55 WeakPolarHBondContact O-CG 3.42Å; N52-K55 PolarHBondContact O-N 2.62Å
53L95.4Very high97Very high57 Ų5755.5 Ų55.530%0.29827%0.272SS..G310 helixtrans-51.1-36175.9-89.9175.3000114.1L48 G49 K55 V56 H67L48-L53 HydrophobicContact CB-CD2 4.34Å; L48-L53 HydrophobicContact CB-CG 4.4Å; G49-L53 PolarHBondContact O-N 3.1Å; L53-K55 PolarHBondContact O-N 2.99Å; L53-K55 VanDerWaalsContact O-N 3.17Å; L53-V56 VanDerWaalsContact O-CG2 3.29Å; L53-V56 WeakPolarHBondContact O-CG2 3.48Å; L53-V56 PolarHBondContact O-N 3.35Å; L53-H67 HydrophobicContact CD1-CB 3.79Å; L53-H67 WeakPolarHBondContact CD1-CD2 3.35Å; L53-H67 HydrophobicContact CD2-CB 4.2Å; L53-H67 HydrophobicContact CG-CB 4.45Å
54N95.7Very high97Very high95 Ų9557.9 Ų57.951%0.50828%0.281SS..G310 helixtrans-68.7-7.9177.966.27.1000113.9E51 N52 P57 F58E51-N54 PolarHBondContact O-OD1 2.91Å; N52-N54 PolarHBondContact O-N 3.43Å; N52-N54 VanDerWaalsContact O-N 3.08Å; N54-P57 WeakPolarHBondContact O-CD 3.35Å; N54-F58 WeakPolarHBondContact O-CD2 3.27Å; N54-F58 WeakPolarHBondContact O-CE2 3.4Å
55K96.6Very high97Very high54 Ų5458.9 Ų58.924%0.23529%0.292CS..G310 helixtrans-84.4-17.7178.4-58.4-63.8178.9-77.20113.4F27 N52 L53 P57 F58 A59F27-K55 HydrophobicContact CD1-CB 4.03Å; F27-K55 HydrophobicContact CD2-CB 4.21Å; F27-K55 HydrophobicContact CD2-CG 4.21Å; F27-K55 HydrophobicContact CE1-CB 3.67Å; F27-K55 HydrophobicContact CE2-CB 3.88Å; F27-K55 HydrophobicContact CE2-CG 4.18Å; F27-K55 HydrophobicContact CG-CB 4.29Å; F27-K55 HydrophobicContact CG-CG 4.47Å; F27-K55 HydrophobicContact CZ-CB 3.6Å; F27-K55 HydrophobicContact CZ-CG 4.4Å; N52-K55 WeakPolarHBondContact O-CB 3.15Å; N52-K55 WeakPolarHBondContact O-CG 3.42Å; N52-K55 PolarHBondContact O-N 2.62Å; L53-K55 PolarHBondContact O-N 2.99Å; L53-K55 VanDerWaalsContact O-N 3.17Å; K55-P57 VanDerWaalsContact C-CD 3.45Å; K55-P57 VanDerWaalsContact C-N 3.34Å; K55-F58 PolarHBondContact O-N 3.37Å; K55-A59 PolarHBondContact O-N 3.17Å
56V97.9Very high97Very high24 Ų2458.6 Ų58.615%0.14529%0.291CS..G310 helixtrans-49.8-45.4-177.8175.40000113.2L46 L48 L53 F58 A59L46-V56 HydrophobicContact CB-CG2 4.25Å; L46-V56 HydrophobicContact CD1-CG2 4.24Å; L48-V56 HydrophobicContact CD1-CG2 3.61Å; L53-V56 VanDerWaalsContact O-CG2 3.29Å; L53-V56 WeakPolarHBondContact O-CG2 3.48Å; L53-V56 PolarHBondContact O-N 3.35Å; V56-F58 PolarHBondContact O-N 3.29Å; V56-A59 PolarHBondContact O-N 2.97Å
57P97.3Very high97Very high105 Ų10561.8 Ų61.868%0.68231%0.306SS*.G310 helixtrans-68.3-17.1-179.8-19.934.5000114.6N54 K55N54-P57 WeakPolarHBondContact O-CD 3.35Å; K55-P57 VanDerWaalsContact C-CD 3.45Å; K55-P57 VanDerWaalsContact C-N 3.34Å
58F96.6Very high96.9Very high166 Ų16661.8 Ų61.873%0.72831%0.306SS*.G310 helixtrans-102.71.6-175.7-52.4-74.6000112.7N54 K55 V56N54-F58 WeakPolarHBondContact O-CD2 3.27Å; N54-F58 WeakPolarHBondContact O-CE2 3.4Å; K55-F58 PolarHBondContact O-N 3.37Å; V56-F58 PolarHBondContact O-N 3.29Å
59A97.5Very high96.9Very high15 Ų1562 Ų6212%0.12431%0.307CS..  trans-65.4143.5178.700000111.3T25 F27 L46 K55 V56 I61T25-A59 CarbonylContact O-C 3.59Å; T25-A59 WeakPolarHBondContact O-CA 3.5Å; F27-A59 HydrophobicContact CE1-CB 4.48Å; L46-A59 HydrophobicContact CD1-CB 3.83Å; K55-A59 PolarHBondContact O-N 3.17Å; V56-A59 PolarHBondContact O-N 2.97Å; A59-I61 PolarHBondContact O-N 3.01Å
60R96.3Very high96.9Very high152 Ų15264.6 Ų64.657%0.57432%0.32SS*.SBendtrans-59.2-31178.3-61.8171.4178.6166.8-0.3112.6E22 Y23 F24 T25 G26E22-R60 PolarHBondContact O-NH1 2.98Å; Y23-R60 PolarHBondContact O-NH1 3.24Å; F24-R60 WeakPolarHBondContact O-CB 3.36Å; T25-R60 PolarHBondContact O-N 3.42Å; G26-R60 VanDerWaalsContact CA-NE 3.32Å
61I97Very high97Very high50 Ų5062.2 Ų62.226%0.25631%0.307SS..SBendtrans-104.7151.4173.566171.2000112F24 L36 A44 A59 A63F24-I61 HydrophobicContact CB-CD1 4.22Å; F24-I61 PolarHBondContact O-N 2.93Å; L36-I61 HydrophobicContact CD1-CD1 3.98Å; L36-I61 HydrophobicContact CD2-CD1 4.18Å; A44-I61 HydrophobicContact CB-CD1 3.98Å; A59-I61 PolarHBondContact O-N 3.01Å; I61-A63 PolarHBondContact O-N 3.23Å
62K97.8Very high97.1Very high202 Ų20259.2 Ų59.288%0.87829%0.294SS*.  trans-71.6116171.1-174.9178.6-178.8-179.60109.9
63A98Very high97Very high21 Ų2161.9 Ų61.917%0.17431%0.308CS..  trans-138158.4177.400000112.1A44 L46 I61A44-A63 HydrophobicContact CB-CB 3.9Å; A44-A63 CarbonylContact O-C 3.57Å; A44-A63 VanDerWaalsContact O-CA 3.25Å; A44-A63 WeakPolarHBondContact O-CA 3.29Å; L46-A63 HydrophobicContact CD1-CB 3.94Å; L46-A63 HydrophobicContact CG-CB 3.75Å; I61-A63 PolarHBondContact O-N 3.23Å
64K98.4Very high96.9Very high128 Ų12864.3 Ų64.356%0.55733%0.328SS*.EExtended strand (participates in β ladder)trans-93.2128.3170.9-174.4-176.7178.4-171.60110.2A44 Y45 L46A44-K64 PolarHBondContact O-N 3.3Å; Y45-K64 CarbonylContact C-O 3.11Å; Y45-K64 VanDerWaalsContact CA-O 3.28Å; Y45-K64 WeakPolarHBondContact CA-O 3.5Å; Y45-K64 HydrophobicContact CD1-CB 3.86Å; Y45-K64 HydrophobicContact CD1-CD 4.23Å; Y45-K64 HydrophobicContact CD1-CG 4.44Å; Y45-K64 HydrophobicContact CE1-CB 4.13Å; Y45-K64 HydrophobicContact CE1-CD 3.96Å; L46-K64 PolarHBondContact N-O 3.02Å
65G98.3Very high96.7Very high30 Ų3068 Ų6831%0.30935%0.347SS..EExtended strand (participates in β ladder)trans-72.6133.9173.900000112.4L46L46-G65 CarbonylContact O-C 3.5Å; L46-G65 WeakPolarHBondContact O-CA 3.42Å
66I98.4Very high96.6Very high4 Ų469.4 Ų69.42%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-125.8130.6170.2-67.7167.1000107.3Y45 L46 V47 L48 I87 Q90 T91Y45-I66 HydrophobicContact CD1-CD1 3.65Å; Y45-I66 HydrophobicContact CD1-CG1 4.44Å; Y45-I66 HydrophobicContact CG-CD1 4.18Å; L46-I66 PolarHBondContact O-N 3.07Å; V47-I66 VanDerWaalsContact CA-O 3.3Å; V47-I66 WeakPolarHBondContact CA-O 3.23Å; V47-I66 HydrophobicContact CG1-CG2 4.29Å; V47-I66 HydrophobicContact CG2-CB 4.28Å; L48-I66 PolarHBondContact N-O 3.11Å; I66-I87 HydrophobicContact CG2-CG2 3.58Å; I66-Q90 HydrophobicContact CD1-CB 3.73Å; I66-Q90 HydrophobicContact CG1-CB 4.28Å; I66-Q90 HydrophobicContact CG2-CB 4.45Å; I66-T91 HydrophobicContact CD1-CG2 3.5Å; I66-T91 VanDerWaalsContact CD1-CG2 3.5Å
67H97.7Very high96.3Very high67 Ų6771.5 Ų71.531%0.3137%0.369SS..EExtended strand (participates in β ladder)trans-83.1124.7178-174.8-148.3000110.5N50 L53 I87N50-H67 PolarHBondContact OD1-CE1 3.2Å; N50-H67 PolarHBondContact OD1-NE2 2.86Å; L53-H67 HydrophobicContact CD1-CB 3.79Å; L53-H67 WeakPolarHBondContact CD1-CD2 3.35Å; L53-H67 HydrophobicContact CD2-CB 4.2Å; L53-H67 HydrophobicContact CG-CB 4.45Å; H67-I87 WeakPolarHBondContact O-CG2 3.28Å
68M97.6Very high96.1Very high0 Ų071.9 Ų71.90%036%0.363CS..  trans-126.892.5167.4-175.8177-76.700108.5V47 L48 H70 F71 V84 I87 L88 L124V47-M68 HydrophobicContact CG1-CB 3.4Å; V47-M68 HydrophobicContact CG1-CE 3.84Å; V47-M68 HydrophobicContact CG1-CG 4.31Å; V47-M68 HydrophobicContact CG1-SD 4.12Å; L48-M68 PolarHBondContact O-N 3.16Å; M68-H70 HydrophobicContact CG-CB 3.87Å; M68-H70 PolarHBondContact O-N 2.62Å; M68-H70 HydrophobicContact SD-CB 4.43Å; M68-F71 HydrophobicContact CB-CD2 4.06Å; M68-F71 HydrophobicContact CB-CE2 4.45Å; M68-F71 HydrophobicContact CG-CD2 4.27Å; M68-F71 HydrophobicContact CG-CG 4.4Å; M68-F71 PolarHBondContact O-N 3.04Å; M68-F71 HydrophobicContact SD-CD1 4.18Å; M68-F71 HydrophobicContact SD-CD2 3.97Å; M68-F71 HydrophobicContact SD-CE1 3.93Å; M68-F71 HydrophobicContact SD-CE2 3.68Å; M68-F71 HydrophobicContact SD-CG 4.21Å; M68-F71 HydrophobicContact SD-CZ 3.67Å; M68-V84 HydrophobicContact CE-CG1 4.06Å; M68-I87 HydrophobicContact CB-CG2 4Å; M68-I87 HydrophobicContact CE-CB 3.91Å; M68-I87 HydrophobicContact CE-CG2 3.62Å; M68-I87 HydrophobicContact CG-CD1 4.2Å; M68-I87 HydrophobicContact CG-CG2 4.35Å; M68-L88 HydrophobicContact CE-CD2 3.79Å; M68-L88 HydrophobicContact CE-CG 3.79Å; M68-L124 HydrophobicContact SD-CD2 4.31Å
69P96.6Very high95.7Very high4 Ų471.9 Ų71.93%0.02637%0.365CS..G310 helixtrans-64.2-15.8-177.325.5-34.3000113.1F71 S72 M78 T80P69-F71 PolarHBondContact O-N 3.31Å; P69-S72 WeakPolarHBondContact CA-OG 3.26Å; P69-S72 WeakPolarHBondContact O-CB 3.3Å; P69-S72 PolarHBondContact O-N 3.28Å; P69-S72 PolarHBondContact O-OG 2.83Å; P69-M78 HydrophobicContact CB-CG 4.07Å; P69-M78 HydrophobicContact CG-CG 3.96Å; P69-T80 HydrophobicContact CG-CG2 3.46Å; P69-T80 VanDerWaalsContact CG-CG2 3.46Å
70H96.5Very high95.6Very high55 Ų5573.4 Ų73.426%0.25537%0.373SS..G310 helixtrans-58.6-24.8171.4-55.978.6000113.4M68 S72 V84M68-H70 HydrophobicContact CG-CB 3.87Å; M68-H70 PolarHBondContact O-N 2.62Å; M68-H70 HydrophobicContact SD-CB 4.43Å; H70-S72 VanDerWaalsContact C-N 3.3Å; H70-V84 HydrophobicContact CB-CG2 4.48Å
71F96.9Very high95.6Very high0 Ų073 Ų730%039%0.387CS..G310 helixtrans-82.9-4.3173.5-72.5-25000114.3E32 E33 L35 V47 M68 P69 F123 L124E32-F71 WeakPolarHBondContact CA-O 3.42Å; E32-F71 WeakPolarHBondContact CB-O 3.29Å; E33-F71 HydrophobicContact CB-CB 3.89Å; E33-F71 HydrophobicContact CB-CD1 3.46Å; E33-F71 VanDerWaalsContact CB-CD1 3.46Å; E33-F71 HydrophobicContact CB-CE1 4.05Å; E33-F71 HydrophobicContact CB-CG 3.76Å; E33-F71 HydrophobicContact CG-CD1 4.42Å; E33-F71 PolarHBondContact N-O 3.38Å; E33-F71 WeakPolarHBondContact O-CB 3.46Å; L35-F71 HydrophobicContact CB-CE2 3.8Å; L35-F71 HydrophobicContact CB-CZ 4.05Å; V47-F71 HydrophobicContact CB-CE2 4.24Å; V47-F71 HydrophobicContact CG1-CD2 4.38Å; V47-F71 HydrophobicContact CG1-CE2 3.96Å; M68-F71 HydrophobicContact CB-CD2 4.06Å; M68-F71 HydrophobicContact CB-CE2 4.45Å; M68-F71 HydrophobicContact CG-CD2 4.27Å; M68-F71 HydrophobicContact CG-CG 4.4Å; M68-F71 PolarHBondContact O-N 3.04Å; M68-F71 HydrophobicContact SD-CD1 4.18Å; M68-F71 HydrophobicContact SD-CD2 3.97Å; M68-F71 HydrophobicContact SD-CE1 3.93Å; M68-F71 HydrophobicContact SD-CE2 3.68Å; M68-F71 HydrophobicContact SD-CG 4.21Å; M68-F71 HydrophobicContact SD-CZ 3.67Å; P69-F71 PolarHBondContact O-N 3.31Å; F71-F123 HydrophobicContact CD1-CZ 4.3Å; F71-F123 HydrophobicContact CE1-CE2 4.46Å; F71-F123 AromaticContact CE1-CZ 3.99Å; F71-F123 HydrophobicContact CE1-CZ 3.99Å; F71-L124 HydrophobicContact CE1-CD1 3.67Å; F71-L124 HydrophobicContact CE1-CD2 3.61Å; F71-L124 HydrophobicContact CE1-CG 4.05Å; F71-L124 HydrophobicContact CZ-CD1 3.77Å; F71-L124 HydrophobicContact CZ-CD2 3.65Å; F71-L124 HydrophobicContact CZ-CG 4.3Å
72S96.2Very high95.6Very high14 Ų1473.6 Ų73.610%0.09839%0.391CS..SBendtrans-75163.8179.1-420000110.6E32 N50 P69 H70E32-S72 WeakPolarHBondContact OE1-CA 3.26Å; N50-S72 PolarHBondContact N-OG 3.34Å; N50-S72 VanDerWaalsContact N-OG 3.1Å; N50-S72 PolarHBondContact ND2-OG 2.75Å; N50-S72 PolarHBondContact OD1-OG 3.41Å; P69-S72 WeakPolarHBondContact CA-OG 3.26Å; P69-S72 WeakPolarHBondContact O-CB 3.3Å; P69-S72 PolarHBondContact O-N 3.28Å; P69-S72 PolarHBondContact O-OG 2.83Å; H70-S72 VanDerWaalsContact C-N 3.3Å
73L94.2Very high95.6Very high56 Ų5667.4 Ų67.429%0.29337%0.37SS..SBendtrans-47.6148.1172.9-80165.4000112.7F31 N75 Q76F31-L73 HydrophobicContact CB-CD1 4.22Å; F31-L73 HydrophobicContact CB-CD2 3.76Å; F31-L73 HydrophobicContact CB-CG 4.11Å; F31-L73 VanDerWaalsContact O-CD2 3.31Å; F31-L73 WeakPolarHBondContact O-CD2 3.48Å; L73-N75 PolarHBondContact O-N 2.85Å; L73-Q76 HydrophobicContact CB-CG 3.67Å; L73-Q76 WeakPolarHBondContact O-CB 3.47Å; L73-Q76 WeakPolarHBondContact O-CG 3.48Å; L73-Q76 PolarHBondContact O-N 3.04Å
74P92.8Very high95.6Very high109 Ų10967.3 Ų67.371%0.70837%0.367SS*.THydrogen-bonded Turntrans-50.4133.9176.6-27.234.6000112Q76P74-Q76 PolarHBondContact O-N 2.71Å
75N92.9Very high95.6Very high173 Ų17362 Ų6293%0.92535%0.345SS*.THydrogen-bonded Turntrans63.89.9179.9-56.698.4000116.3L73L73-N75 PolarHBondContact O-N 2.85Å
76Q93.4Very high95.6Very high83 Ų8364.7 Ų64.739%0.38835%0.35SS..SBendtrans-63.7157.1162-75.9-69.1-19.600110.9L73 P74 M78L73-Q76 HydrophobicContact CB-CG 3.67Å; L73-Q76 WeakPolarHBondContact O-CB 3.47Å; L73-Q76 WeakPolarHBondContact O-CG 3.48Å; L73-Q76 PolarHBondContact O-N 3.04Å; P74-Q76 PolarHBondContact O-N 2.71Å; Q76-M78 PolarHBondContact O-N 3.32Å; Q76-M78 VanDerWaalsContact O-N 3.16Å
77P91.7Very high95.6Very high67 Ų6764.5 Ų64.544%0.43535%0.349SS..  trans-54.7122.9177.1-25.534.9000111.7N50 E79N50-P77 PolarHBondContact ND2-O 3.26Å; N50-P77 VanDerWaalsContact ND2-O 3.14Å; P77-E79 HydrophobicContact CB-CG 4.04Å
78M93.7Very high95.6Very high113 Ų11361.3 Ų61.356%0.55733%0.334SS*.  trans-10355.9175.9-158.9-176.2-46.700110.5P69 Q76 T80P69-M78 HydrophobicContact CB-CG 4.07Å; P69-M78 HydrophobicContact CG-CG 3.96Å; Q76-M78 PolarHBondContact O-N 3.32Å; Q76-M78 VanDerWaalsContact O-N 3.16Å; M78-T80 VanDerWaalsContact C-N 3.32Å; M78-T80 PolarHBondContact O-N 3.42Å
79E88.7Confident95.6Very high167 Ų16765.6 Ų65.678%0.7835%0.353SS*.  trans-79.675.7-173.9-64.5-176.9-177.600111.5P77P77-E79 HydrophobicContact CB-CG 4.04Å
80T94.7Very high95.7Very high47 Ų4769.5 Ų69.529%0.28837%0.371SS..  trans-142.6143.6172.2-179.70000109.9P69 M78 L82 I87P69-T80 HydrophobicContact CG-CG2 3.46Å; P69-T80 VanDerWaalsContact CG-CG2 3.46Å; M78-T80 VanDerWaalsContact C-N 3.32Å; M78-T80 PolarHBondContact O-N 3.42Å; T80-L82 PolarHBondContact OG1-N 3.46Å; T80-I87 HydrophobicContact CG2-CD1 4.37Å
81T95.4Very high95.8Very high142 Ų14266.9 Ų66.987%0.87136%0.359SS*.SBendtrans-91-5.5169.560.70000112.4
82L97.7Very high95.8Very high63 Ų6370.5 Ų70.533%0.3337%0.374SS..SBendtrans-94136.3-177.2-58.1179.1000110.8T80 E86 I87T80-L82 PolarHBondContact OG1-N 3.46Å; L82-E86 HydrophobicContact CB-CB 4.1Å; L82-E86 HydrophobicContact CD2-CB 4.24Å; L82-I87 HydrophobicContact CB-CD1 4.32Å; L82-I87 HydrophobicContact CB-CG1 3.65Å; L82-I87 HydrophobicContact CD1-CG1 4.28Å
83T97.7Very high95.9Very high73 Ų7369.9 Ų69.945%0.44837%0.37SS..  trans-71.1162.2169.962.20000111.4E86 I87T83-E86 WeakPolarHBondContact CB-OE2 3.29Å; T83-E86 WeakPolarHBondContact CG2-OE2 3.37Å; T83-E86 PolarHBondContact N-OE2 3.46Å; T83-E86 PolarHBondContact O-N 3.39Å; T83-E86 VanDerWaalsContact OG1-CD 3.24Å; T83-E86 VanDerWaalsContact OG1-CG 3.28Å; T83-E86 WeakPolarHBondContact OG1-CG 3.46Å; T83-E86 PolarHBondContact OG1-OE2 3.38Å; T83-I87 WeakPolarHBondContact O-CG1 3.43Å; T83-I87 PolarHBondContact O-N 3.48Å
84V98Very high95.9Very high18 Ų1872.3 Ų72.311%0.10938%0.38CS..Hα-helixtrans-51.1-49176.4173.30000112.5M68 H70 E86 I87 L88 F123 L124M68-V84 HydrophobicContact CE-CG1 4.06Å; H70-V84 HydrophobicContact CB-CG2 4.48Å; V84-E86 VanDerWaalsContact C-N 3.35Å; V84-E86 PolarHBondContact O-N 3.02Å; V84-I87 PolarHBondContact O-N 3.46Å; V84-L88 HydrophobicContact CG1-CD1 3.81Å; V84-L88 HydrophobicContact CG1-CG 4.38Å; V84-L88 VanDerWaalsContact O-CG 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.38Å; V84-L88 PolarHBondContact O-N 3.09Å; V84-F123 HydrophobicContact CG1-CD2 4.43Å; V84-F123 HydrophobicContact CG2-CD2 4.3Å; V84-F123 HydrophobicContact CG2-CE2 4.47Å; V84-L124 HydrophobicContact CG1-CD2 4.43Å
85P98.3Very high95.8Very high16 Ų1674 Ų7410%0.10438%0.378CS..Hα-helixtrans-59.5-40175.7-21.530.5000113.8L88 K89 Q130P85-L88 PolarHBondContact O-N 3.39Å; P85-K89 WeakPolarHBondContact O-CG 3.35Å; P85-K89 PolarHBondContact O-N 3.25Å; P85-Q130 HydrophobicContact CB-CB 3.81Å; P85-Q130 HydrophobicContact CG-CB 3.71Å; P85-Q130 HydrophobicContact CG-CG 4.48Å
86E98.4Very high95.9Very high87 Ų8765.9 Ų65.941%0.40734%0.336SS..Hα-helixtrans-68.3-35.9179.6-70.7167.214000112.3L82 T83 V84L82-E86 HydrophobicContact CB-CB 4.1Å; L82-E86 HydrophobicContact CD2-CB 4.24Å; T83-E86 WeakPolarHBondContact CB-OE2 3.29Å; T83-E86 WeakPolarHBondContact CG2-OE2 3.37Å; T83-E86 PolarHBondContact N-OE2 3.46Å; T83-E86 PolarHBondContact O-N 3.39Å; T83-E86 VanDerWaalsContact OG1-CD 3.24Å; T83-E86 VanDerWaalsContact OG1-CG 3.28Å; T83-E86 WeakPolarHBondContact OG1-CG 3.46Å; T83-E86 PolarHBondContact OG1-OE2 3.38Å; V84-E86 VanDerWaalsContact C-N 3.35Å; V84-E86 PolarHBondContact O-N 3.02Å
87I98.4Very high96.1Very high0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-65.2-47.1171.7-63171000109.8V47 I66 H67 M68 T80 L82 T83 V84 K89 Q90V47-I87 HydrophobicContact CG1-CG2 4.32Å; I66-I87 HydrophobicContact CG2-CG2 3.58Å; H67-I87 WeakPolarHBondContact O-CG2 3.28Å; M68-I87 HydrophobicContact CB-CG2 4Å; M68-I87 HydrophobicContact CE-CB 3.91Å; M68-I87 HydrophobicContact CE-CG2 3.62Å; M68-I87 HydrophobicContact CG-CD1 4.2Å; M68-I87 HydrophobicContact CG-CG2 4.35Å; T80-I87 HydrophobicContact CG2-CD1 4.37Å; L82-I87 HydrophobicContact CB-CD1 4.32Å; L82-I87 HydrophobicContact CB-CG1 3.65Å; L82-I87 HydrophobicContact CD1-CG1 4.28Å; T83-I87 WeakPolarHBondContact O-CG1 3.43Å; T83-I87 PolarHBondContact O-N 3.48Å; V84-I87 PolarHBondContact O-N 3.46Å; I87-K89 VanDerWaalsContact C-N 3.3Å; I87-K89 PolarHBondContact O-N 3.37Å; I87-Q90 VanDerWaalsContact O-CB 3.29Å; I87-Q90 WeakPolarHBondContact O-CB 3.35Å; I87-Q90 PolarHBondContact O-N 2.97Å; I87-Q90 VanDerWaalsContact O-N 3.08Å
88L98.5Very high96.4Very high0 Ų068.3 Ų68.30%034%0.341CS..Hα-helixtrans-62.9-33.9178.8-69.2170.4000112.4L35 M68 V84 P85 Q90 T91 G127 L128 A131L35-L88 HydrophobicContact CD2-CD2 3.59Å; M68-L88 HydrophobicContact CE-CD2 3.79Å; M68-L88 HydrophobicContact CE-CG 3.79Å; V84-L88 HydrophobicContact CG1-CD1 3.81Å; V84-L88 HydrophobicContact CG1-CG 4.38Å; V84-L88 VanDerWaalsContact O-CG 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.38Å; V84-L88 PolarHBondContact O-N 3.09Å; P85-L88 PolarHBondContact O-N 3.39Å; L88-Q90 PolarHBondContact O-N 3.47Å; L88-T91 WeakPolarHBondContact O-CB 3.42Å; L88-T91 WeakPolarHBondContact O-CG2 3.13Å; L88-T91 PolarHBondContact O-N 2.91Å; L88-T91 PolarHBondContact O-OG1 3.35Å; L88-G127 VanDerWaalsContact CD1-C 3.45Å; L88-L128 HydrophobicContact CD1-CD2 4Å; L88-L128 HydrophobicContact CD1-CG 3.97Å; L88-L128 HydrophobicContact CD2-CD2 4.15Å; L88-A131 HydrophobicContact CB-CB 3.77Å
89K98Very high96.6Very high91 Ų9163 Ų6340%0.39632%0.315SS..Hα-helixtrans-58.8-27.6173.8-78.7176.5-177.2-177.10113.4P85 I87 T91 K92 A131P85-K89 WeakPolarHBondContact O-CG 3.35Å; P85-K89 PolarHBondContact O-N 3.25Å; I87-K89 VanDerWaalsContact C-N 3.3Å; I87-K89 PolarHBondContact O-N 3.37Å; K89-T91 PolarHBondContact O-N 2.76Å; K89-T91 VanDerWaalsContact O-N 3.12Å; K89-K92 PolarHBondContact O-N 3.44Å; K89-A131 HydrophobicContact CG-CB 4Å
90Q98.1Very high97.1Very high85 Ų8555 Ų5540%0.39728%0.278SS..THydrogen-bonded Turntrans-64.5-16.4175.5-61.118056.500113.2I66 I87 L88 K92I66-Q90 HydrophobicContact CD1-CB 3.73Å; I66-Q90 HydrophobicContact CG1-CB 4.28Å; I66-Q90 HydrophobicContact CG2-CB 4.45Å; I87-Q90 VanDerWaalsContact O-CB 3.29Å; I87-Q90 WeakPolarHBondContact O-CB 3.35Å; I87-Q90 PolarHBondContact O-N 2.97Å; I87-Q90 VanDerWaalsContact O-N 3.08Å; L88-Q90 PolarHBondContact O-N 3.47Å; Q90-K92 VanDerWaalsContact C-N 3.26Å
91T98.1Very high97.3Very high0 Ų052.9 Ų52.90%027%0.265CS..THydrogen-bonded Turntrans-82.31.8173.471.90000113V37 H39 Y45 V47 I66 L88 K89 L93V37-T91 HydrophobicContact CB-CG2 4.33Å; V37-T91 HydrophobicContact CG2-CG2 3.84Å; H39-T91 PolarHBondContact CE1-O 3.47Å; H39-T91 PolarHBondContact NE2-O 2.92Å; Y45-T91 WeakPolarHBondContact CE2-O 3.27Å; Y45-T91 HydrophobicContact CG-CG2 4.33Å; V47-T91 HydrophobicContact CG2-CG2 3.65Å; I66-T91 HydrophobicContact CD1-CG2 3.5Å; I66-T91 VanDerWaalsContact CD1-CG2 3.5Å; L88-T91 WeakPolarHBondContact O-CB 3.42Å; L88-T91 WeakPolarHBondContact O-CG2 3.13Å; L88-T91 PolarHBondContact O-N 2.91Å; L88-T91 PolarHBondContact O-OG1 3.35Å; K89-T91 PolarHBondContact O-N 2.76Å; K89-T91 VanDerWaalsContact O-N 3.12Å; T91-L93 VanDerWaalsContact C-N 3.3Å; T91-L93 PolarHBondContact O-N 3.36Å; T91-L93 WeakPolarHBondContact OG1-CD1 3.44Å; T91-L93 VanDerWaalsContact OG1-CG 3.3Å; T91-L93 WeakPolarHBondContact OG1-CG 3.42Å
92K97.4Very high97.4Very high76 Ų7646.2 Ų46.233%0.3322%0.224SC..THydrogen-bonded Turntrans62.623.7-179.8-52-175.8-173.1164.10116H39 E43 Y45 K89 Q90 E94H39-K92 PolarHBondContact CE1-O 3.36Å; E43-K92 IonicContact OE1-NZ 2.79Å; E43-K92 PolarHBondContact OE1-NZ 3.05Å; E43-K92 WeakPolarHBondContact OE2-CD 3.16Å; E43-K92 IonicContact OE2-NZ 3.44Å; E43-K92 PolarHBondContact OE2-NZ 3.34Å; Y45-K92 VanDerWaalsContact OH-CD 3.25Å; Y45-K92 WeakPolarHBondContact OH-CD 3.4Å; Y45-K92 WeakPolarHBondContact OH-CE 3.19Å; Y45-K92 PolarHBondContact OH-NZ 2.92Å; K89-K92 PolarHBondContact O-N 3.44Å; Q90-K92 VanDerWaalsContact C-N 3.26Å; K92-E94 PolarHBondContact O-N 2.9Å
93L97.2Very high97.3Very high1 Ų143.3 Ų43.31%0.00521%0.209CC..G310 helixtrans-66.5-17.6177.3-73.9170.4000114.2A8 V10 V37 T91 Q95 A96 I99 L128 A132A8-L93 HydrophobicContact CB-CD2 3.51Å; V10-L93 HydrophobicContact CG2-CD1 3.98Å; V10-L93 HydrophobicContact CG2-CD2 4.27Å; V37-L93 HydrophobicContact CG1-CD1 4.22Å; V37-L93 HydrophobicContact CG1-CD2 3.7Å; V37-L93 HydrophobicContact CG1-CG 3.98Å; V37-L93 HydrophobicContact CG2-CD1 4.37Å; T91-L93 VanDerWaalsContact C-N 3.3Å; T91-L93 PolarHBondContact O-N 3.36Å; T91-L93 WeakPolarHBondContact OG1-CD1 3.44Å; T91-L93 VanDerWaalsContact OG1-CG 3.3Å; T91-L93 WeakPolarHBondContact OG1-CG 3.42Å; L93-Q95 PolarHBondContact O-N 3.38Å; L93-Q95 VanDerWaalsContact O-N 3.09Å; L93-A96 WeakPolarHBondContact O-CB 3.38Å; L93-A96 PolarHBondContact O-N 2.95Å; L93-A96 VanDerWaalsContact O-N 3.09Å; L93-I99 HydrophobicContact CB-CD1 4.15Å; L93-I99 HydrophobicContact CD2-CD1 3.9Å; L93-I99 HydrophobicContact CD2-CG1 4.17Å; L93-I99 HydrophobicContact CD2-CG2 4.36Å; L93-I99 HydrophobicContact CG-CD1 4.47Å; L93-L128 HydrophobicContact CD1-CD2 3.64Å; L93-A132 HydrophobicContact CB-CB 4.24Å; L93-A132 WeakPolarHBondContact O-CB 3.33Å
94E95.2Very high97Very high107 Ų10743.1 Ų43.150%0.520%0.2SC..G310 helixtrans-60.7-19.4179.969.7-175.6176.400114.1K92K92-E94 PolarHBondContact O-N 2.9Å
95Q89.5Confident96.8Very high145 Ų14546.1 Ų46.168%0.67821%0.212SC*.G310 helixtrans-93.6-6.7-178.8-56.6179.47.800112.8L93L93-Q95 PolarHBondContact O-N 3.38Å; L93-Q95 VanDerWaalsContact O-N 3.09Å
96A96.3Very high96.5Very high3 Ų348 Ų483%0.02522%0.221CC..  trans-84.7134.3-179.200000110.6D7 L93 I99 A135D7-A96 HydrophobicContact CB-CB 3.7Å; L93-A96 WeakPolarHBondContact O-CB 3.38Å; L93-A96 PolarHBondContact O-N 2.95Å; L93-A96 VanDerWaalsContact O-N 3.09Å; A96-I99 HydrophobicContact CB-CD1 4.05Å; A96-I99 HydrophobicContact CB-CG1 3.65Å; A96-A135 WeakPolarHBondContact O-CB 3.23Å
97D97Very high96.4Very high119 Ų11946.7 Ų46.764%0.63621%0.214SC*.SBendtrans-85.8-31.6172.2-69.2-38.2000110.8D7 A135 A136D7-D97 WeakPolarHBondContact OD2-CA 3.42Å; D7-D97 PolarHBondContact OD2-N 3.13Å; D97-A135 CarbonylContact O-C 3.58Å; D97-A135 WeakPolarHBondContact O-CA 3.37Å; D97-A136 PolarHBondContact O-N 3.49Å
98R98.2Very high96.1Very high82 Ų8252.2 Ų52.231%0.30925%0.248SC..EExtended strand (participates in β ladder)trans-138.1119.2-178.3-162.7173.2164.489.43.4112.1N5 Y6 D7 A136 N138N5-R98 WeakPolarHBondContact O-CD 3.47Å; Y6-R98 HydrophobicContact CD1-CB 4.5Å; Y6-R98 HydrophobicContact CD1-CG 3.82Å; Y6-R98 HydrophobicContact CE1-CG 3.95Å; D7-R98 PolarHBondContact N-O 3.39Å; D7-R98 PolarHBondContact OD2-N 2.97Å; R98-A136 WeakPolarHBondContact CA-O 3.41Å; R98-A136 HydrophobicContact CG-CB 4.47Å; R98-N138 PolarHBondContact NH1-OD1 3.48Å; R98-N138 PolarHBondContact NH2-OD1 2.8Å; R98-N138 VanDerWaalsContact NH2-OD1 3.13Å
99I98.6Very high95.9Very high0 Ų053.9 Ų53.90%026%0.259CS..EExtended strand (participates in β ladder)trans-116123.3-176.3-59.3167.9000110A8 V10 L93 A96 L101 A132 A135 A136 F137 N138A8-I99 WeakPolarHBondContact O-CA 3.42Å; V10-I99 HydrophobicContact CG2-CG2 3.72Å; L93-I99 HydrophobicContact CB-CD1 4.15Å; L93-I99 HydrophobicContact CD2-CD1 3.9Å; L93-I99 HydrophobicContact CD2-CG1 4.17Å; L93-I99 HydrophobicContact CD2-CG2 4.36Å; L93-I99 HydrophobicContact CG-CD1 4.47Å; A96-I99 HydrophobicContact CB-CD1 4.05Å; A96-I99 HydrophobicContact CB-CG1 3.65Å; I99-L101 HydrophobicContact CG2-CD2 4.04Å; I99-A132 HydrophobicContact CD1-CB 3.74Å; I99-A135 HydrophobicContact CD1-CB 3.59Å; I99-A135 HydrophobicContact CG1-CB 4.03Å; I99-A136 PolarHBondContact N-O 3.31Å; I99-F137 HydrophobicContact CB-CD1 3.86Å; I99-F137 HydrophobicContact CB-CE1 3.88Å; I99-F137 HydrophobicContact CD1-CD1 4.41Å; I99-F137 HydrophobicContact CD1-CE1 3.59Å; I99-F137 HydrophobicContact CD1-CZ 3.82Å; I99-F137 HydrophobicContact CG1-CE1 4.32Å; I99-F137 HydrophobicContact CG2-CD1 4.04Å; I99-F137 HydrophobicContact CG2-CE1 3.98Å; I99-F137 WeakPolarHBondContact O-CA 3.37Å; I99-N138 PolarHBondContact O-N 3.36Å; I99-N138 VanDerWaalsContact O-N 3.14Å
100G98.4Very high95.7Very high0 Ų058 Ų580%028%0.28CS..EExtended strand (participates in β ladder)trans-86.6127.5172.700000111.5Y6 A8 V9 V10 N138Y6-G100 VanDerWaalsContact CD1-N 3.33Å; A8-G100 PolarHBondContact O-N 3.33Å; V9-G100 CarbonylContact C-O 3.46Å; V9-G100 VanDerWaalsContact CA-O 3.24Å; V9-G100 WeakPolarHBondContact CA-O 3.34Å; V10-G100 PolarHBondContact N-O 2.84Å; G100-N138 CarbonylContact C-O 3.53Å; G100-N138 WeakPolarHBondContact CA-O 3.5Å
101L98.5Very high95.6Very high2 Ų262.2 Ų62.21%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-101.3125.1175.8-56.6-173.8000109.7V10 I99 Y118 L120 I125 L128 F137 N138 N139 A140V10-L101 HydrophobicContact CB-CD2 3.88Å; V10-L101 HydrophobicContact CG1-CD2 4.46Å; V10-L101 HydrophobicContact CG2-CD2 4.23Å; I99-L101 HydrophobicContact CG2-CD2 4.04Å; L101-Y118 HydrophobicContact CB-CD1 4.2Å; L101-Y118 HydrophobicContact CD1-CD1 3.93Å; L101-Y118 HydrophobicContact CD1-CE1 3.95Å; L101-Y118 HydrophobicContact CD1-CG 4.26Å; L101-L120 HydrophobicContact CB-CD1 4.27Å; L101-I125 HydrophobicContact CD1-CD1 3.54Å; L101-L128 HydrophobicContact CD2-CD1 3.82Å; L101-F137 HydrophobicContact CD1-CB 4.23Å; L101-F137 HydrophobicContact CD1-CD1 4.05Å; L101-F137 HydrophobicContact CD2-CD1 3.92Å; L101-F137 HydrophobicContact CD2-CE1 4.44Å; L101-F137 HydrophobicContact CG-CD1 4.09Å; L101-N138 PolarHBondContact N-O 3.16Å; L101-N139 WeakPolarHBondContact O-CA 3.45Å; L101-A140 PolarHBondContact O-N 2.84Å
102I98.3Very high95.5Very high2 Ų267.7 Ų67.71%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-119.4111.9-175.2-63.3176.4000107.9V9 V10 I11 Y12 N20 A140 L144V9-I102 HydrophobicContact CB-CD1 4.03Å; V9-I102 HydrophobicContact CG1-CD1 4.34Å; V9-I102 HydrophobicContact CG2-CD1 4.39Å; V10-I102 PolarHBondContact O-N 3.21Å; I11-I102 WeakPolarHBondContact CA-O 3.41Å; I11-I102 HydrophobicContact CB-CB 4.37Å; I11-I102 HydrophobicContact CB-CG2 4.47Å; I11-I102 HydrophobicContact CD1-CD1 4.44Å; I11-I102 HydrophobicContact CG1-CB 3.89Å; I11-I102 HydrophobicContact CG1-CD1 3.83Å; I11-I102 HydrophobicContact CG1-CG1 4.36Å; I11-I102 HydrophobicContact CG1-CG2 4.08Å; I11-I102 HydrophobicContact CG2-CG2 4.11Å; Y12-I102 PolarHBondContact N-O 3.22Å; N20-I102 HydrophobicContact CB-CG2 4.39Å; I102-A140 HydrophobicContact CD1-CB 4.49Å; I102-A140 HydrophobicContact CG1-CB 3.98Å; I102-L144 HydrophobicContact CD1-CD1 4.22Å; I102-L144 HydrophobicContact CD1-CG 4.24Å; I102-L144 HydrophobicContact CG2-CD1 3.69Å; I102-L144 HydrophobicContact CG2-CG 4.39Å
103G95.9Very high95.4Very high2 Ų268.7 Ų68.72%0.02133%0.334CS..  trans-100-148.9167.100000110.1N20 T141N20-G103 PolarHBondContact ND2-O 3.17Å; G103-T141 PolarHBondContact N-OG1 3.15Å
104W91.7Very high95.4Very high69 Ų6970.8 Ų70.826%0.26135%0.345SS..SBendtrans-97.5-31.717217282.1000112.7H17 D119 I145H17-W104 HydrophobicContact CB-CB 3.7Å; H17-W104 HydrophobicContact CB-CG 4.22Å; H17-W104 AromaticContact CD2-CD2 3.61Å; H17-W104 AromaticContact CD2-CE3 3.58Å; H17-W104 AromaticContact CD2-CG 3.72Å; H17-W104 AromaticContact NE2-CE3 4Å; W104-D119 PolarHBondContact N-OD2 2.99Å; W104-I145 WeakPolarHBondContact O-CD1 3.25Å
105K92.3Very high95.4Very high81 Ų8167.2 Ų67.235%0.35233%0.334SS..  trans-81.3125.2-177.5-65.6176.7-169.9121.20114.2F107 D119K105-F107 HydrophobicContact CB-CE1 4.25Å; K105-F107 HydrophobicContact CB-CE2 4.18Å; K105-F107 HydrophobicContact CB-CZ 4Å; K105-F107 HydrophobicContact CD-CE1 4.15Å; K105-F107 HydrophobicContact CD-CZ 4.19Å; K105-D119 HydrophobicContact CB-CB 4.05Å; K105-D119 HydrophobicContact CD-CB 4.37Å; K105-D119 HydrophobicContact CG-CB 4.36Å; K105-D119 WeakPolarHBondContact CG-OD2 3.32Å; K105-D119 PolarHBondContact N-OD2 3.3Å; K105-D119 IonicContact NZ-OD1 2.79Å; K105-D119 PolarHBondContact NZ-OD1 3.35Å; K105-D119 IonicContact NZ-OD2 2.85Å
106N93.4Very high95.7Very high55 Ų5565 Ų6529%0.29433%0.326SS..  trans-90.1102.3161.5-170.833.1000109.9I145N106-I145 HydrophobicContact CB-CD1 3.78Å; N106-I145 HydrophobicContact CB-CG1 3.96Å
107F95.1Very high95.7Very high60 Ų6066.8 Ų66.826%0.26334%0.335SS..  trans-74.2137.5-177.5-62.6-80.2000112K105 N114 I117 D119 N139K105-F107 HydrophobicContact CB-CE1 4.25Å; K105-F107 HydrophobicContact CB-CE2 4.18Å; K105-F107 HydrophobicContact CB-CZ 4Å; K105-F107 HydrophobicContact CD-CE1 4.15Å; K105-F107 HydrophobicContact CD-CZ 4.19Å; F107-N114 HydrophobicContact CB-CB 4.16Å; F107-N114 WeakPolarHBondContact CB-OD1 3.35Å; F107-N114 VanDerWaalsContact O-CG 3.26Å; F107-I117 HydrophobicContact CB-CD1 3.88Å; F107-I117 HydrophobicContact CB-CG1 4.49Å; F107-I117 HydrophobicContact CD1-CD1 4.14Å; F107-I117 HydrophobicContact CD2-CB 4.31Å; F107-I117 HydrophobicContact CD2-CD1 4.33Å; F107-I117 HydrophobicContact CD2-CG1 4.27Å; F107-I117 HydrophobicContact CE2-CB 4.33Å; F107-I117 HydrophobicContact CG-CD1 3.88Å; F107-I117 HydrophobicContact CG-CG1 4.31Å; F107-D119 HydrophobicContact CE2-CB 4.18Å; F107-D119 HydrophobicContact CZ-CB 4.09Å; F107-N139 VanDerWaalsContact CD2-ND2 3.33Å; F107-N139 WeakPolarHBondContact CD2-ND2 3.49Å
108T93.4Very high95.7Very high117 Ų11763.9 Ų63.972%0.71832%0.316SS*.  trans-127.130.818062.90000111.9
109S94.5Very high95.5Very high34 Ų3461.4 Ų61.424%0.23831%0.308CS..  trans-60.1138179-172.20000110.4H111 E112 N114S109-H111 VanDerWaalsContact C-N 3.34Å; S109-H111 PolarHBondContact OG-N 3.48Å; S109-E112 WeakPolarHBondContact CB-OE2 3.4Å; S109-E112 PolarHBondContact OG-N 2.86Å; S109-E112 PolarHBondContact OG-OE2 3.1Å; S109-N114 VanDerWaalsContact CB-OD1 3.24Å; S109-N114 WeakPolarHBondContact CB-OD1 3.41Å; S109-N114 PolarHBondContact N-ND2 3.05Å; S109-N114 PolarHBondContact N-OD1 3.44Å; S109-N114 PolarHBondContact O-ND2 3.17Å
110Q93.4Very high95.4Very high178 Ų17862.5 Ų62.583%0.83231%0.314SS*.SBendtrans-89.3-5.7172.7-64.8-174.8-5.400112.5
111H95.8Very high95.3Very high173 Ų17363.9 Ų63.980%0.80132%0.323SS*.SBendtrans-122.1-10.1-170.2-58.3-49000113.2S109S109-H111 VanDerWaalsContact C-N 3.34Å; S109-H111 PolarHBondContact OG-N 3.48Å
112E95.5Very high95.2Very high115 Ų11571.9 Ų71.954%0.53735%0.354SS..SBendtrans-120.7155.2178.7-64.9163.3109.200110S109 N114 I117S109-E112 WeakPolarHBondContact CB-OE2 3.4Å; S109-E112 PolarHBondContact OG-N 2.86Å; S109-E112 PolarHBondContact OG-OE2 3.1Å; E112-N114 PolarHBondContact O-N 3.43Å; E112-N114 VanDerWaalsContact O-N 3.15Å; E112-I117 HydrophobicContact CB-CD1 3.95Å
113D96.3Very high95.2Very high97 Ų9775.5 Ų75.552%0.51937%0.37SS..  trans-75.4100.9166.3-175.5-8.9000108.8A115 L116 I117D113-A115 PolarHBondContact O-N 3.46Å; D113-A115 VanDerWaalsContact OD1-CB 3.27Å; D113-A115 WeakPolarHBondContact OD1-CB 3.47Å; D113-A115 PolarHBondContact OD1-N 2.89Å; D113-L116 HydrophobicContact CB-CB 4.39Å; D113-L116 HydrophobicContact CB-CD1 4.14Å; D113-L116 HydrophobicContact CB-CG 4.23Å; D113-L116 PolarHBondContact O-N 3.11Å; D113-L116 WeakPolarHBondContact OD2-CD1 3.49Å; D113-I117 WeakPolarHBondContact O-CG1 3.47Å
114N96.4Very high95.3Very high46 Ų4675.4 Ų75.425%0.24637%0.369CS..G310 helixtrans-56.3-21.9179.7-64.8-48.5000113F107 S109 E112 L116 N139F107-N114 HydrophobicContact CB-CB 4.16Å; F107-N114 WeakPolarHBondContact CB-OD1 3.35Å; F107-N114 VanDerWaalsContact O-CG 3.26Å; S109-N114 VanDerWaalsContact CB-OD1 3.24Å; S109-N114 WeakPolarHBondContact CB-OD1 3.41Å; S109-N114 PolarHBondContact N-ND2 3.05Å; S109-N114 PolarHBondContact N-OD1 3.44Å; S109-N114 PolarHBondContact O-ND2 3.17Å; E112-N114 PolarHBondContact O-N 3.43Å; E112-N114 VanDerWaalsContact O-N 3.15Å; N114-L116 VanDerWaalsContact C-N 3.26Å; N114-L116 PolarHBondContact O-N 2.92Å; N114-N139 WeakPolarHBondContact O-CB 3.39Å
115A95.7Very high95.6Very high32 Ų3272.7 Ų72.726%0.26436%0.36SS..G310 helixtrans-75.4-11.1176.300000113.7D113 N138 N139D113-A115 PolarHBondContact O-N 3.46Å; D113-A115 VanDerWaalsContact OD1-CB 3.27Å; D113-A115 WeakPolarHBondContact OD1-CB 3.47Å; D113-A115 PolarHBondContact OD1-N 2.89Å; A115-N138 CarbonylContact O-C 3.48Å; A115-N138 VanDerWaalsContact O-CA 3.28Å; A115-N138 WeakPolarHBondContact O-CA 3.31Å; A115-N138 PolarHBondContact O-ND2 3.4Å; A115-N139 PolarHBondContact O-N 3.03Å
116L95.9Very high95.8Very high99 Ų9971.6 Ų71.652%0.51836%0.356SS..G310 helixtrans-115.53-175.8-60.8-178.9000114.1D113 N114D113-L116 HydrophobicContact CB-CB 4.39Å; D113-L116 HydrophobicContact CB-CD1 4.14Å; D113-L116 HydrophobicContact CB-CG 4.23Å; D113-L116 PolarHBondContact O-N 3.11Å; D113-L116 WeakPolarHBondContact OD2-CD1 3.49Å; N114-L116 VanDerWaalsContact C-N 3.26Å; N114-L116 PolarHBondContact O-N 2.92Å
117I96.1Very high96.1Very high40 Ų4069.1 Ų69.121%0.20534%0.343CS..  trans-106.8135173.320.7175.3000110.1F107 E112 D113 N139F107-I117 HydrophobicContact CB-CD1 3.88Å; F107-I117 HydrophobicContact CB-CG1 4.49Å; F107-I117 HydrophobicContact CD1-CD1 4.14Å; F107-I117 HydrophobicContact CD2-CB 4.31Å; F107-I117 HydrophobicContact CD2-CD1 4.33Å; F107-I117 HydrophobicContact CD2-CG1 4.27Å; F107-I117 HydrophobicContact CE2-CB 4.33Å; F107-I117 HydrophobicContact CG-CD1 3.88Å; F107-I117 HydrophobicContact CG-CG1 4.31Å; E112-I117 HydrophobicContact CB-CD1 3.95Å; D113-I117 WeakPolarHBondContact O-CG1 3.47Å; I117-N139 WeakPolarHBondContact O-CB 3.45Å; I117-N139 PolarHBondContact O-ND2 3.17Å
118Y95.4Very high96.2Very high58 Ų5866.3 Ų66.323%0.22733%0.331CS..  trans-125.9146.5-171.2-47.7-62.7000111.7L101 I125 F137 N139L101-Y118 HydrophobicContact CB-CD1 4.2Å; L101-Y118 HydrophobicContact CD1-CD1 3.93Å; L101-Y118 HydrophobicContact CD1-CE1 3.95Å; L101-Y118 HydrophobicContact CD1-CG 4.26Å; Y118-I125 HydrophobicContact CD2-CD1 4.16Å; Y118-I125 HydrophobicContact CD2-CG2 4.5Å; Y118-I125 HydrophobicContact CG-CD1 4.16Å; Y118-F137 PolarHBondContact OH-O 3.25Å; Y118-N139 HydrophobicContact CD1-CB 4.18Å; Y118-N139 HydrophobicContact CE1-CB 4.39Å
119D94.9Very high96.4Very high30 Ų3065 Ų6516%0.1632%0.315CS..  trans-113.960.8176.3-174.149.4000110W104 K105 F107W104-D119 PolarHBondContact N-OD2 2.99Å; K105-D119 HydrophobicContact CB-CB 4.05Å; K105-D119 HydrophobicContact CD-CB 4.37Å; K105-D119 HydrophobicContact CG-CB 4.36Å; K105-D119 WeakPolarHBondContact CG-OD2 3.32Å; K105-D119 PolarHBondContact N-OD2 3.3Å; K105-D119 IonicContact NZ-OD1 2.79Å; K105-D119 PolarHBondContact NZ-OD1 3.35Å; K105-D119 IonicContact NZ-OD2 2.85Å; F107-D119 HydrophobicContact CE2-CB 4.18Å; F107-D119 HydrophobicContact CZ-CB 4.09Å
120L96Very high96.6Very high22 Ų2268.6 Ų68.612%0.11533%0.328CS..SBendtrans-136.9153.8178.4-71.684.9000109.4Y12 L101 Y122 I125Y12-L120 HydrophobicContact CD1-CG 4.48Å; Y12-L120 HydrophobicContact CG-CD2 4.43Å; Y12-L120 HydrophobicContact CG-CG 4.23Å; L101-L120 HydrophobicContact CB-CD1 4.27Å; L120-Y122 PolarHBondContact O-N 3.45Å; L120-I125 HydrophobicContact CB-CD1 3.88Å; L120-I125 HydrophobicContact CB-CG1 4.22Å; L120-I125 HydrophobicContact CD1-CD1 4.47Å; L120-I125 HydrophobicContact CD2-CD1 4.32Å; L120-I125 HydrophobicContact CG-CD1 4.46Å
121P96.7Very high96.8Very high30 Ų3060.1 Ų60.120%0.19529%0.289CS..  trans-53132.1172.6-26.933.4000112.6Y12 F123 L124 I125Y12-P121 HydrophobicContact CD2-CG 4.41Å; Y12-P121 HydrophobicContact CE1-CG 4.28Å; Y12-P121 HydrophobicContact CE2-CG 3.65Å; P121-F123 VanDerWaalsContact C-N 3.25Å; P121-F123 HydrophobicContact CB-CD1 3.56Å; P121-F123 HydrophobicContact CB-CE1 3.39Å; P121-F123 HydrophobicContact CB-CZ 4.43Å; P121-F123 HydrophobicContact CG-CE1 4.16Å; P121-F123 PolarHBondContact O-N 3.07Å; P121-F123 VanDerWaalsContact O-N 3.16Å; P121-L124 HydrophobicContact CB-CD1 4.41Å; P121-L124 HydrophobicContact CB-CG 4.36Å; P121-L124 HydrophobicContact CG-CD1 4.2Å; P121-L124 WeakPolarHBondContact O-CB 3.45Å; P121-L124 PolarHBondContact O-N 3.25Å; P121-I125 PolarHBondContact O-N 3.49Å
122Y97.6Very high96.9Very high170 Ų17051.9 Ų51.967%0.66725%0.251SS*.Hα-helixtrans-55.6-38.6-175176.8-110.2000113.2L120 L124 I125 E126L120-Y122 PolarHBondContact O-N 3.45Å; Y122-L124 PolarHBondContact O-N 3.19Å; Y122-I125 PolarHBondContact O-N 3.28Å; Y122-I125 VanDerWaalsContact O-N 3.16Å; Y122-E126 HydrophobicContact CD1-CG 4.32Å; Y122-E126 HydrophobicContact CD2-CG 4.38Å; Y122-E126 HydrophobicContact CE1-CG 3.71Å; Y122-E126 HydrophobicContact CE2-CG 3.75Å; Y122-E126 PolarHBondContact O-N 3.11Å; Y122-E126 VanDerWaalsContact OH-CD 3.26Å; Y122-E126 WeakPolarHBondContact OH-CG 3.45Å; Y122-E126 PolarHBondContact OH-OE1 3.04Å; Y122-E126 VanDerWaalsContact OH-OE1 3.12Å
123F97Very high97Very high78 Ų7851.2 Ų51.234%0.34226%0.257SS..Hα-helixtrans-63-30178.981.9-87.1000112.9F71 V84 P121 G127F71-F123 HydrophobicContact CD1-CZ 4.3Å; F71-F123 HydrophobicContact CE1-CE2 4.46Å; F71-F123 AromaticContact CE1-CZ 3.99Å; F71-F123 HydrophobicContact CE1-CZ 3.99Å; V84-F123 HydrophobicContact CG1-CD2 4.43Å; V84-F123 HydrophobicContact CG2-CD2 4.3Å; V84-F123 HydrophobicContact CG2-CE2 4.47Å; P121-F123 VanDerWaalsContact C-N 3.25Å; P121-F123 HydrophobicContact CB-CD1 3.56Å; P121-F123 HydrophobicContact CB-CE1 3.39Å; P121-F123 HydrophobicContact CB-CZ 4.43Å; P121-F123 HydrophobicContact CG-CE1 4.16Å; P121-F123 PolarHBondContact O-N 3.07Å; P121-F123 VanDerWaalsContact O-N 3.16Å; F123-G127 PolarHBondContact O-N 2.79Å
124L97.7Very high97Very high0 Ų051.9 Ų51.90%026%0.264CS..Hα-helixtrans-74.1-40.8174.2-69.1-178.1000111.7Y12 L35 M68 F71 V84 P121 Y122 E126 G127 L128Y12-L124 HydrophobicContact CD2-CD1 3.66Å; Y12-L124 HydrophobicContact CE2-CD1 4.01Å; L35-L124 HydrophobicContact CD1-CD1 4.36Å; M68-L124 HydrophobicContact SD-CD2 4.31Å; F71-L124 HydrophobicContact CE1-CD1 3.67Å; F71-L124 HydrophobicContact CE1-CD2 3.61Å; F71-L124 HydrophobicContact CE1-CG 4.05Å; F71-L124 HydrophobicContact CZ-CD1 3.77Å; F71-L124 HydrophobicContact CZ-CD2 3.65Å; F71-L124 HydrophobicContact CZ-CG 4.3Å; V84-L124 HydrophobicContact CG1-CD2 4.43Å; P121-L124 HydrophobicContact CB-CD1 4.41Å; P121-L124 HydrophobicContact CB-CG 4.36Å; P121-L124 HydrophobicContact CG-CD1 4.2Å; P121-L124 WeakPolarHBondContact O-CB 3.45Å; P121-L124 PolarHBondContact O-N 3.25Å; Y122-L124 PolarHBondContact O-N 3.19Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 3.32Å; L124-G127 PolarHBondContact O-N 2.95Å; L124-L128 WeakPolarHBondContact O-CB 3.31Å; L124-L128 WeakPolarHBondContact O-CD1 3.31Å; L124-L128 WeakPolarHBondContact O-CG 3.45Å; L124-L128 PolarHBondContact O-N 3.25Å
125I97.9Very high97.1Very high12 Ų1250.3 Ų50.36%0.06226%0.258CS..Hα-helixtrans-59.1-47.8175.6-61.7-60.3000110.3L101 Y118 L120 P121 Y122 L128 K129L101-I125 HydrophobicContact CD1-CD1 3.54Å; Y118-I125 HydrophobicContact CD2-CD1 4.16Å; Y118-I125 HydrophobicContact CD2-CG2 4.5Å; Y118-I125 HydrophobicContact CG-CD1 4.16Å; L120-I125 HydrophobicContact CB-CD1 3.88Å; L120-I125 HydrophobicContact CB-CG1 4.22Å; L120-I125 HydrophobicContact CD1-CD1 4.47Å; L120-I125 HydrophobicContact CD2-CD1 4.32Å; L120-I125 HydrophobicContact CG-CD1 4.46Å; P121-I125 PolarHBondContact O-N 3.49Å; Y122-I125 PolarHBondContact O-N 3.28Å; Y122-I125 VanDerWaalsContact O-N 3.16Å; I125-L128 PolarHBondContact O-N 3.03Å; I125-K129 HydrophobicContact CG2-CD 4.29Å; I125-K129 WeakPolarHBondContact O-CG 3.29Å; I125-K129 PolarHBondContact O-N 3.4Å
126E98.1Very high97.2Very high58 Ų5851 Ų5127%0.27126%0.263SS..Hα-helixtrans-62.5-43.2174.8-72.4-61.4127.500111.8Y122 L124 L128 K129 Q130Y122-E126 HydrophobicContact CD1-CG 4.32Å; Y122-E126 HydrophobicContact CD2-CG 4.38Å; Y122-E126 HydrophobicContact CE1-CG 3.71Å; Y122-E126 HydrophobicContact CE2-CG 3.75Å; Y122-E126 PolarHBondContact O-N 3.11Å; Y122-E126 VanDerWaalsContact OH-CD 3.26Å; Y122-E126 WeakPolarHBondContact OH-CG 3.45Å; Y122-E126 PolarHBondContact OH-OE1 3.04Å; Y122-E126 VanDerWaalsContact OH-OE1 3.12Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 3.32Å; E126-L128 PolarHBondContact O-N 3.32Å; E126-K129 PolarHBondContact O-N 3.25Å; E126-Q130 WeakPolarHBondContact O-CG 3.35Å; E126-Q130 PolarHBondContact O-N 3.45Å
127G98.2Very high97.3Very high3 Ų347.3 Ų47.33%0.03124%0.243CC..Hα-helixtrans-58.8-45176.900000113.3L88 F123 L124 Q130 A131L88-G127 VanDerWaalsContact CD1-C 3.45Å; F123-G127 PolarHBondContact O-N 2.79Å; L124-G127 PolarHBondContact O-N 2.95Å; G127-Q130 PolarHBondContact O-N 3.06Å; G127-A131 WeakPolarHBondContact O-CB 3.49Å; G127-A131 PolarHBondContact O-N 2.82Å
128L98.4Very high97.4Very high1 Ų146.2 Ų46.21%0.00524%0.238CC..Hα-helixtrans-66-45.3178.8-73.6164.5000111.4V10 L88 L93 L101 L124 I125 E126 Q130 A131 A132 F137V10-L128 HydrophobicContact CG1-CD1 4.13Å; V10-L128 HydrophobicContact CG1-CD2 4.31Å; V10-L128 HydrophobicContact CG2-CD2 4.22Å; L88-L128 HydrophobicContact CD1-CD2 4Å; L88-L128 HydrophobicContact CD1-CG 3.97Å; L88-L128 HydrophobicContact CD2-CD2 4.15Å; L93-L128 HydrophobicContact CD1-CD2 3.64Å; L101-L128 HydrophobicContact CD2-CD1 3.82Å; L124-L128 WeakPolarHBondContact O-CB 3.31Å; L124-L128 WeakPolarHBondContact O-CD1 3.31Å; L124-L128 WeakPolarHBondContact O-CG 3.45Å; L124-L128 PolarHBondContact O-N 3.25Å; I125-L128 PolarHBondContact O-N 3.03Å; E126-L128 PolarHBondContact O-N 3.32Å; L128-Q130 VanDerWaalsContact C-N 3.28Å; L128-Q130 PolarHBondContact O-N 3.33Å; L128-A131 PolarHBondContact O-N 3.02Å; L128-A131 VanDerWaalsContact O-N 3.13Å; L128-A132 PolarHBondContact O-N 2.95Å; L128-F137 HydrophobicContact CB-CE1 3.95Å; L128-F137 HydrophobicContact CB-CZ 4.27Å; L128-F137 WeakPolarHBondContact O-CZ 3.45Å
129K98Very high97.5Very high89 Ų8943.9 Ų43.939%0.38723%0.229SC..Hα-helixtrans-60.3-36.9175.5-73.6176179.2177.30112.3I125 E126 A132 P133 F137I125-K129 HydrophobicContact CG2-CD 4.29Å; I125-K129 WeakPolarHBondContact O-CG 3.29Å; I125-K129 PolarHBondContact O-N 3.4Å; E126-K129 PolarHBondContact O-N 3.25Å; K129-A132 CarbonylContact O-C 3.47Å; K129-P133 WeakPolarHBondContact O-CA 3.39Å; K129-F137 HydrophobicContact CB-CE2 4.47Å; K129-F137 HydrophobicContact CG-CD2 4.1Å; K129-F137 HydrophobicContact CG-CE2 3.96Å
130Q98.1Very high97.6Very high109 Ų10942.5 Ų42.551%0.50922%0.221SC..Hα-helixtrans-76.5-29.2175.6-69.2175.942.700113P85 E126 G127 L128P85-Q130 HydrophobicContact CB-CB 3.81Å; P85-Q130 HydrophobicContact CG-CB 3.71Å; P85-Q130 HydrophobicContact CG-CG 4.48Å; E126-Q130 WeakPolarHBondContact O-CG 3.35Å; E126-Q130 PolarHBondContact O-N 3.45Å; G127-Q130 PolarHBondContact O-N 3.06Å; L128-Q130 VanDerWaalsContact C-N 3.28Å; L128-Q130 PolarHBondContact O-N 3.33Å
131A97.9Very high97.7Very high0 Ų041.4 Ų41.40%022%0.216CC..Hα-helixtrans-73.7-35.1176.700000112.6L88 K89 G127 L128L88-A131 HydrophobicContact CB-CB 3.77Å; K89-A131 HydrophobicContact CG-CB 4Å; G127-A131 WeakPolarHBondContact O-CB 3.49Å; G127-A131 PolarHBondContact O-N 2.82Å; L128-A131 PolarHBondContact O-N 3.02Å; L128-A131 VanDerWaalsContact O-N 3.13Å
132A98Very high97.7Very high0 Ų043.4 Ų43.40%022%0.22CC..SBendtrans-132.371.6178.500000111.1L93 I99 L128 K129 T134 A135 F137L93-A132 HydrophobicContact CB-CB 4.24Å; L93-A132 WeakPolarHBondContact O-CB 3.33Å; I99-A132 HydrophobicContact CD1-CB 3.74Å; L128-A132 PolarHBondContact O-N 2.95Å; K129-A132 CarbonylContact O-C 3.47Å; A132-T134 PolarHBondContact O-N 2.95Å; A132-A135 HydrophobicContact CB-CB 3.92Å; A132-A135 WeakPolarHBondContact O-CB 3.44Å; A132-A135 PolarHBondContact O-N 2.97Å; A132-A135 VanDerWaalsContact O-N 3.16Å; A132-F137 HydrophobicContact CB-CZ 4.18Å
133P97.1Very high97.7Very high102 Ų10237 Ų3766%0.66220%0.197SC*.THydrogen-bonded Turntrans-68.5-17.7-170.127.4-36.2000115.1K129K129-P133 WeakPolarHBondContact O-CA 3.39Å
134T96.5Very high97.7Very high111 Ų11133.6 Ų33.668%0.68118%0.183SC*.THydrogen-bonded Turntrans-94.4-10.3177.952.30000113.1A132A132-T134 PolarHBondContact O-N 2.95Å
135A97.6Very high97.6Very high13 Ų1333.9 Ų33.911%0.10718%0.184CC..  trans-77.8143.2-176.500000111.8A96 D97 I99 A132 F137A96-A135 WeakPolarHBondContact O-CB 3.23Å; D97-A135 CarbonylContact O-C 3.58Å; D97-A135 WeakPolarHBondContact O-CA 3.37Å; I99-A135 HydrophobicContact CD1-CB 3.59Å; I99-A135 HydrophobicContact CG1-CB 4.03Å; A132-A135 HydrophobicContact CB-CB 3.92Å; A132-A135 WeakPolarHBondContact O-CB 3.44Å; A132-A135 PolarHBondContact O-N 2.97Å; A132-A135 VanDerWaalsContact O-N 3.16Å; A135-F137 HydrophobicContact CB-CE2 4.04Å; A135-F137 HydrophobicContact CB-CZ 4.17Å; A135-F137 WeakPolarHBondContact O-CD2 3.43Å; A135-F137 WeakPolarHBondContact O-CE2 3.32Å
136A97.8Very high97.5Very high46 Ų4633.4 Ų33.438%0.3818%0.182SC..EExtended strand (participates in β ladder)trans-81.4130.916400000109.9D97 R98 I99D97-A136 PolarHBondContact O-N 3.49Å; R98-A136 WeakPolarHBondContact CA-O 3.41Å; R98-A136 HydrophobicContact CG-CB 4.47Å; I99-A136 PolarHBondContact N-O 3.31Å
137F98.2Very high97.3Very high21 Ų2135.8 Ų35.89%0.09219%0.193CC..EExtended strand (participates in β ladder)trans-108.4130.8177.9-65.7-89.1000110.7I99 L101 Y118 L128 K129 A132 A135I99-F137 HydrophobicContact CB-CD1 3.86Å; I99-F137 HydrophobicContact CB-CE1 3.88Å; I99-F137 HydrophobicContact CD1-CD1 4.41Å; I99-F137 HydrophobicContact CD1-CE1 3.59Å; I99-F137 HydrophobicContact CD1-CZ 3.82Å; I99-F137 HydrophobicContact CG1-CE1 4.32Å; I99-F137 HydrophobicContact CG2-CD1 4.04Å; I99-F137 HydrophobicContact CG2-CE1 3.98Å; I99-F137 WeakPolarHBondContact O-CA 3.37Å; L101-F137 HydrophobicContact CD1-CB 4.23Å; L101-F137 HydrophobicContact CD1-CD1 4.05Å; L101-F137 HydrophobicContact CD2-CD1 3.92Å; L101-F137 HydrophobicContact CD2-CE1 4.44Å; L101-F137 HydrophobicContact CG-CD1 4.09Å; Y118-F137 PolarHBondContact OH-O 3.25Å; L128-F137 HydrophobicContact CB-CE1 3.95Å; L128-F137 HydrophobicContact CB-CZ 4.27Å; L128-F137 WeakPolarHBondContact O-CZ 3.45Å; K129-F137 HydrophobicContact CB-CE2 4.47Å; K129-F137 HydrophobicContact CG-CD2 4.1Å; K129-F137 HydrophobicContact CG-CE2 3.96Å; A132-F137 HydrophobicContact CB-CZ 4.18Å; A135-F137 HydrophobicContact CB-CE2 4.04Å; A135-F137 HydrophobicContact CB-CZ 4.17Å; A135-F137 WeakPolarHBondContact O-CD2 3.43Å; A135-F137 WeakPolarHBondContact O-CE2 3.32Å
138N97.9Very high97Very high18 Ų1840.4 Ų40.410%0.09622%0.217CC..EExtended strand (participates in β ladder)trans-136.1149.9176.4-68.8110.1000111.3Y6 R98 I99 G100 L101 A115 A140Y6-N138 HydrophobicContact CE1-CB 4.22Å; R98-N138 PolarHBondContact NH1-OD1 3.48Å; R98-N138 PolarHBondContact NH2-OD1 2.8Å; R98-N138 VanDerWaalsContact NH2-OD1 3.13Å; I99-N138 PolarHBondContact O-N 3.36Å; I99-N138 VanDerWaalsContact O-N 3.14Å; G100-N138 CarbonylContact C-O 3.53Å; G100-N138 WeakPolarHBondContact CA-O 3.5Å; L101-N138 PolarHBondContact N-O 3.16Å; A115-N138 CarbonylContact O-C 3.48Å; A115-N138 VanDerWaalsContact O-CA 3.28Å; A115-N138 WeakPolarHBondContact O-CA 3.31Å; A115-N138 PolarHBondContact O-ND2 3.4Å; N138-A140 PolarHBondContact O-N 2.97Å
139N97.7Very high96.9Very high9 Ų940.4 Ų40.45%0.04822%0.218CC..EExtended strand (participates in β ladder)trans-65.9123.5169.5-171-32.3000108.2L101 F107 N114 A115 I117 Y118 T141L101-N139 WeakPolarHBondContact O-CA 3.45Å; F107-N139 VanDerWaalsContact CD2-ND2 3.33Å; F107-N139 WeakPolarHBondContact CD2-ND2 3.49Å; N114-N139 WeakPolarHBondContact O-CB 3.39Å; A115-N139 PolarHBondContact O-N 3.03Å; I117-N139 WeakPolarHBondContact O-CB 3.45Å; I117-N139 PolarHBondContact O-ND2 3.17Å; Y118-N139 HydrophobicContact CD1-CB 4.18Å; Y118-N139 HydrophobicContact CE1-CB 4.39Å; N139-T141 VanDerWaalsContact OD1-CB 3.23Å; N139-T141 WeakPolarHBondContact OD1-CB 3.19Å; N139-T141 PolarHBondContact OD1-N 2.95Å; N139-T141 PolarHBondContact OD1-OG1 3.35Å
140A97.8Very high96.8Very high0 Ų040.1 Ų40.10%022%0.22CC..  trans-12116.3-178.200000112Y6 L101 I102 N138 Y142 L143Y6-A140 HydrophobicContact CE2-CB 4.02Å; L101-A140 PolarHBondContact O-N 2.84Å; I102-A140 HydrophobicContact CD1-CB 4.49Å; I102-A140 HydrophobicContact CG1-CB 3.98Å; N138-A140 PolarHBondContact O-N 2.97Å; A140-Y142 PolarHBondContact O-N 2.96Å; A140-L143 HydrophobicContact CB-CD1 3.87Å; A140-L143 HydrophobicContact CB-CG 4.2Å; A140-L143 VanDerWaalsContact O-CB 3.26Å; A140-L143 WeakPolarHBondContact O-CB 3.38Å; A140-L143 VanDerWaalsContact O-CG 3.23Å; A140-L143 WeakPolarHBondContact O-CG 3.42Å; A140-L143 PolarHBondContact O-N 3.47Å
141T97.8Very high96.7Very high0 Ų035.1 Ų35.10%020%0.197CC..THydrogen-bonded Turntrans-60.1-31.1-177.7-52.20000111.9G103 N139 L143 L144 I145G103-T141 PolarHBondContact N-OG1 3.15Å; N139-T141 VanDerWaalsContact OD1-CB 3.23Å; N139-T141 WeakPolarHBondContact OD1-CB 3.19Å; N139-T141 PolarHBondContact OD1-N 2.95Å; N139-T141 PolarHBondContact OD1-OG1 3.35Å; T141-L143 PolarHBondContact O-N 3.16Å; T141-L143 VanDerWaalsContact O-N 3.1Å; T141-L144 PolarHBondContact O-N 3.39Å; T141-I145 HydrophobicContact CG2-CD1 3.79Å; T141-I145 HydrophobicContact CG2-CG1 3.79Å; T141-I145 PolarHBondContact O-N 3.44Å
142Y96.4Very high96.7Very high71 Ų7135.3 Ų35.328%0.27820%0.198SC..Hα-helixtrans-56.4-25173.873.3-88.9000113.8E4 A140 L144 G146E4-Y142 PolarHBondContact OE2-OH 3.02Å; A140-Y142 PolarHBondContact O-N 2.96Å; Y142-L144 PolarHBondContact O-N 2.86Å; Y142-G146 WeakPolarHBondContact O-CA 3.45Å; Y142-G146 PolarHBondContact O-N 3.44Å
143L97.2Very high96.7Very high36 Ų3637.6 Ų37.619%0.18821%0.212CC..Hα-helixtrans-62.5-25.5176.2-61.3-177.7000112.8E4 Y6 V9 A140 T141 L150E4-L143 HydrophobicContact CB-CD2 4.41Å; E4-L143 HydrophobicContact CG-CD2 3.75Å; Y6-L143 HydrophobicContact CD2-CD1 4.03Å; Y6-L143 HydrophobicContact CE2-CD1 4.15Å; V9-L143 HydrophobicContact CG1-CD1 4.17Å; A140-L143 HydrophobicContact CB-CD1 3.87Å; A140-L143 HydrophobicContact CB-CG 4.2Å; A140-L143 VanDerWaalsContact O-CB 3.26Å; A140-L143 WeakPolarHBondContact O-CB 3.38Å; A140-L143 VanDerWaalsContact O-CG 3.23Å; A140-L143 WeakPolarHBondContact O-CG 3.42Å; A140-L143 PolarHBondContact O-N 3.47Å; T141-L143 PolarHBondContact O-N 3.16Å; T141-L143 VanDerWaalsContact O-N 3.1Å; L143-L150 PolarHBondContact O-N 2.97Å
144L97.1Very high96.7Very high7 Ų733.3 Ų33.34%0.03718%0.183CC..Hα-helixtrans-104-40-179.4-58.2-173.2000112.1I11 N20 F24 I102 T141 Y142 G149 L150 R151I11-L144 HydrophobicContact CD1-CD1 4.47Å; N20-L144 HydrophobicContact CB-CD1 3.64Å; F24-L144 HydrophobicContact CE2-CD1 3.99Å; F24-L144 HydrophobicContact CE2-CD2 3.86Å; F24-L144 HydrophobicContact CZ-CD2 3.79Å; I102-L144 HydrophobicContact CD1-CD1 4.22Å; I102-L144 HydrophobicContact CD1-CG 4.24Å; I102-L144 HydrophobicContact CG2-CD1 3.69Å; I102-L144 HydrophobicContact CG2-CG 4.39Å; T141-L144 PolarHBondContact O-N 3.39Å; Y142-L144 PolarHBondContact O-N 2.86Å; L144-G149 CarbonylContact O-C 3.49Å; L144-G149 VanDerWaalsContact O-C 3.28Å; L144-G149 WeakPolarHBondContact O-CA 3.32Å; L144-L150 HydrophobicContact CD2-CB 4.03Å; L144-L150 HydrophobicContact CD2-CD2 4.24Å; L144-L150 PolarHBondContact O-N 3.31Å; L144-R151 HydrophobicContact CB-CG 4.37Å; L144-R151 WeakPolarHBondContact O-CA 3.37Å; L144-R151 WeakPolarHBondContact O-CB 3.24Å; L144-R151 PolarHBondContact O-N 3.2Å
145I96.3Very high96.8Very high5 Ų532 Ų323%0.02617%0.172CC..Hα-helixtrans-1315.9-169.366.2162.9000114.4W104 N106 T141 L318 A319W104-I145 WeakPolarHBondContact O-CD1 3.25Å; N106-I145 HydrophobicContact CB-CD1 3.78Å; N106-I145 HydrophobicContact CB-CG1 3.96Å; T141-I145 HydrophobicContact CG2-CD1 3.79Å; T141-I145 HydrophobicContact CG2-CG1 3.79Å; T141-I145 PolarHBondContact O-N 3.44Å; I145-L318 HydrophobicContact CB-CD1 4.33Å; I145-L318 HydrophobicContact CB-CG 4.23Å; I145-L318 HydrophobicContact CG2-CD1 3.46Å; I145-L318 VanDerWaalsContact CG2-CD1 3.46Å; I145-L318 HydrophobicContact CG2-CD2 4.38Å; I145-L318 HydrophobicContact CG2-CG 3.85Å; I145-A319 WeakPolarHBondContact O-CB 2.81Å
146G94.9Very high96.8Very high3 Ų331.5 Ų31.53%0.03117%0.168CC..SBendtrans-85.6-167.9172.800000112Y142 N148 G149 T152Y142-G146 WeakPolarHBondContact O-CA 3.45Å; Y142-G146 PolarHBondContact O-N 3.44Å; G146-N148 PolarHBondContact O-N 3.42Å; G146-G149 WeakPolarHBondContact O-CA 3.45Å; G146-G149 PolarHBondContact O-N 2.92Å; G146-T152 WeakPolarHBondContact O-CG2 3.41Å
147E93.6Very high96.8Very high107 Ų10733.6 Ų33.650%0.517%0.173SC..THydrogen-bonded Turntrans-57.1121.9174.7-169.1-170.6178.500110.6G149 E328E147-G149 PolarHBondContact O-N 3.03Å; E147-E328 HydrophobicContact CB-CG 3.95Å; E147-E328 HydrophobicContact CG-CB 4.07Å; E147-E328 HydrophobicContact CG-CG 3.65Å
148N93.1Very high96.7Very high100 Ų10034.2 Ų34.254%0.53518%0.176SC..THydrogen-bonded Turntrans61.225.7-171.8-47.6-75.7000114.4G146 Q331G146-N148 PolarHBondContact O-N 3.42Å; N148-Q331 PolarHBondContact OD1-NE2 2.88Å
149G96Very high96.7Very high2 Ų233.6 Ų33.62%0.02117%0.173CC..  trans-62.514817600000112.1L144 G146 E147 R151 T152L144-G149 CarbonylContact O-C 3.49Å; L144-G149 VanDerWaalsContact O-C 3.28Å; L144-G149 WeakPolarHBondContact O-CA 3.32Å; G146-G149 WeakPolarHBondContact O-CA 3.45Å; G146-G149 PolarHBondContact O-N 2.92Å; E147-G149 PolarHBondContact O-N 3.03Å; G149-R151 PolarHBondContact O-N 3.05Å; G149-R151 VanDerWaalsContact O-N 3.1Å; G149-T152 PolarHBondContact N-OG1 3.16Å; G149-T152 PolarHBondContact O-N 3.42Å; G149-T152 PolarHBondContact O-OG1 2.86Å
150L95.8Very high96.6Very high82 Ų8234.2 Ų34.243%0.42918%0.179SC..THydrogen-bonded Turntrans-57.6-30.2-175.2-176.260.6000114.1Y23 F24 L143 L144Y23-L150 HydrophobicContact CD1-CD2 4.44Å; Y23-L150 HydrophobicContact CE1-CD2 3.54Å; Y23-L150 HydrophobicContact CE1-CG 3.81Å; F24-L150 HydrophobicContact CE1-CD2 4.09Å; F24-L150 HydrophobicContact CZ-CD2 3.86Å; L143-L150 PolarHBondContact O-N 2.97Å; L144-L150 HydrophobicContact CD2-CB 4.03Å; L144-L150 HydrophobicContact CD2-CD2 4.24Å; L144-L150 PolarHBondContact O-N 3.31Å
151R96.7Very high96.4Very high5 Ų539 Ų392%0.01920%0.201CC..THydrogen-bonded Turntrans-95.3-1.5-179.4-59.6177.168.4-144.8-3.1113.1G19 N20 Y23 L144 G149 D314 E315 L318G19-R151 VanDerWaalsContact C-CZ 3.43Å; N20-R151 WeakPolarHBondContact OD1-CD 3.28Å; N20-R151 PolarHBondContact OD1-NH1 3.18Å; Y23-R151 HydrophobicContact CD1-CG 4.2Å; Y23-R151 HydrophobicContact CD2-CG 3.84Å; Y23-R151 HydrophobicContact CE2-CG 4.17Å; Y23-R151 HydrophobicContact CG-CG 3.85Å; L144-R151 HydrophobicContact CB-CG 4.37Å; L144-R151 WeakPolarHBondContact O-CA 3.37Å; L144-R151 WeakPolarHBondContact O-CB 3.24Å; L144-R151 PolarHBondContact O-N 3.2Å; G149-R151 PolarHBondContact O-N 3.05Å; G149-R151 VanDerWaalsContact O-N 3.1Å; R151-D314 IonicContact NH2-OD2 3.18Å; R151-D314 PolarHBondContact NH2-OD2 3.48Å; R151-E315 IonicContact CZ-OE1 3.49Å; R151-E315 IonicContact CZ-OE2 2.91Å; R151-E315 IonicContact NH1-OE1 2.74Å; R151-E315 PolarHBondContact NH1-OE1 3.44Å; R151-E315 IonicContact NH1-OE2 2.65Å; R151-E315 IonicContact NH2-OE1 2.75Å; R151-E315 PolarHBondContact NH2-OE1 3.2Å; R151-E315 IonicContact NH2-OE2 3.85Å; R151-E315 PolarHBondContact NH2-OE2 2.81Å; R151-L318 HydrophobicContact CB-CD2 4.35Å; R151-L318 WeakPolarHBondContact O-CD2 3.28Å
152T97.1Very high96.4Very high3 Ų339.7 Ų39.72%0.01820%0.204CC..THydrogen-bonded Turntrans-80.3-20.5-177.661.60000112.8G146 G149 L311 L318 M334G146-T152 WeakPolarHBondContact O-CG2 3.41Å; G149-T152 PolarHBondContact N-OG1 3.16Å; G149-T152 PolarHBondContact O-N 3.42Å; G149-T152 PolarHBondContact O-OG1 2.86Å; T152-L311 HydrophobicContact CG2-CD1 3.67Å; T152-L318 HydrophobicContact CG2-CD2 4.5Å; T152-M334 WeakPolarHBondContact O-CG 3.45Å
153T97.6Very high96.3Very high48 Ų4837.2 Ų37.229%0.29420%0.195SC..SBendtrans-122.2151.317555.70000110.7Q331 S332 M334T153-Q331 HydrophobicContact CG2-CB 3.82Å; T153-S332 WeakPolarHBondContact CG2-O 3.5Å; T153-M334 HydrophobicContact CG2-CG 4.02Å
154N98Very high96.1Very high12 Ų1240.1 Ų40.16%0.06421%0.206CC..  trans-129.6139.1-172.6-61.5-86.6000110E158 I159 Y162 G333N154-E158 WeakPolarHBondContact CA-OE2 3.5Å; N154-E158 HydrophobicContact CB-CB 3.83Å; N154-I159 HydrophobicContact CB-CD1 4.38Å; N154-I159 HydrophobicContact CB-CG1 3.79Å; N154-Y162 VanDerWaalsContact OD1-CE2 3.24Å; N154-Y162 WeakPolarHBondContact OD1-CE2 3.39Å; N154-G333 WeakPolarHBondContact CB-O 3.35Å; N154-G333 PolarHBondContact N-O 3.28Å; N154-G333 PolarHBondContact ND2-O 3.41Å; N154-G333 WeakPolarHBondContact O-CA 3.27Å
155N97.5Very high96Very high83 Ų8340 Ų4044%0.44421%0.206SC..  trans-80.3178.6170.568.951.5000111.6N157 E158 I159N155-N157 VanDerWaalsContact C-N 3.31Å; N155-N157 PolarHBondContact O-N 3.09Å; N155-N157 WeakPolarHBondContact OD1-CA 3.2Å; N155-N157 WeakPolarHBondContact OD1-CB 3.37Å; N155-N157 PolarHBondContact OD1-N 3.21Å; N155-E158 PolarHBondContact N-OE2 3.42Å; N155-E158 PolarHBondContact ND2-OE2 3.12Å; N155-E158 PolarHBondContact O-N 2.68Å; N155-E158 PolarHBondContact OD1-N 3.45Å; N155-E158 VanDerWaalsContact OD1-N 3.07Å; N155-I159 WeakPolarHBondContact O-CG1 3.49Å; N155-I159 PolarHBondContact O-N 3.31Å
156A98Very high95.9Very high4 Ų441 Ų413%0.03322%0.215CC..Hα-helixtrans-59-36.9-177.900000113.9A160 L363 A366 I367 Y371A156-A160 WeakPolarHBondContact O-CB 3.15Å; A156-A160 PolarHBondContact O-N 3.29Å; A156-L363 HydrophobicContact CB-CD1 4.42Å; A156-A366 HydrophobicContact CB-CB 4.13Å; A156-I367 HydrophobicContact CB-CG1 3.85Å; A156-Y371 HydrophobicContact CB-CD2 4.18Å; A156-Y371 HydrophobicContact CB-CE2 4.1Å
157N97Very high95.8Very high89 Ų8943.9 Ų43.948%0.47623%0.229SC..Hα-helixtrans-68.8-44.8177.7173-109.2000112.2N155 I159 A160 H161 Y371N155-N157 VanDerWaalsContact C-N 3.31Å; N155-N157 PolarHBondContact O-N 3.09Å; N155-N157 WeakPolarHBondContact OD1-CA 3.2Å; N155-N157 WeakPolarHBondContact OD1-CB 3.37Å; N155-N157 PolarHBondContact OD1-N 3.21Å; N157-I159 VanDerWaalsContact C-N 3.34Å; N157-A160 WeakPolarHBondContact O-CB 3.26Å; N157-A160 PolarHBondContact O-N 2.84Å; N157-H161 PolarHBondContact O-N 2.98Å; N157-Y371 WeakPolarHBondContact CA-OH 3.42Å; N157-Y371 HydrophobicContact CB-CE2 4.29Å; N157-Y371 WeakPolarHBondContact CB-OH 3.48Å; N157-Y371 PolarHBondContact ND2-OH 2.9Å
158E96.6Very high95.8Very high35 Ų3539.1 Ų39.116%0.16421%0.207CC..Hα-helixtrans-63.9-42.5178.1-69.3168.7134.900110.8Y23 N154 N155 A160 H161 Y162Y23-E158 WeakPolarHBondContact CE2-OE1 3.41Å; N154-E158 WeakPolarHBondContact CA-OE2 3.5Å; N154-E158 HydrophobicContact CB-CB 3.83Å; N155-E158 PolarHBondContact N-OE2 3.42Å; N155-E158 PolarHBondContact ND2-OE2 3.12Å; N155-E158 PolarHBondContact O-N 2.68Å; N155-E158 PolarHBondContact OD1-N 3.45Å; N155-E158 VanDerWaalsContact OD1-N 3.07Å; E158-A160 VanDerWaalsContact C-N 3.3Å; E158-A160 PolarHBondContact O-N 3.19Å; E158-H161 WeakPolarHBondContact O-CB 3.37Å; E158-H161 PolarHBondContact O-N 3.47Å; E158-H161 VanDerWaalsContact O-N 3.1Å; E158-Y162 HydrophobicContact CB-CD2 4.49Å; E158-Y162 HydrophobicContact CB-CE2 4.38Å; E158-Y162 WeakPolarHBondContact O-CD2 3.34Å; E158-Y162 PolarHBondContact O-N 3.02Å
159I97.5Very high96Very high5 Ų534.3 Ų34.33%0.02618%0.181CC..Hα-helixtrans-60.3-41.2174.1-69.5166.8000111N154 N155 N157 H161 Y162 E163 V357 L363 I367 M374 M378N154-I159 HydrophobicContact CB-CD1 4.38Å; N154-I159 HydrophobicContact CB-CG1 3.79Å; N155-I159 WeakPolarHBondContact O-CG1 3.49Å; N155-I159 PolarHBondContact O-N 3.31Å; N157-I159 VanDerWaalsContact C-N 3.34Å; I159-H161 VanDerWaalsContact C-N 3.29Å; I159-H161 PolarHBondContact O-N 3.14Å; I159-Y162 PolarHBondContact O-N 3.27Å; I159-E163 WeakPolarHBondContact O-CB 3.24Å; I159-E163 PolarHBondContact O-N 3.45Å; I159-V357 HydrophobicContact CD1-CG2 3.76Å; I159-V357 HydrophobicContact CG1-CG2 4.09Å; I159-L363 HydrophobicContact CD1-CD1 4.11Å; I159-L363 HydrophobicContact CD1-CD2 3.66Å; I159-L363 HydrophobicContact CD1-CG 4.14Å; I159-I367 HydrophobicContact CD1-CD1 4.12Å; I159-I367 HydrophobicContact CG2-CD1 4.14Å; I159-M374 HydrophobicContact CG2-CE 4.09Å; I159-M374 HydrophobicContact CG2-SD 4.42Å; I159-M378 HydrophobicContact CG2-CE 4.37Å
160A95.5Very high95.9Very high22 Ų2235.3 Ų35.318%0.18219%0.191CC..Hα-helixtrans-63.3-35.3175.700000113.1A156 N157 E158 Y371 M374A156-A160 WeakPolarHBondContact O-CB 3.15Å; A156-A160 PolarHBondContact O-N 3.29Å; N157-A160 WeakPolarHBondContact O-CB 3.26Å; N157-A160 PolarHBondContact O-N 2.84Å; E158-A160 VanDerWaalsContact C-N 3.3Å; E158-A160 PolarHBondContact O-N 3.19Å; A160-Y371 HydrophobicContact CB-CD1 3.46Å; A160-Y371 VanDerWaalsContact CB-CD1 3.46Å; A160-Y371 HydrophobicContact CB-CD2 4.18Å; A160-Y371 HydrophobicContact CB-CE1 3.55Å; A160-Y371 HydrophobicContact CB-CE2 4.28Å; A160-Y371 HydrophobicContact CB-CG 3.82Å; A160-M374 WeakPolarHBondContact CA-SD 3.23Å; A160-M374 HydrophobicContact CB-CE 3.83Å; A160-M374 HydrophobicContact CB-SD 3.88Å
161H95Very high95.8Very high100 Ų10034.6 Ų34.646%0.46319%0.188SC..Hα-helixtrans-67.2-46.2174-173.668.4000112N157 E158 I159N157-H161 PolarHBondContact O-N 2.98Å; E158-H161 WeakPolarHBondContact O-CB 3.37Å; E158-H161 PolarHBondContact O-N 3.47Å; E158-H161 VanDerWaalsContact O-N 3.1Å; I159-H161 VanDerWaalsContact C-N 3.29Å; I159-H161 PolarHBondContact O-N 3.14Å
162Y96.8Very high95.8Very high14 Ų1434.4 Ų34.46%0.05519%0.187CC..Hα-helixtrans-73.9-29.4-178.3-70.7-52.7000113.7N154 E158 I159 F164 G165 A166 K237 G238 I335N154-Y162 VanDerWaalsContact OD1-CE2 3.24Å; N154-Y162 WeakPolarHBondContact OD1-CE2 3.39Å; E158-Y162 HydrophobicContact CB-CD2 4.49Å; E158-Y162 HydrophobicContact CB-CE2 4.38Å; E158-Y162 WeakPolarHBondContact O-CD2 3.34Å; E158-Y162 PolarHBondContact O-N 3.02Å; I159-Y162 PolarHBondContact O-N 3.27Å; Y162-F164 PolarHBondContact O-N 3.08Å; Y162-G165 PolarHBondContact O-N 3.42Å; Y162-A166 PolarHBondContact O-N 3.5Å; Y162-K237 HydrophobicContact CD1-CB 4.36Å; Y162-K237 HydrophobicContact CE1-CB 4.41Å; Y162-G238 VanDerWaalsContact CD1-CA 3.41Å; Y162-I335 HydrophobicContact CD2-CD1 3.57Å; Y162-I335 HydrophobicContact CE2-CD1 4.46Å; Y162-I335 HydrophobicContact CG-CD1 3.9Å
163E94.6Very high95.8Very high20 Ų2034.4 Ų34.49%0.09319%0.187CC..Hα-helixtrans-59.9-34.5176.6-169.3-92.1164.100112.1I159 M167 M374 R377 M378 R381I159-E163 WeakPolarHBondContact O-CB 3.24Å; I159-E163 PolarHBondContact O-N 3.45Å; E163-M167 VanDerWaalsContact O-CB 3.24Å; E163-M167 WeakPolarHBondContact O-CB 3.1Å; E163-M167 PolarHBondContact O-N 2.97Å; E163-M374 HydrophobicContact CB-SD 3.77Å; E163-M374 HydrophobicContact CG-CG 4.27Å; E163-M374 HydrophobicContact CG-SD 4.03Å; E163-R377 IonicContact OE1-NE 3.19Å; E163-R377 IonicContact OE2-CZ 3.86Å; E163-R377 IonicContact OE2-NE 3.57Å; E163-R377 IonicContact OE2-NH2 3.96Å; E163-R377 PolarHBondContact OE2-NH2 3.31Å; E163-M378 HydrophobicContact CG-CE 4.29Å; E163-R381 IonicContact OE1-CZ 3.86Å; E163-R381 IonicContact OE1-NH1 2.87Å; E163-R381 PolarHBondContact OE1-NH1 2.98Å; E163-R381 IonicContact OE1-NH2 3.25Å; E163-R381 PolarHBondContact OE1-NH2 3.22Å
164F93.8Very high95.6Very high97 Ų9736.7 Ų36.743%0.42520%0.197SC..Hα-helixtrans-57.9-53.4175.7167.3-100.3000111.7Y162 M167 N168 L196 Q198Y162-F164 PolarHBondContact O-N 3.08Å; F164-M167 PolarHBondContact O-N 3.28Å; F164-N168 WeakPolarHBondContact O-CB 3.32Å; F164-N168 PolarHBondContact O-N 3.21Å; F164-L196 HydrophobicContact CE2-CD1 3.92Å; F164-L196 HydrophobicContact CZ-CD1 3.79Å; F164-Q198 HydrophobicContact CE1-CG 4.06Å; F164-Q198 HydrophobicContact CZ-CG 4.29Å
165G95Very high95.5Very high3 Ų338.5 Ų38.53%0.03121%0.211CC..Hα-helixtrans-70.9-36.5-177.700000112.7Y162 M167 N168 A169 K237Y162-G165 PolarHBondContact O-N 3.42Å; G165-M167 PolarHBondContact O-N 2.99Å; G165-N168 WeakPolarHBondContact O-CB 3.48Å; G165-N168 PolarHBondContact O-N 3.47Å; G165-A169 PolarHBondContact O-N 3.37Å; G165-K237 VanDerWaalsContact CA-O 3.25Å; G165-K237 WeakPolarHBondContact CA-O 3.37Å
166A94.8Very high95.5Very high26 Ų2634.6 Ų34.622%0.21519%0.189CC..Hα-helixtrans-60.5-44.117300000112Y162 A169 G170Y162-A166 PolarHBondContact O-N 3.5Å; A166-A169 PolarHBondContact O-N 3.04Å; A166-G170 PolarHBondContact O-N 3.02Å; A166-G170 VanDerWaalsContact O-N 3.09Å
167M91.5Very high95.3Very high65 Ų6538.9 Ų38.932%0.3221%0.21SC..Hα-helixtrans-69-37.7177.1-172.158.4172.200111.8E163 F164 G165 A169 G170 N171 R381E163-M167 VanDerWaalsContact O-CB 3.24Å; E163-M167 WeakPolarHBondContact O-CB 3.1Å; E163-M167 PolarHBondContact O-N 2.97Å; F164-M167 PolarHBondContact O-N 3.28Å; G165-M167 PolarHBondContact O-N 2.99Å; M167-A169 VanDerWaalsContact C-N 3.34Å; M167-A169 PolarHBondContact O-N 3.25Å; M167-G170 PolarHBondContact O-N 3.43Å; M167-N171 WeakPolarHBondContact CE-OD1 3.02Å; M167-N171 WeakPolarHBondContact O-CB 3.31Å; M167-N171 VanDerWaalsContact O-CG 3.3Å; M167-N171 PolarHBondContact O-N 3.4Å; M167-N171 PolarHBondContact O-ND2 3.39Å; M167-R381 VanDerWaalsContact SD-CZ 3.52Å; M167-R381 PolarHBondContact SD-NH2 3.01Å
168N94.3Very high95.2Very high6 Ų640.1 Ų40.13%0.03222%0.217CC..Hα-helixtrans-58.8-46.3174.4-164.740.9000111.2F164 G165 G170 N171 C172 D195 Y236F164-N168 WeakPolarHBondContact O-CB 3.32Å; F164-N168 PolarHBondContact O-N 3.21Å; G165-N168 WeakPolarHBondContact O-CB 3.48Å; G165-N168 PolarHBondContact O-N 3.47Å; N168-G170 VanDerWaalsContact C-N 3.34Å; N168-G170 PolarHBondContact O-N 3.13Å; N168-N171 PolarHBondContact O-N 3.02Å; N168-C172 WeakPolarHBondContact O-CB 3.4Å; N168-C172 PolarHBondContact O-N 3.47Å; N168-C172 PolarHBondContact O-SG 3.08Å; N168-D195 PolarHBondContact OD1-OD2 2.88Å; N168-Y236 HydrophobicContact CB-CD2 3.92Å; N168-Y236 HydrophobicContact CB-CE2 4.11Å; N168-Y236 WeakPolarHBondContact ND2-CD2 3.37Å; N168-Y236 WeakPolarHBondContact ND2-CE2 3.49Å
169A96.6Very high95.2Very high0 Ų041.4 Ų41.40%022%0.223CC..Hα-helixtrans-60.8-42.1175.300000112.1G165 A166 M167 C172 I173 T234 Y236 Q241G165-A169 PolarHBondContact O-N 3.37Å; A166-A169 PolarHBondContact O-N 3.04Å; M167-A169 VanDerWaalsContact C-N 3.34Å; M167-A169 PolarHBondContact O-N 3.25Å; A169-C172 WeakPolarHBondContact O-CB 3.38Å; A169-C172 PolarHBondContact O-N 2.85Å; A169-I173 PolarHBondContact O-N 3.17Å; A169-I173 VanDerWaalsContact O-N 3.11Å; A169-T234 HydrophobicContact CB-CG2 4.18Å; A169-Y236 HydrophobicContact CB-CD2 3.92Å; A169-Y236 HydrophobicContact CB-CE2 4.32Å; A169-Q241 HydrophobicContact CB-CB 4.22Å; A169-Q241 HydrophobicContact CB-CG 3.7Å
170G94.2Very high95.1Very high22 Ų2244 Ų4423%0.22724%0.236CC..Hα-helixtrans-62.3-45.8177.800000112.9A166 M167 N168 I173 L174A166-G170 PolarHBondContact O-N 3.02Å; A166-G170 VanDerWaalsContact O-N 3.09Å; M167-G170 PolarHBondContact O-N 3.43Å; N168-G170 VanDerWaalsContact C-N 3.34Å; N168-G170 PolarHBondContact O-N 3.13Å; G170-I173 PolarHBondContact O-N 3.47Å; G170-L174 PolarHBondContact O-N 3.03Å
171N92.9Very high95.1Very high67 Ų6748.5 Ų48.536%0.35825%0.253SS..Hα-helixtrans-65.7-38.8178.1-70.7-18.9000112.3M167 N168 L174 S175M167-N171 WeakPolarHBondContact CE-OD1 3.02Å; M167-N171 WeakPolarHBondContact O-CB 3.31Å; M167-N171 VanDerWaalsContact O-CG 3.3Å; M167-N171 PolarHBondContact O-N 3.4Å; M167-N171 PolarHBondContact O-ND2 3.39Å; N168-N171 PolarHBondContact O-N 3.02Å; N171-L174 PolarHBondContact O-N 2.91Å; N171-S175 VanDerWaalsContact O-CB 3.32Å; N171-S175 WeakPolarHBondContact O-CB 3.23Å; N171-S175 PolarHBondContact O-N 3.47Å; N171-S175 PolarHBondContact O-OG 2.73Å
172C97.3Very high95.3Very high1 Ų147.4 Ų47.41%0.00725%0.25CS..Hα-helixtrans-57.8-49.5174.1-770000111.4N168 A169 S175 A176 Y192 L193 D195 T234N168-C172 WeakPolarHBondContact O-CB 3.4Å; N168-C172 PolarHBondContact O-N 3.47Å; N168-C172 PolarHBondContact O-SG 3.08Å; A169-C172 WeakPolarHBondContact O-CB 3.38Å; A169-C172 PolarHBondContact O-N 2.85Å; C172-S175 PolarHBondContact O-N 2.8Å; C172-A176 WeakPolarHBondContact O-CB 3.25Å; C172-A176 PolarHBondContact O-N 3.37Å; C172-Y192 VanDerWaalsContact CA-O 3.31Å; C172-Y192 WeakPolarHBondContact CA-O 3.36Å; C172-Y192 WeakPolarHBondContact CB-O 3.48Å; C172-L193 HydrophobicContact CB-CD2 4.42Å; C172-D195 VanDerWaalsContact SG-CB 3.53Å; C172-T234 HydrophobicContact CB-CG2 3.69Å
173I97.1Very high95.3Very high4 Ų448.4 Ų48.42%0.02127%0.265CS..Hα-helixtrans-62.1-46.8178.3-72.1-68.3000111.4A169 G170 S175 A176 M177 L193 M232 T234 Q241 R243A169-I173 PolarHBondContact O-N 3.17Å; A169-I173 VanDerWaalsContact O-N 3.11Å; G170-I173 PolarHBondContact O-N 3.47Å; I173-S175 VanDerWaalsContact C-N 3.33Å; I173-S175 PolarHBondContact O-N 2.71Å; I173-A176 PolarHBondContact O-N 3.33Å; I173-M177 HydrophobicContact CG2-CG 4.33Å; I173-M177 HydrophobicContact CG2-SD 3.87Å; I173-M177 WeakPolarHBondContact O-CB 3.44Å; I173-M177 VanDerWaalsContact O-CG 3.28Å; I173-M177 WeakPolarHBondContact O-CG 3.5Å; I173-M177 PolarHBondContact O-N 2.93Å; I173-L193 HydrophobicContact CD1-CD2 3.83Å; I173-L193 HydrophobicContact CG1-CD2 4.49Å; I173-M232 HydrophobicContact CD1-CB 4.08Å; I173-M232 HydrophobicContact CD1-CG 3.76Å; I173-M232 HydrophobicContact CD1-SD 4.11Å; I173-M232 HydrophobicContact CG2-SD 4.28Å; I173-T234 HydrophobicContact CD1-CG2 4.23Å; I173-T234 HydrophobicContact CG1-CG2 4.01Å; I173-Q241 HydrophobicContact CB-CB 4.48Å; I173-Q241 HydrophobicContact CG1-CB 3.58Å; I173-R243 HydrophobicContact CG2-CB 4.45Å; I173-R243 HydrophobicContact CG2-CG 3.44Å; I173-R243 VanDerWaalsContact CG2-CG 3.44Å
174L93.3Very high95.5Very high96 Ų9649.9 Ų49.950%0.50327%0.271SS..Hα-helixtrans-59-47.3178.2179.460.6000111.1G170 N171 A176 M177 D178G170-L174 PolarHBondContact O-N 3.03Å; N171-L174 PolarHBondContact O-N 2.91Å; L174-A176 VanDerWaalsContact C-N 3.35Å; L174-A176 PolarHBondContact O-N 3.05Å; L174-M177 PolarHBondContact O-N 2.84Å; L174-D178 PolarHBondContact O-N 3.38Å
175S95.3Very high95.7Very high50 Ų5045.7 Ų45.735%0.3525%0.254SS..Hα-helixtrans-61.7-42.3178.3-56.90000111.7N171 C172 I173 D178 Q179N171-S175 VanDerWaalsContact O-CB 3.32Å; N171-S175 WeakPolarHBondContact O-CB 3.23Å; N171-S175 PolarHBondContact O-N 3.47Å; N171-S175 PolarHBondContact O-OG 2.73Å; C172-S175 PolarHBondContact O-N 2.8Å; I173-S175 VanDerWaalsContact C-N 3.33Å; I173-S175 PolarHBondContact O-N 2.71Å; S175-D178 PolarHBondContact O-N 2.87Å; S175-Q179 VanDerWaalsContact O-CG 3.24Å; S175-Q179 WeakPolarHBondContact O-CG 3.45Å; S175-Q179 PolarHBondContact O-N 2.68Å
176A97.6Very high95.8Very high0 Ų046 Ų460%026%0.255CS..Hα-helixtrans-65.4-41.1176.700000112.4C172 I173 L174 Q179 L180 I189 L193 M232C172-A176 WeakPolarHBondContact O-CB 3.25Å; C172-A176 PolarHBondContact O-N 3.37Å; I173-A176 PolarHBondContact O-N 3.33Å; L174-A176 VanDerWaalsContact C-N 3.35Å; L174-A176 PolarHBondContact O-N 3.05Å; A176-Q179 PolarHBondContact O-N 3.17Å; A176-L180 PolarHBondContact O-N 3.11Å; A176-I189 HydrophobicContact CB-CG2 3.93Å; A176-L193 HydrophobicContact CB-CD2 3.56Å; A176-L193 HydrophobicContact CB-CG 4.03Å; A176-M232 HydrophobicContact CB-SD 4.32Å
177M95.3Very high96Very high95 Ų9549.4 Ų49.447%0.46827%0.268SS..Hα-helixtrans-62.5-44.1175.4-72.6178.663.200111.8I173 L174 Q179 L180 M232 R243I173-M177 HydrophobicContact CG2-CG 4.33Å; I173-M177 HydrophobicContact CG2-SD 3.87Å; I173-M177 WeakPolarHBondContact O-CB 3.44Å; I173-M177 VanDerWaalsContact O-CG 3.28Å; I173-M177 WeakPolarHBondContact O-CG 3.5Å; I173-M177 PolarHBondContact O-N 2.93Å; L174-M177 PolarHBondContact O-N 2.84Å; M177-Q179 PolarHBondContact O-N 3.28Å; M177-L180 VanDerWaalsContact O-CB 3.31Å; M177-L180 WeakPolarHBondContact O-CB 3.31Å; M177-L180 PolarHBondContact O-N 3.19Å; M177-L180 VanDerWaalsContact O-N 3.11Å; M177-M232 HydrophobicContact CG-CE 3.91Å; M177-M232 HydrophobicContact CG-SD 3.44Å; M177-M232 WeakPolarHBondContact CG-SD 3.42Å; M177-M232 HydrophobicContact SD-SD 4.44Å; M177-R243 HydrophobicContact SD-CG 4Å
178D94.7Very high96.3Very high115 Ų11550.5 Ų50.562%0.61527%0.274SS*.Hα-helixtrans-63.4-20.7178-74.6-17.3000112.8L174 S175L174-D178 PolarHBondContact O-N 3.38Å; S175-D178 PolarHBondContact O-N 2.87Å
179Q96.6Very high96.5Very high61 Ų6150.2 Ų50.229%0.28527%0.273SS..THydrogen-bonded Turntrans-95.6-5.5178.5-64.9-57.4-45.100113.8S175 A176 M177 E181 K184 I189 Y192S175-Q179 VanDerWaalsContact O-CG 3.24Å; S175-Q179 WeakPolarHBondContact O-CG 3.45Å; S175-Q179 PolarHBondContact O-N 2.68Å; A176-Q179 PolarHBondContact O-N 3.17Å; M177-Q179 PolarHBondContact O-N 3.28Å; Q179-E181 PolarHBondContact O-N 3.29Å; Q179-K184 VanDerWaalsContact O-CD 3.26Å; Q179-K184 WeakPolarHBondContact O-CD 3.45Å; Q179-K184 PolarHBondContact O-NZ 3.11Å; Q179-I189 HydrophobicContact CB-CD1 3.87Å; Q179-I189 WeakPolarHBondContact O-CD1 3.45Å; Q179-Y192 HydrophobicContact CB-CD2 4.33Å; Q179-Y192 HydrophobicContact CB-CE2 4.13Å; Q179-Y192 HydrophobicContact CG-CD1 4.31Å; Q179-Y192 HydrophobicContact CG-CD2 4.08Å; Q179-Y192 HydrophobicContact CG-CE1 3.94Å; Q179-Y192 HydrophobicContact CG-CE2 3.71Å; Q179-Y192 HydrophobicContact CG-CG 4.37Å
180L94.6Very high96.5Very high59 Ų5950.4 Ų50.431%0.30928%0.275SS..  trans-66.2118.7-173.7-165.4139.4000111.3A176 M177 I224 I230 M232 A247A176-L180 PolarHBondContact O-N 3.11Å; M177-L180 VanDerWaalsContact O-CB 3.31Å; M177-L180 WeakPolarHBondContact O-CB 3.31Å; M177-L180 PolarHBondContact O-N 3.19Å; M177-L180 VanDerWaalsContact O-N 3.11Å; L180-I224 HydrophobicContact CG-CD1 4.27Å; L180-I230 HydrophobicContact CD1-CD1 4.37Å; L180-I230 HydrophobicContact CD1-CG1 4.14Å; L180-I230 HydrophobicContact CD1-CG2 3.74Å; L180-M232 HydrophobicContact CD1-CE 3.86Å; L180-A247 HydrophobicContact CD2-CB 4.43Å
181E96.4Very high96.7Very high117 Ų11752.7 Ų52.755%0.54729%0.292SS..  trans-151.4143.7-174.6-169179.6176.600110.6Q179 G183 K184Q179-E181 PolarHBondContact O-N 3.29Å; E181-G183 PolarHBondContact O-N 3.24Å; E181-K184 HydrophobicContact CB-CD 3.94Å; E181-K184 HydrophobicContact CB-CG 4.21Å; E181-K184 PolarHBondContact O-N 3.31Å; E181-K184 WeakPolarHBondContact OE2-CE 3.02Å; E181-K184 IonicContact OE2-NZ 2.78Å; E181-K184 PolarHBondContact OE2-NZ 2.82Å
182I97.7Very high96.9Very high77 Ų7754.4 Ų54.440%0.39529%0.294SS..THydrogen-bonded Turntrans-58.5132.5175.5-58.3-51.6000110I224 L226 A247I182-I224 HydrophobicContact CD1-CG2 3.85Å; I182-L226 HydrophobicContact CD1-CB 4.44Å; I182-A247 HydrophobicContact CD1-CB 4.23Å
183G97.9Very high96.9Very high36 Ų3654.4 Ų54.437%0.37129%0.294SS..THydrogen-bonded Turntrans89.6-13.5178.300000115.7E181 K223 I224E181-G183 PolarHBondContact O-N 3.24Å; G183-K223 VanDerWaalsContact O-CD 3.31Å; G183-K223 WeakPolarHBondContact O-CD 3.45Å; G183-K223 WeakPolarHBondContact O-CG 3.39Å; G183-I224 PolarHBondContact N-O 2.87Å
184K98.3Very high96.8Very high50 Ų5058 Ų5822%0.21731%0.313CS..  trans-70.2146.8166.1-73.3-174.7-176.4168.30110.3Q179 E181 D188 I189 K223 I224Q179-K184 VanDerWaalsContact O-CD 3.26Å; Q179-K184 WeakPolarHBondContact O-CD 3.45Å; Q179-K184 PolarHBondContact O-NZ 3.11Å; E181-K184 HydrophobicContact CB-CD 3.94Å; E181-K184 HydrophobicContact CB-CG 4.21Å; E181-K184 PolarHBondContact O-N 3.31Å; E181-K184 WeakPolarHBondContact OE2-CE 3.02Å; E181-K184 IonicContact OE2-NZ 2.78Å; E181-K184 PolarHBondContact OE2-NZ 2.82Å; K184-D188 HydrophobicContact CB-CB 4.33Å; K184-I189 HydrophobicContact CB-CD1 4.1Å; K184-I189 HydrophobicContact CB-CG1 4.33Å; K184-I189 HydrophobicContact CD-CD1 3.66Å; K184-K223 WeakPolarHBondContact O-CA 3.43Å; K184-I224 WeakPolarHBondContact O-CG1 3.3Å; K184-I224 PolarHBondContact O-N 3.48Å
185S98.2Very high96.8Very high10 Ų1056.7 Ų56.77%0.0731%0.307CS..BIsolated β-bridgetrans-84.2161177.669.30000112.5M187 D188 I189 K222S185-M187 PolarHBondContact O-N 3.28Å; S185-D188 WeakPolarHBondContact CB-OD2 3.19Å; S185-D188 PolarHBondContact N-OD2 3.25Å; S185-D188 PolarHBondContact O-N 3.2Å; S185-D188 VanDerWaalsContact O-N 3.11Å; S185-D188 PolarHBondContact OG-N 3.49Å; S185-D188 VanDerWaalsContact OG-N 3.17Å; S185-D188 PolarHBondContact OG-OD2 3.43Å; S185-I189 PolarHBondContact O-N 2.59Å; S185-K222 CarbonylContact C-O 3.47Å; S185-K222 WeakPolarHBondContact CA-O 3.39Å
186E98.2Very high96.8Very high10 Ų1059.1 Ų59.15%0.04732%0.315CS..Hα-helixtrans-55.5-36.4170.7-66.4168.7164.900111.9G190 M206 A207 T208 P219 T220 K222E186-G190 WeakPolarHBondContact O-CA 3.25Å; E186-G190 PolarHBondContact O-N 3.13Å; E186-M206 HydrophobicContact CB-CG 4.16Å; E186-M206 WeakPolarHBondContact CB-O 3.33Å; E186-M206 WeakPolarHBondContact CG-O 3.03Å; E186-M206 WeakPolarHBondContact O-CG 3.25Å; E186-A207 WeakPolarHBondContact OE1-CA 3.39Å; E186-T208 HydrophobicContact CG-CG2 3.87Å; E186-T208 PolarHBondContact OE1-N 3.42Å; E186-P219 HydrophobicContact CB-CB 4.01Å; E186-T220 WeakPolarHBondContact CB-O 3.24Å; E186-T220 PolarHBondContact N-O 3.22Å; E186-T220 WeakPolarHBondContact OE2-CB 3.32Å; E186-T220 PolarHBondContact OE2-N 3.33Å; E186-T220 PolarHBondContact OE2-OG1 2.69Å; E186-K222 HydrophobicContact CG-CB 4.41Å; E186-K222 PolarHBondContact N-O 3.13Å
187M98Very high96.6Very high97 Ų9763 Ų6348%0.47836%0.356SS..Hα-helixtrans-68.7-37.7175.1-74.3-176.3-56.100113S185 I189 G190 A191 P219 T220 A221S185-M187 PolarHBondContact O-N 3.28Å; M187-I189 VanDerWaalsContact C-N 3.31Å; M187-I189 PolarHBondContact O-N 2.85Å; M187-G190 PolarHBondContact O-N 3.26Å; M187-A191 PolarHBondContact O-N 3.02Å; M187-P219 HydrophobicContact CG-CB 4.27Å; M187-P219 WeakPolarHBondContact CG-O 3.35Å; M187-T220 WeakPolarHBondContact CG-O 3.47Å; M187-T220 PolarHBondContact N-O 3.41Å; M187-A221 HydrophobicContact CE-CB 3.93Å
188D98.3Very high96.5Very high87 Ų8762.8 Ų62.847%0.46535%0.353SS..Hα-helixtrans-61.8-42.2177.9-62.2-45000110.8K184 S185 Y192K184-D188 HydrophobicContact CB-CB 4.33Å; S185-D188 WeakPolarHBondContact CB-OD2 3.19Å; S185-D188 PolarHBondContact N-OD2 3.25Å; S185-D188 PolarHBondContact O-N 3.2Å; S185-D188 VanDerWaalsContact O-N 3.11Å; S185-D188 PolarHBondContact OG-N 3.49Å; S185-D188 VanDerWaalsContact OG-N 3.17Å; S185-D188 PolarHBondContact OG-OD2 3.43Å; D188-Y192 WeakPolarHBondContact O-CD2 3.42Å; D188-Y192 WeakPolarHBondContact O-CE2 3.35Å
189I98.1Very high96.4Very high0 Ų064.8 Ų64.80%035%0.352CS..Hα-helixtrans-78.3-40.9177-54.8-54.9000111.3A176 Q179 K184 S185 M187 A191 Y192 M206 I224A176-I189 HydrophobicContact CB-CG2 3.93Å; Q179-I189 HydrophobicContact CB-CD1 3.87Å; Q179-I189 WeakPolarHBondContact O-CD1 3.45Å; K184-I189 HydrophobicContact CB-CD1 4.1Å; K184-I189 HydrophobicContact CB-CG1 4.33Å; K184-I189 HydrophobicContact CD-CD1 3.66Å; S185-I189 PolarHBondContact O-N 2.59Å; M187-I189 VanDerWaalsContact C-N 3.31Å; M187-I189 PolarHBondContact O-N 2.85Å; I189-A191 PolarHBondContact O-N 3.25Å; I189-Y192 WeakPolarHBondContact O-CB 3.36Å; I189-Y192 WeakPolarHBondContact O-CD2 3.33Å; I189-Y192 PolarHBondContact O-N 2.73Å; I189-M206 HydrophobicContact CB-CE 4.22Å; I189-M206 HydrophobicContact CB-CG 3.91Å; I189-M206 HydrophobicContact CB-SD 4.11Å; I189-M206 HydrophobicContact CG1-CE 4.45Å; I189-M206 HydrophobicContact CG2-CE 4.02Å; I189-M206 HydrophobicContact CG2-CG 4Å; I189-M206 HydrophobicContact CG2-SD 3.61Å; I189-I224 HydrophobicContact CG1-CD1 3.95Å
190G97.3Very high96.4Very high5 Ų563.6 Ų63.65%0.05235%0.35CS..Hα-helixtrans-64.5-21.1-178.700000114E186 M187 Y192 L193E186-G190 WeakPolarHBondContact O-CA 3.25Å; E186-G190 PolarHBondContact O-N 3.13Å; M187-G190 PolarHBondContact O-N 3.26Å; G190-Y192 PolarHBondContact O-N 3.43Å; G190-L193 WeakPolarHBondContact O-CB 3.38Å; G190-L193 PolarHBondContact O-N 3.04Å
191A97Very high96.3Very high69 Ų6962.7 Ų62.757%0.5735%0.348SS*.G310 helixtrans-59.4-30.4171.200000112.7M187 I189 L193M187-A191 PolarHBondContact O-N 3.02Å; I189-A191 PolarHBondContact O-N 3.25Å; A191-L193 VanDerWaalsContact C-N 3.25Å; A191-L193 PolarHBondContact O-N 2.86Å
192Y97.7Very high96.2Very high104 Ų10459 Ų5941%0.40833%0.334SS..G310 helixtrans-79.8-6.2176.8-63-88.3000113.4C172 Q179 D188 I189 G190C172-Y192 VanDerWaalsContact CA-O 3.31Å; C172-Y192 WeakPolarHBondContact CA-O 3.36Å; C172-Y192 WeakPolarHBondContact CB-O 3.48Å; Q179-Y192 HydrophobicContact CB-CD2 4.33Å; Q179-Y192 HydrophobicContact CB-CE2 4.13Å; Q179-Y192 HydrophobicContact CG-CD1 4.31Å; Q179-Y192 HydrophobicContact CG-CD2 4.08Å; Q179-Y192 HydrophobicContact CG-CE1 3.94Å; Q179-Y192 HydrophobicContact CG-CE2 3.71Å; Q179-Y192 HydrophobicContact CG-CG 4.37Å; D188-Y192 WeakPolarHBondContact O-CD2 3.42Å; D188-Y192 WeakPolarHBondContact O-CE2 3.35Å; I189-Y192 WeakPolarHBondContact O-CB 3.36Å; I189-Y192 WeakPolarHBondContact O-CD2 3.33Å; I189-Y192 PolarHBondContact O-N 2.73Å; G190-Y192 PolarHBondContact O-N 3.43Å
193L97.8Very high96.1Very high0 Ų058.5 Ų58.50%033%0.334CS..G310 helixtrans-95.2-2.6-179.4-62.6178000113.5C172 I173 A176 G190 A191 T204 I205 M206 M232 T234 Y236C172-L193 HydrophobicContact CB-CD2 4.42Å; I173-L193 HydrophobicContact CD1-CD2 3.83Å; I173-L193 HydrophobicContact CG1-CD2 4.49Å; A176-L193 HydrophobicContact CB-CD2 3.56Å; A176-L193 HydrophobicContact CB-CG 4.03Å; G190-L193 WeakPolarHBondContact O-CB 3.38Å; G190-L193 PolarHBondContact O-N 3.04Å; A191-L193 VanDerWaalsContact C-N 3.25Å; A191-L193 PolarHBondContact O-N 2.86Å; L193-T204 HydrophobicContact CB-CG2 3.4Å; L193-T204 VanDerWaalsContact CB-CG2 3.4Å; L193-T204 HydrophobicContact CD1-CG2 3.87Å; L193-T204 HydrophobicContact CG-CG2 4.3Å; L193-I205 WeakPolarHBondContact CD1-O 3.46Å; L193-M206 HydrophobicContact CD1-CB 3.95Å; L193-M232 HydrophobicContact CD1-CB 4.1Å; L193-T234 HydrophobicContact CD2-CG2 4.18Å; L193-T234 WeakPolarHBondContact O-CB 3.45Å; L193-T234 PolarHBondContact O-OG1 3.42Å; L193-Y236 PolarHBondContact O-OH 2.83Å
194N95.3Very high96.1Very high79 Ų7957.6 Ų57.642%0.42232%0.321SS..SBendtrans-127.198.6178.4-73.1-66.7000110P200 T204 Y236N194-P200 WeakPolarHBondContact OD1-CG 3.31Å; N194-T204 PolarHBondContact ND2-OG1 3.1Å; N194-T204 VanDerWaalsContact ND2-OG1 3.13Å; N194-T204 PolarHBondContact OD1-OG1 3.02Å; N194-Y236 WeakPolarHBondContact CA-OH 3.19Å
195D92.6Very high96Very high70 Ų7057.2 Ų57.237%0.37432%0.321SS..  trans-119.4156.4-170.3-16419.4000113.1N168 C172 G197 Q198 Y236N168-D195 PolarHBondContact OD1-OD2 2.88Å; C172-D195 VanDerWaalsContact SG-CB 3.53Å; D195-G197 PolarHBondContact O-N 3.06Å; D195-Q198 PolarHBondContact O-N 3.02Å; D195-Y236 PolarHBondContact N-OH 3.1Å
196L94.4Very high95.9Very high100 Ų10056.9 Ų56.952%0.52432%0.319SS..THydrogen-bonded Turntrans55.318.7174.7-54.5-180000115.6F164 Q198F164-L196 HydrophobicContact CE2-CD1 3.92Å; F164-L196 HydrophobicContact CZ-CD1 3.79Å; L196-Q198 HydrophobicContact CB-CG 4.06Å; L196-Q198 PolarHBondContact O-N 2.83Å; L196-Q198 VanDerWaalsContact O-N 3.12Å; L196-Q198 PolarHBondContact O-NE2 3.29Å; L196-Q198 VanDerWaalsContact O-NE2 3.15Å
197G93.8Very high95.9Very high83 Ų8356.7 Ų56.786%0.85632%0.319SS*.THydrogen-bonded Turntrans61.616.5-176.700000114D195D195-G197 PolarHBondContact O-N 3.06Å
198Q94.4Very high95.8Very high89 Ų8952 Ų5242%0.41630%0.296SS..PPolyproline II helixtrans-73.2142.7178.1-60.8-55-61.900109.9F164 D195 L196 P200 Y236F164-Q198 HydrophobicContact CE1-CG 4.06Å; F164-Q198 HydrophobicContact CZ-CG 4.29Å; D195-Q198 PolarHBondContact O-N 3.02Å; L196-Q198 HydrophobicContact CB-CG 4.06Å; L196-Q198 PolarHBondContact O-N 2.83Å; L196-Q198 VanDerWaalsContact O-N 3.12Å; L196-Q198 PolarHBondContact O-NE2 3.29Å; L196-Q198 VanDerWaalsContact O-NE2 3.15Å; Q198-P200 VanDerWaalsContact O-CD 3.29Å; Q198-P200 WeakPolarHBondContact O-CD 3.43Å; Q198-Y236 HydrophobicContact CB-CD1 3.6Å; Q198-Y236 HydrophobicContact CB-CE1 3.7Å
199R92.4Very high95.7Very high158 Ų15848.7 Ų48.760%0.59628%0.282SS*.PPolyproline II helixtrans-69.9123.5175.6-176.7-173.7177.4-147.72.6109L15L15-R199 PolarHBondContact O-NH1 3.32Å; L15-R199 PolarHBondContact O-NH2 3.24Å
200P95.1Very high95.3Very high36 Ų3651.2 Ų51.223%0.23430%0.303CS..PPolyproline II helixtrans-63.6140.6171.8-23.435.8000111.6N194 Q198 V202 G235N194-P200 WeakPolarHBondContact OD1-CG 3.31Å; Q198-P200 VanDerWaalsContact O-CD 3.29Å; Q198-P200 WeakPolarHBondContact O-CD 3.43Å; P200-V202 VanDerWaalsContact C-N 3.3Å; P200-V202 VanDerWaalsContact CB-O 3.25Å; P200-V202 WeakPolarHBondContact CB-O 3.48Å; P200-G235 CarbonylContact C-O 3.41Å; P200-G235 WeakPolarHBondContact CA-O 3.35Å
201S94Very high94.8Very high39 Ų3957.1 Ų57.127%0.27332%0.324SS..SBendtrans-81-12.8173.756.60000112.9G235 Y236S201-G235 PolarHBondContact N-O 2.87Å; S201-G235 PolarHBondContact OG-O 3.44Å; S201-Y236 PolarHBondContact OG-N 3.45Å; S201-Y236 PolarHBondContact OG-O 3.39Å
202V94.8Very high94.5Very high40 Ų4060.3 Ų60.324%0.24233%0.325CS..SBendtrans-136.3164.6175.3-66.50000111P200 T204 T233 L240 E316P200-V202 VanDerWaalsContact C-N 3.3Å; P200-V202 VanDerWaalsContact CB-O 3.25Å; P200-V202 WeakPolarHBondContact CB-O 3.48Å; V202-T204 PolarHBondContact O-N 2.91Å; V202-T233 HydrophobicContact CG2-CG2 4.39Å; V202-L240 HydrophobicContact CB-CD1 4.22Å; V202-L240 HydrophobicContact CG1-CD1 3.72Å; V202-L240 HydrophobicContact CG2-CD1 3.61Å; V202-E316 HydrophobicContact CG1-CB 3.61Å; V202-E316 HydrophobicContact CG1-CG 3.63Å
203V95.2Very high94Very high67 Ų6759.9 Ų59.941%0.40633%0.326SS..  trans-61.3123.2167.31770000108.8I205 Y218V203-I205 PolarHBondContact O-N 3.27Å; V203-Y218 HydrophobicContact CG1-CD1 3.79Å; V203-Y218 HydrophobicContact CG1-CE1 3.82Å; V203-Y218 HydrophobicContact CG2-CE1 4.47Å
204T96.7Very high93.7Very high16 Ų1670 Ų7010%0.09837%0.37CS..  trans-59.9125.2172.8-500000110.1L193 N194 V202 P219L193-T204 HydrophobicContact CB-CG2 3.4Å; L193-T204 VanDerWaalsContact CB-CG2 3.4Å; L193-T204 HydrophobicContact CD1-CG2 3.87Å; L193-T204 HydrophobicContact CG-CG2 4.3Å; N194-T204 PolarHBondContact ND2-OG1 3.1Å; N194-T204 VanDerWaalsContact ND2-OG1 3.13Å; N194-T204 PolarHBondContact OD1-OG1 3.02Å; V202-T204 PolarHBondContact O-N 2.91Å; T204-P219 WeakPolarHBondContact O-CD 3.31Å
205I96.6Very high93.6Very high43 Ų4370.1 Ų70.122%0.22138%0.383CS..EExtended strand (participates in β ladder)trans-108.4126176.3-54.7178.3000107.8L193 V203 A207 S231 M232 T233L193-I205 WeakPolarHBondContact CD1-O 3.46Å; V203-I205 PolarHBondContact O-N 3.27Å; I205-A207 HydrophobicContact CG2-CB 4.28Å; I205-S231 WeakPolarHBondContact CG2-OG 3.38Å; I205-M232 CarbonylContact O-C 3.6Å; I205-M232 WeakPolarHBondContact O-CA 3.47Å; I205-T233 PolarHBondContact N-O 3.28Å; I205-T233 PolarHBondContact O-N 3.28Å
206M97.3Very high93.6Very high3 Ų369.4 Ų69.42%0.01538%0.378CS..EExtended strand (participates in β ladder)trans-137.2110.2156.4177.458.3-151.800105.9E186 I189 L193 P219 I224 I230 S231 M232E186-M206 HydrophobicContact CB-CG 4.16Å; E186-M206 WeakPolarHBondContact CB-O 3.33Å; E186-M206 WeakPolarHBondContact CG-O 3.03Å; E186-M206 WeakPolarHBondContact O-CG 3.25Å; I189-M206 HydrophobicContact CB-CE 4.22Å; I189-M206 HydrophobicContact CB-CG 3.91Å; I189-M206 HydrophobicContact CB-SD 4.11Å; I189-M206 HydrophobicContact CG1-CE 4.45Å; I189-M206 HydrophobicContact CG2-CE 4.02Å; I189-M206 HydrophobicContact CG2-CG 4Å; I189-M206 HydrophobicContact CG2-SD 3.61Å; L193-M206 HydrophobicContact CD1-CB 3.95Å; M206-P219 HydrophobicContact CB-CB 4.34Å; M206-P219 HydrophobicContact CB-CG 4.07Å; M206-I224 HydrophobicContact CE-CD1 4.23Å; M206-I230 HydrophobicContact CE-CD1 4.29Å; M206-I230 HydrophobicContact CE-CG2 4.19Å; M206-S231 CarbonylContact C-O 3.48Å; M206-S231 WeakPolarHBondContact CA-O 3.43Å; M206-M232 HydrophobicContact SD-CB 4.05Å; M206-M232 HydrophobicContact SD-CE 4.35Å
207A96.9Very high93.5Very high5 Ų569.7 Ų69.74%0.04138%0.38CS..EExtended strand (participates in β ladder)trans-129.7135.3-175.900000110.4E186 I205 R211 S231E186-A207 WeakPolarHBondContact OE1-CA 3.39Å; I205-A207 HydrophobicContact CG2-CB 4.28Å; A207-R211 HydrophobicContact CB-CB 4.39Å; A207-R211 HydrophobicContact CB-CG 3.76Å; A207-S231 PolarHBondContact N-O 3.38Å; A207-S231 PolarHBondContact O-N 3.04Å
208T97Very high93.6Very high0 Ų072.9 Ų72.90%037%0.367CS..EExtended strand (participates in β ladder)trans-115.3125.3171.1-1680000109.3E186 K222 I224 D228 R229E186-T208 HydrophobicContact CG-CG2 3.87Å; E186-T208 PolarHBondContact OE1-N 3.42Å; T208-K222 HydrophobicContact CG2-CB 4.34Å; T208-K222 HydrophobicContact CG2-CD 3.83Å; T208-K222 HydrophobicContact CG2-CG 3.75Å; T208-K222 WeakPolarHBondContact O-CD 3.31Å; T208-K222 WeakPolarHBondContact O-CE 3.5Å; T208-K222 PolarHBondContact O-NZ 3.35Å; T208-I224 HydrophobicContact CG2-CG1 4.21Å; T208-I224 WeakPolarHBondContact OG1-CA 3.22Å; T208-D228 VanDerWaalsContact OG1-CB 3.25Å; T208-D228 WeakPolarHBondContact OG1-CB 3.4Å; T208-D228 PolarHBondContact OG1-OD2 3.45Å; T208-R229 CarbonylContact C-O 3.57Å; T208-R229 WeakPolarHBondContact CA-O 3.26Å
209G94.7Very high93.7Very high16 Ų1670 Ų7017%0.16536%0.357CS..SBendtrans70.5-131.9-167.600000112.8R229G209-R229 PolarHBondContact N-O 3.18Å
210A91.2Very high93.9Very high54 Ų5464.6 Ų64.645%0.44634%0.341SS..  trans-69.5129.7-179.400000112.4E213A210-E213 HydrophobicContact CB-CG 3.78Å
211R86.7Confident94Very high129 Ų12966.2 Ų66.249%0.48736%0.357SS..SBendtrans-69.1-38.4-179.7-81.8-177172.9176.60.4114.3A207 S231A207-R211 HydrophobicContact CB-CB 4.39Å; A207-R211 HydrophobicContact CB-CG 3.76Å; R211-S231 PolarHBondContact NE-OG 3.31Å; R211-S231 PolarHBondContact NH2-OG 3.42Å
212F89.6Confident94.1Very high136 Ų13666.9 Ų66.960%0.59636%0.355SS*.  trans-117.784.2-172.3-171.6-113.2000110.4A215 N216 L217F212-A215 HydrophobicContact CE2-CB 4.42Å; F212-A215 VanDerWaalsContact CZ-CA 3.47Å; F212-A215 HydrophobicContact CZ-CB 3.98Å; F212-N216 WeakPolarHBondContact CD2-O 3.33Å; F212-L217 HydrophobicContact CD2-CD2 3.75Å; F212-L217 HydrophobicContact CD2-CG 4.28Å; F212-L217 HydrophobicContact CE2-CD2 4.06Å; F212-L217 HydrophobicContact CE2-CG 4.23Å
213E88.1Confident94.3Very high94 Ų9471.1 Ų71.144%0.43937%0.37SS..BIsolated β-bridgetrans-109137.4175.1-66.1-169.9103.400109.9A210 A215 N216 K222A210-E213 HydrophobicContact CB-CG 3.78Å; E213-A215 PolarHBondContact O-N 2.88Å; E213-A215 VanDerWaalsContact O-N 3.14Å; E213-N216 PolarHBondContact O-N 2.85Å; E213-K222 IonicContact OE2-NZ 3.61Å; E213-K222 PolarHBondContact OE2-NZ 3.12Å
214K91.1Very high94.4Very high213 Ų21368 Ų6893%0.92635%0.352SS*.THydrogen-bonded Turntrans54.333.8177-54.7177.4-178.4173.60114.1N216K214-N216 PolarHBondContact O-N 3.26Å
215A93.3Very high94.5Very high82 Ų8273.1 Ų73.168%0.67837%0.374SS*.THydrogen-bonded Turntrans58.230.1-177.300000114.7F212 E213F212-A215 HydrophobicContact CE2-CB 4.42Å; F212-A215 VanDerWaalsContact CZ-CA 3.47Å; F212-A215 HydrophobicContact CZ-CB 3.98Å; E213-A215 PolarHBondContact O-N 2.88Å; E213-A215 VanDerWaalsContact O-N 3.14Å
216N93.3Very high94.6Very high54 Ų5475.5 Ų75.529%0.28939%0.387SS..BIsolated β-bridgetrans-106.6139.1175.9-172.622.7000111.5F212 E213 K214 Y218 T220F212-N216 WeakPolarHBondContact CD2-O 3.33Å; E213-N216 PolarHBondContact O-N 2.85Å; K214-N216 PolarHBondContact O-N 3.26Å; N216-Y218 PolarHBondContact ND2-O 3.28Å; N216-Y218 WeakPolarHBondContact OD1-CD2 3.28Å; N216-Y218 PolarHBondContact OD1-N 2.69Å; N216-T220 WeakPolarHBondContact ND2-CG2 3.14Å
217L90.9Very high94.5Very high106 Ų10676 Ų7656%0.55539%0.393SS*.  trans-108.8-10.2176.7-68.1169.8000112.9F212F212-L217 HydrophobicContact CD2-CD2 3.75Å; F212-L217 HydrophobicContact CD2-CG 4.28Å; F212-L217 HydrophobicContact CE2-CD2 4.06Å; F212-L217 HydrophobicContact CE2-CG 4.23Å
218Y95.7Very high94.5Very high150 Ų15077.1 Ų77.159%0.58840%0.398SS*.SBendtrans-99.6149.2-171.4-48.8-68.1000111.9V203 N216 T220V203-Y218 HydrophobicContact CG1-CD1 3.79Å; V203-Y218 HydrophobicContact CG1-CE1 3.82Å; V203-Y218 HydrophobicContact CG2-CE1 4.47Å; N216-Y218 PolarHBondContact ND2-O 3.28Å; N216-Y218 WeakPolarHBondContact OD1-CD2 3.28Å; N216-Y218 PolarHBondContact OD1-N 2.69Å; Y218-T220 VanDerWaalsContact O-CG2 3.25Å; Y218-T220 WeakPolarHBondContact O-CG2 3.33Å; Y218-T220 PolarHBondContact O-N 3.25Å
219P96.6Very high94.4Very high30 Ų3081.1 Ų81.120%0.19541%0.413CS..  trans-49.9137.7173.5-27.534.9000112.7E186 M187 T204 M206E186-P219 HydrophobicContact CB-CB 4.01Å; M187-P219 HydrophobicContact CG-CB 4.27Å; M187-P219 WeakPolarHBondContact CG-O 3.35Å; T204-P219 WeakPolarHBondContact O-CD 3.31Å; M206-P219 HydrophobicContact CB-CB 4.34Å; M206-P219 HydrophobicContact CB-CG 4.07Å
220T96.9Very high94.5Very high43 Ų4380.9 Ų80.926%0.26441%0.408SS..  trans-122-174.4-175.473.60000113.8E186 M187 N216 Y218 K222E186-T220 WeakPolarHBondContact CB-O 3.24Å; E186-T220 PolarHBondContact N-O 3.22Å; E186-T220 WeakPolarHBondContact OE2-CB 3.32Å; E186-T220 PolarHBondContact OE2-N 3.33Å; E186-T220 PolarHBondContact OE2-OG1 2.69Å; M187-T220 WeakPolarHBondContact CG-O 3.47Å; M187-T220 PolarHBondContact N-O 3.41Å; N216-T220 WeakPolarHBondContact ND2-CG2 3.14Å; Y218-T220 VanDerWaalsContact O-CG2 3.25Å; Y218-T220 WeakPolarHBondContact O-CG2 3.33Å; Y218-T220 PolarHBondContact O-N 3.25Å; T220-K222 PolarHBondContact O-N 2.68Å; T220-K222 WeakPolarHBondContact OG1-CB 3.5Å; T220-K222 PolarHBondContact OG1-N 3.01Å
221A97Very high94.8Very high70 Ų7078.7 Ų78.758%0.57939%0.389SS*.SBendtrans-76.21.8170.800000113.2M187 K223M187-A221 HydrophobicContact CE-CB 3.93Å; A221-K223 PolarHBondContact O-N 2.85Å
222K97.2Very high95.2Very high53 Ų5372.7 Ų72.723%0.2337%0.367CS..PPolyproline II helixtrans-59.1130.8176.8-173.4-179.1-177.2179.20109.5S185 E186 T208 E213 T220S185-K222 CarbonylContact C-O 3.47Å; S185-K222 WeakPolarHBondContact CA-O 3.39Å; E186-K222 HydrophobicContact CG-CB 4.41Å; E186-K222 PolarHBondContact N-O 3.13Å; T208-K222 HydrophobicContact CG2-CB 4.34Å; T208-K222 HydrophobicContact CG2-CD 3.83Å; T208-K222 HydrophobicContact CG2-CG 3.75Å; T208-K222 WeakPolarHBondContact O-CD 3.31Å; T208-K222 WeakPolarHBondContact O-CE 3.5Å; T208-K222 PolarHBondContact O-NZ 3.35Å; E213-K222 IonicContact OE2-NZ 3.61Å; E213-K222 PolarHBondContact OE2-NZ 3.12Å; T220-K222 PolarHBondContact O-N 2.68Å; T220-K222 WeakPolarHBondContact OG1-CB 3.5Å; T220-K222 PolarHBondContact OG1-N 3.01Å
223K98.3Very high95.6Very high129 Ų12966.7 Ų66.756%0.56134%0.342SS*.BIsolated β-bridgetrans-97.3140.1-175.1-66.7-174.8170.5-1620111.1G183 K184 A221 Q225G183-K223 VanDerWaalsContact O-CD 3.31Å; G183-K223 WeakPolarHBondContact O-CD 3.45Å; G183-K223 WeakPolarHBondContact O-CG 3.39Å; K184-K223 WeakPolarHBondContact O-CA 3.43Å; A221-K223 PolarHBondContact O-N 2.85Å; K223-Q225 PolarHBondContact O-N 2.65Å
224I98.4Very high96Very high2 Ų262.2 Ų62.21%0.0132%0.321CS..PPolyproline II helixtrans-64129.5176.9-60.3163.6000109.8L180 I182 G183 K184 I189 M206 T208 I230 A247L180-I224 HydrophobicContact CG-CD1 4.27Å; I182-I224 HydrophobicContact CD1-CG2 3.85Å; G183-I224 PolarHBondContact N-O 2.87Å; K184-I224 WeakPolarHBondContact O-CG1 3.3Å; K184-I224 PolarHBondContact O-N 3.48Å; I189-I224 HydrophobicContact CG1-CD1 3.95Å; M206-I224 HydrophobicContact CE-CD1 4.23Å; T208-I224 HydrophobicContact CG2-CG1 4.21Å; T208-I224 WeakPolarHBondContact OG1-CA 3.22Å; I224-I230 HydrophobicContact CG1-CD1 4.41Å; I224-I230 HydrophobicContact CG2-CD1 4.22Å; I224-A247 HydrophobicContact CG2-CB 3.59Å
225Q98.1Very high96.3Very high124 Ų12452.1 Ų52.158%0.57928%0.277SS*.  trans-113.3157.3172.9-51.6-177.316.400110.8K223 G227 D228K223-Q225 PolarHBondContact O-N 2.65Å; Q225-G227 PolarHBondContact O-N 3.41Å; Q225-D228 WeakPolarHBondContact CA-OD2 3.48Å; Q225-D228 VanDerWaalsContact CB-OD2 3.28Å; Q225-D228 WeakPolarHBondContact CB-OD2 3.36Å; Q225-D228 PolarHBondContact N-OD2 2.94Å; Q225-D228 WeakPolarHBondContact O-CB 3.45Å; Q225-D228 PolarHBondContact O-N 3.04Å; Q225-D228 VanDerWaalsContact O-N 3.13Å
226L97.7Very high96.5Very high93 Ų9348.4 Ų48.449%0.48725%0.245SC..THydrogen-bonded Turntrans-61.5129.6175.5-176.769.1000109.9I182 D228 E253I182-L226 HydrophobicContact CD1-CB 4.44Å; L226-D228 VanDerWaalsContact C-N 3.32Å; L226-E253 HydrophobicContact CD1-CB 4.29Å; L226-E253 WeakPolarHBondContact CD1-OE2 3.46Å
227G96.1Very high96.6Very high13 Ų1348.8 Ų48.813%0.13424%0.244CC..THydrogen-bonded Turntrans84.8-2-178.100000114.7Q225 A247Q225-G227 PolarHBondContact O-N 3.41Å; G227-A247 PolarHBondContact N-O 3.11Å
228D96.8Very high96.7Very high29 Ų2943.8 Ų43.816%0.15522%0.218CC..  trans-63.1140.5176.8-85.9-23.4000111.3T208 Q225 L226 I230 Y246 A247T208-D228 VanDerWaalsContact OG1-CB 3.25Å; T208-D228 WeakPolarHBondContact OG1-CB 3.4Å; T208-D228 PolarHBondContact OG1-OD2 3.45Å; Q225-D228 WeakPolarHBondContact CA-OD2 3.48Å; Q225-D228 VanDerWaalsContact CB-OD2 3.28Å; Q225-D228 WeakPolarHBondContact CB-OD2 3.36Å; Q225-D228 PolarHBondContact N-OD2 2.94Å; Q225-D228 WeakPolarHBondContact O-CB 3.45Å; Q225-D228 PolarHBondContact O-N 3.04Å; Q225-D228 VanDerWaalsContact O-N 3.13Å; L226-D228 VanDerWaalsContact C-N 3.32Å; D228-I230 PolarHBondContact O-N 2.94Å; D228-Y246 CarbonylContact O-C 3.51Å; D228-Y246 VanDerWaalsContact O-CA 3.24Å; D228-Y246 WeakPolarHBondContact O-CA 3.47Å; D228-A247 HydrophobicContact CB-CB 4.47Å; D228-A247 PolarHBondContact O-N 2.73Å
229R95.7Very high96.5Very high84 Ų8436.7 Ų36.732%0.31719%0.191SC..EExtended strand (participates in β ladder)trans-66131.2167.7-60.9179.7-176.1-173.50.4108.7T208 G209 G245 Y246 E258 G346 Y347T208-R229 CarbonylContact C-O 3.57Å; T208-R229 WeakPolarHBondContact CA-O 3.26Å; G209-R229 PolarHBondContact N-O 3.18Å; R229-G245 CarbonylContact C-O 3.47Å; R229-G245 WeakPolarHBondContact CA-O 3.33Å; R229-Y246 HydrophobicContact CG-CD1 4.1Å; R229-Y246 HydrophobicContact CG-CE1 3.76Å; R229-E258 IonicContact CZ-OE1 3.53Å; R229-E258 IonicContact CZ-OE2 2.83Å; R229-E258 IonicContact NE-OE1 2.67Å; R229-E258 IonicContact NE-OE2 3.61Å; R229-E258 PolarHBondContact NE-OE2 3.44Å; R229-E258 IonicContact NH2-OE1 2.92Å; R229-E258 PolarHBondContact NH2-OE1 2.83Å; R229-E258 IonicContact NH2-OE2 3.91Å; R229-E258 PolarHBondContact NH2-OE2 3.3Å; R229-G346 PolarHBondContact NH2-O 3.1Å; R229-Y347 PolarHBondContact NH1-O 3.02Å
230I96.3Very high96.5Very high10 Ų1035.5 Ų35.55%0.05118%0.183CC..EExtended strand (participates in β ladder)trans-110.2138.6179-62.5-60000109.4L180 M206 I224 D228 M232 G244 G245 A247L180-I230 HydrophobicContact CD1-CD1 4.37Å; L180-I230 HydrophobicContact CD1-CG1 4.14Å; L180-I230 HydrophobicContact CD1-CG2 3.74Å; M206-I230 HydrophobicContact CE-CD1 4.29Å; M206-I230 HydrophobicContact CE-CG2 4.19Å; I224-I230 HydrophobicContact CG1-CD1 4.41Å; I224-I230 HydrophobicContact CG2-CD1 4.22Å; D228-I230 PolarHBondContact O-N 2.94Å; I230-M232 HydrophobicContact CG2-CE 3.93Å; I230-G244 WeakPolarHBondContact O-CA 3.2Å; I230-G245 PolarHBondContact N-O 2.97Å; I230-G245 PolarHBondContact O-N 3.21Å; I230-A247 HydrophobicContact CD1-CB 4.01Å; I230-A247 HydrophobicContact CG1-CB 3.85Å
231S96.2Very high96.5Very high8 Ų834.7 Ų34.76%0.05618%0.176CC..EExtended strand (participates in β ladder)trans-139.7129.2170.6161.50000109.7I205 M206 A207 R211 R243I205-S231 WeakPolarHBondContact CG2-OG 3.38Å; M206-S231 CarbonylContact C-O 3.48Å; M206-S231 WeakPolarHBondContact CA-O 3.43Å; A207-S231 PolarHBondContact N-O 3.38Å; A207-S231 PolarHBondContact O-N 3.04Å; R211-S231 PolarHBondContact NE-OG 3.31Å; R211-S231 PolarHBondContact NH2-OG 3.42Å; S231-R243 WeakPolarHBondContact CA-O 3.49Å
232M96.7Very high96.5Very high4 Ų431.4 Ų31.42%0.0215%0.149CC..EExtended strand (participates in β ladder)trans-133.6133.7172.354.1-177.271.900110.7I173 A176 M177 L180 L193 I205 M206 I230 S242 R243I173-M232 HydrophobicContact CD1-CB 4.08Å; I173-M232 HydrophobicContact CD1-CG 3.76Å; I173-M232 HydrophobicContact CD1-SD 4.11Å; I173-M232 HydrophobicContact CG2-SD 4.28Å; A176-M232 HydrophobicContact CB-SD 4.32Å; M177-M232 HydrophobicContact CG-CE 3.91Å; M177-M232 HydrophobicContact CG-SD 3.44Å; M177-M232 WeakPolarHBondContact CG-SD 3.42Å; M177-M232 HydrophobicContact SD-SD 4.44Å; L180-M232 HydrophobicContact CD1-CE 3.86Å; L193-M232 HydrophobicContact CD1-CB 4.1Å; I205-M232 CarbonylContact O-C 3.6Å; I205-M232 WeakPolarHBondContact O-CA 3.47Å; M206-M232 HydrophobicContact SD-CB 4.05Å; M206-M232 HydrophobicContact SD-CE 4.35Å; I230-M232 HydrophobicContact CG2-CE 3.93Å; M232-S242 CarbonylContact O-C 3.55Å; M232-S242 VanDerWaalsContact O-CA 3.28Å; M232-S242 WeakPolarHBondContact O-CA 3.4Å; M232-R243 HydrophobicContact CG-CB 3.71Å; M232-R243 PolarHBondContact N-O 3.06Å; M232-R243 PolarHBondContact O-N 2.88Å; M232-R243 HydrophobicContact SD-CB 4.14Å
233T97.2Very high96.4Very high10 Ų1031.9 Ų31.96%0.06115%0.149CC..EExtended strand (participates in β ladder)trans-145133.8-178.9-51.80000109.8V202 I205 L240 Q241 S242V202-T233 HydrophobicContact CG2-CG2 4.39Å; I205-T233 PolarHBondContact N-O 3.28Å; I205-T233 PolarHBondContact O-N 3.28Å; T233-L240 HydrophobicContact CG2-CD1 3.57Å; T233-L240 HydrophobicContact CG2-CD2 4.01Å; T233-L240 HydrophobicContact CG2-CG 3.87Å; T233-Q241 WeakPolarHBondContact CA-O 3.44Å; T233-S242 PolarHBondContact OG1-OG 3.26Å; T233-S242 VanDerWaalsContact OG1-OG 3.12Å
234T97.5Very high96.2Very high0 Ų026.8 Ų26.80%013%0.134CC..EExtended strand (participates in β ladder)trans-147.5150.1170.7-172.70000109.6A169 C172 I173 L193 L240 Q241A169-T234 HydrophobicContact CB-CG2 4.18Å; C172-T234 HydrophobicContact CB-CG2 3.69Å; I173-T234 HydrophobicContact CD1-CG2 4.23Å; I173-T234 HydrophobicContact CG1-CG2 4.01Å; L193-T234 HydrophobicContact CD2-CG2 4.18Å; L193-T234 WeakPolarHBondContact O-CB 3.45Å; L193-T234 PolarHBondContact O-OG1 3.42Å; T234-L240 WeakPolarHBondContact O-CA 3.24Å; T234-Q241 PolarHBondContact N-O 2.67Å; T234-Q241 PolarHBondContact O-N 3.28Å
235G97.2Very high96Very high0 Ų027.4 Ų27.40%014%0.141CC..EExtended strand (participates in β ladder)trans-152147.1179.900000111.4P200 S201 G239P200-G235 CarbonylContact C-O 3.41Å; P200-G235 WeakPolarHBondContact CA-O 3.35Å; S201-G235 PolarHBondContact N-O 2.87Å; S201-G235 PolarHBondContact OG-O 3.44Å; G235-G239 WeakPolarHBondContact CA-O 3.17Å
236Y96.8Very high95.9Very high5 Ų522.8 Ų22.82%0.0212%0.118CC..EExtended strand (participates in β ladder)trans-132.6178.6174.1-57.9-78.9000108.7N168 A169 L193 N194 D195 Q198 S201 G238 G239N168-Y236 HydrophobicContact CB-CD2 3.92Å; N168-Y236 HydrophobicContact CB-CE2 4.11Å; N168-Y236 WeakPolarHBondContact ND2-CD2 3.37Å; N168-Y236 WeakPolarHBondContact ND2-CE2 3.49Å; A169-Y236 HydrophobicContact CB-CD2 3.92Å; A169-Y236 HydrophobicContact CB-CE2 4.32Å; L193-Y236 PolarHBondContact O-OH 2.83Å; N194-Y236 WeakPolarHBondContact CA-OH 3.19Å; D195-Y236 PolarHBondContact N-OH 3.1Å; Q198-Y236 HydrophobicContact CB-CD1 3.6Å; Q198-Y236 HydrophobicContact CB-CE1 3.7Å; S201-Y236 PolarHBondContact OG-N 3.45Å; S201-Y236 PolarHBondContact OG-O 3.39Å; Y236-G238 PolarHBondContact O-N 3.41Å; Y236-G238 VanDerWaalsContact O-N 3.16Å; Y236-G239 PolarHBondContact N-O 2.94Å; Y236-G239 PolarHBondContact O-N 3.22Å; Y236-G239 VanDerWaalsContact O-O 3.05Å
237K95.2Very high95.9Very high61 Ų6118.6 Ų18.627%0.26510%0.097SC..THydrogen-bonded Turntrans-54.2123.3170.8-64.2-172.5162-142.50109.9E22 Y162 G165 D314E22-K237 IonicContact OE1-NZ 2.69Å; E22-K237 PolarHBondContact OE1-NZ 2.78Å; E22-K237 IonicContact OE2-NZ 3.49Å; E22-K237 PolarHBondContact OE2-NZ 3.38Å; Y162-K237 HydrophobicContact CD1-CB 4.36Å; Y162-K237 HydrophobicContact CE1-CB 4.41Å; G165-K237 VanDerWaalsContact CA-O 3.25Å; G165-K237 WeakPolarHBondContact CA-O 3.37Å; K237-D314 HydrophobicContact CD-CB 4.48Å; K237-D314 VanDerWaalsContact CD-OD1 3.29Å; K237-D314 WeakPolarHBondContact CD-OD1 3.36Å; K237-D314 WeakPolarHBondContact CE-OD1 3.16Å; K237-D314 HydrophobicContact CG-CB 4.46Å; K237-D314 IonicContact NZ-OD1 2.69Å; K237-D314 PolarHBondContact NZ-OD1 2.89Å
238G94.2Very high95.9Very high1 Ų120.1 Ų20.11%0.0110%0.103CC..THydrogen-bonded Turntrans100.9-8.5-179.500000115Y162 Y236 A313Y162-G238 VanDerWaalsContact CD1-CA 3.41Å; Y236-G238 PolarHBondContact O-N 3.41Å; Y236-G238 VanDerWaalsContact O-N 3.16Å; G238-A313 PolarHBondContact N-O 3.36Å
239G90.5Very high95.7Very high1 Ų126 Ų261%0.0113%0.13CC..EExtended strand (participates in β ladder)trans158.7166165.500000115.8G235 Y236G235-G239 WeakPolarHBondContact CA-O 3.17Å; Y236-G239 PolarHBondContact N-O 2.94Å; Y236-G239 PolarHBondContact O-N 3.22Å; Y236-G239 VanDerWaalsContact O-O 3.05Å
240L96.5Very high95.7Very high6 Ų624.5 Ų24.53%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-111.6155.3173.8168.8155.6000110.8V202 T233 T234 E316 E353V202-L240 HydrophobicContact CB-CD1 4.22Å; V202-L240 HydrophobicContact CG1-CD1 3.72Å; V202-L240 HydrophobicContact CG2-CD1 3.61Å; T233-L240 HydrophobicContact CG2-CD1 3.57Å; T233-L240 HydrophobicContact CG2-CD2 4.01Å; T233-L240 HydrophobicContact CG2-CG 3.87Å; T234-L240 WeakPolarHBondContact O-CA 3.24Å; L240-E316 HydrophobicContact CB-CG 3.66Å; L240-E316 HydrophobicContact CD1-CG 3.52Å; L240-E316 HydrophobicContact CG-CG 4.21Å; L240-E353 HydrophobicContact CD2-CB 4.44Å
241Q96.7Very high95.5Very high25 Ų2526.7 Ų26.712%0.11715%0.148CC..EExtended strand (participates in β ladder)trans-131.3134.7170-61.8-73.9-47.100109.3A169 I173 T233 T234 R243 E353 G354A169-Q241 HydrophobicContact CB-CB 4.22Å; A169-Q241 HydrophobicContact CB-CG 3.7Å; I173-Q241 HydrophobicContact CB-CB 4.48Å; I173-Q241 HydrophobicContact CG1-CB 3.58Å; T233-Q241 WeakPolarHBondContact CA-O 3.44Å; T234-Q241 PolarHBondContact N-O 2.67Å; T234-Q241 PolarHBondContact O-N 3.28Å; Q241-R243 VanDerWaalsContact OE1-NH2 3.16Å; Q241-E353 PolarHBondContact OE1-O 3.09Å; Q241-G354 VanDerWaalsContact NE2-CA 3.26Å
242S96.4Very high95.4Very high2 Ų232.6 Ų32.61%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-137136-179.7-172.90000110.9M232 T233 C352 E353M232-S242 CarbonylContact O-C 3.55Å; M232-S242 VanDerWaalsContact O-CA 3.28Å; M232-S242 WeakPolarHBondContact O-CA 3.4Å; T233-S242 PolarHBondContact OG1-OG 3.26Å; T233-S242 VanDerWaalsContact OG1-OG 3.12Å; S242-C352 WeakPolarHBondContact O-CA 3.28Å; S242-E353 VanDerWaalsContact CB-CD 3.43Å; S242-E353 WeakPolarHBondContact CB-OE2 3.45Å; S242-E353 PolarHBondContact O-N 2.9Å; S242-E353 VanDerWaalsContact O-N 3.12Å
243R95.9Very high95.4Very high62 Ų6235.7 Ų35.723%0.23419%0.193CC..EExtended strand (participates in β ladder)trans-129.4132.6174.2-60.4-67.8177.8-90.8-2.8110.9I173 M177 S231 M232 Q241 S351 C352 E353I173-R243 HydrophobicContact CG2-CB 4.45Å; I173-R243 HydrophobicContact CG2-CG 3.44Å; I173-R243 VanDerWaalsContact CG2-CG 3.44Å; M177-R243 HydrophobicContact SD-CG 4Å; S231-R243 WeakPolarHBondContact CA-O 3.49Å; M232-R243 HydrophobicContact CG-CB 3.71Å; M232-R243 PolarHBondContact N-O 3.06Å; M232-R243 PolarHBondContact O-N 2.88Å; M232-R243 HydrophobicContact SD-CB 4.14Å; Q241-R243 VanDerWaalsContact OE1-NH2 3.16Å; R243-S351 CarbonylContact C-O 3.42Å; R243-S351 VanDerWaalsContact CA-O 3.23Å; R243-S351 WeakPolarHBondContact CA-O 3.46Å; R243-C352 VanDerWaalsContact CZ-SG 3.57Å; R243-E353 PolarHBondContact NH1-O 2.65Å
244G94.4Very high95.4Very high23 Ų2335.8 Ų35.824%0.23719%0.193CC..EExtended strand (participates in β ladder)trans-125144.1176.500000112.1I230 S351I230-G244 WeakPolarHBondContact O-CA 3.2Å; G244-S351 PolarHBondContact N-O 3.13Å
245G94.3Very high95.3Very high15 Ų1537.8 Ų37.816%0.15521%0.207CC..EExtended strand (participates in β ladder)trans177.7-146.117900000113.1R229 I230R229-G245 CarbonylContact C-O 3.47Å; R229-G245 WeakPolarHBondContact CA-O 3.33Å; I230-G245 PolarHBondContact N-O 2.97Å; I230-G245 PolarHBondContact O-N 3.21Å
246Y96.1Very high95.1Very high27 Ų2744.9 Ų44.911%0.10624%0.24CC..EExtended strand (participates in β ladder)trans-134.3148.5178.7-61.7-102.8000110.7D228 R229 V248 L254 P255 E258 Y261 S348D228-Y246 CarbonylContact O-C 3.51Å; D228-Y246 VanDerWaalsContact O-CA 3.24Å; D228-Y246 WeakPolarHBondContact O-CA 3.47Å; R229-Y246 HydrophobicContact CG-CD1 4.1Å; R229-Y246 HydrophobicContact CG-CE1 3.76Å; Y246-V248 PolarHBondContact O-N 2.97Å; Y246-V248 VanDerWaalsContact O-N 3.12Å; Y246-L254 HydrophobicContact CD1-CD2 4Å; Y246-L254 HydrophobicContact CD2-CD2 3.75Å; Y246-L254 HydrophobicContact CE1-CD2 4.44Å; Y246-L254 HydrophobicContact CE2-CD2 4.27Å; Y246-L254 HydrophobicContact CG-CD2 3.62Å; Y246-P255 HydrophobicContact CD1-CG 4.49Å; Y246-P255 HydrophobicContact CE1-CG 4.35Å; Y246-E258 VanDerWaalsContact CE1-OE2 3.26Å; Y246-E258 WeakPolarHBondContact CE1-OE2 3.2Å; Y246-E258 VanDerWaalsContact CZ-OE2 3.23Å; Y246-E258 PolarHBondContact OH-OE2 3.3Å; Y246-Y261 AromaticContact CD2-CD1 3.95Å; Y246-Y261 HydrophobicContact CD2-CD1 3.95Å; Y246-Y261 AromaticContact CD2-CE1 3.87Å; Y246-Y261 HydrophobicContact CD2-CE1 3.87Å; Y246-Y261 HydrophobicContact CD2-CG 4.33Å; Y246-Y261 AromaticContact CE2-CD1 3.64Å; Y246-Y261 HydrophobicContact CE2-CD1 3.64Å; Y246-Y261 AromaticContact CE2-CD2 3.58Å; Y246-Y261 HydrophobicContact CE2-CD2 3.58Å; Y246-Y261 AromaticContact CE2-CE1 3.7Å; Y246-Y261 HydrophobicContact CE2-CE1 3.7Å; Y246-Y261 AromaticContact CE2-CE2 3.64Å; Y246-Y261 HydrophobicContact CE2-CE2 3.64Å; Y246-Y261 AromaticContact CE2-CG 3.58Å; Y246-Y261 HydrophobicContact CE2-CG 3.58Å; Y246-Y261 AromaticContact CE2-CZ 3.69Å; Y246-S348 VanDerWaalsContact CZ-CB 3.4Å; Y246-S348 WeakPolarHBondContact OH-CB 3.15Å; Y246-S348 PolarHBondContact OH-N 3.23Å
247A96.5Very high94.9Very high4 Ų447.7 Ų47.73%0.03327%0.27CS..SBendtrans-81.280.1170.900000110.1L180 I182 I224 G227 D228 I230L180-A247 HydrophobicContact CD2-CB 4.43Å; I182-A247 HydrophobicContact CD1-CB 4.23Å; I224-A247 HydrophobicContact CG2-CB 3.59Å; G227-A247 PolarHBondContact N-O 3.11Å; D228-A247 HydrophobicContact CB-CB 4.47Å; D228-A247 PolarHBondContact O-N 2.73Å; I230-A247 HydrophobicContact CD1-CB 4.01Å; I230-A247 HydrophobicContact CG1-CB 3.85Å
248V96.3Very high94.8Very high45 Ų4545.9 Ų45.927%0.27326%0.262SS..  trans-139.8152.4-179.9-65.10000110.7Y246 E253 L254Y246-V248 PolarHBondContact O-N 2.97Å; Y246-V248 VanDerWaalsContact O-N 3.12Å; V248-E253 HydrophobicContact CB-CB 3.99Å; V248-E253 HydrophobicContact CG1-CB 3.83Å; V248-E253 WeakPolarHBondContact CG1-O 3.43Å; V248-L254 HydrophobicContact CG1-CD2 4.38Å; V248-L254 HydrophobicContact CG2-CD2 4.17Å
249H94.1Very high94.9Very high154 Ų15450.4 Ų50.471%0.71328%0.282SS*.SBendtrans-89.5-30.2175.2-50.275.2000111.3E253H249-E253 WeakPolarHBondContact CA-OE2 3.38Å; H249-E253 WeakPolarHBondContact CB-OE2 3.18Å; H249-E253 IonicContact CG-OE2 3.59Å; H249-E253 PolarHBondContact N-OE2 2.87Å; H249-E253 IonicContact ND1-OE1 3.84Å; H249-E253 IonicContact ND1-OE2 3.34Å; H249-E253 PolarHBondContact ND1-OE2 3.34Å
250S94.5Very high95.1Very high51 Ų5153.8 Ų53.836%0.35730%0.3SS..SBendtrans-144.6166.3177.277.40000111.4D252 E253S250-D252 PolarHBondContact O-N 3.24Å; S250-D252 PolarHBondContact OG-N 2.97Å; S250-E253 PolarHBondContact O-N 2.94Å
251S92.2Very high95.1Very high56 Ų5654.2 Ų54.239%0.39230%0.301SS..G310 helixtrans-62.1-22.7176.550.20000113.7E253 L254S251-E253 PolarHBondContact O-N 3.37Å; S251-L254 WeakPolarHBondContact O-CB 3.41Å; S251-L254 WeakPolarHBondContact O-CD1 3.46Å; S251-L254 WeakPolarHBondContact O-CG 3.38Å; S251-L254 PolarHBondContact O-N 2.83Å
252D94.3Very high95Very high133 Ų13356.6 Ų56.671%0.71131%0.314SS*.G310 helixtrans-71.1-19.6-178.8-62-24.7000112.3S250S250-D252 PolarHBondContact O-N 3.24Å; S250-D252 PolarHBondContact OG-N 2.97Å
253E96.7Very high95Very high69 Ų6961.3 Ų61.332%0.32234%0.339SS..G310 helixtrans-90.60.1178.9-60178.715200113L226 V248 H249 S250 S251L226-E253 HydrophobicContact CD1-CB 4.29Å; L226-E253 WeakPolarHBondContact CD1-OE2 3.46Å; V248-E253 HydrophobicContact CB-CB 3.99Å; V248-E253 HydrophobicContact CG1-CB 3.83Å; V248-E253 WeakPolarHBondContact CG1-O 3.43Å; H249-E253 WeakPolarHBondContact CA-OE2 3.38Å; H249-E253 WeakPolarHBondContact CB-OE2 3.18Å; H249-E253 IonicContact CG-OE2 3.59Å; H249-E253 PolarHBondContact N-OE2 2.87Å; H249-E253 IonicContact ND1-OE1 3.84Å; H249-E253 IonicContact ND1-OE2 3.34Å; H249-E253 PolarHBondContact ND1-OE2 3.34Å; S250-E253 PolarHBondContact O-N 2.94Å; S251-E253 PolarHBondContact O-N 3.37Å
254L96.8Very high95Very high11 Ų1161.9 Ų61.96%0.05834%0.342CS..SBendtrans-63.7149.1173.4-71168.6000110.8Y246 V248 S251Y246-L254 HydrophobicContact CD1-CD2 4Å; Y246-L254 HydrophobicContact CD2-CD2 3.75Å; Y246-L254 HydrophobicContact CE1-CD2 4.44Å; Y246-L254 HydrophobicContact CE2-CD2 4.27Å; Y246-L254 HydrophobicContact CG-CD2 3.62Å; V248-L254 HydrophobicContact CG1-CD2 4.38Å; V248-L254 HydrophobicContact CG2-CD2 4.17Å; S251-L254 WeakPolarHBondContact O-CB 3.41Å; S251-L254 WeakPolarHBondContact O-CD1 3.46Å; S251-L254 WeakPolarHBondContact O-CG 3.38Å; S251-L254 PolarHBondContact O-N 2.83Å
255P95.7Very high95Very high43 Ų4361 Ų6128%0.27933%0.331SS..  trans-52.2144.4173.3-25.534.1000112.1Y246 G257 E258 K259Y246-P255 HydrophobicContact CD1-CG 4.49Å; Y246-P255 HydrophobicContact CE1-CG 4.35Å; P255-G257 PolarHBondContact O-N 3.2Å; P255-G257 VanDerWaalsContact O-N 3.07Å; P255-E258 HydrophobicContact CB-CB 4.28Å; P255-E258 HydrophobicContact CB-CG 4.36Å; P255-E258 CarbonylContact O-C 3.58Å; P255-E258 WeakPolarHBondContact O-CA 3.45Å; P255-E258 PolarHBondContact O-N 3.07Å; P255-K259 PolarHBondContact O-N 2.96Å
256E92.6Very high95.1Very high149 Ų14961.3 Ų61.370%0.69633%0.332SS*.G310 helixtrans-54-36.6-170.6-168.363.1-138.500114E258 K259E256-E258 VanDerWaalsContact C-N 3.28Å; E256-E258 PolarHBondContact O-N 3.34Å; E256-K259 IonicContact OE1-NZ 2.71Å; E256-K259 PolarHBondContact OE1-NZ 3.05Å; E256-K259 VanDerWaalsContact OE2-CE 3.3Å; E256-K259 WeakPolarHBondContact OE2-CE 3.07Å; E256-K259 IonicContact OE2-NZ 2.59Å; E256-K259 PolarHBondContact OE2-NZ 3.1Å
257G92.1Very high95.1Very high64 Ų6465.5 Ų65.566%0.6635%0.351SS*.G310 helixtrans-82.52.2177.900000115.1P255P255-G257 PolarHBondContact O-N 3.2Å; P255-G257 VanDerWaalsContact O-N 3.07Å
258E95Very high95.2Very high22 Ų2266.4 Ų66.410%0.10336%0.356CS..G310 helixtrans-133.112.4-170.3-57.2179.4-122.400111.9R229 Y246 P255 E256 D260 Y261 Y347R229-E258 IonicContact CZ-OE1 3.53Å; R229-E258 IonicContact CZ-OE2 2.83Å; R229-E258 IonicContact NE-OE1 2.67Å; R229-E258 IonicContact NE-OE2 3.61Å; R229-E258 PolarHBondContact NE-OE2 3.44Å; R229-E258 IonicContact NH2-OE1 2.92Å; R229-E258 PolarHBondContact NH2-OE1 2.83Å; R229-E258 IonicContact NH2-OE2 3.91Å; R229-E258 PolarHBondContact NH2-OE2 3.3Å; Y246-E258 VanDerWaalsContact CE1-OE2 3.26Å; Y246-E258 WeakPolarHBondContact CE1-OE2 3.2Å; Y246-E258 VanDerWaalsContact CZ-OE2 3.23Å; Y246-E258 PolarHBondContact OH-OE2 3.3Å; P255-E258 HydrophobicContact CB-CB 4.28Å; P255-E258 HydrophobicContact CB-CG 4.36Å; P255-E258 CarbonylContact O-C 3.58Å; P255-E258 WeakPolarHBondContact O-CA 3.45Å; P255-E258 PolarHBondContact O-N 3.07Å; E256-E258 VanDerWaalsContact C-N 3.28Å; E256-E258 PolarHBondContact O-N 3.34Å; E258-D260 PolarHBondContact O-N 3.14Å; E258-Y261 WeakPolarHBondContact O-CB 3.34Å; E258-Y261 PolarHBondContact O-N 3.03Å; E258-Y347 HydrophobicContact CB-CD1 4.46Å; E258-Y347 HydrophobicContact CG-CD1 4.44Å
259K95Very high95.2Very high96 Ų9664.6 Ų64.642%0.41735%0.345SS..THydrogen-bonded Turntrans-60.9-28.2-177.7-76.6-175.7175.41630114.3P255 E256 Y261P255-K259 PolarHBondContact O-N 2.96Å; E256-K259 IonicContact OE1-NZ 2.71Å; E256-K259 PolarHBondContact OE1-NZ 3.05Å; E256-K259 VanDerWaalsContact OE2-CE 3.3Å; E256-K259 WeakPolarHBondContact OE2-CE 3.07Å; E256-K259 IonicContact OE2-NZ 2.59Å; E256-K259 PolarHBondContact OE2-NZ 3.1Å; K259-Y261 VanDerWaalsContact C-N 3.31Å
260D95.3Very high95.3Very high73 Ų7364.1 Ų64.139%0.3934%0.341SS..THydrogen-bonded Turntrans-89.210.3175.968.9-28.5000112.9E258 L262 D263 R264 Y347E258-D260 PolarHBondContact O-N 3.14Å; D260-L262 PolarHBondContact O-N 2.74Å; D260-D263 PolarHBondContact O-N 3.46Å; D260-R264 WeakPolarHBondContact O-CB 3.41Å; D260-R264 PolarHBondContact O-N 2.8Å; D260-Y347 PolarHBondContact OD1-OH 3.02Å; D260-Y347 VanDerWaalsContact OD1-OH 3.06Å
261Y96.4Very high95.5Very high15 Ų1564.8 Ų64.86%0.05934%0.341CS..Hα-helixtrans-46.2-41.2-179.2164.4-105.9000113.6Y246 E258 K259 I265 A266 Y347 G349 A350Y246-Y261 AromaticContact CD2-CD1 3.95Å; Y246-Y261 HydrophobicContact CD2-CD1 3.95Å; Y246-Y261 AromaticContact CD2-CE1 3.87Å; Y246-Y261 HydrophobicContact CD2-CE1 3.87Å; Y246-Y261 HydrophobicContact CD2-CG 4.33Å; Y246-Y261 AromaticContact CE2-CD1 3.64Å; Y246-Y261 HydrophobicContact CE2-CD1 3.64Å; Y246-Y261 AromaticContact CE2-CD2 3.58Å; Y246-Y261 HydrophobicContact CE2-CD2 3.58Å; Y246-Y261 AromaticContact CE2-CE1 3.7Å; Y246-Y261 HydrophobicContact CE2-CE1 3.7Å; Y246-Y261 AromaticContact CE2-CE2 3.64Å; Y246-Y261 HydrophobicContact CE2-CE2 3.64Å; Y246-Y261 AromaticContact CE2-CG 3.58Å; Y246-Y261 HydrophobicContact CE2-CG 3.58Å; Y246-Y261 AromaticContact CE2-CZ 3.69Å; E258-Y261 WeakPolarHBondContact O-CB 3.34Å; E258-Y261 PolarHBondContact O-N 3.03Å; K259-Y261 VanDerWaalsContact C-N 3.31Å; Y261-I265 HydrophobicContact CD2-CB 3.8Å; Y261-I265 HydrophobicContact CD2-CG1 3.97Å; Y261-I265 HydrophobicContact CD2-CG2 4.41Å; Y261-I265 HydrophobicContact CE2-CB 3.76Å; Y261-I265 HydrophobicContact CE2-CG1 4.29Å; Y261-I265 HydrophobicContact CE2-CG2 3.89Å; Y261-I265 WeakPolarHBondContact O-CA 3.45Å; Y261-I265 PolarHBondContact O-N 3.04Å; Y261-A266 HydrophobicContact CD1-CB 4.45Å; Y261-A266 HydrophobicContact CE1-CB 3.89Å; Y261-A266 PolarHBondContact O-N 2.86Å; Y261-Y347 HydrophobicContact CD2-CD1 4.38Å; Y261-G349 PolarHBondContact OH-O 3.38Å; Y261-A350 WeakPolarHBondContact OH-CA 3.46Å; Y261-A350 WeakPolarHBondContact OH-CB 3.49Å
262L95.3Very high95.7Very high75 Ų7562.1 Ų62.139%0.39332%0.322SS..Iπ-helixtrans-61-47.7179.2-66.5-178.1000111.8D260 A266 K267D260-L262 PolarHBondContact O-N 2.74Å; L262-A266 HydrophobicContact CD2-CB 4.07Å; L262-A266 PolarHBondContact O-N 2.84Å; L262-K267 VanDerWaalsContact O-CB 3.29Å; L262-K267 WeakPolarHBondContact O-CB 3.48Å; L262-K267 VanDerWaalsContact O-CG 3.26Å; L262-K267 WeakPolarHBondContact O-CG 3.47Å; L262-K267 PolarHBondContact O-N 2.82Å
263D95.7Very high95.8Very high101 Ų10156.5 Ų56.554%0.5429%0.292SS..Iπ-helixtrans-76.8-36.1179.9-69.3-50.3000112.2D260 K267 P268D260-D263 PolarHBondContact O-N 3.46Å; D263-K267 WeakPolarHBondContact OD1-CD 3.48Å; D263-K267 WeakPolarHBondContact OD1-CE 2.98Å; D263-K267 IonicContact OD1-NZ 3.03Å; D263-K267 PolarHBondContact OD1-NZ 3.44Å; D263-K267 IonicContact OD2-NZ 3.67Å; D263-P268 VanDerWaalsContact O-CD 3.27Å; D263-P268 WeakPolarHBondContact O-CD 3.18Å; D263-P268 WeakPolarHBondContact O-CG 3.43Å
264R95.2Very high95.8Very high74 Ų7457.3 Ų57.328%0.27930%0.295SS..Iπ-helixtrans-77.7-35.5-174.9-175.461.2-179.8121.31.9113.4D260 Y302 Y347D260-R264 WeakPolarHBondContact O-CB 3.41Å; D260-R264 PolarHBondContact O-N 2.8Å; R264-Y302 WeakPolarHBondContact O-CE1 3.46Å; R264-Y347 HydrophobicContact CB-CE1 4.17Å; R264-Y347 HydrophobicContact CG-CE1 4.01Å; R264-Y347 HydrophobicContact CG-CE2 4.04Å
265I95.7Very high95.8Very high4 Ų457.4 Ų57.42%0.02130%0.296CS..Iπ-helixtrans-127.9-59.4-171.5-50.9-64.7000111.6Y261 P268 Y269 V344 Y347 A350Y261-I265 HydrophobicContact CD2-CB 3.8Å; Y261-I265 HydrophobicContact CD2-CG1 3.97Å; Y261-I265 HydrophobicContact CD2-CG2 4.41Å; Y261-I265 HydrophobicContact CE2-CB 3.76Å; Y261-I265 HydrophobicContact CE2-CG1 4.29Å; Y261-I265 HydrophobicContact CE2-CG2 3.89Å; Y261-I265 WeakPolarHBondContact O-CA 3.45Å; Y261-I265 PolarHBondContact O-N 3.04Å; I265-P268 WeakPolarHBondContact O-CD 3.33Å; I265-Y269 WeakPolarHBondContact O-CB 3.29Å; I265-Y269 PolarHBondContact O-N 2.97Å; I265-V344 HydrophobicContact CD1-CB 3.51Å; I265-V344 HydrophobicContact CD1-CG1 3.96Å; I265-V344 HydrophobicContact CD1-CG2 3.39Å; I265-Y347 HydrophobicContact CD1-CD2 4.35Å; I265-Y347 HydrophobicContact CD1-CG 4.09Å; I265-Y347 HydrophobicContact CG1-CD1 3.89Å; I265-Y347 HydrophobicContact CG1-CG 3.83Å; I265-A350 HydrophobicContact CG2-CB 3.79Å
266A95.9Very high95.8Very high21 Ų2155.3 Ų55.317%0.17428%0.282CS..Iπ-helixtrans-67.9-43.7-164.800000113.7Y261 L262 Y269 F270Y261-A266 HydrophobicContact CD1-CB 4.45Å; Y261-A266 HydrophobicContact CE1-CB 3.89Å; Y261-A266 PolarHBondContact O-N 2.86Å; L262-A266 HydrophobicContact CD2-CB 4.07Å; L262-A266 PolarHBondContact O-N 2.84Å; A266-Y269 PolarHBondContact O-N 3.13Å; A266-F270 WeakPolarHBondContact O-CB 3.26Å; A266-F270 PolarHBondContact O-N 3.29Å
267K96.7Very high95.9Very high116 Ų11652 Ų5250%0.50427%0.269SS..Hα-helixtrans-68.1-47.7178.2-70173.2-171.1172.50112.2L262 D263 Y269 F270 N271L262-K267 VanDerWaalsContact O-CB 3.29Å; L262-K267 WeakPolarHBondContact O-CB 3.48Å; L262-K267 VanDerWaalsContact O-CG 3.26Å; L262-K267 WeakPolarHBondContact O-CG 3.47Å; L262-K267 PolarHBondContact O-N 2.82Å; D263-K267 WeakPolarHBondContact OD1-CD 3.48Å; D263-K267 WeakPolarHBondContact OD1-CE 2.98Å; D263-K267 IonicContact OD1-NZ 3.03Å; D263-K267 PolarHBondContact OD1-NZ 3.44Å; D263-K267 IonicContact OD2-NZ 3.67Å; K267-Y269 VanDerWaalsContact C-N 3.3Å; K267-Y269 PolarHBondContact O-N 2.97Å; K267-F270 PolarHBondContact O-N 2.9Å; K267-N271 PolarHBondContact O-N 3.44Å
268P97.1Very high96.1Very high22 Ų2254.5 Ų54.514%0.14326%0.263CS..Hα-helixtrans-57-42.2171.4-26.934.3000113.1D263 I265 N271 A272 L297 Y302D263-P268 VanDerWaalsContact O-CD 3.27Å; D263-P268 WeakPolarHBondContact O-CD 3.18Å; D263-P268 WeakPolarHBondContact O-CG 3.43Å; I265-P268 WeakPolarHBondContact O-CD 3.33Å; P268-N271 WeakPolarHBondContact O-CB 2.82Å; P268-N271 PolarHBondContact O-N 3.08Å; P268-A272 PolarHBondContact O-N 3.48Å; P268-L297 HydrophobicContact CB-CD1 4.13Å; P268-Y302 HydrophobicContact CB-CE1 3.9Å; P268-Y302 WeakPolarHBondContact CB-OH 3.4Å; P268-Y302 HydrophobicContact CG-CE1 4.26Å; P268-Y302 WeakPolarHBondContact CG-OH 3.38Å
269Y97.2Very high96.1Very high7 Ų755 Ų553%0.02727%0.268CS..Hα-helixtrans-63.1-46.8177.1178.5-104.1000112.4I265 A266 K267 N271 A272 V273 I340 P342 A350 C352I265-Y269 WeakPolarHBondContact O-CB 3.29Å; I265-Y269 PolarHBondContact O-N 2.97Å; A266-Y269 PolarHBondContact O-N 3.13Å; K267-Y269 VanDerWaalsContact C-N 3.3Å; K267-Y269 PolarHBondContact O-N 2.97Å; Y269-N271 VanDerWaalsContact C-N 3.27Å; Y269-N271 PolarHBondContact O-N 3.19Å; Y269-A272 WeakPolarHBondContact O-CA 3.47Å; Y269-A272 WeakPolarHBondContact O-CB 3.33Å; Y269-A272 PolarHBondContact O-N 3.42Å; Y269-V273 HydrophobicContact CD1-CG2 4.28Å; Y269-V273 HydrophobicContact CE1-CG2 3.73Å; Y269-V273 HydrophobicContact CE2-CG2 4.07Å; Y269-V273 PolarHBondContact O-N 3.11Å; Y269-I340 HydrophobicContact CD2-CG2 4.4Å; Y269-I340 HydrophobicContact CE2-CB 3.9Å; Y269-I340 HydrophobicContact CE2-CG2 4.01Å; Y269-I340 WeakPolarHBondContact CE2-O 3.29Å; Y269-I340 PolarHBondContact OH-O 2.9Å; Y269-P342 HydrophobicContact CD2-CG 3.85Å; Y269-P342 HydrophobicContact CE2-CG 4.37Å; Y269-A350 HydrophobicContact CD1-CB 3.76Å; Y269-A350 WeakPolarHBondContact CD1-O 3.34Å; Y269-A350 HydrophobicContact CE1-CB 4.43Å; Y269-A350 WeakPolarHBondContact CE1-O 3.03Å; Y269-A350 HydrophobicContact CG-CB 3.91Å; Y269-C352 HydrophobicContact CE1-CB 3.77Å; Y269-C352 PolarHBondContact OH-N 2.86Å; Y269-C352 PolarHBondContact OH-O 3.21Å
270F96.8Very high96.1Very high144 Ų14451.5 Ų51.563%0.63225%0.254SS*.Hα-helixtrans-56.1-43.5174177.8-88000111.4A266 K267 A272 V273 K274A266-F270 WeakPolarHBondContact O-CB 3.26Å; A266-F270 PolarHBondContact O-N 3.29Å; K267-F270 PolarHBondContact O-N 2.9Å; F270-A272 VanDerWaalsContact C-N 3.31Å; F270-A272 PolarHBondContact O-N 3.04Å; F270-V273 PolarHBondContact O-N 3.42Å; F270-K274 WeakPolarHBondContact O-CB 3.23Å; F270-K274 PolarHBondContact O-N 3.39Å
271N97.5Very high96Very high66 Ų6650.2 Ų50.235%0.35325%0.253SS..Hα-helixtrans-63.1-36.6175.7-175.565.4000112.2K267 P268 Y269 T275K267-N271 PolarHBondContact O-N 3.44Å; P268-N271 WeakPolarHBondContact O-CB 2.82Å; P268-N271 PolarHBondContact O-N 3.08Å; Y269-N271 VanDerWaalsContact C-N 3.27Å; Y269-N271 PolarHBondContact O-N 3.19Å; N271-T275 VanDerWaalsContact O-CB 3.28Å; N271-T275 WeakPolarHBondContact O-CB 3.26Å; N271-T275 PolarHBondContact O-N 2.68Å; N271-T275 PolarHBondContact O-OG1 3.16Å
272A97.5Very high95.8Very high0 Ų052 Ų520%027%0.266CS..Hα-helixtrans-64.9-48.3175.200000111.8P268 Y269 F270 K274 T275 W276 V296 L297 I340P268-A272 PolarHBondContact O-N 3.48Å; Y269-A272 WeakPolarHBondContact O-CA 3.47Å; Y269-A272 WeakPolarHBondContact O-CB 3.33Å; Y269-A272 PolarHBondContact O-N 3.42Å; F270-A272 VanDerWaalsContact C-N 3.31Å; F270-A272 PolarHBondContact O-N 3.04Å; A272-K274 PolarHBondContact O-N 3.12Å; A272-T275 PolarHBondContact O-N 2.89Å; A272-W276 WeakPolarHBondContact O-CB 3.35Å; A272-W276 PolarHBondContact O-N 3.37Å; A272-V296 HydrophobicContact CB-CG2 4.11Å; A272-L297 HydrophobicContact CB-CB 3.93Å; A272-L297 HydrophobicContact CB-CD1 4.4Å; A272-L297 HydrophobicContact CB-CD2 4.04Å; A272-L297 HydrophobicContact CB-CG 4.35Å; A272-I340 HydrophobicContact CB-CD1 4.39Å
273V96.4Very high95.8Very high14 Ų1453.9 Ų53.99%0.08528%0.276CS..Hα-helixtrans-60.9-45.2175.7173.70000111.2Y269 F270 T275 W276 L277 F338Y269-V273 HydrophobicContact CD1-CG2 4.28Å; Y269-V273 HydrophobicContact CE1-CG2 3.73Å; Y269-V273 HydrophobicContact CE2-CG2 4.07Å; Y269-V273 PolarHBondContact O-N 3.11Å; F270-V273 PolarHBondContact O-N 3.42Å; V273-T275 VanDerWaalsContact C-N 3.34Å; V273-T275 PolarHBondContact O-N 3.1Å; V273-W276 WeakPolarHBondContact O-CB 3.46Å; V273-W276 PolarHBondContact O-N 2.97Å; V273-L277 HydrophobicContact CG1-CD1 3.98Å; V273-L277 WeakPolarHBondContact O-CG 3.35Å; V273-L277 PolarHBondContact O-N 2.91Å; V273-F338 HydrophobicContact CG1-CD2 3.79Å; V273-F338 HydrophobicContact CG1-CE2 3.66Å; V273-F338 HydrophobicContact CG2-CD2 4.38Å
274K95.3Very high95.8Very high87 Ų8750.6 Ų50.638%0.37826%0.258SS..Hα-helixtrans-56.1-49.6174-178.3-155.4177.4-111.30110.9F270 A272 W276 L277 E278F270-K274 WeakPolarHBondContact O-CB 3.23Å; F270-K274 PolarHBondContact O-N 3.39Å; A272-K274 PolarHBondContact O-N 3.12Å; K274-W276 VanDerWaalsContact C-N 3.32Å; K274-W276 PolarHBondContact O-N 2.9Å; K274-L277 PolarHBondContact O-N 3.18Å; K274-E278 VanDerWaalsContact CE-CD 3.47Å; K274-E278 WeakPolarHBondContact CE-OE1 3.1Å; K274-E278 WeakPolarHBondContact CE-OE2 3.44Å; K274-E278 HydrophobicContact CG-CG 4.41Å; K274-E278 IonicContact NZ-OE1 3.25Å; K274-E278 PolarHBondContact NZ-OE1 3.44Å; K274-E278 IonicContact NZ-OE2 3.04Å; K274-E278 PolarHBondContact NZ-OE2 2.87Å; K274-E278 WeakPolarHBondContact O-CB 3.37Å; K274-E278 WeakPolarHBondContact O-CG 3.21Å; K274-E278 PolarHBondContact O-N 3.21Å
275T96.9Very high95.9Very high12 Ų1250.1 Ų50.17%0.07426%0.259CS..Hα-helixtrans-61.9-41.5-179.9-60.60000111.1N271 A272 V273 L277 E278 T279 K292 V296N271-T275 VanDerWaalsContact O-CB 3.28Å; N271-T275 WeakPolarHBondContact O-CB 3.26Å; N271-T275 PolarHBondContact O-N 2.68Å; N271-T275 PolarHBondContact O-OG1 3.16Å; A272-T275 PolarHBondContact O-N 2.89Å; V273-T275 VanDerWaalsContact C-N 3.34Å; V273-T275 PolarHBondContact O-N 3.1Å; T275-L277 PolarHBondContact O-N 3.18Å; T275-E278 PolarHBondContact O-N 3.12Å; T275-T279 WeakPolarHBondContact O-CB 3.44Å; T275-T279 PolarHBondContact O-N 3.47Å; T275-T279 PolarHBondContact O-OG1 3.06Å; T275-K292 HydrophobicContact CG2-CD 4.33Å; T275-K292 HydrophobicContact CG2-CG 3.45Å; T275-K292 VanDerWaalsContact CG2-CG 3.45Å; T275-V296 HydrophobicContact CG2-CG1 4.01Å; T275-V296 HydrophobicContact CG2-CG2 4.17Å
276W97.2Very high96Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-56-51.4174.5-166.4100.8000111.2A272 V273 K274 E278 T279 I280 L289 I293 P308 L336 F338 I340 V356A272-W276 WeakPolarHBondContact O-CB 3.35Å; A272-W276 PolarHBondContact O-N 3.37Å; V273-W276 WeakPolarHBondContact O-CB 3.46Å; V273-W276 PolarHBondContact O-N 2.97Å; K274-W276 VanDerWaalsContact C-N 3.32Å; K274-W276 PolarHBondContact O-N 2.9Å; W276-E278 PolarHBondContact O-N 2.97Å; W276-T279 PolarHBondContact O-N 2.81Å; W276-I280 HydrophobicContact CE3-CB 4.36Å; W276-I280 HydrophobicContact CE3-CD1 4.44Å; W276-I280 HydrophobicContact CE3-CG2 4.1Å; W276-I280 HydrophobicContact CH2-CD1 3.28Å; W276-I280 HydrophobicContact CH2-CG1 4.5Å; W276-I280 HydrophobicContact CZ2-CD1 3.7Å; W276-I280 HydrophobicContact CZ3-CB 4.29Å; W276-I280 HydrophobicContact CZ3-CD1 3.69Å; W276-I280 HydrophobicContact CZ3-CG2 3.89Å; W276-I280 WeakPolarHBondContact O-CB 3.26Å; W276-I280 PolarHBondContact O-N 3.32Å; W276-L289 HydrophobicContact CG-CD1 4.13Å; W276-L289 HydrophobicContact CZ2-CD2 4.21Å; W276-I293 HydrophobicContact CB-CD1 3.93Å; W276-I293 HydrophobicContact CG-CD1 4.4Å; W276-P308 PolarHBondContact NE1-O 3.25Å; W276-L336 HydrophobicContact CH2-CB 4.02Å; W276-L336 HydrophobicContact CZ2-CB 4.34Å; W276-F338 HydrophobicContact CD2-CB 3.59Å; W276-F338 HydrophobicContact CE3-CB 3.64Å; W276-F338 HydrophobicContact CE3-CD1 4.45Å; W276-F338 HydrophobicContact CE3-CG 4.34Å; W276-F338 HydrophobicContact CG-CB 4.2Å; W276-F338 HydrophobicContact CH2-CB 3.85Å; W276-F338 HydrophobicContact CZ2-CB 3.81Å; W276-F338 HydrophobicContact CZ3-CB 3.78Å; W276-F338 HydrophobicContact CZ3-CD1 4.15Å; W276-F338 HydrophobicContact CZ3-CG 4.39Å; W276-I340 HydrophobicContact CB-CD1 4.37Å; W276-I340 HydrophobicContact CG-CD1 4.5Å; W276-V356 HydrophobicContact CZ3-CB 4.36Å; W276-V356 HydrophobicContact CZ3-CG2 4.16Å
277L94.8Very high96.1Very high79 Ų7949.3 Ų49.341%0.41425%0.253SS..Hα-helixtrans-66.7-34.7-178.8-68.7168.5000113V273 K274 T275 T279 F338 V356V273-L277 HydrophobicContact CG1-CD1 3.98Å; V273-L277 WeakPolarHBondContact O-CG 3.35Å; V273-L277 PolarHBondContact O-N 2.91Å; K274-L277 PolarHBondContact O-N 3.18Å; T275-L277 PolarHBondContact O-N 3.18Å; L277-T279 VanDerWaalsContact C-N 3.35Å; L277-F338 HydrophobicContact CD2-CD1 4.21Å; L277-F338 HydrophobicContact CD2-CE1 4.32Å; L277-V356 HydrophobicContact CD2-CG2 3.78Å
278E94.3Very high96.2Very high116 Ų11647 Ų4754%0.54225%0.249SC..Hα-helixtrans-76.5-21.7176.1-72.3-18015200113K274 T275 W276K274-E278 VanDerWaalsContact CE-CD 3.47Å; K274-E278 WeakPolarHBondContact CE-OE1 3.1Å; K274-E278 WeakPolarHBondContact CE-OE2 3.44Å; K274-E278 HydrophobicContact CG-CG 4.41Å; K274-E278 IonicContact NZ-OE1 3.25Å; K274-E278 PolarHBondContact NZ-OE1 3.44Å; K274-E278 IonicContact NZ-OE2 3.04Å; K274-E278 PolarHBondContact NZ-OE2 2.87Å; K274-E278 WeakPolarHBondContact O-CB 3.37Å; K274-E278 WeakPolarHBondContact O-CG 3.21Å; K274-E278 PolarHBondContact O-N 3.21Å; T275-E278 PolarHBondContact O-N 3.12Å; W276-E278 PolarHBondContact O-N 2.97Å
279T95.3Very high96.2Very high34 Ų3446 Ų4621%0.20924%0.242CC..Hα-helixtrans-94.2-36.4-176.2-57.50000112.5T275 W276 L277 A281 L284 L289 K292T275-T279 WeakPolarHBondContact O-CB 3.44Å; T275-T279 PolarHBondContact O-N 3.47Å; T275-T279 PolarHBondContact O-OG1 3.06Å; W276-T279 PolarHBondContact O-N 2.81Å; L277-T279 VanDerWaalsContact C-N 3.35Å; T279-A281 PolarHBondContact O-N 2.99Å; T279-L284 HydrophobicContact CG2-CD2 4.19Å; T279-L289 HydrophobicContact CG2-CD1 4Å; T279-K292 HydrophobicContact CG2-CB 4.41Å; T279-K292 HydrophobicContact CG2-CG 4.33Å
280I94.9Very high96.2Very high22 Ų2246.7 Ų46.711%0.11325%0.245CC..  trans-63.3129.4-172.4-163.4174.6000112W276 L289 L330 L336 L358W276-I280 HydrophobicContact CE3-CB 4.36Å; W276-I280 HydrophobicContact CE3-CD1 4.44Å; W276-I280 HydrophobicContact CE3-CG2 4.1Å; W276-I280 HydrophobicContact CH2-CD1 3.28Å; W276-I280 HydrophobicContact CH2-CG1 4.5Å; W276-I280 HydrophobicContact CZ2-CD1 3.7Å; W276-I280 HydrophobicContact CZ3-CB 4.29Å; W276-I280 HydrophobicContact CZ3-CD1 3.69Å; W276-I280 HydrophobicContact CZ3-CG2 3.89Å; W276-I280 WeakPolarHBondContact O-CB 3.26Å; W276-I280 PolarHBondContact O-N 3.32Å; I280-L289 HydrophobicContact CB-CD2 4.45Å; I280-L289 HydrophobicContact CD1-CD2 4.28Å; I280-L289 HydrophobicContact CG1-CD2 4.2Å; I280-L330 HydrophobicContact CD1-CD1 4.07Å; I280-L330 HydrophobicContact CG1-CD1 3.65Å; I280-L336 HydrophobicContact CD1-CD1 4.03Å; I280-L336 HydrophobicContact CD1-CD2 4.07Å; I280-L336 HydrophobicContact CD1-CG 4.43Å; I280-L358 HydrophobicContact CD1-CD1 4.21Å; I280-L358 HydrophobicContact CD1-CD2 4.23Å; I280-L358 HydrophobicContact CD1-CG 4.38Å; I280-L358 HydrophobicContact CG1-CD1 4.17Å; I280-L358 HydrophobicContact CG1-CD2 4.06Å; I280-L358 HydrophobicContact CG2-CD2 4.49Å
281A93.7Very high96.3Very high45 Ų4544.3 Ų44.337%0.37224%0.238SC..  trans-153.2161.5-179.600000110.7T279 L284T279-A281 PolarHBondContact O-N 2.99Å; A281-L284 WeakPolarHBondContact O-CB 3.45Å
282T92.8Very high96.3Very high53 Ų5344.3 Ų44.333%0.32524%0.235SC..THydrogen-bonded Turntrans-62.3151.1167.3530000110.4L284 L330 L358T282-L284 PolarHBondContact O-N 3.38Å; T282-L284 VanDerWaalsContact O-N 3.13Å; T282-L330 CarbonylContact C-O 3.52Å; T282-L358 HydrophobicContact CG2-CB 4.37Å
283D94.1Very high96.3Very high114 Ų11444.3 Ų44.361%0.6124%0.235SC*.THydrogen-bonded Turntrans64.61.9-177.1-63.5-57.4000116.5L330D283-L330 PolarHBondContact N-O 3.06Å
284L95.7Very high96.4Very high32 Ų3246.3 Ų46.317%0.16824%0.244CC..  trans-70132.8173.6-169.371.1000110.4T279 A281 T282 V288 L289 K329 L330T279-L284 HydrophobicContact CG2-CD2 4.19Å; A281-L284 WeakPolarHBondContact O-CB 3.45Å; T282-L284 PolarHBondContact O-N 3.38Å; T282-L284 VanDerWaalsContact O-N 3.13Å; L284-V288 HydrophobicContact CD1-CB 3.83Å; L284-V288 HydrophobicContact CD1-CG1 3.68Å; L284-V288 HydrophobicContact CD1-CG2 4.39Å; L284-V288 HydrophobicContact CG-CB 4.17Å; L284-V288 HydrophobicContact CG-CG1 4.43Å; L284-L289 HydrophobicContact CD2-CB 4.11Å; L284-K329 WeakPolarHBondContact O-CA 3.36Å; L284-L330 HydrophobicContact CB-CD1 4.3Å; L284-L330 HydrophobicContact CB-CG 4.49Å; L284-L330 HydrophobicContact CD2-CD1 4.31Å; L284-L330 WeakPolarHBondContact O-CG 3.4Å; L284-L330 PolarHBondContact O-N 2.95Å
285E97.9Very high96.6Very high65 Ų6548.1 Ų48.130%0.30425%0.253SS..BIsolated β-bridgetrans-70.2137.3168.8-72.7-175.6-16800110.1A287 V288 K327 E328E285-A287 PolarHBondContact O-N 3.17Å; E285-A287 VanDerWaalsContact O-N 3.14Å; E285-V288 HydrophobicContact CB-CG2 4.17Å; E285-V288 WeakPolarHBondContact O-CB 3.16Å; E285-V288 PolarHBondContact O-N 3.11Å; E285-K327 WeakPolarHBondContact OE2-CD 3.39Å; E285-K327 IonicContact OE2-NZ 3.66Å; E285-K327 PolarHBondContact OE2-NZ 3.05Å; E285-E328 CarbonylContact C-O 3.55Å; E285-E328 WeakPolarHBondContact CA-O 3.12Å
286G97.7Very high96.6Very high0 Ų049.1 Ų49.10%026%0.259CS..Hα-helixtrans-57-30.2179.500000114.5V288 L289 Y290 P321 E328G286-V288 VanDerWaalsContact C-N 3.28Å; G286-V288 PolarHBondContact O-N 3.49Å; G286-L289 PolarHBondContact O-N 3.49Å; G286-Y290 PolarHBondContact O-N 2.98Å; G286-P321 WeakPolarHBondContact CA-O 3.07Å; G286-E328 PolarHBondContact N-O 3.48Å
287A98.1Very high96.6Very high7 Ų749.1 Ų49.16%0.05826%0.26CS..Hα-helixtrans-60.1-37.5173.800000112.5E285 L289 Y290 D291 S326E285-A287 PolarHBondContact O-N 3.17Å; E285-A287 VanDerWaalsContact O-N 3.14Å; A287-L289 VanDerWaalsContact C-N 3.31Å; A287-L289 PolarHBondContact O-N 3.2Å; A287-Y290 PolarHBondContact O-N 2.66Å; A287-D291 WeakPolarHBondContact O-CB 3.41Å; A287-D291 PolarHBondContact O-N 3.47Å; A287-S326 WeakPolarHBondContact CB-O 3.49Å; A287-S326 PolarHBondContact N-O 3.06Å
288V98.1Very high96.8Very high69 Ų6947.2 Ų47.242%0.41825%0.252SS..Hα-helixtrans-65-40.8-178-179.90000110.3L284 E285 G286 K292L284-V288 HydrophobicContact CD1-CB 3.83Å; L284-V288 HydrophobicContact CD1-CG1 3.68Å; L284-V288 HydrophobicContact CD1-CG2 4.39Å; L284-V288 HydrophobicContact CG-CB 4.17Å; L284-V288 HydrophobicContact CG-CG1 4.43Å; E285-V288 HydrophobicContact CB-CG2 4.17Å; E285-V288 WeakPolarHBondContact O-CB 3.16Å; E285-V288 PolarHBondContact O-N 3.11Å; G286-V288 VanDerWaalsContact C-N 3.28Å; G286-V288 PolarHBondContact O-N 3.49Å; V288-K292 WeakPolarHBondContact O-CB 3.41Å; V288-K292 PolarHBondContact O-N 2.9Å; V288-K292 VanDerWaalsContact O-N 3.1Å
289L97.2Very high96.9Very high0 Ų045.4 Ų45.40%024%0.242CC..Hα-helixtrans-68.6-42.6176-172.257000111.4W276 T279 I280 L284 G286 A287 K292 I293 V322 L330W276-L289 HydrophobicContact CG-CD1 4.13Å; W276-L289 HydrophobicContact CZ2-CD2 4.21Å; T279-L289 HydrophobicContact CG2-CD1 4Å; I280-L289 HydrophobicContact CB-CD2 4.45Å; I280-L289 HydrophobicContact CD1-CD2 4.28Å; I280-L289 HydrophobicContact CG1-CD2 4.2Å; L284-L289 HydrophobicContact CD2-CB 4.11Å; G286-L289 PolarHBondContact O-N 3.49Å; A287-L289 VanDerWaalsContact C-N 3.31Å; A287-L289 PolarHBondContact O-N 3.2Å; L289-K292 PolarHBondContact O-N 2.78Å; L289-I293 WeakPolarHBondContact O-CG1 3.44Å; L289-I293 PolarHBondContact O-N 3.29Å; L289-V322 HydrophobicContact CB-CG1 4.25Å; L289-V322 HydrophobicContact CD2-CG1 4.42Å; L289-V322 HydrophobicContact CD2-CG2 4Å; L289-V322 HydrophobicContact CG-CG1 4.3Å; L289-L330 HydrophobicContact CD2-CD1 4.26Å
290Y98.3Very high96.9Very high21 Ų2148.9 Ų48.98%0.08227%0.274CS..Hα-helixtrans-56.8-52.3174.7-178.1-79.2000111.7G286 A287 K292 I293 E294 W304 P308 P324G286-Y290 PolarHBondContact O-N 2.98Å; A287-Y290 PolarHBondContact O-N 2.66Å; Y290-K292 VanDerWaalsContact C-N 3.27Å; Y290-K292 PolarHBondContact O-N 2.76Å; Y290-I293 PolarHBondContact O-N 3.15Å; Y290-I293 VanDerWaalsContact O-N 3.09Å; Y290-E294 PolarHBondContact O-N 2.83Å; Y290-W304 HydrophobicContact CD2-CH2 4.43Å; Y290-W304 HydrophobicContact CE1-CH2 4.06Å; Y290-W304 AromaticContact CE2-CH2 3.67Å; Y290-W304 HydrophobicContact CE2-CH2 3.67Å; Y290-W304 AromaticContact CE2-CZ3 3.7Å; Y290-W304 HydrophobicContact CE2-CZ3 3.7Å; Y290-W304 AromaticContact CZ-CH2 3.42Å; Y290-W304 VanDerWaalsContact CZ-CH2 3.42Å; Y290-W304 AromaticContact CZ-CZ3 3.81Å; Y290-W304 VanDerWaalsContact OH-CH2 3.3Å; Y290-W304 WeakPolarHBondContact OH-CH2 2.65Å; Y290-P308 HydrophobicContact CD2-CG 3.95Å; Y290-P324 HydrophobicContact CD2-CG 4.32Å; Y290-P324 HydrophobicContact CE1-CB 4.39Å; Y290-P324 HydrophobicContact CE1-CG 3.98Å; Y290-P324 HydrophobicContact CE2-CG 3.7Å
291D98.4Very high97Very high94 Ų9452.4 Ų52.450%0.50329%0.29SS..Hα-helixtrans-63.6-34.5-177.1-69.7-17.9000111.5A287 I293 E294 E295A287-D291 WeakPolarHBondContact O-CB 3.41Å; A287-D291 PolarHBondContact O-N 3.47Å; D291-I293 VanDerWaalsContact C-N 3.33Å; D291-I293 PolarHBondContact O-N 3.28Å; D291-E294 PolarHBondContact O-N 3.22Å; D291-E295 WeakPolarHBondContact O-CB 3.39Å; D291-E295 PolarHBondContact O-N 3.24Å
292K98.2Very high97.2Very high66 Ų6651.2 Ų51.229%0.28728%0.277SS..Hα-helixtrans-65.4-36.2175.6-161.473.9-162.7158.80112.3T275 T279 V288 L289 Y290 E295 V296T275-K292 HydrophobicContact CG2-CD 4.33Å; T275-K292 HydrophobicContact CG2-CG 3.45Å; T275-K292 VanDerWaalsContact CG2-CG 3.45Å; T279-K292 HydrophobicContact CG2-CB 4.41Å; T279-K292 HydrophobicContact CG2-CG 4.33Å; V288-K292 WeakPolarHBondContact O-CB 3.41Å; V288-K292 PolarHBondContact O-N 2.9Å; V288-K292 VanDerWaalsContact O-N 3.1Å; L289-K292 PolarHBondContact O-N 2.78Å; Y290-K292 VanDerWaalsContact C-N 3.27Å; Y290-K292 PolarHBondContact O-N 2.76Å; K292-E295 IonicContact NZ-OE1 2.79Å; K292-E295 PolarHBondContact NZ-OE1 3.11Å; K292-E295 IonicContact NZ-OE2 2.75Å; K292-E295 PolarHBondContact NZ-OE2 2.74Å; K292-E295 PolarHBondContact O-N 2.99Å; K292-V296 WeakPolarHBondContact O-CG2 3.46Å; K292-V296 PolarHBondContact O-N 3.47Å
293I98Very high97.3Very high0 Ų049.9 Ų49.90%027%0.273CS..Hα-helixtrans-72.1-40.7174.3-60.3-52.8000111.3W276 L289 Y290 D291 E295 V296 L297 W304 P308 I340W276-I293 HydrophobicContact CB-CD1 3.93Å; W276-I293 HydrophobicContact CG-CD1 4.4Å; L289-I293 WeakPolarHBondContact O-CG1 3.44Å; L289-I293 PolarHBondContact O-N 3.29Å; Y290-I293 PolarHBondContact O-N 3.15Å; Y290-I293 VanDerWaalsContact O-N 3.09Å; D291-I293 VanDerWaalsContact C-N 3.33Å; D291-I293 PolarHBondContact O-N 3.28Å; I293-E295 VanDerWaalsContact C-N 3.25Å; I293-E295 PolarHBondContact O-N 3.29Å; I293-V296 PolarHBondContact O-N 3.45Å; I293-L297 HydrophobicContact CG2-CB 4.48Å; I293-L297 CarbonylContact O-C 3.59Å; I293-L297 WeakPolarHBondContact O-CA 3.28Å; I293-L297 WeakPolarHBondContact O-CB 3.23Å; I293-L297 PolarHBondContact O-N 3.47Å; I293-W304 HydrophobicContact CG2-CZ2 4.42Å; I293-P308 HydrophobicContact CB-CB 4.17Å; I293-P308 HydrophobicContact CB-CG 4.24Å; I293-P308 HydrophobicContact CG1-CB 4.06Å; I293-P308 HydrophobicContact CG1-CG 4.31Å; I293-P308 HydrophobicContact CG2-CB 3.95Å; I293-P308 HydrophobicContact CG2-CG 4.41Å; I293-I340 HydrophobicContact CD1-CD1 3.86Å; I293-I340 HydrophobicContact CG1-CD1 4.26Å; I293-I340 HydrophobicContact CG2-CD1 4.28Å; I293-I340 HydrophobicContact CG2-CG2 4.46Å
294E98.1Very high97.4Very high56 Ų5644.6 Ų44.626%0.26225%0.245SC..Hα-helixtrans-59.7-35.4172.2-173.168.7-134.700112Y290 D291 P298 K299 W304Y290-E294 PolarHBondContact O-N 2.83Å; D291-E294 PolarHBondContact O-N 3.22Å; E294-P298 WeakPolarHBondContact O-CA 3.43Å; E294-P298 WeakPolarHBondContact O-CG 3.25Å; E294-K299 WeakPolarHBondContact OE1-CB 3.38Å; E294-K299 PolarHBondContact OE1-N 3.18Å; E294-K299 VanDerWaalsContact OE2-CB 3.24Å; E294-K299 WeakPolarHBondContact OE2-CB 3.48Å; E294-W304 HydrophobicContact CB-CZ2 4.28Å; E294-W304 WeakPolarHBondContact OE2-CZ2 3.25Å
295E98.1Very high97.2Very high125 Ų12549 Ų4958%0.58426%0.264SS*.Hα-helixtrans-65.1-50.2175.9-176.5-166.614200112.5D291 K292 I293D291-E295 WeakPolarHBondContact O-CB 3.39Å; D291-E295 PolarHBondContact O-N 3.24Å; K292-E295 IonicContact NZ-OE1 2.79Å; K292-E295 PolarHBondContact NZ-OE1 3.11Å; K292-E295 IonicContact NZ-OE2 2.75Å; K292-E295 PolarHBondContact NZ-OE2 2.74Å; K292-E295 PolarHBondContact O-N 2.99Å; I293-E295 VanDerWaalsContact C-N 3.25Å; I293-E295 PolarHBondContact O-N 3.29Å
296V98Very high97Very high33 Ų3350.2 Ų50.220%0.227%0.272CS..Hα-helixtrans-89.6-19.8-172.7-56.70000113.9A272 T275 K292 I293A272-V296 HydrophobicContact CB-CG2 4.11Å; T275-V296 HydrophobicContact CG2-CG1 4.01Å; T275-V296 HydrophobicContact CG2-CG2 4.17Å; K292-V296 WeakPolarHBondContact O-CG2 3.46Å; K292-V296 PolarHBondContact O-N 3.47Å; I293-V296 PolarHBondContact O-N 3.45Å
297L97.3Very high96.9Very high1 Ų152.3 Ų52.31%0.00528%0.283CS..SBendtrans-138.470.1178.3-16679.2000109.7P268 A272 I293 K299 Y302 W304 I340P268-L297 HydrophobicContact CB-CD1 4.13Å; A272-L297 HydrophobicContact CB-CB 3.93Å; A272-L297 HydrophobicContact CB-CD1 4.4Å; A272-L297 HydrophobicContact CB-CD2 4.04Å; A272-L297 HydrophobicContact CB-CG 4.35Å; I293-L297 HydrophobicContact CG2-CB 4.48Å; I293-L297 CarbonylContact O-C 3.59Å; I293-L297 WeakPolarHBondContact O-CA 3.28Å; I293-L297 WeakPolarHBondContact O-CB 3.23Å; I293-L297 PolarHBondContact O-N 3.47Å; L297-K299 PolarHBondContact O-N 3.2Å; L297-Y302 HydrophobicContact CB-CD2 4.45Å; L297-Y302 HydrophobicContact CD1-CD1 3.73Å; L297-Y302 HydrophobicContact CD1-CD2 3.59Å; L297-Y302 HydrophobicContact CD1-CE1 3.93Å; L297-Y302 HydrophobicContact CD1-CE2 3.8Å; L297-Y302 HydrophobicContact CD1-CG 3.55Å; L297-Y302 HydrophobicContact CG-CD1 4.45Å; L297-Y302 HydrophobicContact CG-CD2 3.76Å; L297-Y302 HydrophobicContact CG-CE2 4.36Å; L297-Y302 HydrophobicContact CG-CG 3.81Å; L297-W304 PolarHBondContact O-NE1 2.93Å; L297-I340 HydrophobicContact CD2-CG2 3.63Å
298P97.8Very high96.8Very high38 Ų3852 Ų5225%0.24728%0.281CS..  trans-55.8131.6-173-26.834.4000114.3E294 A300 Q301 Y302E294-P298 WeakPolarHBondContact O-CA 3.43Å; E294-P298 WeakPolarHBondContact O-CG 3.25Å; P298-A300 VanDerWaalsContact C-N 3.26Å; P298-A300 PolarHBondContact O-N 3.41Å; P298-Q301 HydrophobicContact CB-CB 4.37Å; P298-Q301 PolarHBondContact O-N 2.94Å; P298-Y302 WeakPolarHBondContact O-CD2 3.4Å; P298-Y302 PolarHBondContact O-N 3.07Å
299K96.5Very high96.7Very high78 Ų7848.8 Ų48.834%0.33926%0.261SS..Hα-helixtrans-60-37.5-178.3179.1159.4177.6163.50112.3E294 L297 Q301 G303 W304E294-K299 WeakPolarHBondContact OE1-CB 3.38Å; E294-K299 PolarHBondContact OE1-N 3.18Å; E294-K299 VanDerWaalsContact OE2-CB 3.24Å; E294-K299 WeakPolarHBondContact OE2-CB 3.48Å; L297-K299 PolarHBondContact O-N 3.2Å; K299-Q301 PolarHBondContact O-N 2.91Å; K299-G303 VanDerWaalsContact O-CA 3.28Å; K299-G303 WeakPolarHBondContact O-CA 3.29Å; K299-G303 PolarHBondContact O-N 3.46Å; K299-W304 HydrophobicContact CB-CD2 4.23Å; K299-W304 HydrophobicContact CB-CZ2 3.89Å; K299-W304 HydrophobicContact CD-CD2 4.28Å; K299-W304 HydrophobicContact CD-CE3 4.2Å; K299-W304 HydrophobicContact CD-CH2 4.42Å; K299-W304 HydrophobicContact CD-CZ2 4.48Å; K299-W304 HydrophobicContact CD-CZ3 4.27Å; K299-W304 WeakPolarHBondContact CD-O 3.44Å; K299-W304 WeakPolarHBondContact CE-O 3.07Å; K299-W304 HydrophobicContact CG-CD2 4.36Å; K299-W304 VanDerWaalsContact CG-O 3.25Å; K299-W304 WeakPolarHBondContact CG-O 3.14Å
300A96.9Very high96.7Very high107 Ų10748.8 Ų48.888%0.88426%0.261SS*.Hα-helixtrans-61.1-27.517600000113.3P298P298-A300 VanDerWaalsContact C-N 3.26Å; P298-A300 PolarHBondContact O-N 3.41Å
301Q96.5Very high96.6Very high97 Ų9748 Ų4845%0.45326%0.258SS..Hα-helixtrans-97.1-36.5-178.1-177.8178.6-1.300113P298 K299P298-Q301 HydrophobicContact CB-CB 4.37Å; P298-Q301 PolarHBondContact O-N 2.94Å; K299-Q301 PolarHBondContact O-N 2.91Å
302Y96.9Very high96.5Very high20 Ų2043.6 Ų43.68%0.07824%0.235CC..Hα-helixtrans-109.5-6.8-172.2-66.4-81.4000114.2R264 P268 L297 P298 W304 S343 V344R264-Y302 WeakPolarHBondContact O-CE1 3.46Å; P268-Y302 HydrophobicContact CB-CE1 3.9Å; P268-Y302 WeakPolarHBondContact CB-OH 3.4Å; P268-Y302 HydrophobicContact CG-CE1 4.26Å; P268-Y302 WeakPolarHBondContact CG-OH 3.38Å; L297-Y302 HydrophobicContact CB-CD2 4.45Å; L297-Y302 HydrophobicContact CD1-CD1 3.73Å; L297-Y302 HydrophobicContact CD1-CD2 3.59Å; L297-Y302 HydrophobicContact CD1-CE1 3.93Å; L297-Y302 HydrophobicContact CD1-CE2 3.8Å; L297-Y302 HydrophobicContact CD1-CG 3.55Å; L297-Y302 HydrophobicContact CG-CD1 4.45Å; L297-Y302 HydrophobicContact CG-CD2 3.76Å; L297-Y302 HydrophobicContact CG-CE2 4.36Å; L297-Y302 HydrophobicContact CG-CG 3.81Å; P298-Y302 WeakPolarHBondContact O-CD2 3.4Å; P298-Y302 PolarHBondContact O-N 3.07Å; Y302-W304 VanDerWaalsContact C-N 3.27Å; Y302-W304 PolarHBondContact O-N 3.34Å; Y302-S343 CarbonylContact O-C 3.55Å; Y302-S343 PolarHBondContact O-N 2.84Å; Y302-V344 HydrophobicContact CD1-CG2 4.11Å
303G95.7Very high96.3Very high24 Ų2440.5 Ų40.525%0.24722%0.222CC..  trans67.416.316700000115.7K299 H305K299-G303 VanDerWaalsContact O-CA 3.28Å; K299-G303 WeakPolarHBondContact O-CA 3.29Å; K299-G303 PolarHBondContact O-N 3.46Å; G303-H305 PolarHBondContact O-CE1 2.7Å; G303-H305 PolarHBondContact O-ND1 2.91Å
304W95.1Very high96.1Very high4 Ų441.3 Ų41.32%0.01523%0.226CC..  trans-67.6144.4176.956.1-92.5000111.3Y290 I293 E294 L297 K299 Y302 L306 I341Y290-W304 HydrophobicContact CD2-CH2 4.43Å; Y290-W304 HydrophobicContact CE1-CH2 4.06Å; Y290-W304 AromaticContact CE2-CH2 3.67Å; Y290-W304 HydrophobicContact CE2-CH2 3.67Å; Y290-W304 AromaticContact CE2-CZ3 3.7Å; Y290-W304 HydrophobicContact CE2-CZ3 3.7Å; Y290-W304 AromaticContact CZ-CH2 3.42Å; Y290-W304 VanDerWaalsContact CZ-CH2 3.42Å; Y290-W304 AromaticContact CZ-CZ3 3.81Å; Y290-W304 VanDerWaalsContact OH-CH2 3.3Å; Y290-W304 WeakPolarHBondContact OH-CH2 2.65Å; I293-W304 HydrophobicContact CG2-CZ2 4.42Å; E294-W304 HydrophobicContact CB-CZ2 4.28Å; E294-W304 WeakPolarHBondContact OE2-CZ2 3.25Å; L297-W304 PolarHBondContact O-NE1 2.93Å; K299-W304 HydrophobicContact CB-CD2 4.23Å; K299-W304 HydrophobicContact CB-CZ2 3.89Å; K299-W304 HydrophobicContact CD-CD2 4.28Å; K299-W304 HydrophobicContact CD-CE3 4.2Å; K299-W304 HydrophobicContact CD-CH2 4.42Å; K299-W304 HydrophobicContact CD-CZ2 4.48Å; K299-W304 HydrophobicContact CD-CZ3 4.27Å; K299-W304 WeakPolarHBondContact CD-O 3.44Å; K299-W304 WeakPolarHBondContact CE-O 3.07Å; K299-W304 HydrophobicContact CG-CD2 4.36Å; K299-W304 VanDerWaalsContact CG-O 3.25Å; K299-W304 WeakPolarHBondContact CG-O 3.14Å; Y302-W304 VanDerWaalsContact C-N 3.27Å; Y302-W304 PolarHBondContact O-N 3.34Å; W304-L306 VanDerWaalsContact CE3-O 3.3Å; W304-I341 WeakPolarHBondContact CA-O 3.2Å; W304-I341 WeakPolarHBondContact CB-O 3.33Å
305H92.7Very high95.8Very high125 Ų12539.8 Ų39.858%0.57922%0.219SC*.  trans-117-33.7-173.6-15.5-70.3000113.5G303G303-H305 PolarHBondContact O-CE1 2.7Å; G303-H305 PolarHBondContact O-ND1 2.91Å
306L93.9Very high95.5Very high90 Ų9035.5 Ų35.547%0.47120%0.199SC..SBendtrans-81.2163.6-175.1-55.8179.4000111.2W304 I341W304-L306 VanDerWaalsContact CE3-O 3.3Å; L306-I341 HydrophobicContact CD1-CD1 4.08Å
307N96.2Very high95.3Very high44 Ų4437.6 Ų37.624%0.23520%0.203CC..  trans-64135.1173.4-76.2-8.7000110.2G309 W317 S320 V322N307-G309 PolarHBondContact O-N 3.31Å; N307-W317 HydrophobicContact CB-CH2 4.43Å; N307-S320 PolarHBondContact ND2-OG 3.43Å; N307-V322 WeakPolarHBondContact CB-O 3.01Å; N307-V322 PolarHBondContact ND2-O 3.06Å
308P95.6Very high95.2Very high1 Ų137.9 Ų37.91%0.00620%0.204CC..SBendtrans-78.258.3-17733.4-35.2000111.9W276 Y290 I293 V322 D339 I340W276-P308 PolarHBondContact NE1-O 3.25Å; Y290-P308 HydrophobicContact CD2-CG 3.95Å; I293-P308 HydrophobicContact CB-CB 4.17Å; I293-P308 HydrophobicContact CB-CG 4.24Å; I293-P308 HydrophobicContact CG1-CB 4.06Å; I293-P308 HydrophobicContact CG1-CG 4.31Å; I293-P308 HydrophobicContact CG2-CB 3.95Å; I293-P308 HydrophobicContact CG2-CG 4.41Å; P308-V322 HydrophobicContact CG-CG1 3.88Å; P308-D339 CarbonylContact C-O 3.47Å; P308-D339 WeakPolarHBondContact CA-O 3.26Å; P308-I340 HydrophobicContact CB-CG1 3.95Å
309G95.4Very high95.1Very high0 Ų036.8 Ų36.80%020%0.199CC..  trans128.5150.8178.900000114.3N307 S320 Q337 D339N307-G309 PolarHBondContact O-N 3.31Å; G309-S320 PolarHBondContact O-OG 2.84Å; G309-Q337 WeakPolarHBondContact CA-O 3.41Å; G309-D339 PolarHBondContact N-O 3.03Å
310H96.7Very high95.1Very high0 Ų033.9 Ų33.90%019%0.188CC..EExtended strand (participates in β ladder)trans-153.2164.7-177.960.990.6000110.5E316 W317 L336 Q337 D339H310-E316 PolarHBondContact CE1-O 3.46Å; H310-E316 IonicContact CE1-OE1 3.59Å; H310-E316 PolarHBondContact ND1-O 3.46Å; H310-E316 IonicContact NE2-OE1 2.95Å; H310-W317 HydrophobicContact CB-CD2 3.93Å; H310-W317 HydrophobicContact CB-CE3 3.95Å; H310-W317 HydrophobicContact CB-CH2 3.86Å; H310-W317 HydrophobicContact CB-CZ2 3.85Å; H310-W317 HydrophobicContact CB-CZ3 3.92Å; H310-W317 AromaticContact CD2-CD2 4Å; H310-W317 AromaticContact CD2-CE3 3.18Å; H310-W317 AromaticContact CD2-CH2 3.86Å; H310-W317 AromaticContact CD2-CZ3 3.1Å; H310-W317 WeakPolarHBondContact CD2-CZ3 3.31Å; H310-W317 AromaticContact CE1-CE3 3.73Å; H310-W317 AromaticContact CG-CD2 3.66Å; H310-W317 AromaticContact CG-CE3 3.33Å; H310-W317 AromaticContact CG-CZ3 3.54Å; H310-W317 AromaticContact ND1-CD2 3.87Å; H310-W317 AromaticContact ND1-CE3 3.69Å; H310-W317 AromaticContact NE2-CE3 3.48Å; H310-W317 AromaticContact NE2-CZ3 3.76Å; H310-L336 CarbonylContact O-C 3.54Å; H310-L336 VanDerWaalsContact O-CA 3.24Å; H310-L336 WeakPolarHBondContact O-CA 3.45Å; H310-Q337 PolarHBondContact N-O 2.84Å; H310-Q337 PolarHBondContact NE2-NE2 2.91Å; H310-Q337 PolarHBondContact O-N 3.12Å; H310-D339 IonicContact NE2-OD2 3.04Å
311L97.1Very high95.1Very high5 Ų528.8 Ų28.83%0.02615%0.146CC..EExtended strand (participates in β ladder)trans-74.3147.1169.1-62.9164.4000110.1T152 L318 A319 P321 M334 I335 L336T152-L311 HydrophobicContact CG2-CD1 3.67Å; L311-L318 HydrophobicContact CB-CB 4.07Å; L311-L318 HydrophobicContact CB-CD2 4.21Å; L311-L318 PolarHBondContact O-N 2.83Å; L311-A319 VanDerWaalsContact CB-O 3.31Å; L311-A319 WeakPolarHBondContact CB-O 3.48Å; L311-A319 PolarHBondContact N-O 3.28Å; L311-P321 HydrophobicContact CG-CG 4.45Å; L311-M334 HydrophobicContact CD2-CB 3.68Å; L311-M334 HydrophobicContact CD2-CG 3.79Å; L311-M334 HydrophobicContact CD2-SD 4.05Å; L311-I335 WeakPolarHBondContact CA-O 3.34Å; L311-L336 HydrophobicContact CD2-CG 4.08Å
312C95.3Very high95.2Very high2 Ų224.2 Ų24.21%0.01413%0.125CC..  trans-128.215617162.60000110.1E316 I335C312-E316 WeakPolarHBondContact CB-O 3.24Å; C312-I335 PolarHBondContact N-O 3.1Å; C312-I335 WeakPolarHBondContact SG-CG2 3.37Å
313A94.8Very high95.1Very high1 Ų126.9 Ų26.91%0.00814%0.135CC..SBendtrans-154.9-127.8-178.300000109.7G238 E315 L318G238-A313 PolarHBondContact N-O 3.36Å; A313-E315 CarbonylContact C-O 3.5Å; A313-E315 PolarHBondContact N-O 3.03Å; A313-E315 PolarHBondContact O-N 3.34Å; A313-L318 HydrophobicContact CB-CD1 4.26Å; A313-L318 HydrophobicContact CB-CD2 4.19Å
314D93.5Very high95.2Very high17 Ų1729.2 Ų29.29%0.09115%0.146CC..SBendtrans-61.7-34.6168.9-69.2-50.1000111.3R151 K237R151-D314 IonicContact NH2-OD2 3.18Å; R151-D314 PolarHBondContact NH2-OD2 3.48Å; K237-D314 HydrophobicContact CD-CB 4.48Å; K237-D314 VanDerWaalsContact CD-OD1 3.29Å; K237-D314 WeakPolarHBondContact CD-OD1 3.36Å; K237-D314 WeakPolarHBondContact CE-OD1 3.16Å; K237-D314 HydrophobicContact CG-CB 4.46Å; K237-D314 IonicContact NZ-OD1 2.69Å; K237-D314 PolarHBondContact NZ-OD1 2.89Å
315E91.6Very high95.2Very high23 Ų2332.6 Ų32.611%0.10718%0.175CC..SBendtrans-92.5153.5173-46.790.2152.300110.7G19 R151 A313G19-E315 VanDerWaalsContact CA-OE1 3.24Å; G19-E315 WeakPolarHBondContact CA-OE1 3.25Å; R151-E315 IonicContact CZ-OE1 3.49Å; R151-E315 IonicContact CZ-OE2 2.91Å; R151-E315 IonicContact NH1-OE1 2.74Å; R151-E315 PolarHBondContact NH1-OE1 3.44Å; R151-E315 IonicContact NH1-OE2 2.65Å; R151-E315 IonicContact NH2-OE1 2.75Å; R151-E315 PolarHBondContact NH2-OE1 3.2Å; R151-E315 IonicContact NH2-OE2 3.85Å; R151-E315 PolarHBondContact NH2-OE2 2.81Å; A313-E315 CarbonylContact C-O 3.5Å; A313-E315 PolarHBondContact N-O 3.03Å; A313-E315 PolarHBondContact O-N 3.34Å
316E92.6Very high95.4Very high35 Ų3526.7 Ų26.716%0.16415%0.148CC..SBendtrans-64.4-44.7174.6-175.6-87.5162.700111.8V202 L240 H310 C312 Q337V202-E316 HydrophobicContact CG1-CB 3.61Å; V202-E316 HydrophobicContact CG1-CG 3.63Å; L240-E316 HydrophobicContact CB-CG 3.66Å; L240-E316 HydrophobicContact CD1-CG 3.52Å; L240-E316 HydrophobicContact CG-CG 4.21Å; H310-E316 PolarHBondContact CE1-O 3.46Å; H310-E316 IonicContact CE1-OE1 3.59Å; H310-E316 PolarHBondContact ND1-O 3.46Å; H310-E316 IonicContact NE2-OE1 2.95Å; C312-E316 WeakPolarHBondContact CB-O 3.24Å; E316-Q337 PolarHBondContact OE1-NE2 2.86Å
317W94Very high95.5Very high77 Ų7728.6 Ų28.629%0.29215%0.152SC..  trans-115.1111.2176.3-171-70.8000111N307 H310N307-W317 HydrophobicContact CB-CH2 4.43Å; H310-W317 HydrophobicContact CB-CD2 3.93Å; H310-W317 HydrophobicContact CB-CE3 3.95Å; H310-W317 HydrophobicContact CB-CH2 3.86Å; H310-W317 HydrophobicContact CB-CZ2 3.85Å; H310-W317 HydrophobicContact CB-CZ3 3.92Å; H310-W317 AromaticContact CD2-CD2 4Å; H310-W317 AromaticContact CD2-CE3 3.18Å; H310-W317 AromaticContact CD2-CH2 3.86Å; H310-W317 AromaticContact CD2-CZ3 3.1Å; H310-W317 WeakPolarHBondContact CD2-CZ3 3.31Å; H310-W317 AromaticContact CE1-CE3 3.73Å; H310-W317 AromaticContact CG-CD2 3.66Å; H310-W317 AromaticContact CG-CE3 3.33Å; H310-W317 AromaticContact CG-CZ3 3.54Å; H310-W317 AromaticContact ND1-CD2 3.87Å; H310-W317 AromaticContact ND1-CE3 3.69Å; H310-W317 AromaticContact NE2-CE3 3.48Å; H310-W317 AromaticContact NE2-CZ3 3.76Å
318L95.3Very high95.6Very high7 Ų728 Ų284%0.03715%0.148CC..  trans-90.1-61.9175.8-173.771.9000111.4I145 R151 T152 L311 A313I145-L318 HydrophobicContact CB-CD1 4.33Å; I145-L318 HydrophobicContact CB-CG 4.23Å; I145-L318 HydrophobicContact CG2-CD1 3.46Å; I145-L318 VanDerWaalsContact CG2-CD1 3.46Å; I145-L318 HydrophobicContact CG2-CD2 4.38Å; I145-L318 HydrophobicContact CG2-CG 3.85Å; R151-L318 HydrophobicContact CB-CD2 4.35Å; R151-L318 WeakPolarHBondContact O-CD2 3.28Å; T152-L318 HydrophobicContact CG2-CD2 4.5Å; L311-L318 HydrophobicContact CB-CB 4.07Å; L311-L318 HydrophobicContact CB-CD2 4.21Å; L311-L318 PolarHBondContact O-N 2.83Å; A313-L318 HydrophobicContact CB-CD1 4.26Å; A313-L318 HydrophobicContact CB-CD2 4.19Å
319A95.2Very high95.6Very high15 Ų1532.9 Ų32.912%0.12417%0.169CC..BIsolated β-bridgetrans-167.5162.2177.900000108.6I145 L311I145-A319 WeakPolarHBondContact O-CB 2.81Å; L311-A319 VanDerWaalsContact CB-O 3.31Å; L311-A319 WeakPolarHBondContact CB-O 3.48Å; L311-A319 PolarHBondContact N-O 3.28Å
320S96.6Very high95.7Very high18 Ų1832.9 Ų32.913%0.12617%0.169CC..  trans-118119.5178.2176.40000110.9N307 G309 V322 Y323N307-S320 PolarHBondContact ND2-OG 3.43Å; G309-S320 PolarHBondContact O-OG 2.84Å; S320-V322 PolarHBondContact OG-N 3.04Å; S320-V322 PolarHBondContact OG-O 3.48Å; S320-Y323 WeakPolarHBondContact O-CD1 3.04Å
321P97Very high95.8Very high0 Ų035.5 Ų35.50%018%0.182CC..SBendtrans-79.9-5.6167.831.9-33.1000112.1G286 L311 S326 E328 L330 L336G286-P321 WeakPolarHBondContact CA-O 3.07Å; L311-P321 HydrophobicContact CG-CG 4.45Å; P321-S326 VanDerWaalsContact O-CB 3.26Å; P321-S326 WeakPolarHBondContact O-CB 3.39Å; P321-S326 PolarHBondContact O-OG 3.06Å; P321-E328 HydrophobicContact CB-CB 4.03Å; P321-L330 HydrophobicContact CB-CD2 3.98Å; P321-L330 HydrophobicContact CG-CD2 3.59Å; P321-L336 HydrophobicContact CG-CD2 4.37Å
322V97.4Very high95.9Very high0 Ų036.5 Ų36.50%019%0.189CC..  trans-106.190.3-171.4-172.10000110.3L289 N307 P308 S320L289-V322 HydrophobicContact CB-CG1 4.25Å; L289-V322 HydrophobicContact CD2-CG1 4.42Å; L289-V322 HydrophobicContact CD2-CG2 4Å; L289-V322 HydrophobicContact CG-CG1 4.3Å; N307-V322 WeakPolarHBondContact CB-O 3.01Å; N307-V322 PolarHBondContact ND2-O 3.06Å; P308-V322 HydrophobicContact CG-CG1 3.88Å; S320-V322 PolarHBondContact OG-N 3.04Å; S320-V322 PolarHBondContact OG-O 3.48Å
323Y96.3Very high96Very high76 Ų7636.5 Ų36.530%0.29819%0.189SC..SBendtrans-144.3166.217954.4-94.8000110.9S320 A325 S326 E328S320-Y323 WeakPolarHBondContact O-CD1 3.04Å; Y323-A325 PolarHBondContact O-N 2.46Å; Y323-S326 WeakPolarHBondContact CE1-OG 3.41Å; Y323-S326 VanDerWaalsContact CE2-CB 3.44Å; Y323-S326 VanDerWaalsContact O-CB 3.24Å; Y323-S326 WeakPolarHBondContact O-CB 2.68Å; Y323-S326 PolarHBondContact O-N 2.79Å; Y323-E328 HydrophobicContact CE1-CG 4.45Å; Y323-E328 VanDerWaalsContact CE1-OE1 3.24Å; Y323-E328 WeakPolarHBondContact CE1-OE1 3.47Å; Y323-E328 PolarHBondContact OH-OE1 2.95Å
324P96Very high96.1Very high73 Ų7336.7 Ų36.747%0.47419%0.19SC..THydrogen-bonded Turntrans-53.1128.8179.8-24.832000111.8Y290 S326Y290-P324 HydrophobicContact CD2-CG 4.32Å; Y290-P324 HydrophobicContact CE1-CB 4.39Å; Y290-P324 HydrophobicContact CE1-CG 3.98Å; Y290-P324 HydrophobicContact CE2-CG 3.7Å; P324-S326 PolarHBondContact O-N 3.31Å; P324-S326 VanDerWaalsContact O-N 3.12Å
325A96Very high96.3Very high76 Ų7636.4 Ų36.463%0.62819%0.188SC*.THydrogen-bonded Turntrans57.219.6-179.100000115.5Y323 K327Y323-A325 PolarHBondContact O-N 2.46Å; A325-K327 PolarHBondContact O-N 2.96Å
326S96.9Very high96.6Very high0 Ų035.3 Ų35.30%018%0.183CC..  trans-54.1130.3172.1177.30000112.6A287 P321 Y323 P324 E328A287-S326 WeakPolarHBondContact CB-O 3.49Å; A287-S326 PolarHBondContact N-O 3.06Å; P321-S326 VanDerWaalsContact O-CB 3.26Å; P321-S326 WeakPolarHBondContact O-CB 3.39Å; P321-S326 PolarHBondContact O-OG 3.06Å; Y323-S326 WeakPolarHBondContact CE1-OG 3.41Å; Y323-S326 VanDerWaalsContact CE2-CB 3.44Å; Y323-S326 VanDerWaalsContact O-CB 3.24Å; Y323-S326 WeakPolarHBondContact O-CB 2.68Å; Y323-S326 PolarHBondContact O-N 2.79Å; P324-S326 PolarHBondContact O-N 3.31Å; P324-S326 VanDerWaalsContact O-N 3.12Å; S326-E328 PolarHBondContact OG-N 2.81Å
327K96.6Very high96.7Very high131 Ų13133.7 Ų33.757%0.5718%0.175SC*.  trans-102-0.1174.7-61.8-58.5173.5-171.50113.6E285 A325 K329E285-K327 WeakPolarHBondContact OE2-CD 3.39Å; E285-K327 IonicContact OE2-NZ 3.66Å; E285-K327 PolarHBondContact OE2-NZ 3.05Å; A325-K327 PolarHBondContact O-N 2.96Å; K327-K329 PolarHBondContact O-N 3.23Å
328E96.8Very high96.8Very high30 Ų3031 Ų3114%0.1417%0.166CC..PPolyproline II helixtrans-68.9132177.6-56.4-171.7-14400109.6E147 E285 G286 P321 Y323 S326E147-E328 HydrophobicContact CB-CG 3.95Å; E147-E328 HydrophobicContact CG-CB 4.07Å; E147-E328 HydrophobicContact CG-CG 3.65Å; E285-E328 CarbonylContact C-O 3.55Å; E285-E328 WeakPolarHBondContact CA-O 3.12Å; G286-E328 PolarHBondContact N-O 3.48Å; P321-E328 HydrophobicContact CB-CB 4.03Å; Y323-E328 HydrophobicContact CE1-CG 4.45Å; Y323-E328 VanDerWaalsContact CE1-OE1 3.24Å; Y323-E328 WeakPolarHBondContact CE1-OE1 3.47Å; Y323-E328 PolarHBondContact OH-OE1 2.95Å; S326-E328 PolarHBondContact OG-N 2.81Å
329K97.3Very high96.7Very high105 Ų10531.1 Ų31.146%0.45717%0.166SC..BIsolated β-bridgetrans-88.7135.6175.9-69.2-171.4174.4-168.50110.6L284 K327L284-K329 WeakPolarHBondContact O-CA 3.36Å; K327-K329 PolarHBondContact O-N 3.23Å
330L97.7Very high96.7Very high0 Ų030.6 Ų30.60%016%0.161CC..PPolyproline II helixtrans-70.4134170.2-56.7-173000110I280 T282 D283 L284 L289 P321 M334 L336 L358I280-L330 HydrophobicContact CD1-CD1 4.07Å; I280-L330 HydrophobicContact CG1-CD1 3.65Å; T282-L330 CarbonylContact C-O 3.52Å; D283-L330 PolarHBondContact N-O 3.06Å; L284-L330 HydrophobicContact CB-CD1 4.3Å; L284-L330 HydrophobicContact CB-CG 4.49Å; L284-L330 HydrophobicContact CD2-CD1 4.31Å; L284-L330 WeakPolarHBondContact O-CG 3.4Å; L284-L330 PolarHBondContact O-N 2.95Å; L289-L330 HydrophobicContact CD2-CD1 4.26Å; P321-L330 HydrophobicContact CB-CD2 3.98Å; P321-L330 HydrophobicContact CG-CD2 3.59Å; L330-M334 HydrophobicContact CB-SD 4.4Å; L330-M334 HydrophobicContact CD2-SD 4.21Å; L330-L336 HydrophobicContact CD2-CD2 4.14Å; L330-L358 HydrophobicContact CB-CD1 3.79Å; L330-L358 HydrophobicContact CD1-CD1 4.27Å
331Q97.8Very high96.5Very high55 Ų5532.7 Ų32.726%0.25717%0.171SC..  trans-120.4155.4-172.3-65175.5-45.300112N148 T153 M334N148-Q331 PolarHBondContact OD1-NE2 2.88Å; T153-Q331 HydrophobicContact CG2-CB 3.82Å; Q331-M334 HydrophobicContact CB-CE 3.97Å; Q331-M334 HydrophobicContact CB-CG 4.22Å; Q331-M334 HydrophobicContact CB-SD 4.27Å; Q331-M334 HydrophobicContact CG-CE 4.07Å; Q331-M334 PolarHBondContact N-SD 3.44Å; Q331-M334 WeakPolarHBondContact O-CB 3.17Å; Q331-M334 WeakPolarHBondContact O-CG 3.42Å; Q331-M334 PolarHBondContact O-N 2.68Å
332S98.1Very high96.4Very high26 Ų2633.1 Ų33.118%0.18217%0.173CC..THydrogen-bonded Turntrans-57.9138.6165.3-169.10000109.9T153 D360 L363T153-S332 WeakPolarHBondContact CG2-O 3.5Å; S332-D360 WeakPolarHBondContact CB-OD2 3.31Å; S332-D360 PolarHBondContact OG-N 3.02Å; S332-D360 PolarHBondContact OG-OD1 2.65Å; S332-D360 PolarHBondContact OG-OD2 3.35Å; S332-L363 WeakPolarHBondContact OG-CB 3.44Å; S332-L363 WeakPolarHBondContact OG-CD2 3.45Å
333G98Very high96.3Very high1 Ų135.9 Ų35.91%0.0119%0.192CC..THydrogen-bonded Turntrans89.3-9.1-174.700000114.8N154 L358N154-G333 WeakPolarHBondContact CB-O 3.35Å; N154-G333 PolarHBondContact N-O 3.28Å; N154-G333 PolarHBondContact ND2-O 3.41Å; N154-G333 WeakPolarHBondContact O-CA 3.27Å; G333-L358 PolarHBondContact N-O 3.02Å
334M98Very high96.2Very high5 Ų533 Ų333%0.02518%0.183CC..  trans-69.5131.1173.3-71.7-173.6170.200110.8T152 T153 L311 L330 Q331 L336 V357 L358T152-M334 WeakPolarHBondContact O-CG 3.45Å; T153-M334 HydrophobicContact CG2-CG 4.02Å; L311-M334 HydrophobicContact CD2-CB 3.68Å; L311-M334 HydrophobicContact CD2-CG 3.79Å; L311-M334 HydrophobicContact CD2-SD 4.05Å; L330-M334 HydrophobicContact CB-SD 4.4Å; L330-M334 HydrophobicContact CD2-SD 4.21Å; Q331-M334 HydrophobicContact CB-CE 3.97Å; Q331-M334 HydrophobicContact CB-CG 4.22Å; Q331-M334 HydrophobicContact CB-SD 4.27Å; Q331-M334 HydrophobicContact CG-CE 4.07Å; Q331-M334 PolarHBondContact N-SD 3.44Å; Q331-M334 WeakPolarHBondContact O-CB 3.17Å; Q331-M334 WeakPolarHBondContact O-CG 3.42Å; Q331-M334 PolarHBondContact O-N 2.68Å; M334-L336 HydrophobicContact CB-CD1 3.63Å; M334-L336 HydrophobicContact CB-CG 4.46Å; M334-V357 WeakPolarHBondContact O-CA 3.32Å; M334-L358 PolarHBondContact O-N 2.82Å
335I97.5Very high96Very high12 Ų1235.3 Ų35.36%0.06220%0.198CC..EExtended strand (participates in β ladder)trans-104.5108.2170.3-51.2174000107.2Y162 L311 C312 V357Y162-I335 HydrophobicContact CD2-CD1 3.57Å; Y162-I335 HydrophobicContact CE2-CD1 4.46Å; Y162-I335 HydrophobicContact CG-CD1 3.9Å; L311-I335 WeakPolarHBondContact CA-O 3.34Å; C312-I335 PolarHBondContact N-O 3.1Å; C312-I335 WeakPolarHBondContact SG-CG2 3.37Å; I335-V357 HydrophobicContact CG1-CB 4.37Å; I335-V357 HydrophobicContact CG1-CG2 4.08Å
336L97.1Very high95.7Very high0 Ų034.3 Ų34.30%020%0.195CC..EExtended strand (participates in β ladder)trans-107.5141-177-63.3100000111.2W276 I280 H310 L311 P321 L330 M334 G355 V356 L358W276-L336 HydrophobicContact CH2-CB 4.02Å; W276-L336 HydrophobicContact CZ2-CB 4.34Å; I280-L336 HydrophobicContact CD1-CD1 4.03Å; I280-L336 HydrophobicContact CD1-CD2 4.07Å; I280-L336 HydrophobicContact CD1-CG 4.43Å; H310-L336 CarbonylContact O-C 3.54Å; H310-L336 VanDerWaalsContact O-CA 3.24Å; H310-L336 WeakPolarHBondContact O-CA 3.45Å; L311-L336 HydrophobicContact CD2-CG 4.08Å; P321-L336 HydrophobicContact CG-CD2 4.37Å; L330-L336 HydrophobicContact CD2-CD2 4.14Å; M334-L336 HydrophobicContact CB-CD1 3.63Å; M334-L336 HydrophobicContact CB-CG 4.46Å; L336-G355 CarbonylContact O-C 3.49Å; L336-G355 WeakPolarHBondContact O-CA 3.49Å; L336-V356 PolarHBondContact N-O 3.28Å; L336-V356 PolarHBondContact O-N 2.95Å; L336-L358 HydrophobicContact CD1-CD1 3.8Å; L336-L358 HydrophobicContact CD1-CG 3.86Å
337Q96.1Very high95.5Very high0 Ų036.5 Ų36.50%020%0.203CC..EExtended strand (participates in β ladder)trans-92.8129.4162.4-170.7163.1-66.100109G309 H310 E316 D339 G354G309-Q337 WeakPolarHBondContact CA-O 3.41Å; H310-Q337 PolarHBondContact N-O 2.84Å; H310-Q337 PolarHBondContact NE2-NE2 2.91Å; H310-Q337 PolarHBondContact O-N 3.12Å; E316-Q337 PolarHBondContact OE1-NE2 2.86Å; Q337-D339 HydrophobicContact CG-CB 4.32Å; Q337-D339 PolarHBondContact O-N 3.25Å; Q337-G354 WeakPolarHBondContact CA-O 3.27Å
338F94.2Very high95.1Very high22 Ų2231.1 Ų31.110%0.09618%0.182CC..EExtended strand (participates in β ladder)trans-78.699.8163.355.3-85.1000107.9V273 W276 L277 C352 G354 V356V273-F338 HydrophobicContact CG1-CD2 3.79Å; V273-F338 HydrophobicContact CG1-CE2 3.66Å; V273-F338 HydrophobicContact CG2-CD2 4.38Å; W276-F338 HydrophobicContact CD2-CB 3.59Å; W276-F338 HydrophobicContact CE3-CB 3.64Å; W276-F338 HydrophobicContact CE3-CD1 4.45Å; W276-F338 HydrophobicContact CE3-CG 4.34Å; W276-F338 HydrophobicContact CG-CB 4.2Å; W276-F338 HydrophobicContact CH2-CB 3.85Å; W276-F338 HydrophobicContact CZ2-CB 3.81Å; W276-F338 HydrophobicContact CZ3-CB 3.78Å; W276-F338 HydrophobicContact CZ3-CD1 4.15Å; W276-F338 HydrophobicContact CZ3-CG 4.39Å; L277-F338 HydrophobicContact CD2-CD1 4.21Å; L277-F338 HydrophobicContact CD2-CE1 4.32Å; F338-C352 WeakPolarHBondContact CE2-O 3.18Å; F338-G354 WeakPolarHBondContact CD1-O 3.27Å; F338-G354 VanDerWaalsContact CE1-C 3.47Å; F338-G354 WeakPolarHBondContact CE1-O 3.5Å; F338-G354 PolarHBondContact N-O 3.12Å; F338-V356 HydrophobicContact CD1-CG2 3.95Å; F338-V356 HydrophobicContact CE1-CG2 4.03Å
339D94.4Very high94.6Very high9 Ų931.1 Ų31.15%0.04819%0.19CC..  trans-115.198.9-178.9-176.816.5000109.5P308 G309 H310 Q337 I341P308-D339 CarbonylContact C-O 3.47Å; P308-D339 WeakPolarHBondContact CA-O 3.26Å; G309-D339 PolarHBondContact N-O 3.03Å; H310-D339 IonicContact NE2-OD2 3.04Å; Q337-D339 HydrophobicContact CG-CB 4.32Å; Q337-D339 PolarHBondContact O-N 3.25Å; D339-I341 WeakPolarHBondContact OD1-CD1 3.15Å; D339-I341 WeakPolarHBondContact OD1-CG1 3.39Å
340I94.8Very high94.3Very high3 Ų326.5 Ų26.52%0.01517%0.171CC..  trans-123119.3178.7-56.4170.9000106.2Y269 A272 W276 I293 L297 P308 P342Y269-I340 HydrophobicContact CD2-CG2 4.4Å; Y269-I340 HydrophobicContact CE2-CB 3.9Å; Y269-I340 HydrophobicContact CE2-CG2 4.01Å; Y269-I340 WeakPolarHBondContact CE2-O 3.29Å; Y269-I340 PolarHBondContact OH-O 2.9Å; A272-I340 HydrophobicContact CB-CD1 4.39Å; W276-I340 HydrophobicContact CB-CD1 4.37Å; W276-I340 HydrophobicContact CG-CD1 4.5Å; I293-I340 HydrophobicContact CD1-CD1 3.86Å; I293-I340 HydrophobicContact CG1-CD1 4.26Å; I293-I340 HydrophobicContact CG2-CD1 4.28Å; I293-I340 HydrophobicContact CG2-CG2 4.46Å; L297-I340 HydrophobicContact CD2-CG2 3.63Å; P308-I340 HydrophobicContact CB-CG1 3.95Å; I340-P342 WeakPolarHBondContact O-CD 2.87Å
341I93.4Very high94Very high63 Ų6327 Ų2732%0.32318%0.175SC..  trans-122.590.6-175.7-50.3-174.3000109.8W304 L306 D339W304-I341 WeakPolarHBondContact CA-O 3.2Å; W304-I341 WeakPolarHBondContact CB-O 3.33Å; L306-I341 HydrophobicContact CD1-CD1 4.08Å; D339-I341 WeakPolarHBondContact OD1-CD1 3.15Å; D339-I341 WeakPolarHBondContact OD1-CG1 3.39Å
342P94.6Very high93.8Very high8 Ų826.6 Ų26.65%0.05218%0.178CC..  trans-66.2141.1171.228.6-33.5000110.4Y269 I340Y269-P342 HydrophobicContact CD2-CG 3.85Å; Y269-P342 HydrophobicContact CE2-CG 4.37Å; I340-P342 WeakPolarHBondContact O-CD 2.87Å
343S94Very high93.6Very high58 Ų5825.9 Ų25.941%0.40617%0.172SC..  trans-130.386178.7-171.10000108.9Y302Y302-S343 CarbonylContact O-C 3.55Å; Y302-S343 PolarHBondContact O-N 2.84Å
344V94.5Very high93.3Very high17 Ų1725.9 Ų25.910%0.10317%0.172CC..  trans-102.9116.2179.1-175.40000108.8I265 Y302 G346 Y347I265-V344 HydrophobicContact CD1-CB 3.51Å; I265-V344 HydrophobicContact CD1-CG1 3.96Å; I265-V344 HydrophobicContact CD1-CG2 3.39Å; Y302-V344 HydrophobicContact CD1-CG2 4.11Å; V344-G346 PolarHBondContact O-N 2.81Å; V344-Y347 HydrophobicContact CB-CD2 4.22Å; V344-Y347 HydrophobicContact CG1-CD2 3.7Å; V344-Y347 HydrophobicContact CG1-CE2 4.18Å; V344-Y347 PolarHBondContact O-N 3.32Å; V344-Y347 VanDerWaalsContact O-N 3.11Å
345P91.6Very high93.1Very high121 Ų12127.2 Ų27.279%0.78619%0.186SC*.THydrogen-bonded Turntrans-52.3135.2179.6-2835000112.3Y347P345-Y347 VanDerWaalsContact C-N 3.34Å
346G90.6Very high92.9Very high54 Ų5428.4 Ų28.456%0.55719%0.194SC*.THydrogen-bonded Turntrans92.1-21.2-178.500000114.5R229 V344R229-G346 PolarHBondContact NH2-O 3.1Å; V344-G346 PolarHBondContact O-N 2.81Å
347Y92.1Very high92.8Very high46 Ų4630.7 Ų30.718%0.1821%0.208CC..SBendtrans-105.6160.9-177.5-63.6-93000112.5R229 E258 D260 Y261 R264 I265 V344 P345R229-Y347 PolarHBondContact NH1-O 3.02Å; E258-Y347 HydrophobicContact CB-CD1 4.46Å; E258-Y347 HydrophobicContact CG-CD1 4.44Å; D260-Y347 PolarHBondContact OD1-OH 3.02Å; D260-Y347 VanDerWaalsContact OD1-OH 3.06Å; Y261-Y347 HydrophobicContact CD2-CD1 4.38Å; R264-Y347 HydrophobicContact CB-CE1 4.17Å; R264-Y347 HydrophobicContact CG-CE1 4.01Å; R264-Y347 HydrophobicContact CG-CE2 4.04Å; I265-Y347 HydrophobicContact CD1-CD2 4.35Å; I265-Y347 HydrophobicContact CD1-CG 4.09Å; I265-Y347 HydrophobicContact CG1-CD1 3.89Å; I265-Y347 HydrophobicContact CG1-CG 3.83Å; V344-Y347 HydrophobicContact CB-CD2 4.22Å; V344-Y347 HydrophobicContact CG1-CD2 3.7Å; V344-Y347 HydrophobicContact CG1-CE2 4.18Å; V344-Y347 PolarHBondContact O-N 3.32Å; V344-Y347 VanDerWaalsContact O-N 3.11Å; P345-Y347 VanDerWaalsContact C-N 3.34Å
348S88.3Confident92.8Very high19 Ų1931.3 Ų31.313%0.13321%0.211CC..  trans-74.7161.1161.6-160.80000110.9Y246Y246-S348 VanDerWaalsContact CZ-CB 3.4Å; Y246-S348 WeakPolarHBondContact OH-CB 3.15Å; Y246-S348 PolarHBondContact OH-N 3.23Å
349G87Confident92.9Very high29 Ų2931 Ų3130%0.29921%0.212SC..  trans-71.5158.9168.200000111.5Y261Y261-G349 PolarHBondContact OH-O 3.38Å
350A91.3Very high92.9Very high8 Ų833.5 Ų33.57%0.06623%0.226CC..  trans-110.424.1175.900000112.7Y261 I265 Y269 C352Y261-A350 WeakPolarHBondContact OH-CA 3.46Å; Y261-A350 WeakPolarHBondContact OH-CB 3.49Å; I265-A350 HydrophobicContact CG2-CB 3.79Å; Y269-A350 HydrophobicContact CD1-CB 3.76Å; Y269-A350 WeakPolarHBondContact CD1-O 3.34Å; Y269-A350 HydrophobicContact CE1-CB 4.43Å; Y269-A350 WeakPolarHBondContact CE1-O 3.03Å; Y269-A350 HydrophobicContact CG-CB 3.91Å; A350-C352 PolarHBondContact O-N 3.3Å
351S91.7Very high92.9Very high11 Ų1141.4 Ų41.48%0.07726%0.263CS..  trans-40.2122.9-174-75.90000112.2R243 G244 E353R243-S351 CarbonylContact C-O 3.42Å; R243-S351 VanDerWaalsContact CA-O 3.23Å; R243-S351 WeakPolarHBondContact CA-O 3.46Å; G244-S351 PolarHBondContact N-O 3.13Å; S351-E353 WeakPolarHBondContact CB-OE1 3.06Å; S351-E353 PolarHBondContact OG-OE1 3.44Å
352C93.3Very high93.1Very high46 Ų4646 Ų4631%0.31128%0.283SS..EExtended strand (participates in β ladder)trans-140.486.3165.9-171.80000104.7S242 R243 Y269 F338 A350S242-C352 WeakPolarHBondContact O-CA 3.28Å; R243-C352 VanDerWaalsContact CZ-SG 3.57Å; Y269-C352 HydrophobicContact CE1-CB 3.77Å; Y269-C352 PolarHBondContact OH-N 2.86Å; Y269-C352 PolarHBondContact OH-O 3.21Å; F338-C352 WeakPolarHBondContact CE2-O 3.18Å; A350-C352 PolarHBondContact O-N 3.3Å
353E93Very high93.2Very high12 Ų1246.5 Ų46.56%0.05629%0.285CS..EExtended strand (participates in β ladder)trans-105.2148.4-175-62.5149-138.900109.2L240 Q241 S242 R243 S351L240-E353 HydrophobicContact CD2-CB 4.44Å; Q241-E353 PolarHBondContact OE1-O 3.09Å; S242-E353 VanDerWaalsContact CB-CD 3.43Å; S242-E353 WeakPolarHBondContact CB-OE2 3.45Å; S242-E353 PolarHBondContact O-N 2.9Å; S242-E353 VanDerWaalsContact O-N 3.12Å; R243-E353 PolarHBondContact NH1-O 2.65Å; S351-E353 WeakPolarHBondContact CB-OE1 3.06Å; S351-E353 PolarHBondContact OG-OE1 3.44Å
354G92.1Very high93.3Very high1 Ų148.8 Ų48.81%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-172.2166.4175.200000114.2Q241 Q337 F338Q241-G354 VanDerWaalsContact NE2-CA 3.26Å; Q337-G354 WeakPolarHBondContact CA-O 3.27Å; F338-G354 WeakPolarHBondContact CD1-O 3.27Å; F338-G354 VanDerWaalsContact CE1-C 3.47Å; F338-G354 WeakPolarHBondContact CE1-O 3.5Å; F338-G354 PolarHBondContact N-O 3.12Å
355G92.9Very high93.4Very high32 Ų3250.5 Ų50.533%0.3330%0.301SS..EExtended strand (participates in β ladder)trans-87.4145-179.200000114.2L336L336-G355 CarbonylContact O-C 3.49Å; L336-G355 WeakPolarHBondContact O-CA 3.49Å
356V94Very high93.7Very high38 Ų3845.6 Ų45.623%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-135.8130.7172.91770000108.4W276 L277 L336 F338W276-V356 HydrophobicContact CZ3-CB 4.36Å; W276-V356 HydrophobicContact CZ3-CG2 4.16Å; L277-V356 HydrophobicContact CD2-CG2 3.78Å; L336-V356 PolarHBondContact N-O 3.28Å; L336-V356 PolarHBondContact O-N 2.95Å; F338-V356 HydrophobicContact CD1-CG2 3.95Å; F338-V356 HydrophobicContact CE1-CG2 4.03Å
357V95.4Very high94Very high47 Ų4743.1 Ų43.129%0.28524%0.244SC..EExtended strand (participates in β ladder)trans-96.4129.2170.863.30000110.2I159 M334 I335I159-V357 HydrophobicContact CD1-CG2 3.76Å; I159-V357 HydrophobicContact CG1-CG2 4.09Å; M334-V357 WeakPolarHBondContact O-CA 3.32Å; I335-V357 HydrophobicContact CG1-CB 4.37Å; I335-V357 HydrophobicContact CG1-CG2 4.08Å
358L96Very high94.1Very high14 Ų1445.9 Ų45.97%0.07326%0.259CS..  trans-82.6124.9167.8-67.6-178.4000109I280 T282 L330 G333 M334 L336I280-L358 HydrophobicContact CD1-CD1 4.21Å; I280-L358 HydrophobicContact CD1-CD2 4.23Å; I280-L358 HydrophobicContact CD1-CG 4.38Å; I280-L358 HydrophobicContact CG1-CD1 4.17Å; I280-L358 HydrophobicContact CG1-CD2 4.06Å; I280-L358 HydrophobicContact CG2-CD2 4.49Å; T282-L358 HydrophobicContact CG2-CB 4.37Å; L330-L358 HydrophobicContact CB-CD1 3.79Å; L330-L358 HydrophobicContact CD1-CD1 4.27Å; G333-L358 PolarHBondContact N-O 3.02Å; M334-L358 PolarHBondContact O-N 2.82Å; L336-L358 HydrophobicContact CD1-CD1 3.8Å; L336-L358 HydrophobicContact CD1-CG 3.86Å
359A95.1Very high94.6Very high14 Ų1453.6 Ų53.612%0.11629%0.285CS..  trans-139.1121.4176.200000109.1L363 R364A359-L363 HydrophobicContact CB-CB 4.18Å; A359-L363 HydrophobicContact CB-CD2 3.9Å; A359-L363 HydrophobicContact CB-CG 4.04Å; A359-R364 HydrophobicContact CB-CG 3.91Å; A359-R364 VanDerWaalsContact O-CZ 3.25Å; A359-R364 PolarHBondContact O-NE 2.79Å; A359-R364 PolarHBondContact O-NH2 2.92Å
360D94.5Very high95.1Very high62 Ų6256.8 Ų56.833%0.33229%0.292SS..  trans-72.3-177.2167.860.813.2000111.5S332 E362 L363 R364S332-D360 WeakPolarHBondContact CB-OD2 3.31Å; S332-D360 PolarHBondContact OG-N 3.02Å; S332-D360 PolarHBondContact OG-OD1 2.65Å; S332-D360 PolarHBondContact OG-OD2 3.35Å; D360-E362 VanDerWaalsContact C-N 3.34Å; D360-E362 PolarHBondContact O-N 3.05Å; D360-E362 PolarHBondContact OD1-N 2.98Å; D360-L363 VanDerWaalsContact OD1-CB 3.28Å; D360-L363 WeakPolarHBondContact OD1-CB 3.45Å; D360-L363 PolarHBondContact OD1-N 3.48Å; D360-R364 WeakPolarHBondContact O-CB 3.3Å; D360-R364 WeakPolarHBondContact O-CD 3.36Å; D360-R364 WeakPolarHBondContact O-CG 3.38Å; D360-R364 PolarHBondContact O-N 3.48Å
361E94.8Very high95.4Very high169 Ų16959.5 Ų59.579%0.7930%0.301SS*.Hα-helixtrans-62.2-40-178.2-65.6-177.3174.300112.7R364 A365E361-R364 PolarHBondContact O-N 2.9Å; E361-A365 WeakPolarHBondContact O-CB 3.17Å; E361-A365 PolarHBondContact O-N 3.31Å
362E97.6Very high95.5Very high159 Ų15962.7 Ų62.774%0.74332%0.322SS*.Hα-helixtrans-65.3-49-179.4-176.2175.1-179.600111.1D360 R364 A365 A366D360-E362 VanDerWaalsContact C-N 3.34Å; D360-E362 PolarHBondContact O-N 3.05Å; D360-E362 PolarHBondContact OD1-N 2.98Å; E362-R364 VanDerWaalsContact C-N 3.35Å; E362-R364 PolarHBondContact O-N 3.4Å; E362-A365 PolarHBondContact O-N 3.02Å; E362-A366 PolarHBondContact O-N 2.97Å
363L97.8Very high95.4Very high19 Ų1967.7 Ų67.710%0.09934%0.34CS..Hα-helixtrans-66.9-37.1179.7-176.155.8000112A156 I159 S332 A359 D360 A366 I367A156-L363 HydrophobicContact CB-CD1 4.42Å; I159-L363 HydrophobicContact CD1-CD1 4.11Å; I159-L363 HydrophobicContact CD1-CD2 3.66Å; I159-L363 HydrophobicContact CD1-CG 4.14Å; S332-L363 WeakPolarHBondContact OG-CB 3.44Å; S332-L363 WeakPolarHBondContact OG-CD2 3.45Å; A359-L363 HydrophobicContact CB-CB 4.18Å; A359-L363 HydrophobicContact CB-CD2 3.9Å; A359-L363 HydrophobicContact CB-CG 4.04Å; D360-L363 VanDerWaalsContact OD1-CB 3.28Å; D360-L363 WeakPolarHBondContact OD1-CB 3.45Å; D360-L363 PolarHBondContact OD1-N 3.48Å; L363-A366 PolarHBondContact O-N 3.43Å; L363-I367 HydrophobicContact CD1-CD1 4.45Å; L363-I367 HydrophobicContact CG-CD1 4.18Å; L363-I367 WeakPolarHBondContact O-CG1 3.29Å; L363-I367 PolarHBondContact O-N 3.29Å
364R95Very high95.3Very high107 Ų10767.4 Ų67.440%0.40434%0.339SS..Hα-helixtrans-60.9-45.1172.8-73.5169.5-169.1-170.16.6111.5A359 D360 E361 E362 A366 I367 Q368 W375A359-R364 HydrophobicContact CB-CG 3.91Å; A359-R364 VanDerWaalsContact O-CZ 3.25Å; A359-R364 PolarHBondContact O-NE 2.79Å; A359-R364 PolarHBondContact O-NH2 2.92Å; D360-R364 WeakPolarHBondContact O-CB 3.3Å; D360-R364 WeakPolarHBondContact O-CD 3.36Å; D360-R364 WeakPolarHBondContact O-CG 3.38Å; D360-R364 PolarHBondContact O-N 3.48Å; E361-R364 PolarHBondContact O-N 2.9Å; E362-R364 VanDerWaalsContact C-N 3.35Å; E362-R364 PolarHBondContact O-N 3.4Å; R364-A366 VanDerWaalsContact C-N 3.33Å; R364-A366 PolarHBondContact O-N 2.89Å; R364-I367 PolarHBondContact O-N 3.18Å; R364-Q368 WeakPolarHBondContact O-CB 3.47Å; R364-Q368 PolarHBondContact O-N 3.13Å; R364-W375 HydrophobicContact CB-CH2 4.05Å; R364-W375 HydrophobicContact CB-CZ3 4.09Å; R364-W375 HydrophobicContact CG-CH2 4.32Å; R364-W375 HydrophobicContact CG-CZ3 4.22Å
365A96.8Very high95.2Very high53 Ų5369.1 Ų69.144%0.43835%0.345SS..Hα-helixtrans-63.6-39.3177.500000111.7E361 E362 Q368 R369E361-A365 WeakPolarHBondContact O-CB 3.17Å; E361-A365 PolarHBondContact O-N 3.31Å; E362-A365 PolarHBondContact O-N 3.02Å; A365-Q368 PolarHBondContact O-N 3.41Å; A365-R369 VanDerWaalsContact O-CB 3.3Å; A365-R369 WeakPolarHBondContact O-CB 3.33Å; A365-R369 PolarHBondContact O-N 2.78Å
366A98.3Very high94.8Very high17 Ų1770.2 Ų70.214%0.1435%0.351CS..Hα-helixtrans-62.4-47.9174.300000111.8A156 E362 L363 R364 Q368 R369 E370A156-A366 HydrophobicContact CB-CB 4.13Å; E362-A366 PolarHBondContact O-N 2.97Å; L363-A366 PolarHBondContact O-N 3.43Å; R364-A366 VanDerWaalsContact C-N 3.33Å; R364-A366 PolarHBondContact O-N 2.89Å; A366-Q368 PolarHBondContact O-N 3.37Å; A366-R369 PolarHBondContact O-N 3.12Å; A366-E370 WeakPolarHBondContact O-CB 3.23Å; A366-E370 WeakPolarHBondContact O-CG 3.5Å; A366-E370 PolarHBondContact O-N 2.82Å
367I96.4Very high94.2Very high3 Ų372.8 Ų72.82%0.01536%0.357CS..Hα-helixtrans-58.7-47.8175.8-72.1166.8000111.1A156 I159 L363 R364 R369 Y371 M374 W375 M378A156-I367 HydrophobicContact CB-CG1 3.85Å; I159-I367 HydrophobicContact CD1-CD1 4.12Å; I159-I367 HydrophobicContact CG2-CD1 4.14Å; L363-I367 HydrophobicContact CD1-CD1 4.45Å; L363-I367 HydrophobicContact CG-CD1 4.18Å; L363-I367 WeakPolarHBondContact O-CG1 3.29Å; L363-I367 PolarHBondContact O-N 3.29Å; R364-I367 PolarHBondContact O-N 3.18Å; I367-R369 VanDerWaalsContact C-N 3.3Å; I367-R369 PolarHBondContact O-N 2.8Å; I367-Y371 CarbonylContact O-C 3.28Å; I367-Y371 WeakPolarHBondContact O-CA 3.3Å; I367-Y371 PolarHBondContact O-N 2.87Å; I367-M374 HydrophobicContact CB-CE 4.38Å; I367-M374 HydrophobicContact CG1-CE 4.13Å; I367-M374 HydrophobicContact CG2-CE 3.5Å; I367-W375 HydrophobicContact CG2-CB 4.28Å; I367-W375 HydrophobicContact CG2-CE3 3.89Å; I367-M378 HydrophobicContact CG2-SD 4.37Å
368Q95.7Very high93.6Very high104 Ų10472 Ų7249%0.48635%0.35SS..Hα-helixtrans-59.5-41.8179.6178.4174.515.700112.2R364 A365 A366 W375R364-Q368 WeakPolarHBondContact O-CB 3.47Å; R364-Q368 PolarHBondContact O-N 3.13Å; A365-Q368 PolarHBondContact O-N 3.41Å; A366-Q368 PolarHBondContact O-N 3.37Å; Q368-W375 HydrophobicContact CB-CB 4.49Å; Q368-W375 HydrophobicContact CB-CD2 3.81Å; Q368-W375 HydrophobicContact CB-CE3 4.39Å; Q368-W375 HydrophobicContact CB-CG 3.85Å; Q368-W375 HydrophobicContact CB-CZ2 4.46Å; Q368-W375 HydrophobicContact CG-CD2 4.25Å; Q368-W375 HydrophobicContact CG-CG 4Å
369R97.5Very high92.8Very high181 Ų18174.4 Ų74.468%0.68336%0.361SS*.Hα-helixtrans-73.5-44.1-178.3-178.8-177.165-152.2-2.8112.5A365 A366 I367A365-R369 VanDerWaalsContact O-CB 3.3Å; A365-R369 WeakPolarHBondContact O-CB 3.33Å; A365-R369 PolarHBondContact O-N 2.78Å; A366-R369 PolarHBondContact O-N 3.12Å; I367-R369 VanDerWaalsContact C-N 3.3Å; I367-R369 PolarHBondContact O-N 2.8Å
370E98.3Very high91.5Very high95 Ų9578.4 Ų78.444%0.44438%0.378SS..Hα-helixtrans-93.3-26.8-169.2-65.7170.1-151.600112.9A366A366-E370 WeakPolarHBondContact O-CB 3.23Å; A366-E370 WeakPolarHBondContact O-CG 3.5Å; A366-E370 PolarHBondContact O-N 2.82Å
371Y96.8Very high90.3Very high65 Ų6580.6 Ų80.626%0.25538%0.381SS..  trans-133.562.3-177.9-60.5-86.1000111.3A156 N157 A160 I367 E373 M374 W375A156-Y371 HydrophobicContact CB-CD2 4.18Å; A156-Y371 HydrophobicContact CB-CE2 4.1Å; N157-Y371 WeakPolarHBondContact CA-OH 3.42Å; N157-Y371 HydrophobicContact CB-CE2 4.29Å; N157-Y371 WeakPolarHBondContact CB-OH 3.48Å; N157-Y371 PolarHBondContact ND2-OH 2.9Å; A160-Y371 HydrophobicContact CB-CD1 3.46Å; A160-Y371 VanDerWaalsContact CB-CD1 3.46Å; A160-Y371 HydrophobicContact CB-CD2 4.18Å; A160-Y371 HydrophobicContact CB-CE1 3.55Å; A160-Y371 HydrophobicContact CB-CE2 4.28Å; A160-Y371 HydrophobicContact CB-CG 3.82Å; I367-Y371 CarbonylContact O-C 3.28Å; I367-Y371 WeakPolarHBondContact O-CA 3.3Å; I367-Y371 PolarHBondContact O-N 2.87Å; Y371-E373 VanDerWaalsContact C-N 3.25Å; Y371-E373 PolarHBondContact O-N 3.2Å; Y371-M374 HydrophobicContact CG-CE 4.26Å; Y371-M374 PolarHBondContact O-N 3.49Å; Y371-M374 VanDerWaalsContact O-N 3.1Å; Y371-W375 PolarHBondContact O-N 3.41Å
372P93.8Very high88.5Confident79 Ų7977.7 Ų77.751%0.51336%0.363SS..Hα-helixtrans-60.1-31.4-173.724.2-35.1000113.5A376P372-A376 VanDerWaalsContact O-CB 3.27Å; P372-A376 WeakPolarHBondContact O-CB 3.34Å; P372-A376 PolarHBondContact O-N 3.27Å
373E91.5Very high85.8Confident151 Ų15171.6 Ų71.671%0.70633%0.334SS*.Hα-helixtrans-69.4-42.9175.7-66179.6-163.700112.5Y371 W375 A376 R377Y371-E373 VanDerWaalsContact C-N 3.25Å; Y371-E373 PolarHBondContact O-N 3.2Å; E373-W375 VanDerWaalsContact C-N 3.33Å; E373-A376 PolarHBondContact O-N 3.37Å; E373-R377 WeakPolarHBondContact O-CG 3.35Å; E373-R377 PolarHBondContact O-N 2.98Å
374M91.1Very high82.9Confident5 Ų575.8 Ų75.83%0.02535%0.349CS..Hα-helixtrans-63.6-44173.6178.5175.669.700110.4I159 A160 E163 I367 Y371 A376 R377 M378I159-M374 HydrophobicContact CG2-CE 4.09Å; I159-M374 HydrophobicContact CG2-SD 4.42Å; A160-M374 WeakPolarHBondContact CA-SD 3.23Å; A160-M374 HydrophobicContact CB-CE 3.83Å; A160-M374 HydrophobicContact CB-SD 3.88Å; E163-M374 HydrophobicContact CB-SD 3.77Å; E163-M374 HydrophobicContact CG-CG 4.27Å; E163-M374 HydrophobicContact CG-SD 4.03Å; I367-M374 HydrophobicContact CB-CE 4.38Å; I367-M374 HydrophobicContact CG1-CE 4.13Å; I367-M374 HydrophobicContact CG2-CE 3.5Å; Y371-M374 HydrophobicContact CG-CE 4.26Å; Y371-M374 PolarHBondContact O-N 3.49Å; Y371-M374 VanDerWaalsContact O-N 3.1Å; M374-A376 VanDerWaalsContact C-N 3.33Å; M374-A376 PolarHBondContact O-N 3.25Å; M374-R377 PolarHBondContact O-N 2.99Å; M374-M378 HydrophobicContact CE-CE 4.09Å; M374-M378 HydrophobicContact CG-CE 3.67Å; M374-M378 HydrophobicContact CG-SD 4.24Å; M374-M378 WeakPolarHBondContact O-CG 3.37Å; M374-M378 PolarHBondContact O-N 3.06Å; M374-M378 HydrophobicContact SD-CE 3.69Å
375W90.6Very high80.5Confident38 Ų3872.4 Ų72.414%0.14434%0.342CS..Hα-helixtrans-59.3-44.7175.6-179.4-106.6000111.8R364 I367 Q368 Y371 E373 R377 M378 Q379R364-W375 HydrophobicContact CB-CH2 4.05Å; R364-W375 HydrophobicContact CB-CZ3 4.09Å; R364-W375 HydrophobicContact CG-CH2 4.32Å; R364-W375 HydrophobicContact CG-CZ3 4.22Å; I367-W375 HydrophobicContact CG2-CB 4.28Å; I367-W375 HydrophobicContact CG2-CE3 3.89Å; Q368-W375 HydrophobicContact CB-CB 4.49Å; Q368-W375 HydrophobicContact CB-CD2 3.81Å; Q368-W375 HydrophobicContact CB-CE3 4.39Å; Q368-W375 HydrophobicContact CB-CG 3.85Å; Q368-W375 HydrophobicContact CB-CZ2 4.46Å; Q368-W375 HydrophobicContact CG-CD2 4.25Å; Q368-W375 HydrophobicContact CG-CG 4Å; Y371-W375 PolarHBondContact O-N 3.41Å; E373-W375 VanDerWaalsContact C-N 3.33Å; W375-R377 PolarHBondContact O-N 2.96Å; W375-M378 WeakPolarHBondContact O-CB 3.36Å; W375-M378 PolarHBondContact O-N 3.22Å; W375-M378 VanDerWaalsContact O-N 3.16Å; W375-Q379 HydrophobicContact CD2-CG 4.26Å; W375-Q379 HydrophobicContact CG-CG 4.4Å; W375-Q379 VanDerWaalsContact CH2-NE2 3.29Å; W375-Q379 HydrophobicContact CZ2-CG 4.27Å; W375-Q379 WeakPolarHBondContact O-CG 3.36Å; W375-Q379 PolarHBondContact O-N 3.4Å
376A84.1Confident78.3Confident55 Ų5579 Ų7946%0.45536%0.356SS..Hα-helixtrans-59.8-44.6175.900000111.6P372 E373 M374 M378 Q379 E380P372-A376 VanDerWaalsContact O-CB 3.27Å; P372-A376 WeakPolarHBondContact O-CB 3.34Å; P372-A376 PolarHBondContact O-N 3.27Å; E373-A376 PolarHBondContact O-N 3.37Å; M374-A376 VanDerWaalsContact C-N 3.33Å; M374-A376 PolarHBondContact O-N 3.25Å; A376-M378 VanDerWaalsContact C-N 3.34Å; A376-M378 PolarHBondContact O-N 3.11Å; A376-Q379 PolarHBondContact O-N 2.8Å; A376-E380 WeakPolarHBondContact O-CB 3.46Å; A376-E380 PolarHBondContact O-N 3.2Å
377R81.1Confident76.4Confident92 Ų9280.5 Ų80.535%0.34737%0.365SS..Hα-helixtrans-59.6-43172.8-69.7-169.2-57.6-86.28.3112.1E163 E373 M374 W375 E380 R381E163-R377 IonicContact OE1-NE 3.19Å; E163-R377 IonicContact OE2-CZ 3.86Å; E163-R377 IonicContact OE2-NE 3.57Å; E163-R377 IonicContact OE2-NH2 3.96Å; E163-R377 PolarHBondContact OE2-NH2 3.31Å; E373-R377 WeakPolarHBondContact O-CG 3.35Å; E373-R377 PolarHBondContact O-N 2.98Å; M374-R377 PolarHBondContact O-N 2.99Å; W375-R377 PolarHBondContact O-N 2.96Å; R377-E380 PolarHBondContact O-N 2.85Å; R377-R381 VanDerWaalsContact O-CG 3.31Å; R377-R381 WeakPolarHBondContact O-CG 3.5Å; R377-R381 PolarHBondContact O-N 3.47Å
378M82.6Confident74.7Confident31 Ų3183.9 Ų83.915%0.15338%0.38CS..Hα-helixtrans-64-40.7176.9-70.8174.517600111.7I159 E163 I367 M374 W375 A376 R381 R382I159-M378 HydrophobicContact CG2-CE 4.37Å; E163-M378 HydrophobicContact CG-CE 4.29Å; I367-M378 HydrophobicContact CG2-SD 4.37Å; M374-M378 HydrophobicContact CE-CE 4.09Å; M374-M378 HydrophobicContact CG-CE 3.67Å; M374-M378 HydrophobicContact CG-SD 4.24Å; M374-M378 WeakPolarHBondContact O-CG 3.37Å; M374-M378 PolarHBondContact O-N 3.06Å; M374-M378 HydrophobicContact SD-CE 3.69Å; W375-M378 WeakPolarHBondContact O-CB 3.36Å; W375-M378 PolarHBondContact O-N 3.22Å; W375-M378 VanDerWaalsContact O-N 3.16Å; A376-M378 VanDerWaalsContact C-N 3.34Å; A376-M378 PolarHBondContact O-N 3.11Å; M378-R381 CarbonylContact O-C 3.57Å; M378-R381 PolarHBondContact O-N 2.94Å; M378-R382 WeakPolarHBondContact O-CG 3.46Å; M378-R382 PolarHBondContact O-N 3.37Å
379Q80.2Confident73.1Confident64 Ų6486.5 Ų86.530%0.29939%0.39SS..Hα-helixtrans-69-37.8175.5-64.1-34.6-68.600111.7W375 A376 R381 R382W375-Q379 HydrophobicContact CD2-CG 4.26Å; W375-Q379 HydrophobicContact CG-CG 4.4Å; W375-Q379 VanDerWaalsContact CH2-NE2 3.29Å; W375-Q379 HydrophobicContact CZ2-CG 4.27Å; W375-Q379 WeakPolarHBondContact O-CG 3.36Å; W375-Q379 PolarHBondContact O-N 3.4Å; A376-Q379 PolarHBondContact O-N 2.8Å; Q379-R381 VanDerWaalsContact C-N 3.27Å; Q379-R381 PolarHBondContact O-N 3.42Å; Q379-R382 WeakPolarHBondContact O-CB 3.47Å; Q379-R382 PolarHBondContact O-N 2.78Å
380E67.9Low71.8Confident98 Ų9882.4 Ų82.446%0.45838%0.378SS..Hα-helixtrans-60.7-40.1172.3-172.3178.9-167.700110.1A376 R377 R382 T392A376-E380 WeakPolarHBondContact O-CB 3.46Å; A376-E380 PolarHBondContact O-N 3.2Å; R377-E380 PolarHBondContact O-N 2.85Å; E380-R382 PolarHBondContact O-N 3.34Å; E380-R382 VanDerWaalsContact O-N 3.12Å; E380-T392 WeakPolarHBondContact O-CB 3.28Å; E380-T392 WeakPolarHBondContact O-CG2 3.08Å
381R68.5Low70.2Confident107 Ų10778.6 Ų78.640%0.40436%0.362SS..THydrogen-bonded Turntrans-72.77.6172.3-65.7176.8-162.4154.814.6114.3E163 M167 R377 M378 Q379 F388E163-R381 IonicContact OE1-CZ 3.86Å; E163-R381 IonicContact OE1-NH1 2.87Å; E163-R381 PolarHBondContact OE1-NH1 2.98Å; E163-R381 IonicContact OE1-NH2 3.25Å; E163-R381 PolarHBondContact OE1-NH2 3.22Å; M167-R381 VanDerWaalsContact SD-CZ 3.52Å; M167-R381 PolarHBondContact SD-NH2 3.01Å; R377-R381 VanDerWaalsContact O-CG 3.31Å; R377-R381 WeakPolarHBondContact O-CG 3.5Å; R377-R381 PolarHBondContact O-N 3.47Å; M378-R381 CarbonylContact O-C 3.57Å; M378-R381 PolarHBondContact O-N 2.94Å; Q379-R381 VanDerWaalsContact C-N 3.27Å; Q379-R381 PolarHBondContact O-N 3.42Å; R381-F388 WeakPolarHBondContact O-CE1 3.48Å
382R57.4Low68.6Low108 Ų10876.3 Ų76.341%0.40836%0.355SS..THydrogen-bonded Turntrans-106.211.7-179.9-80.6174.5176-173.4-1.2115.5M378 Q379 E380 F388 A402M378-R382 WeakPolarHBondContact O-CG 3.46Å; M378-R382 PolarHBondContact O-N 3.37Å; Q379-R382 WeakPolarHBondContact O-CB 3.47Å; Q379-R382 PolarHBondContact O-N 2.78Å; E380-R382 PolarHBondContact O-N 3.34Å; E380-R382 VanDerWaalsContact O-N 3.12Å; R382-F388 VanDerWaalsContact C-CE1 3.41Å; R382-F388 VanDerWaalsContact CA-CZ 3.49Å; R382-F388 VanDerWaalsContact O-CZ 3.23Å; R382-F388 WeakPolarHBondContact O-CZ 3.34Å; R382-A402 WeakPolarHBondContact O-CB 3.42Å
383F40.9Very low67.4Low32 Ų3274.3 Ų74.314%0.1435%0.346CS..  trans-101.6125.3176.9-160.9-55.3000121.8F388 A391 T392 A395 A402F383-F388 VanDerWaalsContact CA-CZ 3.42Å; F383-F388 CarbonylContact O-C 3.56Å; F383-F388 WeakPolarHBondContact O-CA 3.42Å; F383-F388 VanDerWaalsContact O-CB 3.25Å; F383-F388 WeakPolarHBondContact O-CB 3.46Å; F383-F388 WeakPolarHBondContact O-CD1 3.43Å; F383-F388 WeakPolarHBondContact O-CD2 3.35Å; F383-F388 WeakPolarHBondContact O-CE1 3.15Å; F383-F388 WeakPolarHBondContact O-CE2 3.48Å; F383-F388 WeakPolarHBondContact O-CG 3.36Å; F383-F388 WeakPolarHBondContact O-CZ 3.47Å; F383-A391 HydrophobicContact CD1-CB 3.12Å; F383-A391 HydrophobicContact CD2-CB 4.48Å; F383-A391 WeakPolarHBondContact CD2-O 3.19Å; F383-A391 VanDerWaalsContact CE1-C 3.47Å; F383-A391 VanDerWaalsContact CE1-CA 3.45Å; F383-A391 HydrophobicContact CE1-CB 2.74Å; F383-A391 HydrophobicContact CE2-CB 4.14Å; F383-A391 WeakPolarHBondContact CE2-O 3.1Å; F383-A391 HydrophobicContact CG-CB 4.11Å; F383-A391 WeakPolarHBondContact CG-O 3.42Å; F383-A391 HydrophobicContact CZ-CB 3.31Å; F383-A391 WeakPolarHBondContact CZ-O 3.47Å; F383-T392 HydrophobicContact CB-CG2 3.22Å; F383-T392 VanDerWaalsContact CG-CA 3.46Å; F383-T392 HydrophobicContact CG-CG2 4.34Å; F383-T392 VanDerWaalsContact O-CG2 3.28Å; F383-T392 WeakPolarHBondContact O-CG2 2.94Å; F383-A395 HydrophobicContact CD2-CB 3.34Å; F383-A395 HydrophobicContact CE2-CB 3.53Å; F383-A402 HydrophobicContact CB-CB 3.05Å; F383-A402 HydrophobicContact CD1-CB 4.03Å; F383-A402 HydrophobicContact CD2-CB 2.89Å; F383-A402 VanDerWaalsContact CE2-CA 3.41Å; F383-A402 HydrophobicContact CE2-CB 3.69Å; F383-A402 HydrophobicContact CG-CB 3.05Å; F383-A402 HydrophobicContact CZ-CB 4.43Å
384Y37.2Very low66.3Low106 Ų10670.3 Ų70.342%0.41633%0.334SS..  trans-98.8132.1171.7169.1-93.5000117.1F388 F403 N404Y384-F388 VanDerWaalsContact CA-CE2 3.48Å; Y384-F388 VanDerWaalsContact CB-CE2 3.48Å; Y384-F388 HydrophobicContact CD2-CD2 4.11Å; Y384-F388 HydrophobicContact CG-CD2 4.15Å; Y384-F403 VanDerWaalsContact CB-O 3.3Å; Y384-F403 WeakPolarHBondContact CB-O 3.35Å; Y384-F403 WeakPolarHBondContact CD1-O 3.47Å; Y384-F403 VanDerWaalsContact O-O 3.07Å; Y384-N404 HydrophobicContact CD1-CB 4.46Å; Y384-N404 WeakPolarHBondContact CD1-O 3.38Å; Y384-N404 HydrophobicContact CD2-CB 4.45Å; Y384-N404 VanDerWaalsContact CG-CA 3.47Å; Y384-N404 HydrophobicContact CG-CB 3.88Å
385S44Very low65.4Low36 Ų3670.5 Ų70.525%0.25234%0.336SS..SBendtrans-125.2177.9154.6141.10000106.1S387 F388S385-S387 VanDerWaalsContact C-C 3.49Å; S385-S387 WeakPolarHBondContact CB-O 3.34Å; S385-S387 CarbonylContact O-C 3.53Å; S385-S387 WeakPolarHBondContact O-CA 3.33Å; S385-S387 PolarHBondContact O-N 3.24Å; S385-S387 PolarHBondContact OG-N 2.94Å; S385-S387 PolarHBondContact OG-O 3.21Å; S385-S387 VanDerWaalsContact OG-O 3.12Å; S385-F388 VanDerWaalsContact N-CA 3.33Å; S385-F388 PolarHBondContact O-N 3.04Å
386R50.5Low64.4Low192 Ų19271.6 Ų71.673%0.72535%0.35SS*.SBendtrans-46.9-24.8164.7-82.7-174.3170.3177.3-0.3111.7
387S57.9Low63.7Low48 Ų4874.2 Ų74.234%0.33635%0.353SS..SBendtrans-121.3110.5148.8170.10000110.2S385 K389 H390S385-S387 VanDerWaalsContact C-C 3.49Å; S385-S387 WeakPolarHBondContact CB-O 3.34Å; S385-S387 CarbonylContact O-C 3.53Å; S385-S387 WeakPolarHBondContact O-CA 3.33Å; S385-S387 PolarHBondContact O-N 3.24Å; S385-S387 PolarHBondContact OG-N 2.94Å; S385-S387 PolarHBondContact OG-O 3.21Å; S385-S387 VanDerWaalsContact OG-O 3.12Å; S387-K389 VanDerWaalsContact C-N 3.25Å; S387-K389 PolarHBondContact O-N 3.28Å; S387-H390 PolarHBondContact O-N 3.26Å
388F60.2Low63.3Low74 Ų7475.8 Ų75.833%0.32537%0.367SS..Hα-helixtrans-39.8-53.8177-161.1-86.3000112.7R381 R382 F383 Y384 S385 H390 A391 T392 N404R381-F388 WeakPolarHBondContact O-CE1 3.48Å; R382-F388 VanDerWaalsContact C-CE1 3.41Å; R382-F388 VanDerWaalsContact CA-CZ 3.49Å; R382-F388 VanDerWaalsContact O-CZ 3.23Å; R382-F388 WeakPolarHBondContact O-CZ 3.34Å; F383-F388 VanDerWaalsContact CA-CZ 3.42Å; F383-F388 CarbonylContact O-C 3.56Å; F383-F388 WeakPolarHBondContact O-CA 3.42Å; F383-F388 VanDerWaalsContact O-CB 3.25Å; F383-F388 WeakPolarHBondContact O-CB 3.46Å; F383-F388 WeakPolarHBondContact O-CD1 3.43Å; F383-F388 WeakPolarHBondContact O-CD2 3.35Å; F383-F388 WeakPolarHBondContact O-CE1 3.15Å; F383-F388 WeakPolarHBondContact O-CE2 3.48Å; F383-F388 WeakPolarHBondContact O-CG 3.36Å; F383-F388 WeakPolarHBondContact O-CZ 3.47Å; Y384-F388 VanDerWaalsContact CA-CE2 3.48Å; Y384-F388 VanDerWaalsContact CB-CE2 3.48Å; Y384-F388 HydrophobicContact CD2-CD2 4.11Å; Y384-F388 HydrophobicContact CG-CD2 4.15Å; S385-F388 VanDerWaalsContact N-CA 3.33Å; S385-F388 PolarHBondContact O-N 3.04Å; F388-H390 PolarHBondContact O-N 3.04Å; F388-A391 PolarHBondContact O-N 3.45Å; F388-T392 HydrophobicContact CD1-CG2 3.92Å; F388-T392 HydrophobicContact CE1-CG2 4.03Å; F388-T392 PolarHBondContact O-N 2.79Å; F388-N404 HydrophobicContact CE2-CB 3.97Å
389K62.8Low62.7Low160 Ų16081.9 Ų81.970%0.69640%0.4SS*.Hα-helixtrans-43.5-39.2173.5-177.9179.3179.4177.30116.2S387 A391 T392 A393S387-K389 VanDerWaalsContact C-N 3.25Å; S387-K389 PolarHBondContact O-N 3.28Å; K389-A391 VanDerWaalsContact C-N 3.31Å; K389-A391 PolarHBondContact O-N 3.32Å; K389-T392 PolarHBondContact O-OG1 2.61Å; K389-A393 PolarHBondContact O-N 3.18Å
390H71.4Confident62.6Low95 Ų9582.4 Ų82.444%0.4441%0.411SS..Hα-helixtrans-67.9-39.9-175.5-77.9141.5000112.3S387 F388 A393 S394S387-H390 PolarHBondContact O-N 3.26Å; F388-H390 PolarHBondContact O-N 3.04Å; H390-A393 WeakPolarHBondContact O-CB 3.48Å; H390-A393 PolarHBondContact O-N 3.35Å; H390-S394 PolarHBondContact O-N 3.3Å; H390-S394 VanDerWaalsContact O-N 3.11Å; H390-S394 PolarHBondContact O-OG 3.04Å
391A64.5Low63.1Low14 Ų1484.1 Ų84.112%0.11642%0.419CS..Hα-helixtrans-95.7-16.3-167.500000109.4F383 F388 K389 A393 S394 A395F383-A391 HydrophobicContact CD1-CB 3.12Å; F383-A391 HydrophobicContact CD2-CB 4.48Å; F383-A391 WeakPolarHBondContact CD2-O 3.19Å; F383-A391 VanDerWaalsContact CE1-C 3.47Å; F383-A391 VanDerWaalsContact CE1-CA 3.45Å; F383-A391 HydrophobicContact CE1-CB 2.74Å; F383-A391 HydrophobicContact CE2-CB 4.14Å; F383-A391 WeakPolarHBondContact CE2-O 3.1Å; F383-A391 HydrophobicContact CG-CB 4.11Å; F383-A391 WeakPolarHBondContact CG-O 3.42Å; F383-A391 HydrophobicContact CZ-CB 3.31Å; F383-A391 WeakPolarHBondContact CZ-O 3.47Å; F388-A391 PolarHBondContact O-N 3.45Å; K389-A391 VanDerWaalsContact C-N 3.31Å; K389-A391 PolarHBondContact O-N 3.32Å; A391-A393 VanDerWaalsContact C-N 3.3Å; A391-A393 PolarHBondContact O-N 3.16Å; A391-S394 PolarHBondContact O-N 3.01Å; A391-A395 PolarHBondContact O-N 2.8Å
392T61.9Low63.4Low17 Ų1779.8 Ų79.810%0.10441%0.406CS..Hα-helixtrans-56.6-49160.2630000109.3E380 F383 F388 K389 S394 A395 S396E380-T392 WeakPolarHBondContact O-CB 3.28Å; E380-T392 WeakPolarHBondContact O-CG2 3.08Å; F383-T392 HydrophobicContact CB-CG2 3.22Å; F383-T392 VanDerWaalsContact CG-CA 3.46Å; F383-T392 HydrophobicContact CG-CG2 4.34Å; F383-T392 VanDerWaalsContact O-CG2 3.28Å; F383-T392 WeakPolarHBondContact O-CG2 2.94Å; F388-T392 HydrophobicContact CD1-CG2 3.92Å; F388-T392 HydrophobicContact CE1-CG2 4.03Å; F388-T392 PolarHBondContact O-N 2.79Å; K389-T392 PolarHBondContact O-OG1 2.61Å; T392-S394 VanDerWaalsContact C-N 3.32Å; T392-S394 PolarHBondContact O-N 2.92Å; T392-A395 PolarHBondContact O-N 2.97Å; T392-S396 WeakPolarHBondContact O-CB 3.32Å; T392-S396 PolarHBondContact O-N 3.14Å; T392-S396 PolarHBondContact O-OG 3Å
393A68.6Low64.3Low38 Ų3876.6 Ų76.631%0.31440%0.395SS..Hα-helixtrans-62.9-39.7178.700000111.4K389 H390 A391 S396 Q397K389-A393 PolarHBondContact O-N 3.18Å; H390-A393 WeakPolarHBondContact O-CB 3.48Å; H390-A393 PolarHBondContact O-N 3.35Å; A391-A393 VanDerWaalsContact C-N 3.3Å; A391-A393 PolarHBondContact O-N 3.16Å; A393-S396 PolarHBondContact O-OG 3.17Å; A393-Q397 VanDerWaalsContact O-CG 3.26Å; A393-Q397 WeakPolarHBondContact O-CG 3.37Å; A393-Q397 PolarHBondContact O-N 3.13Å
394S69.8Low65.5Low66 Ų6678.8 Ų78.846%0.46241%0.408SS..Hα-helixtrans-66.2-44.2174.8-590000112.6H390 A391 T392 Q397H390-S394 PolarHBondContact O-N 3.3Å; H390-S394 VanDerWaalsContact O-N 3.11Å; H390-S394 PolarHBondContact O-OG 3.04Å; A391-S394 PolarHBondContact O-N 3.01Å; T392-S394 VanDerWaalsContact C-N 3.32Å; T392-S394 PolarHBondContact O-N 2.92Å; S394-Q397 PolarHBondContact O-N 3.26Å
395A72.2Confident67.5Low9 Ų980.5 Ų80.57%0.07441%0.414CS..Hα-helixtrans-65.1-39.7177.400000113F383 A391 T392 Q397 I398 N399 S400F383-A395 HydrophobicContact CD2-CB 3.34Å; F383-A395 HydrophobicContact CE2-CB 3.53Å; A391-A395 PolarHBondContact O-N 2.8Å; T392-A395 PolarHBondContact O-N 2.97Å; A395-Q397 VanDerWaalsContact C-N 3.31Å; A395-Q397 PolarHBondContact O-N 3.28Å; A395-I398 CarbonylContact O-C 3.52Å; A395-I398 PolarHBondContact O-N 3.11Å; A395-N399 WeakPolarHBondContact O-CA 3.06Å; A395-N399 PolarHBondContact O-N 3.06Å; A395-S400 WeakPolarHBondContact CB-O 3.39Å; A395-S400 PolarHBondContact O-N 3.16Å
396S68.2Low69.3Low62 Ų6281.6 Ų81.643%0.43442%0.417SS..Hα-helixtrans-65.2-36.8-179.965.10000111.7T392 A393 I398 N399T392-S396 WeakPolarHBondContact O-CB 3.32Å; T392-S396 PolarHBondContact O-N 3.14Å; T392-S396 PolarHBondContact O-OG 3Å; A393-S396 PolarHBondContact O-OG 3.17Å; S396-I398 PolarHBondContact O-N 2.78Å; S396-N399 PolarHBondContact O-N 3.05Å
397Q69.4Low71.1Confident109 Ų10974.7 Ų74.751%0.50940%0.401SS..Hα-helixtrans-59.1-26.7175.2-75.5174.57.400113.8A393 S394 A395A393-Q397 VanDerWaalsContact O-CG 3.26Å; A393-Q397 WeakPolarHBondContact O-CG 3.37Å; A393-Q397 PolarHBondContact O-N 3.13Å; S394-Q397 PolarHBondContact O-N 3.26Å; A395-Q397 VanDerWaalsContact C-N 3.31Å; A395-Q397 PolarHBondContact O-N 3.28Å
398I72.8Confident72.4Confident126 Ų12675.9 Ų75.965%0.64640%0.401SS*.THydrogen-bonded Turntrans-121.610.6-176.762.5167.3000114A395 S396 S400A395-I398 CarbonylContact O-C 3.52Å; A395-I398 PolarHBondContact O-N 3.11Å; S396-I398 PolarHBondContact O-N 2.78Å; I398-S400 PolarHBondContact O-N 3.18Å
399N70.7Confident73.6Confident159 Ų15974 Ų7485%0.8540%0.397SS*.THydrogen-bonded Turntrans51.249.4-176.3-168.341.2000113.3A395 S396A395-N399 WeakPolarHBondContact O-CA 3.06Å; A395-N399 PolarHBondContact O-N 3.06Å; S396-N399 PolarHBondContact O-N 3.05Å
400S78Confident74.9Confident75 Ų7566.5 Ų66.552%0.52436%0.364SS..  trans-115174.3-177.1-170.20000112.9A395 I398A395-S400 WeakPolarHBondContact CB-O 3.39Å; A395-S400 PolarHBondContact O-N 3.16Å; I398-S400 PolarHBondContact O-N 3.18Å
401Q77.4Confident75.8Confident133 Ų13369.9 Ų69.962%0.62138%0.38SS*.  trans-89.6151177.7-179.5171.92.900112F403Q401-F403 HydrophobicContact CB-CE2 4.45Å; Q401-F403 HydrophobicContact CB-CZ 4.48Å; Q401-F403 HydrophobicContact CG-CE1 4.41Å; Q401-F403 HydrophobicContact CG-CE2 4.21Å; Q401-F403 HydrophobicContact CG-CZ 4Å
402A76.1Confident76.9Confident16 Ų1672.3 Ų72.313%0.13240%0.4CS..  trans-103.9152.6172.500000116.5R382 F383R382-A402 WeakPolarHBondContact O-CB 3.42Å; F383-A402 HydrophobicContact CB-CB 3.05Å; F383-A402 HydrophobicContact CD1-CB 4.03Å; F383-A402 HydrophobicContact CD2-CB 2.89Å; F383-A402 VanDerWaalsContact CE2-CA 3.41Å; F383-A402 HydrophobicContact CE2-CB 3.69Å; F383-A402 HydrophobicContact CG-CB 3.05Å; F383-A402 HydrophobicContact CZ-CB 4.43Å
403F75.9Confident78.2Confident41 Ų4172.8 Ų72.818%0.1840%0.404CS..  trans-134.3134.1176.4-62-83.2000112.5Y384 Q401 E408 C409 A412Y384-F403 VanDerWaalsContact CB-O 3.3Å; Y384-F403 WeakPolarHBondContact CB-O 3.35Å; Y384-F403 WeakPolarHBondContact CD1-O 3.47Å; Y384-F403 VanDerWaalsContact O-O 3.07Å; Q401-F403 HydrophobicContact CB-CE2 4.45Å; Q401-F403 HydrophobicContact CB-CZ 4.48Å; Q401-F403 HydrophobicContact CG-CE1 4.41Å; Q401-F403 HydrophobicContact CG-CE2 4.21Å; Q401-F403 HydrophobicContact CG-CZ 4Å; F403-E408 HydrophobicContact CD1-CB 4.09Å; F403-C409 HydrophobicContact CB-CB 3.55Å; F403-C409 HydrophobicContact CD1-CB 4.44Å; F403-C409 HydrophobicContact CD2-CB 3.96Å; F403-C409 HydrophobicContact CG-CB 3.73Å; F403-A412 HydrophobicContact CE1-CB 3.64Å; F403-A412 HydrophobicContact CE2-CB 4.41Å; F403-A412 HydrophobicContact CZ-CB 3.47Å; F403-A412 VanDerWaalsContact CZ-CB 3.47Å
404N66.6Low79.3Confident79 Ų7977.6 Ų77.642%0.42243%0.425SS..SBendtrans-100.1-5179.374.6-1.2000118.2Y384 F388Y384-N404 HydrophobicContact CD1-CB 4.46Å; Y384-N404 WeakPolarHBondContact CD1-O 3.38Å; Y384-N404 HydrophobicContact CD2-CB 4.45Å; Y384-N404 VanDerWaalsContact CG-CA 3.47Å; Y384-N404 HydrophobicContact CG-CB 3.88Å; F388-N404 HydrophobicContact CE2-CB 3.97Å
405R77.7Confident80.4Confident142 Ų14278.2 Ų78.254%0.53642%0.417SS..SBendtrans-126.4132.5171.2-72.8154.2171.2-171.71.3107.3A407 E408 C409R405-A407 PolarHBondContact O-N 3.27Å; R405-E408 HydrophobicContact CB-CB 4.32Å; R405-E408 HydrophobicContact CB-CG 4.02Å; R405-E408 WeakPolarHBondContact CD-OE1 3.46Å; R405-E408 IonicContact CZ-OE1 3.79Å; R405-E408 IonicContact NE-OE1 3.48Å; R405-E408 IonicContact NH1-OE1 3.95Å; R405-E408 PolarHBondContact NH1-OE1 3.35Å; R405-E408 PolarHBondContact O-N 2.96Å; R405-C409 PolarHBondContact O-N 3.29Å; R405-C409 VanDerWaalsContact O-N 3.11Å
406L83.3Confident81.5Confident59 Ų5978.5 Ų78.531%0.30942%0.417SS..Hα-helixtrans-54.8-40.7176.2-179.360.9000110.8E408 C409 I410 E431 V432 L435L406-E408 PolarHBondContact O-N 3.49Å; L406-C409 WeakPolarHBondContact O-CB 3.48Å; L406-C409 PolarHBondContact O-N 2.9Å; L406-I410 HydrophobicContact CD1-CD1 3.9Å; L406-I410 HydrophobicContact CD1-CG1 4.21Å; L406-I410 HydrophobicContact CD2-CD1 4.42Å; L406-I410 HydrophobicContact CG-CD1 3.72Å; L406-I410 HydrophobicContact CG-CG1 4.42Å; L406-I410 VanDerWaalsContact O-CG1 3.23Å; L406-I410 WeakPolarHBondContact O-CG1 3.17Å; L406-I410 PolarHBondContact O-N 3.19Å; L406-E431 HydrophobicContact CD2-CB 3.89Å; L406-V432 HydrophobicContact CD1-CG2 4.21Å; L406-V432 HydrophobicContact CD2-CG2 4.09Å; L406-L435 HydrophobicContact CD2-CD1 4.19Å; L406-L435 HydrophobicContact CG-CD1 4.15Å
407A87.3Confident82.7Confident47 Ų4779.2 Ų79.239%0.38841%0.413SS..Hα-helixtrans-59.2-46.5177.900000113.1R405 I410 E411 L435R405-A407 PolarHBondContact O-N 3.27Å; A407-I410 PolarHBondContact O-N 3.1Å; A407-E411 WeakPolarHBondContact O-CB 3.49Å; A407-E411 PolarHBondContact O-N 3.14Å; A407-L435 HydrophobicContact CB-CD1 4.22Å; A407-L435 HydrophobicContact CB-CD2 4.37Å
408E85.1Confident83.9Confident73 Ų7374.6 Ų74.634%0.34139%0.391SS..Hα-helixtrans-67-38.8179.8-65.4173.2-16800111.5F403 R405 L406 E411 A412F403-E408 HydrophobicContact CD1-CB 4.09Å; R405-E408 HydrophobicContact CB-CB 4.32Å; R405-E408 HydrophobicContact CB-CG 4.02Å; R405-E408 WeakPolarHBondContact CD-OE1 3.46Å; R405-E408 IonicContact CZ-OE1 3.79Å; R405-E408 IonicContact NE-OE1 3.48Å; R405-E408 IonicContact NH1-OE1 3.95Å; R405-E408 PolarHBondContact NH1-OE1 3.35Å; R405-E408 PolarHBondContact O-N 2.96Å; L406-E408 PolarHBondContact O-N 3.49Å; E408-E411 PolarHBondContact O-N 2.75Å; E408-A412 WeakPolarHBondContact O-CB 3.47Å; E408-A412 PolarHBondContact O-N 3.28Å
409C85.9Confident84.9Confident35 Ų3573.9 Ų73.924%0.23639%0.393CS..Hα-helixtrans-60.1-46.8173.7-175.10000111.5F403 R405 L406 A412 S413F403-C409 HydrophobicContact CB-CB 3.55Å; F403-C409 HydrophobicContact CD1-CB 4.44Å; F403-C409 HydrophobicContact CD2-CB 3.96Å; F403-C409 HydrophobicContact CG-CB 3.73Å; R405-C409 PolarHBondContact O-N 3.29Å; R405-C409 VanDerWaalsContact O-N 3.11Å; L406-C409 WeakPolarHBondContact O-CB 3.48Å; L406-C409 PolarHBondContact O-N 2.9Å; C409-A412 PolarHBondContact O-N 3.01Å; C409-S413 WeakPolarHBondContact O-CB 3.33Å; C409-S413 PolarHBondContact O-N 3.39Å; C409-S413 PolarHBondContact O-OG 2.94Å
410I91Very high85.9Confident2 Ų268.6 Ų68.61%0.0137%0.366CS..Hα-helixtrans-66-45.3-179.9-68169000110.3L406 A407 A412 S413 L416 V432 L435 I436 Q440L406-I410 HydrophobicContact CD1-CD1 3.9Å; L406-I410 HydrophobicContact CD1-CG1 4.21Å; L406-I410 HydrophobicContact CD2-CD1 4.42Å; L406-I410 HydrophobicContact CG-CD1 3.72Å; L406-I410 HydrophobicContact CG-CG1 4.42Å; L406-I410 VanDerWaalsContact O-CG1 3.23Å; L406-I410 WeakPolarHBondContact O-CG1 3.17Å; L406-I410 PolarHBondContact O-N 3.19Å; A407-I410 PolarHBondContact O-N 3.1Å; I410-A412 VanDerWaalsContact C-N 3.27Å; I410-A412 PolarHBondContact O-N 3.44Å; I410-S413 PolarHBondContact O-N 2.74Å; I410-L416 HydrophobicContact CD1-CD2 4.5Å; I410-L416 HydrophobicContact CG1-CD1 4.37Å; I410-L416 HydrophobicContact CG1-CD2 4.05Å; I410-V432 HydrophobicContact CD1-CB 4.29Å; I410-V432 HydrophobicContact CD1-CG1 3.95Å; I410-V432 HydrophobicContact CD1-CG2 4.2Å; I410-L435 HydrophobicContact CD1-CB 3.69Å; I410-L435 HydrophobicContact CD1-CD1 3.94Å; I410-L435 HydrophobicContact CD1-CG 4.46Å; I410-L435 HydrophobicContact CG2-CB 4.47Å; I410-I436 HydrophobicContact CG2-CB 4.35Å; I410-I436 HydrophobicContact CG2-CG1 4.47Å; I410-Q440 PolarHBondContact O-NE2 3.08Å
411E89Confident86.6Confident166 Ų16669 Ų6978%0.77637%0.367SS*.Hα-helixtrans-60.6-37.3179.5-174.6175.2-169.700112.3A407 E408 S413A407-E411 WeakPolarHBondContact O-CB 3.49Å; A407-E411 PolarHBondContact O-N 3.14Å; E408-E411 PolarHBondContact O-N 2.75Å; E411-S413 VanDerWaalsContact C-N 3.31Å; E411-S413 PolarHBondContact O-N 2.75Å
412A87.8Confident87.4Confident65 Ų6566 Ų6654%0.53736%0.355SS..THydrogen-bonded Turntrans-80.6-4179.700000114.7F403 E408 C409 I410F403-A412 HydrophobicContact CE1-CB 3.64Å; F403-A412 HydrophobicContact CE2-CB 4.41Å; F403-A412 HydrophobicContact CZ-CB 3.47Å; F403-A412 VanDerWaalsContact CZ-CB 3.47Å; E408-A412 WeakPolarHBondContact O-CB 3.47Å; E408-A412 PolarHBondContact O-N 3.28Å; C409-A412 PolarHBondContact O-N 3.01Å; I410-A412 VanDerWaalsContact C-N 3.27Å; I410-A412 PolarHBondContact O-N 3.44Å
413S89.6Confident88.2Confident27 Ų2770.4 Ų70.419%0.18938%0.377CS..  trans-110.7126.9-170.1-63.40000112.7C409 I410 E411 Q440C409-S413 WeakPolarHBondContact O-CB 3.33Å; C409-S413 PolarHBondContact O-N 3.39Å; C409-S413 PolarHBondContact O-OG 2.94Å; I410-S413 PolarHBondContact O-N 2.74Å; E411-S413 VanDerWaalsContact C-N 3.31Å; E411-S413 PolarHBondContact O-N 2.75Å; S413-Q440 PolarHBondContact O-NE2 2.78Å
414D91Very high89.1Confident138 Ų13871 Ų7174%0.73838%0.38SS*.SBendtrans-73.5-39.9165.7-63.7-61.7000111.3Q440 C441D414-Q440 WeakPolarHBondContact O-CA 3.42Å; D414-C441 PolarHBondContact O-N 2.94Å
415W93Very high90.5Very high80 Ų8067.4 Ų67.430%0.30336%0.361SS..EExtended strand (participates in β ladder)trans-121.5127.8-179.9-73.318.8000110.1F417 C441 F443 V497 L500 L501W415-F417 HydrophobicContact CB-CE2 4.19Å; W415-F417 HydrophobicContact CE3-CE2 4.05Å; W415-F417 HydrophobicContact CE3-CZ 4.11Å; W415-C441 WeakPolarHBondContact CA-O 3.4Å; W415-C441 HydrophobicContact CG-CB 4.09Å; W415-F443 HydrophobicContact CB-CD2 4.48Å; W415-F443 HydrophobicContact CB-CE2 3.97Å; W415-F443 AromaticContact CD2-CE2 3.6Å; W415-F443 HydrophobicContact CD2-CE2 3.6Å; W415-F443 AromaticContact CD2-CZ 3.81Å; W415-F443 HydrophobicContact CD2-CZ 3.81Å; W415-F443 AromaticContact CE3-CE2 3.62Å; W415-F443 HydrophobicContact CE3-CE2 3.62Å; W415-F443 AromaticContact CE3-CZ 3.6Å; W415-F443 HydrophobicContact CE3-CZ 3.6Å; W415-F443 AromaticContact CG-CE2 3.78Å; W415-F443 HydrophobicContact CG-CE2 3.78Å; W415-F443 HydrophobicContact CG-CZ 4.44Å; W415-F443 HydrophobicContact CH2-CZ 4.24Å; W415-F443 HydrophobicContact CZ2-CZ 4.41Å; W415-F443 HydrophobicContact CZ3-CE2 4.33Å; W415-F443 AromaticContact CZ3-CZ 3.83Å; W415-F443 HydrophobicContact CZ3-CZ 3.83Å; W415-V497 HydrophobicContact CH2-CG1 3.93Å; W415-V497 HydrophobicContact CZ2-CG1 4.33Å; W415-V497 HydrophobicContact CZ2-CG2 4.15Å; W415-L500 HydrophobicContact CH2-CB 4.05Å; W415-L500 HydrophobicContact CH2-CD1 4.2Å; W415-L500 HydrophobicContact CZ2-CB 4.45Å; W415-L500 HydrophobicContact CZ2-CD1 3.76Å; W415-L501 HydrophobicContact CH2-CD2 4.43Å; W415-L501 HydrophobicContact CH2-CG 4.3Å; W415-L501 HydrophobicContact CZ3-CD2 3.83Å; W415-L501 HydrophobicContact CZ3-CG 4.16Å
416L94.6Very high91.4Very high14 Ų1462.6 Ų62.67%0.07335%0.352CS..EExtended strand (participates in β ladder)trans-111.9121.6-179.5-177.669.1000110.8I410 L418 V432 I436 C441 V442 F443I410-L416 HydrophobicContact CD1-CD2 4.5Å; I410-L416 HydrophobicContact CG1-CD1 4.37Å; I410-L416 HydrophobicContact CG1-CD2 4.05Å; L416-L418 HydrophobicContact CD2-CD2 4.17Å; L416-L418 HydrophobicContact CG-CD2 4.17Å; L416-V432 HydrophobicContact CD2-CG1 3.4Å; L416-V432 VanDerWaalsContact CD2-CG1 3.4Å; L416-V432 HydrophobicContact CD2-CG2 4.32Å; L416-I436 HydrophobicContact CD2-CD1 4.43Å; L416-C441 PolarHBondContact N-O 3.32Å; L416-V442 HydrophobicContact CD2-CG2 4.38Å; L416-V442 CarbonylContact O-C 3.5Å; L416-V442 WeakPolarHBondContact O-CA 3.33Å; L416-F443 PolarHBondContact O-N 3.27Å
417F95.1Very high91.9Very high78 Ų7862.6 Ų62.634%0.34235%0.354SS..EExtended strand (participates in β ladder)trans-105.2121.5175.6-73.1-99.8000111.3W415 T419 F443 L465W415-F417 HydrophobicContact CB-CE2 4.19Å; W415-F417 HydrophobicContact CE3-CE2 4.05Å; W415-F417 HydrophobicContact CE3-CZ 4.11Å; F417-T419 HydrophobicContact CB-CG2 4.44Å; F417-T419 PolarHBondContact O-N 2.72Å; F417-F443 HydrophobicContact CD1-CB 3.39Å; F417-F443 HydrophobicContact CD1-CD2 4.4Å; F417-F443 AromaticContact CD1-CG 3.93Å; F417-F443 HydrophobicContact CD1-CG 3.93Å; F417-F443 HydrophobicContact CD2-CB 4.49Å; F417-F443 HydrophobicContact CD2-CD2 4.23Å; F417-F443 HydrophobicContact CE1-CB 3.49Å; F417-F443 VanDerWaalsContact CE1-CB 3.49Å; F417-F443 AromaticContact CE1-CD1 3.83Å; F417-F443 HydrophobicContact CE1-CD1 3.83Å; F417-F443 HydrophobicContact CE1-CD2 4.02Å; F417-F443 AromaticContact CE1-CG 3.51Å; F417-F443 HydrophobicContact CE1-CG 3.51Å; F417-F443 AromaticContact CE2-CD2 3.86Å; F417-F443 HydrophobicContact CE2-CD2 3.86Å; F417-F443 HydrophobicContact CE2-CE2 4.26Å; F417-F443 HydrophobicContact CE2-CG 4.22Å; F417-F443 HydrophobicContact CG-CB 3.92Å; F417-F443 HydrophobicContact CG-CD2 4.49Å; F417-F443 HydrophobicContact CG-CG 4.42Å; F417-F443 HydrophobicContact CZ-CB 4.12Å; F417-F443 AromaticContact CZ-CD1 3.99Å; F417-F443 HydrophobicContact CZ-CD1 3.99Å; F417-F443 AromaticContact CZ-CD2 3.74Å; F417-F443 HydrophobicContact CZ-CD2 3.74Å; F417-F443 HydrophobicContact CZ-CE1 4.36Å; F417-F443 HydrophobicContact CZ-CE2 4.13Å; F417-F443 AromaticContact CZ-CG 3.68Å; F417-F443 HydrophobicContact CZ-CG 3.68Å; F417-F443 HydrophobicContact CZ-CZ 4.43Å; F417-L465 HydrophobicContact CE1-CB 4.49Å; F417-L465 HydrophobicContact CE1-CD2 3.82Å; F417-L465 HydrophobicContact CZ-CD2 4.32Å
418L94.9Very high92.2Very high11 Ų1161.3 Ų61.36%0.05834%0.341CS..EExtended strand (participates in β ladder)trans-91.398.4170.4-54.4-165000109.9L416 V420 V428 V432 V442 F443 H444 F454L416-L418 HydrophobicContact CD2-CD2 4.17Å; L416-L418 HydrophobicContact CG-CD2 4.17Å; L418-V420 VanDerWaalsContact C-N 3.35Å; L418-V428 HydrophobicContact CD1-CG1 4.13Å; L418-V428 HydrophobicContact CD2-CG1 4.18Å; L418-V432 HydrophobicContact CD2-CG2 4.23Å; L418-V442 HydrophobicContact CG-CG2 4.4Å; L418-F443 PolarHBondContact N-O 2.88Å; L418-H444 HydrophobicContact CB-CB 4.45Å; L418-F454 HydrophobicContact CD1-CE1 3.7Å; L418-F454 HydrophobicContact CD1-CZ 4.24Å; L418-F454 HydrophobicContact CG-CE1 4.4Å; L418-F454 HydrophobicContact CG-CZ 4.48Å
419T92.4Very high92.8Very high111 Ų11158.3 Ų58.368%0.68133%0.327SS*.  trans-99.439.917951.60000112.3F417F417-T419 HydrophobicContact CB-CG2 4.44Å; F417-T419 PolarHBondContact O-N 2.72Å
420V91.2Very high93.2Very high48 Ų4863.4 Ų63.429%0.29135%0.347SS..SBendtrans-94.1163.3178.9-61.60000111.1L418 Q424 I425 V428L418-V420 VanDerWaalsContact C-N 3.35Å; V420-Q424 HydrophobicContact CB-CB 4.21Å; V420-Q424 HydrophobicContact CG2-CB 4.02Å; V420-I425 HydrophobicContact CG2-CG1 3.97Å; V420-V428 HydrophobicContact CG1-CG2 4.18Å; V420-V428 HydrophobicContact CG2-CB 4.48Å; V420-V428 HydrophobicContact CG2-CG2 4.19Å
421P93.1Very high93.4Very high85 Ų8567.9 Ų67.955%0.55237%0.368SS*.  trans-50.2144.5171.2-28.536.9000112.4D423 Q424 I425P421-D423 VanDerWaalsContact CB-OD1 3.28Å; P421-D423 WeakPolarHBondContact CB-OD1 3.46Å; P421-D423 PolarHBondContact O-N 3.36Å; P421-D423 VanDerWaalsContact O-N 3.1Å; P421-Q424 HydrophobicContact CB-CG 4.12Å; P421-Q424 HydrophobicContact CG-CG 4.42Å; P421-Q424 WeakPolarHBondContact O-CA 3.18Å; P421-Q424 WeakPolarHBondContact O-CB 3.49Å; P421-Q424 PolarHBondContact O-N 3.16Å; P421-I425 PolarHBondContact O-N 2.83Å
422D94Very high93.7Very high68 Ų6860 Ų6036%0.36433%0.331SS..THydrogen-bonded Turntrans-55.6-33.4-170.3-83.817.5000114.4Q424 S446D422-Q424 VanDerWaalsContact C-N 3.33Å; D422-S446 VanDerWaalsContact OD1-CB 3.24Å; D422-S446 WeakPolarHBondContact OD1-CB 3Å; D422-S446 PolarHBondContact OD1-OG 2.82Å; D422-S446 WeakPolarHBondContact OD2-CB 3.45Å; D422-S446 PolarHBondContact OD2-OG 3.24Å
423D94.1Very high94.1Very high110 Ų11059.3 Ų59.359%0.58832%0.317SS*.THydrogen-bonded Turntrans-75.6-21.3177.466.3-41.1000113P421P421-D423 VanDerWaalsContact CB-OD1 3.28Å; P421-D423 WeakPolarHBondContact CB-OD1 3.46Å; P421-D423 PolarHBondContact O-N 3.36Å; P421-D423 VanDerWaalsContact O-N 3.1Å
424Q95Very high94.3Very high54 Ų5461.9 Ų61.925%0.25233%0.333SS..THydrogen-bonded Turntrans-89.7-13.4179.3-59.2-58.3-58.700113.3V420 P421 D422 A426 V427 V428V420-Q424 HydrophobicContact CB-CB 4.21Å; V420-Q424 HydrophobicContact CG2-CB 4.02Å; P421-Q424 HydrophobicContact CB-CG 4.12Å; P421-Q424 HydrophobicContact CG-CG 4.42Å; P421-Q424 WeakPolarHBondContact O-CA 3.18Å; P421-Q424 WeakPolarHBondContact O-CB 3.49Å; P421-Q424 PolarHBondContact O-N 3.16Å; D422-Q424 VanDerWaalsContact C-N 3.33Å; Q424-A426 VanDerWaalsContact C-N 3.3Å; Q424-A426 PolarHBondContact O-N 3.44Å; Q424-V427 PolarHBondContact O-N 2.65Å; Q424-V427 VanDerWaalsContact O-N 3.08Å; Q424-V428 WeakPolarHBondContact O-CG2 3.21Å; Q424-V428 PolarHBondContact O-N 2.9Å
425I96.6Very high94.5Very high2 Ų258.9 Ų58.91%0.0132%0.316CS..Hα-helixtrans-54.5-47.6-177.6-63.2170.6000111V420 P421 V427 W429 H444 V453 F454V420-I425 HydrophobicContact CG2-CG1 3.97Å; P421-I425 PolarHBondContact O-N 2.83Å; I425-V427 VanDerWaalsContact C-N 3.35Å; I425-V427 PolarHBondContact O-N 3.36Å; I425-W429 WeakPolarHBondContact O-CB 3.42Å; I425-W429 PolarHBondContact O-N 2.94Å; I425-H444 HydrophobicContact CD1-CB 3.98Å; I425-H444 HydrophobicContact CG1-CB 4.45Å; I425-H444 HydrophobicContact CG2-CB 4.11Å; I425-V453 HydrophobicContact CG2-CB 4.49Å; I425-V453 HydrophobicContact CG2-CG1 3.7Å; I425-V453 HydrophobicContact CG2-CG2 3.97Å; I425-F454 HydrophobicContact CG2-CE1 4.05Å; I425-F454 HydrophobicContact CG2-CZ 4.47Å
426A95.7Very high94.5Very high42 Ų4255.1 Ų55.135%0.34730%0.302SS..Hα-helixtrans-67.7-34.6-179.500000112.8Q424 Q430 V453Q424-A426 VanDerWaalsContact C-N 3.3Å; Q424-A426 PolarHBondContact O-N 3.44Å; A426-Q430 WeakPolarHBondContact O-CG 3.32Å; A426-Q430 PolarHBondContact O-N 2.59Å; A426-V453 HydrophobicContact CB-CG2 3.97Å
427V93.9Very high94.4Very high58 Ų5857.8 Ų57.835%0.35232%0.322SS..Hα-helixtrans-68.4-50.9178.6177.40000110Q424 I425 W429 Q430Q424-V427 PolarHBondContact O-N 2.65Å; Q424-V427 VanDerWaalsContact O-N 3.08Å; I425-V427 VanDerWaalsContact C-N 3.35Å; I425-V427 PolarHBondContact O-N 3.36Å; V427-W429 VanDerWaalsContact C-N 3.26Å; V427-W429 PolarHBondContact O-N 3.47Å; V427-Q430 WeakPolarHBondContact O-CB 3.43Å; V427-Q430 PolarHBondContact O-N 2.83Å; V427-Q430 VanDerWaalsContact O-N 3.1Å
428V94.2Very high94.1Very high21 Ų2160.9 Ų60.913%0.12734%0.338CS..Hα-helixtrans-64.4-361781760000110.7L418 V420 Q424 Q430 E431 V432L418-V428 HydrophobicContact CD1-CG1 4.13Å; L418-V428 HydrophobicContact CD2-CG1 4.18Å; V420-V428 HydrophobicContact CG1-CG2 4.18Å; V420-V428 HydrophobicContact CG2-CB 4.48Å; V420-V428 HydrophobicContact CG2-CG2 4.19Å; Q424-V428 WeakPolarHBondContact O-CG2 3.21Å; Q424-V428 PolarHBondContact O-N 2.9Å; V428-Q430 VanDerWaalsContact C-N 3.26Å; V428-Q430 PolarHBondContact O-N 3.2Å; V428-E431 WeakPolarHBondContact O-CB 3.37Å; V428-E431 PolarHBondContact O-N 3.08Å; V428-V432 HydrophobicContact CG1-CG2 4.11Å; V428-V432 WeakPolarHBondContact O-CG2 3.36Å; V428-V432 PolarHBondContact O-N 2.68Å
429W96.3Very high93.6Very high9 Ų962.8 Ų62.83%0.03436%0.36CS..Hα-helixtrans-58-38.2174178.1-117.5000112.8I425 V427 E431 V432 E433 I436 V442 F454 V455 T456 I460I425-W429 WeakPolarHBondContact O-CB 3.42Å; I425-W429 PolarHBondContact O-N 2.94Å; V427-W429 VanDerWaalsContact C-N 3.26Å; V427-W429 PolarHBondContact O-N 3.47Å; W429-E431 PolarHBondContact O-N 3.01Å; W429-V432 HydrophobicContact CE3-CB 3.94Å; W429-V432 HydrophobicContact CE3-CG1 3.83Å; W429-V432 HydrophobicContact CZ3-CB 4.17Å; W429-V432 HydrophobicContact CZ3-CG1 3.57Å; W429-V432 PolarHBondContact O-N 2.91Å; W429-V432 VanDerWaalsContact O-N 3.14Å; W429-E433 HydrophobicContact CD2-CB 4.18Å; W429-E433 HydrophobicContact CH2-CB 4.23Å; W429-E433 HydrophobicContact CH2-CG 4.23Å; W429-E433 HydrophobicContact CZ2-CB 3.78Å; W429-E433 HydrophobicContact CZ2-CG 3.52Å; W429-E433 VanDerWaalsContact O-CB 3.3Å; W429-E433 WeakPolarHBondContact O-CB 3.33Å; W429-E433 PolarHBondContact O-N 2.82Å; W429-I436 HydrophobicContact CH2-CG2 3.95Å; W429-I436 HydrophobicContact CZ3-CD1 4.41Å; W429-I436 HydrophobicContact CZ3-CG2 4.37Å; W429-V442 HydrophobicContact CE3-CG2 4.41Å; W429-V442 HydrophobicContact CH2-CG1 4.27Å; W429-V442 HydrophobicContact CZ3-CB 4.36Å; W429-V442 HydrophobicContact CZ3-CG1 4.13Å; W429-V442 HydrophobicContact CZ3-CG2 3.99Å; W429-F454 HydrophobicContact CB-CD1 4.17Å; W429-F454 HydrophobicContact CB-CE1 4.46Å; W429-F454 HydrophobicContact CD2-CB 4.3Å; W429-F454 AromaticContact CD2-CD1 3.5Å; W429-F454 HydrophobicContact CD2-CD1 3.5Å; W429-F454 HydrophobicContact CD2-CE1 4.26Å; W429-F454 HydrophobicContact CD2-CG 4.33Å; W429-F454 AromaticContact CE3-CD1 3.59Å; W429-F454 HydrophobicContact CE3-CD1 3.59Å; W429-F454 HydrophobicContact CE3-CE1 4.01Å; W429-F454 HydrophobicContact CE3-CG 4.45Å; W429-F454 AromaticContact CG-CD1 3.75Å; W429-F454 HydrophobicContact CG-CD1 3.75Å; W429-F454 HydrophobicContact CG-CE1 4.46Å; W429-F454 HydrophobicContact CZ2-CB 4.09Å; W429-F454 HydrophobicContact CZ3-CD1 4.23Å; W429-V455 PolarHBondContact NE1-O 3.06Å; W429-T456 HydrophobicContact CZ2-CG2 3.93Å; W429-I460 HydrophobicContact CH2-CD1 3.41Å; W429-I460 VanDerWaalsContact CH2-CD1 3.41Å; W429-I460 HydrophobicContact CZ2-CD1 3.97Å; W429-I460 HydrophobicContact CZ3-CD1 4.44Å
430Q95.4Very high93.6Very high142 Ų14258.5 Ų58.566%0.66433%0.332SS*.Hα-helixtrans-62.8-27.7176.5-69.3168.29.600112.9A426 V427 V428 P434A426-Q430 WeakPolarHBondContact O-CG 3.32Å; A426-Q430 PolarHBondContact O-N 2.59Å; V427-Q430 WeakPolarHBondContact O-CB 3.43Å; V427-Q430 PolarHBondContact O-N 2.83Å; V427-Q430 VanDerWaalsContact O-N 3.1Å; V428-Q430 VanDerWaalsContact C-N 3.26Å; V428-Q430 PolarHBondContact O-N 3.2Å; Q430-P434 VanDerWaalsContact O-CD 3.27Å; Q430-P434 WeakPolarHBondContact O-CD 3.32Å
431E94.4Very high93.7Very high97 Ų9756.5 Ų56.545%0.45332%0.32SS..Hα-helixtrans-80.9-33.8174.8-59.5177.8-153.100112L406 V428 W429L406-E431 HydrophobicContact CD2-CB 3.89Å; V428-E431 WeakPolarHBondContact O-CB 3.37Å; V428-E431 PolarHBondContact O-N 3.08Å; W429-E431 PolarHBondContact O-N 3.01Å
432V95.1Very high93.8Very high0 Ų052.5 Ų52.50%029%0.294CS..Hα-helixtrans-80.2-40.4-178.2171.60000112.4L406 I410 L416 L418 V428 W429 P434 L435 I436L406-V432 HydrophobicContact CD1-CG2 4.21Å; L406-V432 HydrophobicContact CD2-CG2 4.09Å; I410-V432 HydrophobicContact CD1-CB 4.29Å; I410-V432 HydrophobicContact CD1-CG1 3.95Å; I410-V432 HydrophobicContact CD1-CG2 4.2Å; L416-V432 HydrophobicContact CD2-CG1 3.4Å; L416-V432 VanDerWaalsContact CD2-CG1 3.4Å; L416-V432 HydrophobicContact CD2-CG2 4.32Å; L418-V432 HydrophobicContact CD2-CG2 4.23Å; V428-V432 HydrophobicContact CG1-CG2 4.11Å; V428-V432 WeakPolarHBondContact O-CG2 3.36Å; V428-V432 PolarHBondContact O-N 2.68Å; W429-V432 HydrophobicContact CE3-CB 3.94Å; W429-V432 HydrophobicContact CE3-CG1 3.83Å; W429-V432 HydrophobicContact CZ3-CB 4.17Å; W429-V432 HydrophobicContact CZ3-CG1 3.57Å; W429-V432 PolarHBondContact O-N 2.91Å; W429-V432 VanDerWaalsContact O-N 3.14Å; V432-P434 VanDerWaalsContact C-CD 3.45Å; V432-P434 VanDerWaalsContact C-N 3.34Å; V432-L435 PolarHBondContact O-N 3.46Å; V432-I436 HydrophobicContact CG1-CB 4.29Å; V432-I436 PolarHBondContact O-N 3.1Å
433E95.9Very high93.9Very high50 Ų5049.2 Ų49.223%0.23428%0.277CS..THydrogen-bonded Turntrans-53.7-41.6-172.4-165.7-79.2163.700113.2W429 L435 T456 K458W429-E433 HydrophobicContact CD2-CB 4.18Å; W429-E433 HydrophobicContact CH2-CB 4.23Å; W429-E433 HydrophobicContact CH2-CG 4.23Å; W429-E433 HydrophobicContact CZ2-CB 3.78Å; W429-E433 HydrophobicContact CZ2-CG 3.52Å; W429-E433 VanDerWaalsContact O-CB 3.3Å; W429-E433 WeakPolarHBondContact O-CB 3.33Å; W429-E433 PolarHBondContact O-N 2.82Å; E433-L435 VanDerWaalsContact C-N 3.28Å; E433-L435 PolarHBondContact O-N 2.82Å; E433-T456 WeakPolarHBondContact OE1-CB 3.21Å; E433-T456 PolarHBondContact OE1-OG1 2.75Å; E433-K458 WeakPolarHBondContact O-CE 3.34Å; E433-K458 PolarHBondContact O-NZ 3.31Å
434P94.6Very high94.1Very high81 Ų8144 Ų4453%0.52625%0.249SC..THydrogen-bonded Turntrans-65.2-31.5177-23.335.5000113.3Q430 V432 K458Q430-P434 VanDerWaalsContact O-CD 3.27Å; Q430-P434 WeakPolarHBondContact O-CD 3.32Å; V432-P434 VanDerWaalsContact C-CD 3.45Å; V432-P434 VanDerWaalsContact C-N 3.34Å; P434-K458 PolarHBondContact O-NZ 3.18Å
435L94.6Very high94.1Very high75 Ų7543.2 Ų43.239%0.39325%0.249SC..THydrogen-bonded Turntrans-91.5-29.9-170.1-59.2174.8000113.4L406 A407 I410 V432 E433L406-L435 HydrophobicContact CD2-CD1 4.19Å; L406-L435 HydrophobicContact CG-CD1 4.15Å; A407-L435 HydrophobicContact CB-CD1 4.22Å; A407-L435 HydrophobicContact CB-CD2 4.37Å; I410-L435 HydrophobicContact CD1-CB 3.69Å; I410-L435 HydrophobicContact CD1-CD1 3.94Å; I410-L435 HydrophobicContact CD1-CG 4.46Å; I410-L435 HydrophobicContact CG2-CB 4.47Å; V432-L435 PolarHBondContact O-N 3.46Å; E433-L435 VanDerWaalsContact C-N 3.28Å; E433-L435 PolarHBondContact O-N 2.82Å
436I94.1Very high94.1Very high1 Ų143.3 Ų43.31%0.00525%0.249CC..PPolyproline II helixtrans-69.4137.3-178.8-159.7169.7000111.4I410 L416 W429 V432 Q440 V442 K458 I460I410-I436 HydrophobicContact CG2-CB 4.35Å; I410-I436 HydrophobicContact CG2-CG1 4.47Å; L416-I436 HydrophobicContact CD2-CD1 4.43Å; W429-I436 HydrophobicContact CH2-CG2 3.95Å; W429-I436 HydrophobicContact CZ3-CD1 4.41Å; W429-I436 HydrophobicContact CZ3-CG2 4.37Å; V432-I436 HydrophobicContact CG1-CB 4.29Å; V432-I436 PolarHBondContact O-N 3.1Å; I436-Q440 HydrophobicContact CD1-CB 4.24Å; I436-Q440 HydrophobicContact CG1-CB 3.92Å; I436-V442 HydrophobicContact CD1-CB 4Å; I436-K458 HydrophobicContact CG2-CD 4.3Å; I436-K458 WeakPolarHBondContact O-CD 3.32Å; I436-K458 PolarHBondContact O-NZ 2.97Å; I436-I460 HydrophobicContact CD1-CD1 4.29Å; I436-I460 HydrophobicContact CG2-CD1 4.19Å
437S92.1Very high94Very high71 Ų7141.4 Ų41.450%0.49723%0.234SC..PPolyproline II helixtrans-99.7156.5-177.4-64.90000112.1Q440 I460S437-Q440 PolarHBondContact O-N 3.17Å; S437-I460 WeakPolarHBondContact O-CG2 3.4Å
438E88.1Confident94Very high143 Ų14340 Ų4067%0.66823%0.229SC*.THydrogen-bonded Turntrans-60.6138.5173.8-65.3-173.6167.800110.8
439G85.6Confident94.1Very high50 Ų5044 Ų4452%0.51524%0.244SC..THydrogen-bonded Turntrans97.6-25-175.800000114.8
440Q91.5Very high94.1Very high22 Ų2245.1 Ų45.110%0.10325%0.253CS..  trans-71155.8173.8-61.8-178.1-75.800111.6I410 S413 D414 I436 S437I410-Q440 PolarHBondContact O-NE2 3.08Å; S413-Q440 PolarHBondContact O-NE2 2.78Å; D414-Q440 WeakPolarHBondContact O-CA 3.42Å; I436-Q440 HydrophobicContact CD1-CB 4.24Å; I436-Q440 HydrophobicContact CG1-CB 3.92Å; S437-Q440 PolarHBondContact O-N 3.17Å
441C92.9Very high94.1Very high6 Ų638.8 Ų38.84%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-112.3140.2175.6-60.40000110.3D414 W415 L416 F443 A461 F463D414-C441 PolarHBondContact O-N 2.94Å; W415-C441 WeakPolarHBondContact CA-O 3.4Å; W415-C441 HydrophobicContact CG-CB 4.09Å; L416-C441 PolarHBondContact N-O 3.32Å; C441-F443 HydrophobicContact CB-CD2 4.49Å; C441-F443 HydrophobicContact CB-CE2 3.62Å; C441-F443 HydrophobicContact CB-CZ 4.19Å; C441-A461 WeakPolarHBondContact CA-O 3.21Å; C441-F463 HydrophobicContact CB-CE2 4.49Å
442V95.8Very high94.1Very high0 Ų037.6 Ų37.60%023%0.231CC..EExtended strand (participates in β ladder)trans-121136.7175.966.80000111.3L416 L418 W429 I436 F454 I460 A461 C462 F463L416-V442 HydrophobicContact CD2-CG2 4.38Å; L416-V442 CarbonylContact O-C 3.5Å; L416-V442 WeakPolarHBondContact O-CA 3.33Å; L418-V442 HydrophobicContact CG-CG2 4.4Å; W429-V442 HydrophobicContact CE3-CG2 4.41Å; W429-V442 HydrophobicContact CH2-CG1 4.27Å; W429-V442 HydrophobicContact CZ3-CB 4.36Å; W429-V442 HydrophobicContact CZ3-CG1 4.13Å; W429-V442 HydrophobicContact CZ3-CG2 3.99Å; I436-V442 HydrophobicContact CD1-CB 4Å; V442-F454 HydrophobicContact CB-CE2 4.48Å; V442-F454 HydrophobicContact CG1-CB 4.46Å; V442-F454 HydrophobicContact CG1-CD1 4.46Å; V442-F454 HydrophobicContact CG1-CD2 3.74Å; V442-F454 HydrophobicContact CG1-CE2 3.93Å; V442-F454 HydrophobicContact CG1-CG 3.99Å; V442-F454 HydrophobicContact CG1-CZ 4.37Å; V442-F454 HydrophobicContact CG2-CD1 4.46Å; V442-F454 HydrophobicContact CG2-CE1 3.97Å; V442-F454 HydrophobicContact CG2-CE2 4.04Å; V442-F454 HydrophobicContact CG2-CZ 3.7Å; V442-I460 HydrophobicContact CG1-CD1 4.03Å; V442-A461 PolarHBondContact N-O 2.8Å; V442-C462 HydrophobicContact CG1-CB 4.29Å; V442-C462 WeakPolarHBondContact O-CA 3.37Å; V442-F463 PolarHBondContact O-N 2.73Å
443F97.1Very high94.1Very high0 Ų039.2 Ų39.20%024%0.242CC..EExtended strand (participates in β ladder)trans-126.8148.3-177.6-60.5-100.5000109.9W415 L416 F417 L418 C441 F463 L465 L488 V497W415-F443 HydrophobicContact CB-CD2 4.48Å; W415-F443 HydrophobicContact CB-CE2 3.97Å; W415-F443 AromaticContact CD2-CE2 3.6Å; W415-F443 HydrophobicContact CD2-CE2 3.6Å; W415-F443 AromaticContact CD2-CZ 3.81Å; W415-F443 HydrophobicContact CD2-CZ 3.81Å; W415-F443 AromaticContact CE3-CE2 3.62Å; W415-F443 HydrophobicContact CE3-CE2 3.62Å; W415-F443 AromaticContact CE3-CZ 3.6Å; W415-F443 HydrophobicContact CE3-CZ 3.6Å; W415-F443 AromaticContact CG-CE2 3.78Å; W415-F443 HydrophobicContact CG-CE2 3.78Å; W415-F443 HydrophobicContact CG-CZ 4.44Å; W415-F443 HydrophobicContact CH2-CZ 4.24Å; W415-F443 HydrophobicContact CZ2-CZ 4.41Å; W415-F443 HydrophobicContact CZ3-CE2 4.33Å; W415-F443 AromaticContact CZ3-CZ 3.83Å; W415-F443 HydrophobicContact CZ3-CZ 3.83Å; L416-F443 PolarHBondContact O-N 3.27Å; F417-F443 HydrophobicContact CD1-CB 3.39Å; F417-F443 HydrophobicContact CD1-CD2 4.4Å; F417-F443 AromaticContact CD1-CG 3.93Å; F417-F443 HydrophobicContact CD1-CG 3.93Å; F417-F443 HydrophobicContact CD2-CB 4.49Å; F417-F443 HydrophobicContact CD2-CD2 4.23Å; F417-F443 HydrophobicContact CE1-CB 3.49Å; F417-F443 VanDerWaalsContact CE1-CB 3.49Å; F417-F443 AromaticContact CE1-CD1 3.83Å; F417-F443 HydrophobicContact CE1-CD1 3.83Å; F417-F443 HydrophobicContact CE1-CD2 4.02Å; F417-F443 AromaticContact CE1-CG 3.51Å; F417-F443 HydrophobicContact CE1-CG 3.51Å; F417-F443 AromaticContact CE2-CD2 3.86Å; F417-F443 HydrophobicContact CE2-CD2 3.86Å; F417-F443 HydrophobicContact CE2-CE2 4.26Å; F417-F443 HydrophobicContact CE2-CG 4.22Å; F417-F443 HydrophobicContact CG-CB 3.92Å; F417-F443 HydrophobicContact CG-CD2 4.49Å; F417-F443 HydrophobicContact CG-CG 4.42Å; F417-F443 HydrophobicContact CZ-CB 4.12Å; F417-F443 AromaticContact CZ-CD1 3.99Å; F417-F443 HydrophobicContact CZ-CD1 3.99Å; F417-F443 AromaticContact CZ-CD2 3.74Å; F417-F443 HydrophobicContact CZ-CD2 3.74Å; F417-F443 HydrophobicContact CZ-CE1 4.36Å; F417-F443 HydrophobicContact CZ-CE2 4.13Å; F417-F443 AromaticContact CZ-CG 3.68Å; F417-F443 HydrophobicContact CZ-CG 3.68Å; F417-F443 HydrophobicContact CZ-CZ 4.43Å; L418-F443 PolarHBondContact N-O 2.88Å; C441-F443 HydrophobicContact CB-CD2 4.49Å; C441-F443 HydrophobicContact CB-CE2 3.62Å; C441-F443 HydrophobicContact CB-CZ 4.19Å; F443-F463 VanDerWaalsContact CA-O 3.29Å; F443-F463 WeakPolarHBondContact CA-O 3.33Å; F443-F463 HydrophobicContact CD1-CB 3.41Å; F443-F463 VanDerWaalsContact CD1-CB 3.41Å; F443-F463 HydrophobicContact CD1-CD2 4.11Å; F443-F463 HydrophobicContact CD1-CG 4.06Å; F443-F463 HydrophobicContact CE1-CB 3.58Å; F443-F463 AromaticContact CE1-CD2 3.55Å; F443-F463 HydrophobicContact CE1-CD2 3.55Å; F443-F463 HydrophobicContact CE1-CE2 4.43Å; F443-F463 AromaticContact CE1-CG 3.7Å; F443-F463 HydrophobicContact CE1-CG 3.7Å; F443-F463 HydrophobicContact CE2-CD2 4.27Å; F443-F463 HydrophobicContact CG-CB 4.19Å; F443-F463 HydrophobicContact CZ-CB 4.47Å; F443-F463 AromaticContact CZ-CD2 3.64Å; F443-F463 HydrophobicContact CZ-CD2 3.64Å; F443-F463 HydrophobicContact CZ-CE2 4.22Å; F443-F463 HydrophobicContact CZ-CG 4.27Å; F443-L465 HydrophobicContact CD1-CB 4.21Å; F443-L488 HydrophobicContact CE1-CD1 4.49Å; F443-V497 HydrophobicContact CE1-CG1 3.82Å; F443-V497 HydrophobicContact CZ-CG1 3.87Å
444H97Very high94.1Very high0 Ų037.4 Ų37.40%023%0.233CC..EExtended strand (participates in β ladder)trans-127.1158.6157.570.273.6000110.6L418 I425 S446 K449 S450 F454 F463 S464 L465L418-H444 HydrophobicContact CB-CB 4.45Å; I425-H444 HydrophobicContact CD1-CB 3.98Å; I425-H444 HydrophobicContact CG1-CB 4.45Å; I425-H444 HydrophobicContact CG2-CB 4.11Å; H444-S446 WeakPolarHBondContact ND1-CB 3.42Å; H444-S446 PolarHBondContact ND1-N 3.02Å; H444-K449 PolarHBondContact CE1-O 3.14Å; H444-S450 PolarHBondContact NE2-O 3.44Å; H444-F454 HydrophobicContact CB-CE2 4.34Å; H444-F454 HydrophobicContact CB-CZ 3.79Å; H444-F454 AromaticContact CD2-CE2 3.56Å; H444-F454 AromaticContact CD2-CZ 3.69Å; H444-F463 PolarHBondContact N-O 3.49Å; H444-F463 VanDerWaalsContact N-O 3.11Å; H444-S464 WeakPolarHBondContact CE1-CB 3.35Å; H444-S464 PolarHBondContact CE1-OG 2.94Å; H444-S464 PolarHBondContact ND1-OG 3.39Å; H444-S464 WeakPolarHBondContact O-CA 3.01Å; H444-S464 PolarHBondContact O-OG 2.71Å; H444-L465 PolarHBondContact O-N 2.71Å
445C95.9Very high94Very high38 Ų3839 Ų3926%0.25724%0.241SC..  trans-99.23.1-174.7-60.10000115.4G447 L465 H466C445-G447 PolarHBondContact O-N 2.72Å; C445-L465 WeakPolarHBondContact CA-O 3.39Å; C445-H466 PolarHBondContact O-CD2 2.81Å; C445-H466 VanDerWaalsContact O-CD2 3.25Å
446S95.9Very high93.9Very high3 Ų337.3 Ų37.32%0.02123%0.234CC..  trans-57.3131.7176.5177.40000113.7D422 H444 A448 K449 S464 K516D422-S446 VanDerWaalsContact OD1-CB 3.24Å; D422-S446 WeakPolarHBondContact OD1-CB 3Å; D422-S446 PolarHBondContact OD1-OG 2.82Å; D422-S446 WeakPolarHBondContact OD2-CB 3.45Å; D422-S446 PolarHBondContact OD2-OG 3.24Å; H444-S446 WeakPolarHBondContact ND1-CB 3.42Å; H444-S446 PolarHBondContact ND1-N 3.02Å; S446-A448 VanDerWaalsContact C-N 3.34Å; S446-A448 PolarHBondContact OG-N 2.94Å; S446-A448 VanDerWaalsContact OG-N 3.13Å; S446-K449 WeakPolarHBondContact OG-CG 3.13Å; S446-K449 PolarHBondContact OG-N 3.3Å; S446-S464 PolarHBondContact O-OG 2.87Å; S446-S464 VanDerWaalsContact O-OG 3.11Å; S446-K516 PolarHBondContact O-NZ 2.81Å
447G94Very high93.7Very high2 Ų247.1 Ų47.12%0.02128%0.276CS..SBendtrans-71.3-25.9170.900000114C445 H466 K516C445-G447 PolarHBondContact O-N 2.72Å; G447-H466 WeakPolarHBondContact CA-CD2 3.38Å; G447-H466 PolarHBondContact N-CD2 3.34Å; G447-H466 VanDerWaalsContact N-CD2 3.26Å; G447-K516 WeakPolarHBondContact O-CE 3.32Å
448A94.2Very high93.6Very high30 Ų3046.5 Ų46.525%0.24827%0.265CS..SBendtrans-105-35.4-171.900000114.4S446 H520S446-A448 VanDerWaalsContact C-N 3.34Å; S446-A448 PolarHBondContact OG-N 2.94Å; S446-A448 VanDerWaalsContact OG-N 3.13Å; A448-H520 HydrophobicContact CB-CB 4.24Å
449K95.5Very high93.5Very high104 Ų10445.2 Ų45.245%0.45226%0.259SS..SBendtrans-78.3143.8-179.2-59.2-63.9-175.5177.80110.5H444 S446 K516H444-K449 PolarHBondContact CE1-O 3.14Å; S446-K449 WeakPolarHBondContact OG-CG 3.13Å; S446-K449 PolarHBondContact OG-N 3.3Å; K449-K516 WeakPolarHBondContact O-CD 3.37Å; K449-K516 WeakPolarHBondContact O-CE 3.24Å; K449-K516 PolarHBondContact O-NZ 2.93Å
450S96.1Very high93.7Very high32 Ų3243.4 Ų43.422%0.22424%0.237CC..  trans-89.7161.1168.364.10000111.7H444 A452 V453 E489H444-S450 PolarHBondContact NE2-O 3.44Å; S450-A452 PolarHBondContact O-N 3.01Å; S450-A452 WeakPolarHBondContact OG-CB 3.35Å; S450-V453 WeakPolarHBondContact O-CG1 3.2Å; S450-V453 PolarHBondContact O-N 2.92Å; S450-E489 VanDerWaalsContact CA-OE2 3.22Å; S450-E489 WeakPolarHBondContact CA-OE2 3.39Å; S450-E489 WeakPolarHBondContact CB-OE2 3.33Å
451S96Very high93.7Very high10 Ų1042.6 Ų42.67%0.0723%0.234CC..G310 helixtrans-52.1-18.1171.467.90000113.8V453 F454 E489S451-V453 PolarHBondContact O-N 2.89Å; S451-V453 VanDerWaalsContact O-N 3.1Å; S451-F454 WeakPolarHBondContact O-CB 3.29Å; S451-F454 WeakPolarHBondContact O-CD2 3.33Å; S451-F454 PolarHBondContact O-N 3.44Å; S451-E489 PolarHBondContact N-OE2 3.21Å; S451-E489 PolarHBondContact OG-OE1 3.04Å
452A94.4Very high93.9Very high71 Ų7142.9 Ų42.959%0.58724%0.236SC*.G310 helixtrans-62.5-12.8174.100000113.9S450 F454S450-A452 PolarHBondContact O-N 3.01Å; S450-A452 WeakPolarHBondContact OG-CB 3.35Å; A452-F454 PolarHBondContact O-N 3.27Å
453V95.6Very high94Very high35 Ų3542.9 Ų42.921%0.21224%0.236CC..G310 helixtrans-60.1-26.9169.270.30000112.2I425 A426 S450 S451 V455I425-V453 HydrophobicContact CG2-CB 4.49Å; I425-V453 HydrophobicContact CG2-CG1 3.7Å; I425-V453 HydrophobicContact CG2-CG2 3.97Å; A426-V453 HydrophobicContact CB-CG2 3.97Å; S450-V453 WeakPolarHBondContact O-CG1 3.2Å; S450-V453 PolarHBondContact O-N 2.92Å; S451-V453 PolarHBondContact O-N 2.89Å; S451-V453 VanDerWaalsContact O-N 3.1Å; V453-V455 VanDerWaalsContact C-N 3.34Å; V453-V455 PolarHBondContact O-N 3.25Å
454F95.4Very high94Very high11 Ų1142.9 Ų42.95%0.04824%0.236CC..  trans-82.276.7176.9-58.5-48.2000111.4L418 I425 W429 V442 H444 S451 A452 T456 C462L418-F454 HydrophobicContact CD1-CE1 3.7Å; L418-F454 HydrophobicContact CD1-CZ 4.24Å; L418-F454 HydrophobicContact CG-CE1 4.4Å; L418-F454 HydrophobicContact CG-CZ 4.48Å; I425-F454 HydrophobicContact CG2-CE1 4.05Å; I425-F454 HydrophobicContact CG2-CZ 4.47Å; W429-F454 HydrophobicContact CB-CD1 4.17Å; W429-F454 HydrophobicContact CB-CE1 4.46Å; W429-F454 HydrophobicContact CD2-CB 4.3Å; W429-F454 AromaticContact CD2-CD1 3.5Å; W429-F454 HydrophobicContact CD2-CD1 3.5Å; W429-F454 HydrophobicContact CD2-CE1 4.26Å; W429-F454 HydrophobicContact CD2-CG 4.33Å; W429-F454 AromaticContact CE3-CD1 3.59Å; W429-F454 HydrophobicContact CE3-CD1 3.59Å; W429-F454 HydrophobicContact CE3-CE1 4.01Å; W429-F454 HydrophobicContact CE3-CG 4.45Å; W429-F454 AromaticContact CG-CD1 3.75Å; W429-F454 HydrophobicContact CG-CD1 3.75Å; W429-F454 HydrophobicContact CG-CE1 4.46Å; W429-F454 HydrophobicContact CZ2-CB 4.09Å; W429-F454 HydrophobicContact CZ3-CD1 4.23Å; V442-F454 HydrophobicContact CB-CE2 4.48Å; V442-F454 HydrophobicContact CG1-CB 4.46Å; V442-F454 HydrophobicContact CG1-CD1 4.46Å; V442-F454 HydrophobicContact CG1-CD2 3.74Å; V442-F454 HydrophobicContact CG1-CE2 3.93Å; V442-F454 HydrophobicContact CG1-CG 3.99Å; V442-F454 HydrophobicContact CG1-CZ 4.37Å; V442-F454 HydrophobicContact CG2-CD1 4.46Å; V442-F454 HydrophobicContact CG2-CE1 3.97Å; V442-F454 HydrophobicContact CG2-CE2 4.04Å; V442-F454 HydrophobicContact CG2-CZ 3.7Å; H444-F454 HydrophobicContact CB-CE2 4.34Å; H444-F454 HydrophobicContact CB-CZ 3.79Å; H444-F454 AromaticContact CD2-CE2 3.56Å; H444-F454 AromaticContact CD2-CZ 3.69Å; S451-F454 WeakPolarHBondContact O-CB 3.29Å; S451-F454 WeakPolarHBondContact O-CD2 3.33Å; S451-F454 PolarHBondContact O-N 3.44Å; A452-F454 PolarHBondContact O-N 3.27Å; F454-T456 PolarHBondContact O-N 2.67Å; F454-C462 HydrophobicContact CB-CB 4.19Å; F454-C462 HydrophobicContact CD2-CB 3.88Å
455V92.7Very high94Very high116 Ų11643.4 Ų43.470%0.70324%0.239SC*.  trans-75.8114.2176.6-1760000109.6W429 V453W429-V455 PolarHBondContact NE1-O 3.06Å; V453-V455 VanDerWaalsContact C-N 3.34Å; V453-V455 PolarHBondContact O-N 3.25Å
456T92.2Very high94.1Very high39 Ų3942.8 Ų42.824%0.23923%0.232CC..  trans-154.4160.2174-178.90000111.8W429 E433 F454 K458 I460W429-T456 HydrophobicContact CZ2-CG2 3.93Å; E433-T456 WeakPolarHBondContact OE1-CB 3.21Å; E433-T456 PolarHBondContact OE1-OG1 2.75Å; F454-T456 PolarHBondContact O-N 2.67Å; T456-K458 WeakPolarHBondContact OG1-CB 3.45Å; T456-K458 PolarHBondContact OG1-N 2.87Å; T456-I460 HydrophobicContact CG2-CD1 3.64Å; T456-I460 HydrophobicContact CG2-CG1 3.71Å
457K89Confident94.1Very high207 Ų20743.4 Ų43.490%0.924%0.236SC*.SBendtrans-95-9.1169.5-64.3-178.5-179.1176.60112.8
458K90.2Very high94.1Very high57 Ų5746.6 Ų46.625%0.24825%0.252CS..SBendtrans-72.1145.3179.8-62.8178.9176.7-179.60110E433 P434 I436 T456 I460E433-K458 WeakPolarHBondContact O-CE 3.34Å; E433-K458 PolarHBondContact O-NZ 3.31Å; P434-K458 PolarHBondContact O-NZ 3.18Å; I436-K458 HydrophobicContact CG2-CD 4.3Å; I436-K458 WeakPolarHBondContact O-CD 3.32Å; I436-K458 PolarHBondContact O-NZ 2.97Å; T456-K458 WeakPolarHBondContact OG1-CB 3.45Å; T456-K458 PolarHBondContact OG1-N 2.87Å; K458-I460 HydrophobicContact CB-CG2 4.07Å; K458-I460 PolarHBondContact O-N 3.41Å
459E86.7Confident94Very high117 Ų11747.1 Ų47.155%0.54725%0.25SS..  trans-78.967.1176.6-74-71.8126.500111.1K492E459-K492 IonicContact OE1-NZ 3.56Å; E459-K492 PolarHBondContact OE1-NZ 3.42Å; E459-K492 IonicContact OE2-NZ 2.83Å; E459-K492 PolarHBondContact OE2-NZ 3.06Å
460I89.3Confident93.6Very high11 Ų1145 Ų456%0.05625%0.252CS..  trans-108.9152.7177.762.5168.2000111.3W429 I436 S437 V442 T456 K458W429-I460 HydrophobicContact CH2-CD1 3.41Å; W429-I460 VanDerWaalsContact CH2-CD1 3.41Å; W429-I460 HydrophobicContact CZ2-CD1 3.97Å; W429-I460 HydrophobicContact CZ3-CD1 4.44Å; I436-I460 HydrophobicContact CD1-CD1 4.29Å; I436-I460 HydrophobicContact CG2-CD1 4.19Å; S437-I460 WeakPolarHBondContact O-CG2 3.4Å; V442-I460 HydrophobicContact CG1-CD1 4.03Å; T456-I460 HydrophobicContact CG2-CD1 3.64Å; T456-I460 HydrophobicContact CG2-CG1 3.71Å; K458-I460 HydrophobicContact CB-CG2 4.07Å; K458-I460 PolarHBondContact O-N 3.41Å
461A92.9Very high93.1Very high6 Ų649 Ų495%0.0527%0.266CS..EExtended strand (participates in β ladder)trans-90.9123175.600000110C441 V442 F463 K493C441-A461 WeakPolarHBondContact CA-O 3.21Å; V442-A461 PolarHBondContact N-O 2.8Å; A461-F463 HydrophobicContact CB-CD2 4.44Å; A461-F463 HydrophobicContact CB-CE2 3.47Å; A461-F463 VanDerWaalsContact CB-CE2 3.47Å; A461-F463 HydrophobicContact CB-CZ 3.9Å; A461-K493 HydrophobicContact CB-CD 4.48Å
462C96.6Very high92.4Very high11 Ų1152.9 Ų52.97%0.07430%0.299CS..EExtended strand (participates in β ladder)trans-114.6129.5-173.5-68.70000110.2V442 F454 G490 S491V442-C462 HydrophobicContact CG1-CB 4.29Å; V442-C462 WeakPolarHBondContact O-CA 3.37Å; F454-C462 HydrophobicContact CB-CB 4.19Å; F454-C462 HydrophobicContact CD2-CB 3.88Å; C462-G490 VanDerWaalsContact O-CA 3.26Å; C462-G490 WeakPolarHBondContact O-CA 3.24Å; C462-S491 PolarHBondContact O-N 3.39Å
463F97.4Very high91.7Very high0 Ų055.4 Ų55.40%030%0.302CS..EExtended strand (participates in β ladder)trans-137.8156.8-175.6-59.7-79.5000112.6C441 V442 F443 H444 A461 L488 E489 K492 L494 V497C441-F463 HydrophobicContact CB-CE2 4.49Å; V442-F463 PolarHBondContact O-N 2.73Å; F443-F463 VanDerWaalsContact CA-O 3.29Å; F443-F463 WeakPolarHBondContact CA-O 3.33Å; F443-F463 HydrophobicContact CD1-CB 3.41Å; F443-F463 VanDerWaalsContact CD1-CB 3.41Å; F443-F463 HydrophobicContact CD1-CD2 4.11Å; F443-F463 HydrophobicContact CD1-CG 4.06Å; F443-F463 HydrophobicContact CE1-CB 3.58Å; F443-F463 AromaticContact CE1-CD2 3.55Å; F443-F463 HydrophobicContact CE1-CD2 3.55Å; F443-F463 HydrophobicContact CE1-CE2 4.43Å; F443-F463 AromaticContact CE1-CG 3.7Å; F443-F463 HydrophobicContact CE1-CG 3.7Å; F443-F463 HydrophobicContact CE2-CD2 4.27Å; F443-F463 HydrophobicContact CG-CB 4.19Å; F443-F463 HydrophobicContact CZ-CB 4.47Å; F443-F463 AromaticContact CZ-CD2 3.64Å; F443-F463 HydrophobicContact CZ-CD2 3.64Å; F443-F463 HydrophobicContact CZ-CE2 4.22Å; F443-F463 HydrophobicContact CZ-CG 4.27Å; H444-F463 PolarHBondContact N-O 3.49Å; H444-F463 VanDerWaalsContact N-O 3.11Å; A461-F463 HydrophobicContact CB-CD2 4.44Å; A461-F463 HydrophobicContact CB-CE2 3.47Å; A461-F463 VanDerWaalsContact CB-CE2 3.47Å; A461-F463 HydrophobicContact CB-CZ 3.9Å; F463-L488 HydrophobicContact CB-CD1 4.05Å; F463-L488 HydrophobicContact CD1-CD1 3.93Å; F463-L488 HydrophobicContact CD1-CG 4.49Å; F463-L488 HydrophobicContact CG-CD1 4.24Å; F463-E489 CarbonylContact C-O 3.58Å; F463-E489 VanDerWaalsContact CA-O 3.23Å; F463-E489 WeakPolarHBondContact CA-O 3.46Å; F463-K492 WeakPolarHBondContact CZ-O 3.47Å; F463-L494 HydrophobicContact CD1-CD1 4.28Å; F463-L494 HydrophobicContact CE1-CB 4.43Å; F463-L494 HydrophobicContact CE1-CD1 4.09Å; F463-V497 HydrophobicContact CD2-CG1 4.48Å; F463-V497 HydrophobicContact CE1-CB 4.22Å; F463-V497 HydrophobicContact CE1-CG1 4.35Å; F463-V497 HydrophobicContact CE1-CG2 4.33Å; F463-V497 HydrophobicContact CE2-CB 4.33Å; F463-V497 HydrophobicContact CE2-CG1 4.26Å; F463-V497 HydrophobicContact CE2-CG2 3.72Å; F463-V497 HydrophobicContact CZ-CB 3.92Å; F463-V497 HydrophobicContact CZ-CG1 4.2Å; F463-V497 HydrophobicContact CZ-CG2 3.53Å
464S97.7Very high90.6Very high0 Ų061.8 Ų61.80%033%0.327CS..EExtended strand (participates in β ladder)trans-115.8125.8158.5-177.20000109.7H444 S446 L488 E489 K516H444-S464 WeakPolarHBondContact CE1-CB 3.35Å; H444-S464 PolarHBondContact CE1-OG 2.94Å; H444-S464 PolarHBondContact ND1-OG 3.39Å; H444-S464 WeakPolarHBondContact O-CA 3.01Å; H444-S464 PolarHBondContact O-OG 2.71Å; S446-S464 PolarHBondContact O-OG 2.87Å; S446-S464 VanDerWaalsContact O-OG 3.11Å; S464-L488 CarbonylContact O-C 3.6Å; S464-L488 WeakPolarHBondContact O-CA 3.21Å; S464-E489 PolarHBondContact N-O 3.36Å; S464-E489 PolarHBondContact O-N 2.99Å; S464-K516 PolarHBondContact OG-NZ 3.28Å
465L97.4Very high89.8Confident12 Ų1268.2 Ų68.26%0.06336%0.357CS..EExtended strand (participates in β ladder)trans-121.798.8177.3-176.466.4000109.3F417 F443 H444 C445 P467 F486 T487 L488 L501F417-L465 HydrophobicContact CE1-CB 4.49Å; F417-L465 HydrophobicContact CE1-CD2 3.82Å; F417-L465 HydrophobicContact CZ-CD2 4.32Å; F443-L465 HydrophobicContact CD1-CB 4.21Å; H444-L465 PolarHBondContact O-N 2.71Å; C445-L465 WeakPolarHBondContact CA-O 3.39Å; L465-P467 WeakPolarHBondContact O-CD 3.28Å; L465-F486 HydrophobicContact CD1-CB 3.75Å; L465-F486 HydrophobicContact CD1-CD1 4.03Å; L465-F486 HydrophobicContact CD1-CG 4.22Å; L465-F486 HydrophobicContact CD2-CD1 4.26Å; L465-F486 HydrophobicContact CG-CB 4.46Å; L465-F486 HydrophobicContact CG-CD1 3.8Å; L465-F486 HydrophobicContact CG-CE1 4.49Å; L465-F486 HydrophobicContact CG-CG 4.47Å; L465-T487 WeakPolarHBondContact CA-O 3.25Å; L465-L488 HydrophobicContact CB-CD1 4.43Å; L465-L488 HydrophobicContact CD1-CB 4.24Å; L465-L488 HydrophobicContact CD1-CD1 4.09Å; L465-L501 HydrophobicContact CD1-CD1 3.85Å; L465-L501 HydrophobicContact CD2-CD1 4.01Å; L465-L501 HydrophobicContact CD2-CD2 3.94Å
466H97Very high89.2Confident24 Ų2464.3 Ų64.311%0.11133%0.332CS..EExtended strand (participates in β ladder)trans-97.8119.4-176.2177.1-123.1000111.3C445 G447 F486 T487 Y519C445-H466 PolarHBondContact O-CD2 2.81Å; C445-H466 VanDerWaalsContact O-CD2 3.25Å; G447-H466 WeakPolarHBondContact CA-CD2 3.38Å; G447-H466 PolarHBondContact N-CD2 3.34Å; G447-H466 VanDerWaalsContact N-CD2 3.26Å; H466-F486 VanDerWaalsContact O-CA 3.31Å; H466-F486 WeakPolarHBondContact O-CA 3.1Å; H466-T487 PolarHBondContact N-O 2.96Å; H466-T487 PolarHBondContact O-N 2.97Å; H466-Y519 AromaticContact ND1-CE1 3.44Å; H466-Y519 WeakPolarHBondContact ND1-CE1 3.38Å; H466-Y519 AromaticContact ND1-CZ 3.5Å; H466-Y519 PolarHBondContact ND1-OH 3.35Å
467P95.4Very high88.7Confident17 Ų1766.1 Ų66.111%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-71.7130169.425.4-30.4000111.5L465 M469 F471 V484 F486L465-P467 WeakPolarHBondContact O-CD 3.28Å; P467-M469 PolarHBondContact O-N 3.25Å; P467-F471 HydrophobicContact CB-CE2 3.98Å; P467-F471 HydrophobicContact CB-CZ 3.93Å; P467-F471 HydrophobicContact CG-CE2 3.66Å; P467-F471 HydrophobicContact CG-CZ 3.86Å; P467-V484 HydrophobicContact CB-CG1 3.95Å; P467-F486 VanDerWaalsContact CA-CD1 3.5Å; P467-F486 HydrophobicContact CB-CD1 3.88Å; P467-F486 HydrophobicContact CB-CE1 3.47Å; P467-F486 VanDerWaalsContact CB-CE1 3.47Å; P467-F486 HydrophobicContact CB-CZ 3.97Å; P467-F486 HydrophobicContact CG-CE1 4.2Å
468L94.6Very high88.3Confident68 Ų6860 Ų6036%0.35633%0.333SS..  trans-84.566.7174.7-7379000110.6P485 T487 Y519L468-P485 HydrophobicContact CB-CB 4.45Å; L468-P485 HydrophobicContact CD1-CB 4.34Å; L468-P485 VanDerWaalsContact CD1-O 3.23Å; L468-P485 WeakPolarHBondContact CD1-O 3.48Å; L468-P485 PolarHBondContact N-O 3.32Å; L468-T487 HydrophobicContact CD1-CG2 4.22Å; L468-Y519 WeakPolarHBondContact CD1-OH 3.33Å; L468-Y519 HydrophobicContact CD2-CE2 4.27Å; L468-Y519 HydrophobicContact CG-CE2 4.49Å; L468-Y519 WeakPolarHBondContact CG-OH 3.43Å
469M91.9Very high88Confident41 Ų4161.6 Ų61.620%0.20235%0.351CS..SBendtrans-144.1143178.8-176.6171-169.100111.3P467 F471 I476 Q480 L481 V484P467-M469 PolarHBondContact O-N 3.25Å; M469-F471 HydrophobicContact CB-CD2 4.48Å; M469-F471 HydrophobicContact CB-CE2 3.87Å; M469-F471 HydrophobicContact CB-CZ 3.99Å; M469-F471 HydrophobicContact CG-CE2 4.4Å; M469-F471 HydrophobicContact CG-CZ 4.36Å; M469-F471 VanDerWaalsContact O-CD2 3.25Å; M469-F471 WeakPolarHBondContact O-CD2 3.43Å; M469-F471 WeakPolarHBondContact O-CE2 3.49Å; M469-F471 HydrophobicContact SD-CE1 4.29Å; M469-F471 HydrophobicContact SD-CZ 4.39Å; M469-I476 HydrophobicContact CE-CD1 3.76Å; M469-I476 HydrophobicContact CE-CG1 4.32Å; M469-I476 HydrophobicContact CE-CG2 3.7Å; M469-I476 HydrophobicContact SD-CD1 3.97Å; M469-I476 HydrophobicContact SD-CG2 4.34Å; M469-Q480 HydrophobicContact CE-CG 3.8Å; M469-L481 HydrophobicContact SD-CD2 4.21Å; M469-V484 HydrophobicContact CB-CG1 4.04Å; M469-V484 HydrophobicContact CB-CG2 4.09Å; M469-V484 HydrophobicContact CG-CG2 4.39Å; M469-V484 HydrophobicContact SD-CG2 3.6Å
470A87.2Confident88Confident60 Ų6060.8 Ų60.850%0.49635%0.347SS..  trans-85.6108.3169.800000109.7A472 S527A470-A472 PolarHBondContact O-N 3.1Å; A470-A472 VanDerWaalsContact O-N 3.17Å; A470-S527 WeakPolarHBondContact CB-OG 3.42Å
471F85.7Confident87.9Confident115 Ų11563.6 Ų63.650%0.50436%0.362SS..  trans-84.484.6177.5-62.4-92.4000109.8P467 M469 I476 L481P467-F471 HydrophobicContact CB-CE2 3.98Å; P467-F471 HydrophobicContact CB-CZ 3.93Å; P467-F471 HydrophobicContact CG-CE2 3.66Å; P467-F471 HydrophobicContact CG-CZ 3.86Å; M469-F471 HydrophobicContact CB-CD2 4.48Å; M469-F471 HydrophobicContact CB-CE2 3.87Å; M469-F471 HydrophobicContact CB-CZ 3.99Å; M469-F471 HydrophobicContact CG-CE2 4.4Å; M469-F471 HydrophobicContact CG-CZ 4.36Å; M469-F471 VanDerWaalsContact O-CD2 3.25Å; M469-F471 WeakPolarHBondContact O-CD2 3.43Å; M469-F471 WeakPolarHBondContact O-CE2 3.49Å; M469-F471 HydrophobicContact SD-CE1 4.29Å; M469-F471 HydrophobicContact SD-CZ 4.39Å; F471-I476 HydrophobicContact CD1-CD1 3.31Å; F471-I476 HydrophobicContact CE1-CD1 3.63Å; F471-I476 HydrophobicContact CG-CD1 4.33Å; F471-L481 HydrophobicContact CE1-CD2 4.41Å
472A81.9Confident87.7Confident93 Ų9366 Ų6677%0.76938%0.382SS*.  trans-81.1-37.9175.200000112.1A470A470-A472 PolarHBondContact O-N 3.1Å; A470-A472 VanDerWaalsContact O-N 3.17Å
473D79.1Confident87.3Confident123 Ų12372.9 Ų72.966%0.65841%0.413SS*.SBendtrans-114153.5176.5-67.1-54.8000110.6E475D473-E475 VanDerWaalsContact C-N 3.34Å
474K73.3Confident87.2Confident169 Ų16973.3 Ų73.374%0.73542%0.416SS*.SBendtrans-76.1-24.2177.5-66.5-177.1-179.4178.30112.8
475E77.7Confident87.1Confident146 Ų14675.9 Ų75.968%0.68243%0.433SS*.  trans-106.4111-177.1-62.6-167.916000109.6D473D473-E475 VanDerWaalsContact C-N 3.34Å
476I80.3Confident87.1Confident35 Ų3577.4 Ų77.418%0.17944%0.439CS..  trans-121.2128.6-179.2-60.6170.4000107.5M469 F471 A478 Q480 L481M469-I476 HydrophobicContact CE-CD1 3.76Å; M469-I476 HydrophobicContact CE-CG1 4.32Å; M469-I476 HydrophobicContact CE-CG2 3.7Å; M469-I476 HydrophobicContact SD-CD1 3.97Å; M469-I476 HydrophobicContact SD-CG2 4.34Å; F471-I476 HydrophobicContact CD1-CD1 3.31Å; F471-I476 HydrophobicContact CE1-CD1 3.63Å; F471-I476 HydrophobicContact CG-CD1 4.33Å; I476-A478 PolarHBondContact O-N 3.37Å; I476-Q480 HydrophobicContact CG2-CB 3.97Å; I476-Q480 HydrophobicContact CG2-CG 4.21Å; I476-L481 HydrophobicContact CB-CD1 4.44Å; I476-L481 HydrophobicContact CB-CD2 4.15Å; I476-L481 HydrophobicContact CB-CG 4.19Å; I476-L481 HydrophobicContact CD1-CD2 4.3Å; I476-L481 HydrophobicContact CG2-CD2 3.81Å; I476-L481 HydrophobicContact CG2-CG 3.77Å
477P81.8Confident87.1Confident76 Ų7676.9 Ų76.949%0.49444%0.437SS..  trans-55.6137175.7-25.334.4000111.8S479 Q480 L481P477-S479 PolarHBondContact O-N 3.24Å; P477-S479 VanDerWaalsContact O-N 3.1Å; P477-Q480 WeakPolarHBondContact O-CB 3.39Å; P477-Q480 PolarHBondContact O-N 3.03Å; P477-L481 PolarHBondContact O-N 3.45Å
478A80.8Confident87.2Confident80 Ų8076.1 Ų76.166%0.66143%0.432SS*.Hα-helixtrans-55.4-32.1179.100000113I476 Q480 L481 A482I476-A478 PolarHBondContact O-N 3.37Å; A478-Q480 VanDerWaalsContact C-N 3.28Å; A478-Q480 PolarHBondContact O-N 3.33Å; A478-L481 PolarHBondContact O-N 2.88Å; A478-A482 PolarHBondContact O-N 2.95Å
479S84.1Confident87.3Confident90 Ų9073.2 Ų73.263%0.62942%0.417SS*.Hα-helixtrans-60.8-36175.355.90000113P477P477-S479 PolarHBondContact O-N 3.24Å; P477-S479 VanDerWaalsContact O-N 3.1Å
480Q86Confident87.4Confident99 Ų9972.2 Ų72.246%0.46342%0.417SS..Hα-helixtrans-76.7-39177.8-171.9174.86.700111M469 I476 P477 A478 A482 E483 V484M469-Q480 HydrophobicContact CE-CG 3.8Å; I476-Q480 HydrophobicContact CG2-CB 3.97Å; I476-Q480 HydrophobicContact CG2-CG 4.21Å; P477-Q480 WeakPolarHBondContact O-CB 3.39Å; P477-Q480 PolarHBondContact O-N 3.03Å; A478-Q480 VanDerWaalsContact C-N 3.28Å; A478-Q480 PolarHBondContact O-N 3.33Å; Q480-A482 VanDerWaalsContact C-N 3.27Å; Q480-A482 PolarHBondContact O-N 2.72Å; Q480-E483 PolarHBondContact O-N 3.34Å; Q480-V484 WeakPolarHBondContact O-CG2 3.42Å
481L87.2Confident87.2Confident70 Ų7072.5 Ų72.537%0.36642%0.415SS..Hα-helixtrans-63.3-32.2176.6-67174.3000112.7M469 F471 I476 P477 A478 E483 V484 N506M469-L481 HydrophobicContact SD-CD2 4.21Å; F471-L481 HydrophobicContact CE1-CD2 4.41Å; I476-L481 HydrophobicContact CB-CD1 4.44Å; I476-L481 HydrophobicContact CB-CD2 4.15Å; I476-L481 HydrophobicContact CB-CG 4.19Å; I476-L481 HydrophobicContact CD1-CD2 4.3Å; I476-L481 HydrophobicContact CG2-CD2 3.81Å; I476-L481 HydrophobicContact CG2-CG 3.77Å; P477-L481 PolarHBondContact O-N 3.45Å; A478-L481 PolarHBondContact O-N 2.88Å; L481-E483 PolarHBondContact O-N 3.14Å; L481-V484 PolarHBondContact O-N 3.22Å; L481-N506 PolarHBondContact O-ND2 3.42Å
482A88.1Confident87.2Confident57 Ų5772.2 Ų72.247%0.47141%0.414SS..THydrogen-bonded Turntrans-64.7-22.9178.800000113.8A478 Q480 N506A478-A482 PolarHBondContact O-N 2.95Å; Q480-A482 VanDerWaalsContact C-N 3.27Å; Q480-A482 PolarHBondContact O-N 2.72Å; A482-N506 PolarHBondContact O-ND2 2.85Å
483E89.2Confident87.5Confident155 Ų15572.8 Ų72.872%0.72440%0.399SS*.THydrogen-bonded Turntrans-96.2-7-179.4-62.7-173.2164.900113.1Q480 L481 P485Q480-E483 PolarHBondContact O-N 3.34Å; L481-E483 PolarHBondContact O-N 3.14Å; E483-P485 VanDerWaalsContact O-CD 3.24Å; E483-P485 WeakPolarHBondContact O-CD 3.49Å
484V94.2Very high88.2Confident9 Ų969.3 Ų69.36%0.05538%0.38CS..  trans-66.6121.9-175.9176.30000110.2P467 M469 Q480 L481 F486 N506P467-V484 HydrophobicContact CB-CG1 3.95Å; M469-V484 HydrophobicContact CB-CG1 4.04Å; M469-V484 HydrophobicContact CB-CG2 4.09Å; M469-V484 HydrophobicContact CG-CG2 4.39Å; M469-V484 HydrophobicContact SD-CG2 3.6Å; Q480-V484 WeakPolarHBondContact O-CG2 3.42Å; L481-V484 PolarHBondContact O-N 3.22Å; V484-F486 HydrophobicContact CB-CE2 4.09Å; V484-F486 HydrophobicContact CG1-CD2 4.36Å; V484-F486 HydrophobicContact CG1-CE2 3.91Å; V484-F486 HydrophobicContact CG1-CZ 4.19Å; V484-F486 VanDerWaalsContact O-CD2 3.26Å; V484-F486 WeakPolarHBondContact O-CD2 3.5Å; V484-F486 WeakPolarHBondContact O-CE2 3.19Å; V484-N506 PolarHBondContact O-ND2 2.89Å
485P95.9Very high89.2Confident55 Ų5564.9 Ų64.936%0.35738%0.375SS..  trans-71.6151.7169.1-15.731.5000110.7L468 E483 P507L468-P485 HydrophobicContact CB-CB 4.45Å; L468-P485 HydrophobicContact CD1-CB 4.34Å; L468-P485 VanDerWaalsContact CD1-O 3.23Å; L468-P485 WeakPolarHBondContact CD1-O 3.48Å; L468-P485 PolarHBondContact N-O 3.32Å; E483-P485 VanDerWaalsContact O-CD 3.24Å; E483-P485 WeakPolarHBondContact O-CD 3.49Å; P485-P507 CarbonylContact C-O 3.32Å; P485-P507 WeakPolarHBondContact CA-O 3.22Å; P485-P507 HydrophobicContact CB-CB 4.3Å
486F96.8Very high90Very high44 Ų4463.2 Ų63.219%0.19337%0.367CS..EExtended strand (participates in β ladder)trans-128.1147.3172.7-65.5-106.4000111.6L465 H466 P467 V484 N506 P507 I508 A509L465-F486 HydrophobicContact CD1-CB 3.75Å; L465-F486 HydrophobicContact CD1-CD1 4.03Å; L465-F486 HydrophobicContact CD1-CG 4.22Å; L465-F486 HydrophobicContact CD2-CD1 4.26Å; L465-F486 HydrophobicContact CG-CB 4.46Å; L465-F486 HydrophobicContact CG-CD1 3.8Å; L465-F486 HydrophobicContact CG-CE1 4.49Å; L465-F486 HydrophobicContact CG-CG 4.47Å; H466-F486 VanDerWaalsContact O-CA 3.31Å; H466-F486 WeakPolarHBondContact O-CA 3.1Å; P467-F486 VanDerWaalsContact CA-CD1 3.5Å; P467-F486 HydrophobicContact CB-CD1 3.88Å; P467-F486 HydrophobicContact CB-CE1 3.47Å; P467-F486 VanDerWaalsContact CB-CE1 3.47Å; P467-F486 HydrophobicContact CB-CZ 3.97Å; P467-F486 HydrophobicContact CG-CE1 4.2Å; V484-F486 HydrophobicContact CB-CE2 4.09Å; V484-F486 HydrophobicContact CG1-CD2 4.36Å; V484-F486 HydrophobicContact CG1-CE2 3.91Å; V484-F486 HydrophobicContact CG1-CZ 4.19Å; V484-F486 VanDerWaalsContact O-CD2 3.26Å; V484-F486 WeakPolarHBondContact O-CD2 3.5Å; V484-F486 WeakPolarHBondContact O-CE2 3.19Å; F486-N506 HydrophobicContact CD2-CB 3.89Å; F486-N506 HydrophobicContact CE2-CB 3.96Å; F486-P507 PolarHBondContact N-O 2.73Å; F486-I508 HydrophobicContact CB-CD1 3.68Å; F486-I508 HydrophobicContact CD2-CD1 4.1Å; F486-I508 HydrophobicContact CG-CD1 4.17Å; F486-I508 WeakPolarHBondContact O-CA 3.12Å; F486-A509 PolarHBondContact O-N 3.17Å
487T97.4Very high90.6Very high13 Ų1361.7 Ų61.78%0.0836%0.359CS..EExtended strand (participates in β ladder)trans-103.4131.5163.152.10000111L465 H466 L468 A509 Y519L465-T487 WeakPolarHBondContact CA-O 3.25Å; H466-T487 PolarHBondContact N-O 2.96Å; H466-T487 PolarHBondContact O-N 2.97Å; L468-T487 HydrophobicContact CD1-CG2 4.22Å; T487-A509 CarbonylContact C-O 3.37Å; T487-A509 VanDerWaalsContact CA-O 3.25Å; T487-A509 WeakPolarHBondContact CA-O 3.37Å; T487-Y519 HydrophobicContact CG2-CD2 4.26Å; T487-Y519 HydrophobicContact CG2-CE1 4.25Å; T487-Y519 HydrophobicContact CG2-CE2 3.48Å; T487-Y519 VanDerWaalsContact CG2-CE2 3.48Å; T487-Y519 VanDerWaalsContact CG2-CZ 3.46Å; T487-Y519 VanDerWaalsContact CG2-OH 3.31Å; T487-Y519 WeakPolarHBondContact CG2-OH 3.28Å; T487-Y519 WeakPolarHBondContact OG1-CE1 3.43Å; T487-Y519 PolarHBondContact OG1-OH 3.27Å
488L97.8Very high91.3Very high0 Ų060.8 Ų60.80%035%0.348CS..EExtended strand (participates in β ladder)trans-106.7126.8174.9-177.667.5000110.2F443 F463 S464 L465 L494 V497 Q498 L501 I508 A509 T510 I511F443-L488 HydrophobicContact CE1-CD1 4.49Å; F463-L488 HydrophobicContact CB-CD1 4.05Å; F463-L488 HydrophobicContact CD1-CD1 3.93Å; F463-L488 HydrophobicContact CD1-CG 4.49Å; F463-L488 HydrophobicContact CG-CD1 4.24Å; S464-L488 CarbonylContact O-C 3.6Å; S464-L488 WeakPolarHBondContact O-CA 3.21Å; L465-L488 HydrophobicContact CB-CD1 4.43Å; L465-L488 HydrophobicContact CD1-CB 4.24Å; L465-L488 HydrophobicContact CD1-CD1 4.09Å; L488-L494 HydrophobicContact CD2-CD1 3.58Å; L488-L494 HydrophobicContact CG-CD1 3.7Å; L488-V497 HydrophobicContact CD1-CG1 4.46Å; L488-V497 HydrophobicContact CD2-CG1 4.18Å; L488-Q498 HydrophobicContact CD2-CB 3.85Å; L488-L501 HydrophobicContact CD1-CD1 4.07Å; L488-L501 HydrophobicContact CD2-CD1 4.12Å; L488-I508 HydrophobicContact CB-CG2 4.02Å; L488-A509 PolarHBondContact N-O 3.1Å; L488-T510 CarbonylContact O-C 3.5Å; L488-T510 WeakPolarHBondContact O-CA 3.46Å; L488-I511 PolarHBondContact O-N 3.29Å
489E97Very high91.9Very high8 Ų862.1 Ų62.14%0.03734%0.341CS..EExtended strand (participates in β ladder)trans-125.2145.9167.4176.1-89.2138.600107.9S450 S451 F463 S464 I511 P513 K516S450-E489 VanDerWaalsContact CA-OE2 3.22Å; S450-E489 WeakPolarHBondContact CA-OE2 3.39Å; S450-E489 WeakPolarHBondContact CB-OE2 3.33Å; S451-E489 PolarHBondContact N-OE2 3.21Å; S451-E489 PolarHBondContact OG-OE1 3.04Å; F463-E489 CarbonylContact C-O 3.58Å; F463-E489 VanDerWaalsContact CA-O 3.23Å; F463-E489 WeakPolarHBondContact CA-O 3.46Å; S464-E489 PolarHBondContact N-O 3.36Å; S464-E489 PolarHBondContact O-N 2.99Å; E489-I511 HydrophobicContact CB-CG2 3.84Å; E489-I511 WeakPolarHBondContact CB-O 3.31Å; E489-I511 WeakPolarHBondContact CG-O 3.32Å; E489-P513 HydrophobicContact CG-CB 4.05Å; E489-K516 HydrophobicContact CB-CD 4.18Å; E489-K516 HydrophobicContact CG-CD 4.18Å
490G94Very high92.4Very high19 Ų1961.6 Ų61.620%0.19633%0.331CS..EExtended strand (participates in β ladder)trans168.8-173.2175.600000113.1C462C462-G490 VanDerWaalsContact O-CA 3.26Å; C462-G490 WeakPolarHBondContact O-CA 3.24Å
491S83.2Confident92.7Very high66 Ų6657.4 Ų57.446%0.46231%0.311SS..SBendtrans-102.9-114.5-169.366.10000112.8C462C462-S491 PolarHBondContact O-N 3.39Å
492K84.4Confident92.9Very high109 Ų10956.8 Ų56.847%0.47431%0.311SS..THydrogen-bonded Turntrans-63.1149.3-177.5-64.2173.3-179.61700109.9E459 F463 L494E459-K492 IonicContact OE1-NZ 3.56Å; E459-K492 PolarHBondContact OE1-NZ 3.42Å; E459-K492 IonicContact OE2-NZ 2.83Å; E459-K492 PolarHBondContact OE2-NZ 3.06Å; F463-K492 WeakPolarHBondContact CZ-O 3.47Å; K492-L494 PolarHBondContact O-N 3.48Å
493K90.1Very high93.2Very high106 Ų10659.3 Ų59.346%0.46132%0.316SS..THydrogen-bonded Turntrans64.114.3-180-51.4-175.2178.1-177.40116.1A461 A495 E496 V497A461-K493 HydrophobicContact CB-CD 4.48Å; K493-A495 VanDerWaalsContact C-N 3.35Å; K493-A495 PolarHBondContact O-N 3.35Å; K493-E496 HydrophobicContact CB-CB 4.44Å; K493-E496 WeakPolarHBondContact O-CB 3.44Å; K493-E496 PolarHBondContact O-N 2.75Å; K493-V497 HydrophobicContact CB-CG2 4.38Å; K493-V497 PolarHBondContact O-N 3.36Å
494L93.7Very high93.2Very high49 Ų4958.2 Ų58.226%0.25732%0.315SS..Hα-helixtrans-49.9-48.2-177.6-178.463.4000114.3F463 L488 K492 E496 V497 Q498 T510F463-L494 HydrophobicContact CD1-CD1 4.28Å; F463-L494 HydrophobicContact CE1-CB 4.43Å; F463-L494 HydrophobicContact CE1-CD1 4.09Å; L488-L494 HydrophobicContact CD2-CD1 3.58Å; L488-L494 HydrophobicContact CG-CD1 3.7Å; K492-L494 PolarHBondContact O-N 3.48Å; L494-E496 PolarHBondContact O-N 3.44Å; L494-V497 PolarHBondContact O-N 3.17Å; L494-Q498 WeakPolarHBondContact O-CB 3.43Å; L494-Q498 PolarHBondContact O-N 3.02Å; L494-T510 HydrophobicContact CD1-CG2 4.12Å; L494-T510 HydrophobicContact CD2-CG2 4.13Å; L494-T510 HydrophobicContact CG-CG2 4.16Å
495A94.1Very high93.1Very high76 Ų7660.6 Ų60.663%0.62834%0.341SS*.Hα-helixtrans-65.3-37.3-179.400000112.9K493 Q499K493-A495 VanDerWaalsContact C-N 3.35Å; K493-A495 PolarHBondContact O-N 3.35Å; A495-Q499 WeakPolarHBondContact O-CB 3.24Å; A495-Q499 PolarHBondContact O-N 3.28Å
496E93.6Very high93Very high112 Ų11259.4 Ų59.452%0.52333%0.332SS..Hα-helixtrans-67.1-48.4177.5-176.5-173.1163.200110.7K493 L494 Q499 L500K493-E496 HydrophobicContact CB-CB 4.44Å; K493-E496 WeakPolarHBondContact O-CB 3.44Å; K493-E496 PolarHBondContact O-N 2.75Å; L494-E496 PolarHBondContact O-N 3.44Å; E496-Q499 PolarHBondContact O-N 3.2Å; E496-L500 HydrophobicContact CG-CD1 4.47Å; E496-L500 WeakPolarHBondContact O-CG 3.43Å; E496-L500 PolarHBondContact O-N 3.35Å
497V94Very high92.9Very high3 Ų360.8 Ų60.82%0.01835%0.345CS..Hα-helixtrans-65.7-40.5178.3172.10000111.4W415 F443 F463 L488 K493 L494 Q499 L500 L501W415-V497 HydrophobicContact CH2-CG1 3.93Å; W415-V497 HydrophobicContact CZ2-CG1 4.33Å; W415-V497 HydrophobicContact CZ2-CG2 4.15Å; F443-V497 HydrophobicContact CE1-CG1 3.82Å; F443-V497 HydrophobicContact CZ-CG1 3.87Å; F463-V497 HydrophobicContact CD2-CG1 4.48Å; F463-V497 HydrophobicContact CE1-CB 4.22Å; F463-V497 HydrophobicContact CE1-CG1 4.35Å; F463-V497 HydrophobicContact CE1-CG2 4.33Å; F463-V497 HydrophobicContact CE2-CB 4.33Å; F463-V497 HydrophobicContact CE2-CG1 4.26Å; F463-V497 HydrophobicContact CE2-CG2 3.72Å; F463-V497 HydrophobicContact CZ-CB 3.92Å; F463-V497 HydrophobicContact CZ-CG1 4.2Å; F463-V497 HydrophobicContact CZ-CG2 3.53Å; L488-V497 HydrophobicContact CD1-CG1 4.46Å; L488-V497 HydrophobicContact CD2-CG1 4.18Å; K493-V497 HydrophobicContact CB-CG2 4.38Å; K493-V497 PolarHBondContact O-N 3.36Å; L494-V497 PolarHBondContact O-N 3.17Å; V497-Q499 VanDerWaalsContact C-N 3.31Å; V497-Q499 PolarHBondContact O-N 3.17Å; V497-L500 PolarHBondContact O-N 2.83Å; V497-L501 HydrophobicContact CG1-CD1 3.87Å; V497-L501 HydrophobicContact CG1-CG 4.38Å; V497-L501 WeakPolarHBondContact O-CB 3.3Å; V497-L501 WeakPolarHBondContact O-CG 3.27Å; V497-L501 PolarHBondContact O-N 2.9Å
498Q95.1Very high92.9Very high56 Ų5661.4 Ų61.426%0.26235%0.348SS..Hα-helixtrans-58.1-45.2173.8-176.4-178.13.100111.2L488 L494 L501 T502 I508 T510L488-Q498 HydrophobicContact CD2-CB 3.85Å; L494-Q498 WeakPolarHBondContact O-CB 3.43Å; L494-Q498 PolarHBondContact O-N 3.02Å; Q498-L501 PolarHBondContact O-N 3.35Å; Q498-T502 WeakPolarHBondContact O-CB 3.17Å; Q498-T502 PolarHBondContact O-N 2.94Å; Q498-T502 PolarHBondContact O-OG1 3.07Å; Q498-I508 HydrophobicContact CG-CG2 4.18Å; Q498-T510 HydrophobicContact CG-CG2 4.36Å; Q498-T510 VanDerWaalsContact OE1-CG2 3.28Å
499Q94.1Very high92.8Very high109 Ų10964 Ų6451%0.50937%0.369SS..Hα-helixtrans-64.9-42.9179-173.860.561.900111.7A495 E496 V497 T502 N503A495-Q499 WeakPolarHBondContact O-CB 3.24Å; A495-Q499 PolarHBondContact O-N 3.28Å; E496-Q499 PolarHBondContact O-N 3.2Å; V497-Q499 VanDerWaalsContact C-N 3.31Å; V497-Q499 PolarHBondContact O-N 3.17Å; Q499-T502 PolarHBondContact O-N 3.39Å; Q499-N503 PolarHBondContact NE2-OD1 2.89Å; Q499-N503 PolarHBondContact O-N 3.23Å; Q499-N503 VanDerWaalsContact O-N 3.1Å; Q499-N503 PolarHBondContact O-ND2 3.04Å; Q499-N503 PolarHBondContact O-OD1 3.3Å
500L93.5Very high92.8Very high79 Ų7967 Ų6741%0.41439%0.388SS..Hα-helixtrans-61-45.4176.5-72.9170.6000112W415 E496 V497 N503W415-L500 HydrophobicContact CH2-CB 4.05Å; W415-L500 HydrophobicContact CH2-CD1 4.2Å; W415-L500 HydrophobicContact CZ2-CB 4.45Å; W415-L500 HydrophobicContact CZ2-CD1 3.76Å; E496-L500 HydrophobicContact CG-CD1 4.47Å; E496-L500 WeakPolarHBondContact O-CG 3.43Å; E496-L500 PolarHBondContact O-N 3.35Å; V497-L500 PolarHBondContact O-N 2.83Å; L500-N503 WeakPolarHBondContact O-CB 3.39Å; L500-N503 PolarHBondContact O-N 3.49Å
501L93Very high92.9Very high10 Ų1067.7 Ų67.75%0.05239%0.387CS..Hα-helixtrans-66.1-38.5177.1-71.7170000112.1W415 L465 L488 V497 Q498 N503 L504 I508W415-L501 HydrophobicContact CH2-CD2 4.43Å; W415-L501 HydrophobicContact CH2-CG 4.3Å; W415-L501 HydrophobicContact CZ3-CD2 3.83Å; W415-L501 HydrophobicContact CZ3-CG 4.16Å; L465-L501 HydrophobicContact CD1-CD1 3.85Å; L465-L501 HydrophobicContact CD2-CD1 4.01Å; L465-L501 HydrophobicContact CD2-CD2 3.94Å; L488-L501 HydrophobicContact CD1-CD1 4.07Å; L488-L501 HydrophobicContact CD2-CD1 4.12Å; V497-L501 HydrophobicContact CG1-CD1 3.87Å; V497-L501 HydrophobicContact CG1-CG 4.38Å; V497-L501 WeakPolarHBondContact O-CB 3.3Å; V497-L501 WeakPolarHBondContact O-CG 3.27Å; V497-L501 PolarHBondContact O-N 2.9Å; Q498-L501 PolarHBondContact O-N 3.35Å; L501-N503 PolarHBondContact O-N 3.23Å; L501-L504 HydrophobicContact CD2-CD1 4.14Å; L501-L504 WeakPolarHBondContact O-CB 3.15Å; L501-L504 PolarHBondContact O-N 2.91Å; L501-L504 VanDerWaalsContact O-N 3.07Å; L501-I508 HydrophobicContact CB-CD1 4.16Å; L501-I508 HydrophobicContact CB-CG1 3.97Å
502T92.4Very high93.5Very high57 Ų5766.3 Ų66.335%0.3538%0.38SS..Hα-helixtrans-62.1-33.8176.5-57.20000111.5Q498 Q499 L504 G505Q498-T502 WeakPolarHBondContact O-CB 3.17Å; Q498-T502 PolarHBondContact O-N 2.94Å; Q498-T502 PolarHBondContact O-OG1 3.07Å; Q499-T502 PolarHBondContact O-N 3.39Å; T502-L504 PolarHBondContact O-N 3.34Å; T502-G505 PolarHBondContact O-N 2.8Å; T502-G505 VanDerWaalsContact O-N 3.1Å
503N92.9Very high94Very high111 Ų11164 Ų6459%0.59438%0.376SS*.THydrogen-bonded Turntrans-66.6-15177-63.7-15.6000113.5Q499 L500 L501 G505Q499-N503 PolarHBondContact NE2-OD1 2.89Å; Q499-N503 PolarHBondContact O-N 3.23Å; Q499-N503 VanDerWaalsContact O-N 3.1Å; Q499-N503 PolarHBondContact O-ND2 3.04Å; Q499-N503 PolarHBondContact O-OD1 3.3Å; L500-N503 WeakPolarHBondContact O-CB 3.39Å; L500-N503 PolarHBondContact O-N 3.49Å; L501-N503 PolarHBondContact O-N 3.23Å; N503-G505 VanDerWaalsContact C-N 3.26Å
504L90.3Very high94.3Very high131 Ų13165.9 Ų65.969%0.68639%0.386SS*.THydrogen-bonded Turntrans-77-12.1174.3-58.7176.5000112.8L501 T502L501-L504 HydrophobicContact CD2-CD1 4.14Å; L501-L504 WeakPolarHBondContact O-CB 3.15Å; L501-L504 PolarHBondContact O-N 2.91Å; L501-L504 VanDerWaalsContact O-N 3.07Å; T502-L504 PolarHBondContact O-N 3.34Å
505G91.6Very high94.4Very high60 Ų6066.9 Ų66.962%0.61939%0.39SS*.SBendtrans102.5-17.9173.900000115.1T502 N503T502-G505 PolarHBondContact O-N 2.8Å; T502-G505 VanDerWaalsContact O-N 3.1Å; N503-G505 VanDerWaalsContact C-N 3.26Å
506N94.6Very high94.5Very high29 Ų2963.3 Ų63.316%0.15536%0.36CS..SBendtrans-72.2144.5175.6-69.891000111.9L481 A482 V484 F486 I508L481-N506 PolarHBondContact O-ND2 3.42Å; A482-N506 PolarHBondContact O-ND2 2.85Å; V484-N506 PolarHBondContact O-ND2 2.89Å; F486-N506 HydrophobicContact CD2-CB 3.89Å; F486-N506 HydrophobicContact CE2-CB 3.96Å; N506-I508 HydrophobicContact CB-CD1 4.24Å; N506-I508 WeakPolarHBondContact O-CG1 3.24Å; N506-I508 PolarHBondContact O-N 3.38Å
507P94.2Very high94.6Very high73 Ų7364.1 Ų64.147%0.47437%0.366SS..  trans-65.9122.7171.3-1931.4000111.5P485 F486P485-P507 CarbonylContact C-O 3.32Å; P485-P507 WeakPolarHBondContact CA-O 3.22Å; P485-P507 HydrophobicContact CB-CB 4.3Å; F486-P507 PolarHBondContact N-O 2.73Å
508I96.3Very high94.7Very high26 Ų2672.2 Ų72.213%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-118.4127.2179.4-48.1-60.3000110.6F486 L488 Q498 L501 N506F486-I508 HydrophobicContact CB-CD1 3.68Å; F486-I508 HydrophobicContact CD2-CD1 4.1Å; F486-I508 HydrophobicContact CG-CD1 4.17Å; F486-I508 WeakPolarHBondContact O-CA 3.12Å; L488-I508 HydrophobicContact CB-CG2 4.02Å; Q498-I508 HydrophobicContact CG-CG2 4.18Å; L501-I508 HydrophobicContact CB-CD1 4.16Å; L501-I508 HydrophobicContact CB-CG1 3.97Å; N506-I508 HydrophobicContact CB-CD1 4.24Å; N506-I508 WeakPolarHBondContact O-CG1 3.24Å; N506-I508 PolarHBondContact O-N 3.38Å
509A96Very high94.8Very high54 Ų5471 Ų7145%0.44639%0.39SS..EExtended strand (participates in β ladder)trans-121.3143171.600000111.3F486 T487 L488F486-A509 PolarHBondContact O-N 3.17Å; T487-A509 CarbonylContact C-O 3.37Å; T487-A509 VanDerWaalsContact CA-O 3.25Å; T487-A509 WeakPolarHBondContact CA-O 3.37Å; L488-A509 PolarHBondContact N-O 3.1Å
510T97Very high94.9Very high71 Ų7168.8 Ų68.844%0.43638%0.379SS..EExtended strand (participates in β ladder)trans-84.7145.4173.649.30000111.5L488 L494 Q498L488-T510 CarbonylContact O-C 3.5Å; L488-T510 WeakPolarHBondContact O-CA 3.46Å; L494-T510 HydrophobicContact CD1-CG2 4.12Å; L494-T510 HydrophobicContact CD2-CG2 4.13Å; L494-T510 HydrophobicContact CG-CG2 4.16Å; Q498-T510 HydrophobicContact CG-CG2 4.36Å; Q498-T510 VanDerWaalsContact OE1-CG2 3.28Å
511I96.4Very high95Very high34 Ų3467.1 Ų67.117%0.17438%0.377CS..  trans-133.3142.9177.6-168.6170.7000111.6L488 E489 E515 K516 Y519L488-I511 PolarHBondContact O-N 3.29Å; E489-I511 HydrophobicContact CB-CG2 3.84Å; E489-I511 WeakPolarHBondContact CB-O 3.31Å; E489-I511 WeakPolarHBondContact CG-O 3.32Å; I511-E515 HydrophobicContact CD1-CB 4.28Å; I511-E515 HydrophobicContact CG1-CB 4.18Å; I511-K516 HydrophobicContact CG2-CG 4.36Å; I511-Y519 HydrophobicContact CD1-CD1 3.87Å; I511-Y519 HydrophobicContact CD1-CD2 3.91Å; I511-Y519 HydrophobicContact CD1-CG 3.39Å
512A95.6Very high95.1Very high37 Ų3769.4 Ų69.431%0.30640%0.398SS..  trans-70.4140174.600000111.1E514 E515A512-E514 VanDerWaalsContact C-N 3.26Å; A512-E514 HydrophobicContact CB-CG 4.38Å; A512-E514 PolarHBondContact O-N 3.02Å; A512-E515 HydrophobicContact CB-CG 4.34Å; A512-E515 PolarHBondContact O-N 3.47Å
513P95.2Very high95.3Very high62 Ų6267.9 Ų67.940%0.40339%0.389SS..G310 helixtrans-59.5-34.9-175.921.6-30.9000113.2E489 E515 K516E489-P513 HydrophobicContact CG-CB 4.05Å; P513-E515 VanDerWaalsContact C-N 3.3Å; P513-E515 PolarHBondContact O-N 3.48Å; P513-K516 WeakPolarHBondContact O-CB 3.4Å; P513-K516 WeakPolarHBondContact O-CG 3.33Å; P513-K516 PolarHBondContact O-N 2.81Å
514E95.9Very high95.4Very high145 Ų14564.3 Ų64.368%0.67837%0.371SS*.G310 helixtrans-69.3-23.4177.761.6-88.4-155.800113.9A512A512-E514 VanDerWaalsContact C-N 3.26Å; A512-E514 HydrophobicContact CB-CG 4.38Å; A512-E514 PolarHBondContact O-N 3.02Å
515E96.9Very high95.6Very high69 Ų6964.8 Ų64.832%0.32237%0.368SS..G310 helixtrans-88.5-10.2-179.4-70.2-63.7153.400112.6I511 A512 P513 I517 R518 Y519I511-E515 HydrophobicContact CD1-CB 4.28Å; I511-E515 HydrophobicContact CG1-CB 4.18Å; A512-E515 HydrophobicContact CB-CG 4.34Å; A512-E515 PolarHBondContact O-N 3.47Å; P513-E515 VanDerWaalsContact C-N 3.3Å; P513-E515 PolarHBondContact O-N 3.48Å; E515-I517 VanDerWaalsContact C-N 3.29Å; E515-I517 PolarHBondContact O-N 2.71Å; E515-R518 VanDerWaalsContact CD-NH1 3.27Å; E515-R518 PolarHBondContact O-N 2.81Å; E515-R518 VanDerWaalsContact O-N 3.08Å; E515-R518 IonicContact OE1-CZ 3.97Å; E515-R518 IonicContact OE1-NH1 3.43Å; E515-R518 PolarHBondContact OE1-NH1 3.38Å; E515-R518 WeakPolarHBondContact OE2-CD 3.36Å; E515-R518 IonicContact OE2-CZ 2.76Å; E515-R518 IonicContact OE2-NE 2.95Å; E515-R518 IonicContact OE2-NH1 2.72Å; E515-R518 PolarHBondContact OE2-NH1 2.96Å; E515-Y519 WeakPolarHBondContact O-CB 3.39Å; E515-Y519 PolarHBondContact O-N 3.24Å
516K95.2Very high95.7Very high1 Ų167.5 Ų67.50%0.00437%0.372CS..Hα-helixtrans-55.8-39.1-175.2-73.2-153.267.2166.10114.2S446 G447 K449 S464 E489 I511 P513 Y519 H520S446-K516 PolarHBondContact O-NZ 2.81Å; G447-K516 WeakPolarHBondContact O-CE 3.32Å; K449-K516 WeakPolarHBondContact O-CD 3.37Å; K449-K516 WeakPolarHBondContact O-CE 3.24Å; K449-K516 PolarHBondContact O-NZ 2.93Å; S464-K516 PolarHBondContact OG-NZ 3.28Å; E489-K516 HydrophobicContact CB-CD 4.18Å; E489-K516 HydrophobicContact CG-CD 4.18Å; I511-K516 HydrophobicContact CG2-CG 4.36Å; P513-K516 WeakPolarHBondContact O-CB 3.4Å; P513-K516 WeakPolarHBondContact O-CG 3.33Å; P513-K516 PolarHBondContact O-N 2.81Å; K516-Y519 PolarHBondContact O-N 2.82Å; K516-H520 WeakPolarHBondContact O-CB 3.12Å; K516-H520 PolarHBondContact O-N 2.81Å
517I95.9Very high95.6Very high129 Ų12967.8 Ų67.866%0.66238%0.377SS*.Hα-helixtrans-65.6-46.3178.8-62.6175.5000110.4E515 H520 A521E515-I517 VanDerWaalsContact C-N 3.29Å; E515-I517 PolarHBondContact O-N 2.71Å; I517-H520 PolarHBondContact O-N 3.22Å; I517-A521 WeakPolarHBondContact O-CB 3.39Å; I517-A521 PolarHBondContact O-N 2.85Å
518R97Very high95.6Very high173 Ų17368.9 Ų68.965%0.65338%0.379SS*.Hα-helixtrans-65.1-43.3178.5-176.9-174.5-65.9153.7-2.1111E515 A521 A522E515-R518 VanDerWaalsContact CD-NH1 3.27Å; E515-R518 PolarHBondContact O-N 2.81Å; E515-R518 VanDerWaalsContact O-N 3.08Å; E515-R518 IonicContact OE1-CZ 3.97Å; E515-R518 IonicContact OE1-NH1 3.43Å; E515-R518 PolarHBondContact OE1-NH1 3.38Å; E515-R518 WeakPolarHBondContact OE2-CD 3.36Å; E515-R518 IonicContact OE2-CZ 2.76Å; E515-R518 IonicContact OE2-NE 2.95Å; E515-R518 IonicContact OE2-NH1 2.72Å; E515-R518 PolarHBondContact OE2-NH1 2.96Å; R518-A521 PolarHBondContact O-N 3.25Å; R518-A522 PolarHBondContact O-N 3.25Å
519Y96.6Very high95.6Very high32 Ų3271.5 Ų71.513%0.12539%0.392CS..Hα-helixtrans-59.4-49.5175.7155.2-101.7000112.3H466 L468 T487 I511 E515 K516 A521 A522 C523H466-Y519 AromaticContact ND1-CE1 3.44Å; H466-Y519 WeakPolarHBondContact ND1-CE1 3.38Å; H466-Y519 AromaticContact ND1-CZ 3.5Å; H466-Y519 PolarHBondContact ND1-OH 3.35Å; L468-Y519 WeakPolarHBondContact CD1-OH 3.33Å; L468-Y519 HydrophobicContact CD2-CE2 4.27Å; L468-Y519 HydrophobicContact CG-CE2 4.49Å; L468-Y519 WeakPolarHBondContact CG-OH 3.43Å; T487-Y519 HydrophobicContact CG2-CD2 4.26Å; T487-Y519 HydrophobicContact CG2-CE1 4.25Å; T487-Y519 HydrophobicContact CG2-CE2 3.48Å; T487-Y519 VanDerWaalsContact CG2-CE2 3.48Å; T487-Y519 VanDerWaalsContact CG2-CZ 3.46Å; T487-Y519 VanDerWaalsContact CG2-OH 3.31Å; T487-Y519 WeakPolarHBondContact CG2-OH 3.28Å; T487-Y519 WeakPolarHBondContact OG1-CE1 3.43Å; T487-Y519 PolarHBondContact OG1-OH 3.27Å; I511-Y519 HydrophobicContact CD1-CD1 3.87Å; I511-Y519 HydrophobicContact CD1-CD2 3.91Å; I511-Y519 HydrophobicContact CD1-CG 3.39Å; E515-Y519 WeakPolarHBondContact O-CB 3.39Å; E515-Y519 PolarHBondContact O-N 3.24Å; K516-Y519 PolarHBondContact O-N 2.82Å; Y519-A521 VanDerWaalsContact C-N 3.3Å; Y519-A521 PolarHBondContact O-N 3.19Å; Y519-A522 WeakPolarHBondContact O-CA 3.42Å; Y519-A522 WeakPolarHBondContact O-CB 3.24Å; Y519-A522 PolarHBondContact O-N 2.7Å; Y519-C523 PolarHBondContact O-N 3.22Å; Y519-C523 PolarHBondContact O-SG 2.95Å
520H95.7Very high95.5Very high61 Ų6170.5 Ų70.528%0.28238%0.38SS..Hα-helixtrans-63-40.4179.2-174.655000111.4A448 K516 I517 A522 C523 V524A448-H520 HydrophobicContact CB-CB 4.24Å; K516-H520 WeakPolarHBondContact O-CB 3.12Å; K516-H520 PolarHBondContact O-N 2.81Å; I517-H520 PolarHBondContact O-N 3.22Å; H520-A522 VanDerWaalsContact C-N 3.28Å; H520-A522 PolarHBondContact O-N 2.86Å; H520-C523 WeakPolarHBondContact O-CB 3.36Å; H520-C523 PolarHBondContact O-N 3.44Å; H520-C523 VanDerWaalsContact O-N 3.13Å; H520-V524 WeakPolarHBondContact O-CG2 3.41Å; H520-V524 PolarHBondContact O-N 3.47Å
521A96.1Very high95.5Very high45 Ų4571.8 Ų71.837%0.37239%0.388SS..Hα-helixtrans-58.5-39.9172.100000111.8I517 R518 Y519 C523 V524 F525I517-A521 WeakPolarHBondContact O-CB 3.39Å; I517-A521 PolarHBondContact O-N 2.85Å; R518-A521 PolarHBondContact O-N 3.25Å; Y519-A521 VanDerWaalsContact C-N 3.3Å; Y519-A521 PolarHBondContact O-N 3.19Å; A521-C523 PolarHBondContact O-N 3.45Å; A521-V524 WeakPolarHBondContact O-CB 3.18Å; A521-V524 PolarHBondContact O-N 3.38Å; A521-F525 VanDerWaalsContact O-CD2 3.23Å; A521-F525 WeakPolarHBondContact O-CD2 3.3Å; A521-F525 PolarHBondContact O-N 3.35Å
522A96.3Very high95.5Very high58 Ų5871.9 Ų71.948%0.47940%0.397SS..Hα-helixtrans-63.3-39.1174.500000112.6R518 Y519 H520 V524 F525R518-A522 PolarHBondContact O-N 3.25Å; Y519-A522 WeakPolarHBondContact O-CA 3.42Å; Y519-A522 WeakPolarHBondContact O-CB 3.24Å; Y519-A522 PolarHBondContact O-N 2.7Å; H520-A522 VanDerWaalsContact C-N 3.28Å; H520-A522 PolarHBondContact O-N 2.86Å; A522-V524 VanDerWaalsContact C-N 3.32Å; A522-V524 PolarHBondContact O-N 3.49Å; A522-F525 WeakPolarHBondContact O-CB 3.3Å; A522-F525 PolarHBondContact O-N 3.17Å
523C95.9Very high95.5Very high24 Ų2473.4 Ų73.416%0.16240%0.4CS..Hα-helixtrans-61.1-41.4172.4-61.30000111.8Y519 H520 A521 F525 V526 S527Y519-C523 PolarHBondContact O-N 3.22Å; Y519-C523 PolarHBondContact O-SG 2.95Å; H520-C523 WeakPolarHBondContact O-CB 3.36Å; H520-C523 PolarHBondContact O-N 3.44Å; H520-C523 VanDerWaalsContact O-N 3.13Å; A521-C523 PolarHBondContact O-N 3.45Å; C523-F525 VanDerWaalsContact C-N 3.25Å; C523-F525 PolarHBondContact O-N 2.94Å; C523-V526 WeakPolarHBondContact O-CG1 3.1Å; C523-V526 PolarHBondContact O-N 2.97Å; C523-S527 WeakPolarHBondContact O-CB 3.47Å; C523-S527 PolarHBondContact O-N 2.75Å
524V95Very high95.6Very high37 Ų3771.5 Ų71.522%0.22439%0.387CS..Hα-helixtrans-59.2-35.1177.81640000111.9H520 A521 A522 V526 S527 N528 L529H520-V524 WeakPolarHBondContact O-CG2 3.41Å; H520-V524 PolarHBondContact O-N 3.47Å; A521-V524 WeakPolarHBondContact O-CB 3.18Å; A521-V524 PolarHBondContact O-N 3.38Å; A522-V524 VanDerWaalsContact C-N 3.32Å; A522-V524 PolarHBondContact O-N 3.49Å; V524-V526 PolarHBondContact O-N 2.97Å; V524-S527 CarbonylContact O-C 3.53Å; V524-S527 PolarHBondContact O-N 2.65Å; V524-N528 HydrophobicContact CG1-CB 4.28Å; V524-N528 PolarHBondContact O-N 2.8Å; V524-N528 VanDerWaalsContact O-N 3.08Å; V524-L529 HydrophobicContact CG1-CD1 4.46Å; V524-L529 HydrophobicContact CG1-CD2 4.19Å; V524-L529 HydrophobicContact CG1-CG 3.88Å; V524-L529 PolarHBondContact O-N 3.04Å
525F95.2Very high95.6Very high140 Ų14066.7 Ų66.761%0.61437%0.372SS*.Hα-helixtrans-61.5-40.3177.5-88.8-85.6000113.9A521 A522 C523 L529A521-F525 VanDerWaalsContact O-CD2 3.23Å; A521-F525 WeakPolarHBondContact O-CD2 3.3Å; A521-F525 PolarHBondContact O-N 3.35Å; A522-F525 WeakPolarHBondContact O-CB 3.3Å; A522-F525 PolarHBondContact O-N 3.17Å; C523-F525 VanDerWaalsContact C-N 3.25Å; C523-F525 PolarHBondContact O-N 2.94Å; F525-L529 HydrophobicContact CD1-CD1 3.69Å; F525-L529 HydrophobicContact CD2-CD1 4.48Å; F525-L529 HydrophobicContact CE1-CD1 3.87Å; F525-L529 HydrophobicContact CG-CD1 4.01Å; F525-L529 HydrophobicContact CZ-CD1 4.32Å
526V92.5Very high95.6Very high118 Ų11864.8 Ų64.872%0.71537%0.366SS*.Hα-helixtrans-92.7-11-178.268.50000112.8C523 V524 V530C523-V526 WeakPolarHBondContact O-CG1 3.1Å; C523-V526 PolarHBondContact O-N 2.97Å; V524-V526 PolarHBondContact O-N 2.97Å; V526-V530 WeakPolarHBondContact O-CG2 3.36Å
527S93Very high95.7Very high35 Ų3566.4 Ų66.425%0.24538%0.379CS..THydrogen-bonded Turntrans-110.4-90.2177.7179.70000111.4A470 C523 V524 L529 V530A470-S527 WeakPolarHBondContact CB-OG 3.42Å; C523-S527 WeakPolarHBondContact O-CB 3.47Å; C523-S527 PolarHBondContact O-N 2.75Å; V524-S527 CarbonylContact O-C 3.53Å; V524-S527 PolarHBondContact O-N 2.65Å; S527-L529 PolarHBondContact O-N 3Å; S527-V530 WeakPolarHBondContact O-CB 3.14Å; S527-V530 PolarHBondContact O-N 3.02Å; S527-V530 VanDerWaalsContact O-N 3.14Å
528N93.8Very high95.8Very high96 Ų9661.5 Ų61.551%0.51335%0.353SS..Hα-helixtrans-63.9-37-167-48.292.6000113.7V524 V530 V531 G532V524-N528 HydrophobicContact CG1-CB 4.28Å; V524-N528 PolarHBondContact O-N 2.8Å; V524-N528 VanDerWaalsContact O-N 3.08Å; N528-V530 PolarHBondContact O-N 2.95Å; N528-V531 WeakPolarHBondContact O-CB 3.35Å; N528-V531 PolarHBondContact O-N 2.86Å; N528-V531 VanDerWaalsContact O-N 3.12Å; N528-G532 PolarHBondContact O-N 3.13Å
529L95.9Very high95.9Very high80 Ų8058.7 Ų58.742%0.41935%0.347SS..Hα-helixtrans-67.4-25.6-179.6-63.2-171.1000112.7V524 F525 S527 V531 G532 L533V524-L529 HydrophobicContact CG1-CD1 4.46Å; V524-L529 HydrophobicContact CG1-CD2 4.19Å; V524-L529 HydrophobicContact CG1-CG 3.88Å; V524-L529 PolarHBondContact O-N 3.04Å; F525-L529 HydrophobicContact CD1-CD1 3.69Å; F525-L529 HydrophobicContact CD2-CD1 4.48Å; F525-L529 HydrophobicContact CE1-CD1 3.87Å; F525-L529 HydrophobicContact CG-CD1 4.01Å; F525-L529 HydrophobicContact CZ-CD1 4.32Å; S527-L529 PolarHBondContact O-N 3Å; L529-V531 VanDerWaalsContact C-N 3.27Å; L529-V531 PolarHBondContact O-N 2.87Å; L529-G532 PolarHBondContact O-N 3.36Å; L529-L533 WeakPolarHBondContact O-CG 3.12Å; L529-L533 PolarHBondContact O-N 2.91Å
530V95.5Very high95.9Very high33 Ų3359.4 Ų59.420%0.235%0.353CS..Hα-helixtrans-61.9-38.5173.5178.20000110.7V526 S527 N528 G532 L533 T534 F559V526-V530 WeakPolarHBondContact O-CG2 3.36Å; S527-V530 WeakPolarHBondContact O-CB 3.14Å; S527-V530 PolarHBondContact O-N 3.02Å; S527-V530 VanDerWaalsContact O-N 3.14Å; N528-V530 PolarHBondContact O-N 2.95Å; V530-G532 VanDerWaalsContact C-N 3.32Å; V530-G532 PolarHBondContact O-N 2.95Å; V530-L533 WeakPolarHBondContact O-CB 3.4Å; V530-L533 PolarHBondContact O-N 3.34Å; V530-L533 VanDerWaalsContact O-N 3.16Å; V530-T534 PolarHBondContact O-N 2.74Å; V530-T534 PolarHBondContact O-OG1 2.9Å; V530-F559 HydrophobicContact CG1-CD2 3.96Å; V530-F559 HydrophobicContact CG1-CE2 3.25Å; V530-F559 HydrophobicContact CG1-CZ 3.64Å
531V95.6Very high96Very high98 Ų9858.5 Ų58.559%0.59435%0.35SS*.Hα-helixtrans-61.9-42.1175.7-176.80000110.9N528 L529 L533 T534 A535N528-V531 WeakPolarHBondContact O-CB 3.35Å; N528-V531 PolarHBondContact O-N 2.86Å; N528-V531 VanDerWaalsContact O-N 3.12Å; L529-V531 VanDerWaalsContact C-N 3.27Å; L529-V531 PolarHBondContact O-N 2.87Å; V531-L533 VanDerWaalsContact C-N 3.33Å; V531-L533 PolarHBondContact O-N 3.38Å; V531-T534 PolarHBondContact O-N 3.49Å; V531-T534 PolarHBondContact O-OG1 3.24Å; V531-A535 WeakPolarHBondContact O-CB 3.11Å; V531-A535 PolarHBondContact O-N 3.06Å
532G95.9Very high96.1Very high36 Ų3658.8 Ų58.837%0.37135%0.345SS..Hα-helixtrans-61.5-40174.300000112.7N528 L529 V530 A535 T536N528-G532 PolarHBondContact O-N 3.13Å; L529-G532 PolarHBondContact O-N 3.36Å; V530-G532 VanDerWaalsContact C-N 3.32Å; V530-G532 PolarHBondContact O-N 2.95Å; G532-A535 PolarHBondContact O-N 3.25Å; G532-T536 WeakPolarHBondContact O-CB 3.47Å; G532-T536 PolarHBondContact O-N 2.96Å; G532-T536 PolarHBondContact O-OG1 2.79Å
533L96.2Very high96.1Very high70 Ų7062.2 Ų62.237%0.36636%0.355SS..Hα-helixtrans-65.7-42176.2-67.1173.1000112.5L529 V530 V531 T536 A537 I601 L605L529-L533 WeakPolarHBondContact O-CG 3.12Å; L529-L533 PolarHBondContact O-N 2.91Å; V530-L533 WeakPolarHBondContact O-CB 3.4Å; V530-L533 PolarHBondContact O-N 3.34Å; V530-L533 VanDerWaalsContact O-N 3.16Å; V531-L533 VanDerWaalsContact C-N 3.33Å; V531-L533 PolarHBondContact O-N 3.38Å; L533-T536 PolarHBondContact O-N 2.81Å; L533-A537 WeakPolarHBondContact O-CB 3.33Å; L533-A537 PolarHBondContact O-N 2.83Å; L533-I601 HydrophobicContact CD2-CG2 3.59Å; L533-L605 HydrophobicContact CD1-CD1 4.06Å; L533-L605 HydrophobicContact CD2-CD1 3.52Å; L533-L605 HydrophobicContact CG-CD1 4.44Å
534T96.9Very high96.2Very high22 Ų2265.7 Ų65.714%0.13538%0.379CS..Hα-helixtrans-70.6-35.3178.356.10000112V530 V531 A537 E538 W555V530-T534 PolarHBondContact O-N 2.74Å; V530-T534 PolarHBondContact O-OG1 2.9Å; V531-T534 PolarHBondContact O-N 3.49Å; V531-T534 PolarHBondContact O-OG1 3.24Å; T534-A537 PolarHBondContact O-N 3.49Å; T534-E538 PolarHBondContact O-N 3.11Å; T534-W555 HydrophobicContact CG2-CD2 4.34Å; T534-W555 HydrophobicContact CG2-CE3 3.58Å; T534-W555 HydrophobicContact CG2-CZ3 3.76Å
535A96.8Very high96.3Very high43 Ų4367.2 Ų67.236%0.35540%0.402SS..Hα-helixtrans-63.2-48173.200000111.4V531 G532 A537 E538 E539V531-A535 WeakPolarHBondContact O-CB 3.11Å; V531-A535 PolarHBondContact O-N 3.06Å; G532-A535 PolarHBondContact O-N 3.25Å; A535-A537 VanDerWaalsContact C-N 3.29Å; A535-A537 PolarHBondContact O-N 2.89Å; A535-E538 PolarHBondContact O-N 2.96Å; A535-E538 VanDerWaalsContact O-N 3.16Å; A535-E539 WeakPolarHBondContact O-CG 3.4Å; A535-E539 PolarHBondContact O-N 3.34Å
536T97.3Very high96.5Very high30 Ų3063.5 Ų63.518%0.18439%0.389CS..Hα-helixtrans-58.6-42.5175.4-52.90000110.9G532 L533 E539 L540 A598G532-T536 WeakPolarHBondContact O-CB 3.47Å; G532-T536 PolarHBondContact O-N 2.96Å; G532-T536 PolarHBondContact O-OG1 2.79Å; L533-T536 PolarHBondContact O-N 2.81Å; T536-E539 PolarHBondContact O-N 2.93Å; T536-L540 HydrophobicContact CG2-CD1 4.25Å; T536-L540 VanDerWaalsContact O-CG 3.29Å; T536-L540 WeakPolarHBondContact O-CG 3.31Å; T536-L540 PolarHBondContact O-N 2.89Å; T536-L540 VanDerWaalsContact O-N 3.09Å; T536-A598 HydrophobicContact CG2-CB 3.88Å
537A97.2Very high96.7Very high35 Ų3561.2 Ų61.229%0.28938%0.378SS..Hα-helixtrans-65.2-39.6177.400000112.7L533 T534 A535 L540 L541L533-A537 WeakPolarHBondContact O-CB 3.33Å; L533-A537 PolarHBondContact O-N 2.83Å; T534-A537 PolarHBondContact O-N 3.49Å; A535-A537 VanDerWaalsContact C-N 3.29Å; A535-A537 PolarHBondContact O-N 2.89Å; A537-L540 PolarHBondContact O-N 2.76Å; A537-L541 WeakPolarHBondContact O-CB 3.38Å; A537-L541 WeakPolarHBondContact O-CD1 3.5Å; A537-L541 VanDerWaalsContact O-CG 3.23Å; A537-L541 WeakPolarHBondContact O-CG 3.46Å; A537-L541 PolarHBondContact O-N 3.04Å
538E98Very high96.9Very high26 Ų2666.6 Ų66.612%0.12139%0.393CS..Hα-helixtrans-63-44.9176.1-174.8167.8164.300111.3T534 A535 L541 L542 R548 A551 Q552 W555T534-E538 PolarHBondContact O-N 3.11Å; A535-E538 PolarHBondContact O-N 2.96Å; A535-E538 VanDerWaalsContact O-N 3.16Å; E538-L541 PolarHBondContact O-N 2.76Å; E538-L542 HydrophobicContact CG-CD1 4.22Å; E538-L542 VanDerWaalsContact O-CG 3.26Å; E538-L542 WeakPolarHBondContact O-CG 3.33Å; E538-L542 PolarHBondContact O-N 3.41Å; E538-R548 IonicContact OE1-NH1 3.69Å; E538-R548 PolarHBondContact OE1-NH1 2.99Å; E538-A551 HydrophobicContact CG-CB 4.37Å; E538-Q552 WeakPolarHBondContact OE1-CG 3.45Å; E538-Q552 PolarHBondContact OE1-NE2 3.22Å; E538-Q552 WeakPolarHBondContact OE2-CG 3.23Å; E538-W555 PolarHBondContact OE2-NE1 3.36Å
539E97.6Very high97.1Very high113 Ų11369.3 Ų69.353%0.52840%0.402SS..Hα-helixtrans-58.7-48.2175.9-71169.2-176.300111.8A535 T536 L541 L542 D543A535-E539 WeakPolarHBondContact O-CG 3.4Å; A535-E539 PolarHBondContact O-N 3.34Å; T536-E539 PolarHBondContact O-N 2.93Å; E539-L541 VanDerWaalsContact C-N 3.33Å; E539-L541 PolarHBondContact O-N 2.8Å; E539-L542 WeakPolarHBondContact O-CB 3.4Å; E539-L542 PolarHBondContact O-N 2.97Å; E539-L542 VanDerWaalsContact O-N 3.17Å; E539-D543 PolarHBondContact O-N 2.84Å
540L98Very high97.2Very high47 Ų4770.9 Ų70.925%0.24641%0.406CS..Hα-helixtrans-62.4-37.9177.6-67.5172.4000112.9T536 A537 D543 C544 L594 P595 A598T536-L540 HydrophobicContact CG2-CD1 4.25Å; T536-L540 VanDerWaalsContact O-CG 3.29Å; T536-L540 WeakPolarHBondContact O-CG 3.31Å; T536-L540 PolarHBondContact O-N 2.89Å; T536-L540 VanDerWaalsContact O-N 3.09Å; A537-L540 PolarHBondContact O-N 2.76Å; L540-D543 PolarHBondContact O-N 3.47Å; L540-C544 PolarHBondContact O-N 3.5Å; L540-C544 PolarHBondContact O-SG 2.91Å; L540-L594 HydrophobicContact CD1-CD2 3.62Å; L540-L594 HydrophobicContact CD2-CD2 3.92Å; L540-L594 HydrophobicContact CG-CD2 4.45Å; L540-P595 VanDerWaalsContact CD2-CD 3.45Å; L540-P595 HydrophobicContact CD2-CG 3.8Å; L540-A598 HydrophobicContact CD1-CB 4.34Å; L540-A598 HydrophobicContact CD2-CB 4.39Å
541L98.1Very high97.3Very high43 Ų4369.3 Ų69.323%0.22540%0.397CS..Hα-helixtrans-66.9-38.8176.2-73.2165.8000111.3A537 E538 E539 C544 L546 A551 A554 W555A537-L541 WeakPolarHBondContact O-CB 3.38Å; A537-L541 WeakPolarHBondContact O-CD1 3.5Å; A537-L541 VanDerWaalsContact O-CG 3.23Å; A537-L541 WeakPolarHBondContact O-CG 3.46Å; A537-L541 PolarHBondContact O-N 3.04Å; E538-L541 PolarHBondContact O-N 2.76Å; E539-L541 VanDerWaalsContact C-N 3.33Å; E539-L541 PolarHBondContact O-N 2.8Å; L541-C544 WeakPolarHBondContact O-CB 3.38Å; L541-C544 PolarHBondContact O-N 3.03Å; L541-L546 HydrophobicContact CB-CD1 4.12Å; L541-L546 HydrophobicContact CD2-CD1 3.59Å; L541-L546 HydrophobicContact CG-CD1 4.47Å; L541-L546 VanDerWaalsContact O-CB 3.26Å; L541-L546 WeakPolarHBondContact O-CB 3.48Å; L541-L546 WeakPolarHBondContact O-CG 3.36Å; L541-L546 PolarHBondContact O-N 2.97Å; L541-A551 HydrophobicContact CB-CB 3.65Å; L541-A551 HydrophobicContact CD1-CB 4.16Å; L541-A554 HydrophobicContact CD1-CB 4.28Å; L541-W555 HydrophobicContact CD1-CB 4.4Å
542L98Very high97.5Very high51 Ų5167 Ų6727%0.26738%0.379SS..Hα-helixtrans-65.5-40.4174.4-70172.6000111.8E538 E539 C544 G545 L546 R548 A551E538-L542 HydrophobicContact CG-CD1 4.22Å; E538-L542 VanDerWaalsContact O-CG 3.26Å; E538-L542 WeakPolarHBondContact O-CG 3.33Å; E538-L542 PolarHBondContact O-N 3.41Å; E539-L542 WeakPolarHBondContact O-CB 3.4Å; E539-L542 PolarHBondContact O-N 2.97Å; E539-L542 VanDerWaalsContact O-N 3.17Å; L542-C544 PolarHBondContact O-N 3.33Å; L542-G545 WeakPolarHBondContact O-CA 3.37Å; L542-G545 PolarHBondContact O-N 2.94Å; L542-L546 WeakPolarHBondContact CD2-O 3.42Å; L542-R548 HydrophobicContact CD2-CB 4.03Å; L542-A551 HydrophobicContact CD2-CB 4.43Å
543D96.8Very high97.6Very high129 Ų12968.9 Ų68.969%0.6938%0.384SS*.Hα-helixtrans-64.1-26.4176.4-74.1-14.2000112.5E539 L540 G545E539-D543 PolarHBondContact O-N 2.84Å; L540-D543 PolarHBondContact O-N 3.47Å; D543-G545 PolarHBondContact O-N 3.25Å
544C97.2Very high97.6Very high98 Ų9866.7 Ų66.766%0.66238%0.375SS*.THydrogen-bonded Turntrans-72.91.4170.5-650000113.3L540 L541 L542 L546L540-C544 PolarHBondContact O-N 3.5Å; L540-C544 PolarHBondContact O-SG 2.91Å; L541-C544 WeakPolarHBondContact O-CB 3.38Å; L541-C544 PolarHBondContact O-N 3.03Å; L542-C544 PolarHBondContact O-N 3.33Å; C544-L546 HydrophobicContact CB-CD1 4.4Å; C544-L546 HydrophobicContact CB-CG 4.31Å
545G97.4Very high97.6Very high69 Ų6967.8 Ų67.871%0.71138%0.377SS*.THydrogen-bonded Turntrans80.213.9-178.700000114.3L542 D543L542-G545 WeakPolarHBondContact O-CA 3.37Å; L542-G545 PolarHBondContact O-N 2.94Å; D543-G545 PolarHBondContact O-N 3.25Å
546L98.1Very high97.6Very high62 Ų6271.3 Ų71.333%0.32538%0.381SS..  trans-77.6149.2177.2-57.3170.4000110.4L541 L542 C544 F550L541-L546 HydrophobicContact CB-CD1 4.12Å; L541-L546 HydrophobicContact CD2-CD1 3.59Å; L541-L546 HydrophobicContact CG-CD1 4.47Å; L541-L546 VanDerWaalsContact O-CB 3.26Å; L541-L546 WeakPolarHBondContact O-CB 3.48Å; L541-L546 WeakPolarHBondContact O-CG 3.36Å; L541-L546 PolarHBondContact O-N 2.97Å; L542-L546 WeakPolarHBondContact CD2-O 3.42Å; C544-L546 HydrophobicContact CB-CD1 4.4Å; C544-L546 HydrophobicContact CB-CG 4.31Å; L546-F550 HydrophobicContact CB-CD1 4.08Å; L546-F550 HydrophobicContact CD1-CD1 3.89Å; L546-F550 HydrophobicContact CD1-CE1 3.87Å; L546-F550 HydrophobicContact CD2-CD1 4.07Å; L546-F550 HydrophobicContact CD2-CE1 4.15Å; L546-F550 HydrophobicContact CG-CD1 4.24Å
547S97.6Very high97.6Very high70 Ų7075.9 Ų75.949%0.4940%0.401SS..  trans-66.3150.5174.174.10000110.6E549 F550 A551S547-E549 VanDerWaalsContact C-N 3.25Å; S547-E549 PolarHBondContact O-N 3.47Å; S547-F550 PolarHBondContact O-N 3.28Å; S547-F550 VanDerWaalsContact O-N 3.16Å; S547-F550 WeakPolarHBondContact OG-CB 3.44Å; S547-F550 PolarHBondContact OG-N 3.36Å; S547-A551 WeakPolarHBondContact O-CB 3.29Å; S547-A551 PolarHBondContact O-N 2.84Å
548R97.5Very high97.6Very high147 Ų14780.4 Ų80.456%0.55542%0.419SS*.Hα-helixtrans-54.5-42.4174.2-176.3178-67.6-83.65.4112.5E538 L542 F550 A551 Q552E538-R548 IonicContact OE1-NH1 3.69Å; E538-R548 PolarHBondContact OE1-NH1 2.99Å; L542-R548 HydrophobicContact CD2-CB 4.03Å; R548-F550 PolarHBondContact O-N 3.34Å; R548-A551 PolarHBondContact O-N 3.22Å; R548-Q552 HydrophobicContact CG-CG 4.33Å; R548-Q552 WeakPolarHBondContact O-CB 3.48Å; R548-Q552 VanDerWaalsContact O-CG 3.29Å; R548-Q552 WeakPolarHBondContact O-CG 3.43Å; R548-Q552 PolarHBondContact O-N 3.47Å
549E97.9Very high97.6Very high153 Ų15383.4 Ų83.472%0.71543%0.432SS*.Hα-helixtrans-60-45.3178-175-177177.400112S547 T553S547-E549 VanDerWaalsContact C-N 3.25Å; S547-E549 PolarHBondContact O-N 3.47Å; E549-T553 WeakPolarHBondContact O-CB 3.25Å; E549-T553 PolarHBondContact O-N 3.25Å; E549-T553 PolarHBondContact O-OG1 3.09Å
550F98.2Very high97.5Very high114 Ų11482.1 Ų82.150%0.543%0.429SS..Hα-helixtrans-66.9-46.9176.8-177.9-88.6000111.3L546 S547 R548 Q552 T553 A554L546-F550 HydrophobicContact CB-CD1 4.08Å; L546-F550 HydrophobicContact CD1-CD1 3.89Å; L546-F550 HydrophobicContact CD1-CE1 3.87Å; L546-F550 HydrophobicContact CD2-CD1 4.07Å; L546-F550 HydrophobicContact CD2-CE1 4.15Å; L546-F550 HydrophobicContact CG-CD1 4.24Å; S547-F550 PolarHBondContact O-N 3.28Å; S547-F550 VanDerWaalsContact O-N 3.16Å; S547-F550 WeakPolarHBondContact OG-CB 3.44Å; S547-F550 PolarHBondContact OG-N 3.36Å; R548-F550 PolarHBondContact O-N 3.34Å; F550-Q552 VanDerWaalsContact C-N 3.31Å; F550-Q552 PolarHBondContact O-N 2.75Å; F550-T553 PolarHBondContact O-N 3.38Å; F550-A554 HydrophobicContact CE1-CB 4.28Å; F550-A554 WeakPolarHBondContact O-CB 3.36Å; F550-A554 PolarHBondContact O-N 3.33Å
551A98.1Very high97.4Very high0 Ų084.8 Ų84.80%044%0.439CS..Hα-helixtrans-55.8-46.6179.300000111.5E538 L541 L542 S547 R548 A554 W555E538-A551 HydrophobicContact CG-CB 4.37Å; L541-A551 HydrophobicContact CB-CB 3.65Å; L541-A551 HydrophobicContact CD1-CB 4.16Å; L542-A551 HydrophobicContact CD2-CB 4.43Å; S547-A551 WeakPolarHBondContact O-CB 3.29Å; S547-A551 PolarHBondContact O-N 2.84Å; R548-A551 PolarHBondContact O-N 3.22Å; A551-A554 PolarHBondContact O-N 2.89Å; A551-W555 PolarHBondContact O-N 3.47Å
552Q97.8Very high97.3Very high48 Ų4886.3 Ų86.322%0.22445%0.448CS..Hα-helixtrans-65.1-41.5177.3-72.9-175.13.100113.2E538 R548 F550 A554 R556E538-Q552 WeakPolarHBondContact OE1-CG 3.45Å; E538-Q552 PolarHBondContact OE1-NE2 3.22Å; E538-Q552 WeakPolarHBondContact OE2-CG 3.23Å; R548-Q552 HydrophobicContact CG-CG 4.33Å; R548-Q552 WeakPolarHBondContact O-CB 3.48Å; R548-Q552 VanDerWaalsContact O-CG 3.29Å; R548-Q552 WeakPolarHBondContact O-CG 3.43Å; R548-Q552 PolarHBondContact O-N 3.47Å; F550-Q552 VanDerWaalsContact C-N 3.31Å; F550-Q552 PolarHBondContact O-N 2.75Å; Q552-A554 VanDerWaalsContact C-N 3.33Å; Q552-R556 VanDerWaalsContact O-CB 3.27Å; Q552-R556 WeakPolarHBondContact O-CB 3.15Å; Q552-R556 WeakPolarHBondContact O-CD 3.28Å; Q552-R556 WeakPolarHBondContact O-CG 3.48Å; Q552-R556 PolarHBondContact O-N 2.91Å; Q552-R556 VanDerWaalsContact O-N 3.17Å; Q552-R556 VanDerWaalsContact OE1-NH2 3.09Å
553T98Very high97.1Very high77 Ų7785.3 Ų85.347%0.47245%0.447SS..Hα-helixtrans-63-43.2175.8-59.40000110.9E549 F550 Q557E549-T553 WeakPolarHBondContact O-CB 3.25Å; E549-T553 PolarHBondContact O-N 3.25Å; E549-T553 PolarHBondContact O-OG1 3.09Å; F550-T553 PolarHBondContact O-N 3.38Å; T553-Q557 WeakPolarHBondContact O-CG 3.24Å; T553-Q557 PolarHBondContact O-N 3.27Å; T553-Q557 VanDerWaalsContact O-N 3.15Å
554A97.2Very high97.1Very high23 Ų2383.5 Ų83.519%0.1943%0.434CS..Hα-helixtrans-63.4-54-178.100000112.2L541 F550 A551 Q552 R556 Q557 L558L541-A554 HydrophobicContact CD1-CB 4.28Å; F550-A554 HydrophobicContact CE1-CB 4.28Å; F550-A554 WeakPolarHBondContact O-CB 3.36Å; F550-A554 PolarHBondContact O-N 3.33Å; A551-A554 PolarHBondContact O-N 2.89Å; Q552-A554 VanDerWaalsContact C-N 3.33Å; A554-R556 VanDerWaalsContact C-N 3.34Å; A554-R556 PolarHBondContact O-N 3.27Å; A554-Q557 PolarHBondContact O-N 3.04Å; A554-L558 WeakPolarHBondContact O-CG 3.17Å; A554-L558 PolarHBondContact O-N 3.23Å; A554-L558 VanDerWaalsContact O-N 3.1Å
555W96.8Very high97.1Very high46 Ų4681.2 Ų81.217%0.17442%0.416CS..Hα-helixtrans-67.6-34.7-178.175-115.6000112T534 E538 L541 A551 L558 F559T534-W555 HydrophobicContact CG2-CD2 4.34Å; T534-W555 HydrophobicContact CG2-CE3 3.58Å; T534-W555 HydrophobicContact CG2-CZ3 3.76Å; E538-W555 PolarHBondContact OE2-NE1 3.36Å; L541-W555 HydrophobicContact CD1-CB 4.4Å; A551-W555 PolarHBondContact O-N 3.47Å; W555-L558 PolarHBondContact O-N 3.38Å; W555-F559 HydrophobicContact CE3-CB 4.48Å; W555-F559 WeakPolarHBondContact O-CB 3.42Å; W555-F559 PolarHBondContact O-N 3.1Å
556R97.9Very high97Very high116 Ų11681.9 Ų81.944%0.43840%0.402SS..Hα-helixtrans-61.1-47.4177.1-77.4175.7-172.2132.67.5111.9Q552 A554 L560Q552-R556 VanDerWaalsContact O-CB 3.27Å; Q552-R556 WeakPolarHBondContact O-CB 3.15Å; Q552-R556 WeakPolarHBondContact O-CD 3.28Å; Q552-R556 WeakPolarHBondContact O-CG 3.48Å; Q552-R556 PolarHBondContact O-N 2.91Å; Q552-R556 VanDerWaalsContact O-N 3.17Å; Q552-R556 VanDerWaalsContact OE1-NH2 3.09Å; A554-R556 VanDerWaalsContact C-N 3.34Å; A554-R556 PolarHBondContact O-N 3.27Å; R556-L560 WeakPolarHBondContact O-CB 3.44Å; R556-L560 PolarHBondContact O-N 3.37Å
557Q97.2Very high96.8Very high126 Ų12686.3 Ų86.359%0.58943%0.426SS*.Hα-helixtrans-65.9-44.9179.8-70.9-64.3-48.900111.7T553 A554 L560 Q561T553-Q557 WeakPolarHBondContact O-CG 3.24Å; T553-Q557 PolarHBondContact O-N 3.27Å; T553-Q557 VanDerWaalsContact O-N 3.15Å; A554-Q557 PolarHBondContact O-N 3.04Å; Q557-L560 PolarHBondContact O-N 3.2Å; Q557-Q561 WeakPolarHBondContact O-CB 3.37Å; Q557-Q561 PolarHBondContact O-N 2.75Å
558L96.8Very high96.7Very high130 Ų13087 Ų8768%0.68144%0.436SS*.Hα-helixtrans-63.3-43.6177.9-71.9171.8000112A554 W555 N562A554-L558 WeakPolarHBondContact O-CG 3.17Å; A554-L558 PolarHBondContact O-N 3.23Å; A554-L558 VanDerWaalsContact O-N 3.1Å; W555-L558 PolarHBondContact O-N 3.38Å; L558-N562 WeakPolarHBondContact O-CB 3.33Å; L558-N562 PolarHBondContact O-N 3.18Å; L558-N562 VanDerWaalsContact O-N 3.07Å
559F96.9Very high96.5Very high90 Ų9084.5 Ų84.540%0.39543%0.431SS..Hα-helixtrans-62.9-48.4177.2172.2-109.3000111.5V530 W555 Q561 N562 A563V530-F559 HydrophobicContact CG1-CD2 3.96Å; V530-F559 HydrophobicContact CG1-CE2 3.25Å; V530-F559 HydrophobicContact CG1-CZ 3.64Å; W555-F559 HydrophobicContact CE3-CB 4.48Å; W555-F559 WeakPolarHBondContact O-CB 3.42Å; W555-F559 PolarHBondContact O-N 3.1Å; F559-Q561 PolarHBondContact O-N 3.34Å; F559-N562 PolarHBondContact O-N 2.95Å; F559-A563 WeakPolarHBondContact O-CB 3.24Å; F559-A563 PolarHBondContact O-N 3.28Å
560L96.7Very high96.3Very high86 Ų8679.5 Ų79.545%0.4541%0.413SS..Hα-helixtrans-60.8-44.9-179.2-178.561.4000111.7R556 Q557 N562 A563 Q564R556-L560 WeakPolarHBondContact O-CB 3.44Å; R556-L560 PolarHBondContact O-N 3.37Å; Q557-L560 PolarHBondContact O-N 3.2Å; L560-N562 VanDerWaalsContact C-N 3.32Å; L560-N562 PolarHBondContact O-N 3.28Å; L560-A563 PolarHBondContact O-N 2.82Å; L560-Q564 VanDerWaalsContact O-CG 3.31Å; L560-Q564 WeakPolarHBondContact O-CG 3.26Å; L560-Q564 PolarHBondContact O-N 3.2Å
561Q95.8Very high96Very high102 Ų10278 Ų7848%0.47742%0.415SS..Hα-helixtrans-61.6-41.8177-176.361.468.800111.7Q557 F559 Q564 N565Q557-Q561 WeakPolarHBondContact O-CB 3.37Å; Q557-Q561 PolarHBondContact O-N 2.75Å; F559-Q561 PolarHBondContact O-N 3.34Å; Q561-Q564 PolarHBondContact O-N 3.36Å; Q561-N565 PolarHBondContact NE2-OD1 3.16Å; Q561-N565 VanDerWaalsContact NE2-OD1 3.11Å; Q561-N565 PolarHBondContact O-N 2.92Å; Q561-N565 PolarHBondContact O-OD1 3.26Å
562N94.9Very high95.8Very high75 Ų7579.6 Ų79.640%0.40143%0.426SS..Hα-helixtrans-67-40.6177.9-170.154.2000112L558 F559 L560 N565 L566L558-N562 WeakPolarHBondContact O-CB 3.33Å; L558-N562 PolarHBondContact O-N 3.18Å; L558-N562 VanDerWaalsContact O-N 3.07Å; F559-N562 PolarHBondContact O-N 2.95Å; L560-N562 VanDerWaalsContact C-N 3.32Å; L560-N562 PolarHBondContact O-N 3.28Å; N562-N565 PolarHBondContact O-N 3.39Å; N562-L566 WeakPolarHBondContact O-CG 3.4Å; N562-L566 PolarHBondContact O-N 2.85Å
563A95.3Very high95.6Very high30 Ų3082.9 Ų82.925%0.24844%0.442CS..Hα-helixtrans-61.3-44.6174.600000111.3F559 L560 N565 L566 L567F559-A563 WeakPolarHBondContact O-CB 3.24Å; F559-A563 PolarHBondContact O-N 3.28Å; L560-A563 PolarHBondContact O-N 2.82Å; A563-N565 VanDerWaalsContact C-N 3.33Å; A563-N565 PolarHBondContact O-N 3.3Å; A563-L566 PolarHBondContact O-N 2.8Å; A563-L567 WeakPolarHBondContact O-CG 3.33Å; A563-L567 PolarHBondContact O-N 3.02Å
564Q96.3Very high95.4Very high91 Ų9179.5 Ų79.543%0.42542%0.421SS..Hα-helixtrans-60-40.9175.2-73.4171.7-12.100112.4L560 Q561 L566 L567 A568L560-Q564 VanDerWaalsContact O-CG 3.31Å; L560-Q564 WeakPolarHBondContact O-CG 3.26Å; L560-Q564 PolarHBondContact O-N 3.2Å; Q561-Q564 PolarHBondContact O-N 3.36Å; Q564-L566 VanDerWaalsContact C-N 3.34Å; Q564-L566 PolarHBondContact O-N 3.38Å; Q564-L567 PolarHBondContact O-N 3.1Å; Q564-A568 PolarHBondContact O-N 2.96Å
565N95.9Very high95.3Very high51 Ų5179.2 Ų79.227%0.27342%0.417SS..Hα-helixtrans-62.6-41.9175.6-66.8-11.6000111.7Q561 N562 A563 L567 A568 M569 A574Q561-N565 PolarHBondContact NE2-OD1 3.16Å; Q561-N565 VanDerWaalsContact NE2-OD1 3.11Å; Q561-N565 PolarHBondContact O-N 2.92Å; Q561-N565 PolarHBondContact O-OD1 3.26Å; N562-N565 PolarHBondContact O-N 3.39Å; A563-N565 VanDerWaalsContact C-N 3.33Å; A563-N565 PolarHBondContact O-N 3.3Å; N565-L567 VanDerWaalsContact C-N 3.28Å; N565-L567 PolarHBondContact O-N 3.01Å; N565-A568 PolarHBondContact O-N 2.84Å; N565-A568 VanDerWaalsContact O-N 3.16Å; N565-M569 VanDerWaalsContact O-CB 3.31Å; N565-M569 WeakPolarHBondContact O-CB 3.37Å; N565-M569 PolarHBondContact O-N 3.19Å; N565-A574 HydrophobicContact CB-CB 4.11Å
566L95.5Very high95.1Very high82 Ų8282.1 Ų82.143%0.42944%0.439SS..Hα-helixtrans-70.2-22178.2-71.4169.2000113.7N562 A563 Q564 M569 P571 A574N562-L566 WeakPolarHBondContact O-CG 3.4Å; N562-L566 PolarHBondContact O-N 2.85Å; A563-L566 PolarHBondContact O-N 2.8Å; Q564-L566 VanDerWaalsContact C-N 3.34Å; Q564-L566 PolarHBondContact O-N 3.38Å; L566-M569 CarbonylContact C-O 3.58Å; L566-M569 VanDerWaalsContact O-O 3.13Å; L566-P571 HydrophobicContact CD2-CB 4.34Å; L566-P571 HydrophobicContact CD2-CG 4.3Å; L566-A574 HydrophobicContact CD2-CB 3.85Å; L566-A574 HydrophobicContact CG-CB 4.33Å
567L94Very high94.9Very high156 Ų15677.4 Ų77.482%0.81743%0.427SS*.Hα-helixtrans-75.6-30.7170.3-68.5173.4000112.1A563 Q564 N565A563-L567 WeakPolarHBondContact O-CG 3.33Å; A563-L567 PolarHBondContact O-N 3.02Å; Q564-L567 PolarHBondContact O-N 3.1Å; N565-L567 VanDerWaalsContact C-N 3.28Å; N565-L567 PolarHBondContact O-N 3.01Å
568A95.1Very high94.9Very high84 Ų8472.7 Ų72.769%0.69441%0.407SS*.Hα-helixtrans-93.6-21-177.700000113.9Q564 N565Q564-A568 PolarHBondContact O-N 2.96Å; N565-A568 PolarHBondContact O-N 2.84Å; N565-A568 VanDerWaalsContact O-N 3.16Å
569M94.2Very high94.8Very high95 Ų9566.7 Ų66.747%0.46838%0.376SS..SBendtrans-143.7156.3-167.1-54.5-177.7163.900111.6N565 L566 E573 A574N565-M569 VanDerWaalsContact O-CB 3.31Å; N565-M569 WeakPolarHBondContact O-CB 3.37Å; N565-M569 PolarHBondContact O-N 3.19Å; L566-M569 CarbonylContact C-O 3.58Å; L566-M569 VanDerWaalsContact O-O 3.13Å; M569-E573 HydrophobicContact CB-CB 3.79Å; M569-E573 HydrophobicContact CG-CB 4.47Å; M569-E573 HydrophobicContact SD-CB 4.34Å; M569-A574 HydrophobicContact CB-CB 4.49Å
570S92.9Very high94.8Very high48 Ų4864.1 Ų64.134%0.33637%0.365SS..  trans-64.9158.6171.667.90000111.8S572 E573 A574S570-S572 PolarHBondContact O-N 2.96Å; S570-S572 VanDerWaalsContact O-N 3.09Å; S570-E573 VanDerWaalsContact CB-OE2 3.29Å; S570-E573 WeakPolarHBondContact CB-OE2 3.35Å; S570-E573 PolarHBondContact N-OE2 3.23Å; S570-E573 PolarHBondContact O-N 3.07Å; S570-E573 WeakPolarHBondContact OG-CG 3.49Å; S570-E573 PolarHBondContact OG-N 2.78Å; S570-E573 PolarHBondContact OG-OE2 3.08Å; S570-A574 PolarHBondContact O-N 2.87Å
571P92.8Very high94.8Very high81 Ų8166.8 Ų66.853%0.52637%0.369SS..Hα-helixtrans-54.1-31.2174.5-28.635.6000114.2L566 L575 I612L566-P571 HydrophobicContact CD2-CB 4.34Å; L566-P571 HydrophobicContact CD2-CG 4.3Å; P571-L575 PolarHBondContact O-N 2.8Å; P571-I612 HydrophobicContact CB-CD1 4.49Å
572S93.2Very high94.8Very high35 Ų3564.1 Ų64.125%0.24536%0.358CS..Hα-helixtrans-67.9-46.2175.4-174.50000112S570 L575 I612 K616S570-S572 PolarHBondContact O-N 2.96Å; S570-S572 VanDerWaalsContact O-N 3.09Å; S572-L575 WeakPolarHBondContact O-CB 3.22Å; S572-L575 PolarHBondContact O-N 3.25Å; S572-I612 VanDerWaalsContact CA-CG2 3.47Å; S572-K616 VanDerWaalsContact O-CD 3.26Å; S572-K616 WeakPolarHBondContact O-CD 3.41Å; S572-K616 VanDerWaalsContact O-CE 3.29Å; S572-K616 WeakPolarHBondContact O-CE 3.39Å; S572-K616 PolarHBondContact O-NZ 2.88Å; S572-K616 WeakPolarHBondContact OG-CB 3.4Å
573E93.4Very high94.9Very high117 Ų11762.7 Ų62.755%0.54735%0.351SS..Hα-helixtrans-67.6-43.3179.8-72.1162.8135.400111.9M569 S570 L575 K616M569-E573 HydrophobicContact CB-CB 3.79Å; M569-E573 HydrophobicContact CG-CB 4.47Å; M569-E573 HydrophobicContact SD-CB 4.34Å; S570-E573 VanDerWaalsContact CB-OE2 3.29Å; S570-E573 WeakPolarHBondContact CB-OE2 3.35Å; S570-E573 PolarHBondContact N-OE2 3.23Å; S570-E573 PolarHBondContact O-N 3.07Å; S570-E573 WeakPolarHBondContact OG-CG 3.49Å; S570-E573 PolarHBondContact OG-N 2.78Å; S570-E573 PolarHBondContact OG-OE2 3.08Å; E573-L575 VanDerWaalsContact C-N 3.26Å; E573-L575 PolarHBondContact O-N 2.99Å; E573-K616 PolarHBondContact O-NZ 3.36Å
574A94.1Very high95Very high6 Ų664.3 Ų64.35%0.0536%0.355CS..Hα-helixtrans-68.9-19.8179.900000114N565 L566 M569 S570 T576N565-A574 HydrophobicContact CB-CB 4.11Å; L566-A574 HydrophobicContact CD2-CB 3.85Å; L566-A574 HydrophobicContact CG-CB 4.33Å; M569-A574 HydrophobicContact CB-CB 4.49Å; S570-A574 PolarHBondContact O-N 2.87Å; A574-T576 PolarHBondContact O-N 2.87Å
575L94.5Very high95.1Very high17 Ų1763.5 Ų63.59%0.08936%0.359CS..  trans-60.9125179.6-179.158.2000111.2P571 S572 E573 E580 L609 I612 A613 K616P571-L575 PolarHBondContact O-N 2.8Å; S572-L575 WeakPolarHBondContact O-CB 3.22Å; S572-L575 PolarHBondContact O-N 3.25Å; E573-L575 VanDerWaalsContact C-N 3.26Å; E573-L575 PolarHBondContact O-N 2.99Å; L575-E580 HydrophobicContact CG-CB 4.09Å; L575-E580 HydrophobicContact CG-CG 4.34Å; L575-E580 WeakPolarHBondContact O-CG 3.35Å; L575-L609 HydrophobicContact CD1-CB 4.48Å; L575-L609 HydrophobicContact CD1-CD1 4.38Å; L575-L609 HydrophobicContact CD1-CD2 3.82Å; L575-L609 HydrophobicContact CD1-CG 4.44Å; L575-I612 HydrophobicContact CB-CG2 4.37Å; L575-I612 HydrophobicContact CD2-CB 4.14Å; L575-I612 HydrophobicContact CD2-CG2 3.77Å; L575-A613 HydrophobicContact CD2-CB 3.85Å; L575-K616 PolarHBondContact O-NZ 2.88Å
576T92.9Very high95.2Very high106 Ų10662.9 Ų62.965%0.6536%0.358SS*.  trans-134.6176.9171.763.80000109.9A574A574-T576 PolarHBondContact O-N 2.87Å
577G94.5Very high95.3Very high17 Ų1759 Ų5918%0.17534%0.337CS..SBendtrans99-168.5173.600000114.6V579 E580 R581G577-V579 PolarHBondContact O-N 3.42Å; G577-E580 WeakPolarHBondContact O-CB 3.23Å; G577-E580 PolarHBondContact O-N 2.81Å; G577-R581 PolarHBondContact O-N 2.9Å; G577-R581 PolarHBondContact O-NH1 3.25Å
578P96.4Very high95.4Very high27 Ų2753.5 Ų53.518%0.17531%0.31CS..THydrogen-bonded Turntrans-60-40.6-171.5-26.635.9000114.1R581 N582 D583 T586 V587P578-R581 CarbonylContact O-C 2.93Å; P578-R581 PolarHBondContact O-N 3.12Å; P578-N582 PolarHBondContact O-N 2.83Å; P578-N582 VanDerWaalsContact O-N 3.12Å; P578-D583 HydrophobicContact CB-CB 4.2Å; P578-D583 PolarHBondContact O-N 2.8Å; P578-T586 HydrophobicContact CB-CG2 3.9Å; P578-T586 HydrophobicContact CG-CG2 3.48Å; P578-T586 VanDerWaalsContact CG-CG2 3.48Å; P578-V587 HydrophobicContact CB-CG2 4.04Å
579V96.4Very high95.6Very high5 Ų554 Ų543%0.0330%0.301CS..THydrogen-bonded Turntrans-65.2-43.9178.2-177.40000110.6G577 R581 N582 V587 T606 L609 I610 A613 Y622 M625G577-V579 PolarHBondContact O-N 3.42Å; V579-R581 PolarHBondContact O-N 3.01Å; V579-N582 PolarHBondContact O-N 3.43Å; V579-V587 HydrophobicContact CG2-CG2 4.38Å; V579-T606 HydrophobicContact CG2-CG2 3.56Å; V579-L609 HydrophobicContact CB-CB 4.17Å; V579-L609 HydrophobicContact CG1-CB 3.81Å; V579-L609 HydrophobicContact CG2-CB 4.21Å; V579-L609 HydrophobicContact CG2-CD1 4.26Å; V579-I610 HydrophobicContact CG1-CG1 3.82Å; V579-A613 HydrophobicContact CG1-CB 4.07Å; V579-Y622 VanDerWaalsContact O-CE1 3.29Å; V579-Y622 WeakPolarHBondContact O-CE1 3.48Å; V579-M625 HydrophobicContact CB-SD 4.48Å; V579-M625 HydrophobicContact CG1-SD 4.28Å; V579-M625 HydrophobicContact CG2-SD 4.12Å
580E95.9Very high95.7Very high36 Ų3653 Ų5317%0.16830%0.295CS..THydrogen-bonded Turntrans-54.5-43176.8-168-80155.100111L575 G577 N582 H617 R620L575-E580 HydrophobicContact CG-CB 4.09Å; L575-E580 HydrophobicContact CG-CG 4.34Å; L575-E580 WeakPolarHBondContact O-CG 3.35Å; G577-E580 WeakPolarHBondContact O-CB 3.23Å; G577-E580 PolarHBondContact O-N 2.81Å; E580-N582 VanDerWaalsContact C-N 3.32Å; E580-N582 PolarHBondContact O-N 3.12Å; E580-H617 IonicContact OE1-CD2 2.71Å; E580-H617 IonicContact OE1-CE1 3.91Å; E580-H617 IonicContact OE1-NE2 3.67Å; E580-H617 PolarHBondContact OE1-NE2 3.38Å; E580-R620 PolarHBondContact O-NH1 2.89Å; E580-R620 IonicContact OE1-NH1 3.9Å
581R95.7Very high95.9Very high141 Ų14151.7 Ų51.753%0.53228%0.284SS..THydrogen-bonded Turntrans-832.1-179.7-62-173.2-61.1-88.11.9115G577 P578 V579 D583G577-R581 PolarHBondContact O-N 2.9Å; G577-R581 PolarHBondContact O-NH1 3.25Å; P578-R581 CarbonylContact O-C 2.93Å; P578-R581 PolarHBondContact O-N 3.12Å; V579-R581 PolarHBondContact O-N 3.01Å; R581-D583 PolarHBondContact O-N 2.74Å
582N96.3Very high96.1Very high46 Ų4652 Ų5225%0.24629%0.294CS..THydrogen-bonded Turntrans52.338.6-170.9-161.624.8000113.6P578 V579 E580 L584 E621 Y622P578-N582 PolarHBondContact O-N 2.83Å; P578-N582 VanDerWaalsContact O-N 3.12Å; V579-N582 PolarHBondContact O-N 3.43Å; E580-N582 VanDerWaalsContact C-N 3.32Å; E580-N582 PolarHBondContact O-N 3.12Å; N582-L584 PolarHBondContact O-N 3.29Å; N582-E621 PolarHBondContact ND2-O 2.73Å; N582-Y622 HydrophobicContact CB-CD1 4.15Å; N582-Y622 HydrophobicContact CB-CE1 3.68Å; N582-Y622 VanDerWaalsContact OD1-CD1 3.23Å; N582-Y622 WeakPolarHBondContact OD1-CD1 3.34Å
583D97.6Very high96.3Very high46 Ų4654.4 Ų54.425%0.24632%0.316CS..  trans-85.189179.9-178.7-3.6000111P578 R581 S585 T586 V587P578-D583 HydrophobicContact CB-CB 4.2Å; P578-D583 PolarHBondContact O-N 2.8Å; R581-D583 PolarHBondContact O-N 2.74Å; D583-S585 VanDerWaalsContact C-N 3.29Å; D583-S585 PolarHBondContact O-N 2.94Å; D583-S585 PolarHBondContact OD1-N 2.65Å; D583-T586 VanDerWaalsContact CG-OG1 3.26Å; D583-T586 PolarHBondContact OD1-N 2.89Å; D583-T586 VanDerWaalsContact OD1-N 3.08Å; D583-T586 PolarHBondContact OD1-OG1 3.21Å; D583-T586 WeakPolarHBondContact OD2-CB 3.28Å; D583-T586 PolarHBondContact OD2-OG1 3.01Å; D583-V587 WeakPolarHBondContact O-CG2 3.33Å; D583-V587 PolarHBondContact O-N 3.46Å
584L97.2Very high96.5Very high63 Ų6350.5 Ų50.533%0.3330%0.299SS..Hα-helixtrans-63.3-32.3178.6179.661.2000113.4N582 T588 P624 M625 K628N582-L584 PolarHBondContact O-N 3.29Å; L584-T588 WeakPolarHBondContact O-CB 3.24Å; L584-T588 PolarHBondContact O-N 3.39Å; L584-T588 PolarHBondContact O-OG1 3.48Å; L584-P624 HydrophobicContact CD2-CB 3.88Å; L584-M625 HydrophobicContact CD1-CB 4Å; L584-M625 HydrophobicContact CD1-CG 4.19Å; L584-K628 HydrophobicContact CD1-CB 4.01Å; L584-K628 HydrophobicContact CD1-CG 4.34Å
585S97.7Very high96.5Very high74 Ų7452.7 Ų52.752%0.51731%0.312SS..Hα-helixtrans-65.1-52.8-176.7-167.40000109.6D583 V587 T588 D589D583-S585 VanDerWaalsContact C-N 3.29Å; D583-S585 PolarHBondContact O-N 2.94Å; D583-S585 PolarHBondContact OD1-N 2.65Å; S585-V587 VanDerWaalsContact C-N 3.32Å; S585-V587 PolarHBondContact O-N 3.14Å; S585-T588 WeakPolarHBondContact O-CA 3.42Å; S585-T588 WeakPolarHBondContact O-CB 3.41Å; S585-T588 PolarHBondContact O-N 3.2Å; S585-D589 PolarHBondContact O-N 3Å
586T97.9Very high96.4Very high39 Ų3957.5 Ų57.524%0.23935%0.345CS..Hα-helixtrans-61-40.9-179.6-62.60000112P578 D583 T588 D589 H590P578-T586 HydrophobicContact CB-CG2 3.9Å; P578-T586 HydrophobicContact CG-CG2 3.48Å; P578-T586 VanDerWaalsContact CG-CG2 3.48Å; D583-T586 VanDerWaalsContact CG-OG1 3.26Å; D583-T586 PolarHBondContact OD1-N 2.89Å; D583-T586 VanDerWaalsContact OD1-N 3.08Å; D583-T586 PolarHBondContact OD1-OG1 3.21Å; D583-T586 WeakPolarHBondContact OD2-CB 3.28Å; D583-T586 PolarHBondContact OD2-OG1 3.01Å; T586-T588 VanDerWaalsContact C-N 3.29Å; T586-T588 PolarHBondContact O-N 3.4Å; T586-D589 PolarHBondContact O-N 3.05Å; T586-H590 WeakPolarHBondContact CG2-NE2 3.23Å; T586-H590 PolarHBondContact O-CD2 2.78Å; T586-H590 PolarHBondContact O-N 3.16Å
587V97.7Very high96.3Very high0 Ų060.5 Ų60.50%035%0.351CS..Hα-helixtrans-63.3-37.2175.7173.60000111.5P578 V579 D583 S585 L591 Y602 T606 M625 L629P578-V587 HydrophobicContact CB-CG2 4.04Å; V579-V587 HydrophobicContact CG2-CG2 4.38Å; D583-V587 WeakPolarHBondContact O-CG2 3.33Å; D583-V587 PolarHBondContact O-N 3.46Å; S585-V587 VanDerWaalsContact C-N 3.32Å; S585-V587 PolarHBondContact O-N 3.14Å; V587-L591 HydrophobicContact CG1-CD1 4.33Å; V587-L591 VanDerWaalsContact O-CG 3.32Å; V587-L591 WeakPolarHBondContact O-CG 3.44Å; V587-L591 PolarHBondContact O-N 2.84Å; V587-L591 VanDerWaalsContact O-N 3.14Å; V587-Y602 HydrophobicContact CG1-CE1 4.27Å; V587-T606 HydrophobicContact CG1-CG2 4.5Å; V587-M625 HydrophobicContact CB-CG 4.49Å; V587-M625 HydrophobicContact CG1-CG 4.17Å; V587-M625 HydrophobicContact CG2-CE 3.89Å; V587-M625 HydrophobicContact CG2-CG 4.49Å; V587-M625 HydrophobicContact CG2-SD 3.91Å; V587-L629 HydrophobicContact CG1-CD2 4.19Å
588T97.7Very high96.4Very high41 Ų4160.1 Ų60.125%0.25235%0.346SS..Hα-helixtrans-66.1-42.5175.6-630000111.7L584 S585 T586 L591 A592L584-T588 WeakPolarHBondContact O-CB 3.24Å; L584-T588 PolarHBondContact O-N 3.39Å; L584-T588 PolarHBondContact O-OG1 3.48Å; S585-T588 WeakPolarHBondContact O-CA 3.42Å; S585-T588 WeakPolarHBondContact O-CB 3.41Å; S585-T588 PolarHBondContact O-N 3.2Å; T586-T588 VanDerWaalsContact C-N 3.29Å; T586-T588 PolarHBondContact O-N 3.4Å; T588-L591 PolarHBondContact O-N 3.22Å; T588-A592 PolarHBondContact O-N 2.93Å; T588-A592 VanDerWaalsContact O-N 3.16Å
589D98Very high96.4Very high95 Ų9559.7 Ų59.751%0.50834%0.343SS..Hα-helixtrans-66.8-40.2179.3-64.2-27.2000111.4S585 T586 A592 A593S585-D589 PolarHBondContact O-N 3Å; T586-D589 PolarHBondContact O-N 3.05Å; D589-A592 PolarHBondContact O-N 3.44Å; D589-A593 WeakPolarHBondContact O-CB 3.34Å; D589-A593 PolarHBondContact O-N 3.48Å; D589-A593 VanDerWaalsContact O-N 3.12Å
590H97.8Very high96.3Very high72 Ų7261.2 Ų61.233%0.33336%0.36SS..Hα-helixtrans-58.1-49.8172.5-67.1170.8000111.8T586 A592 A593 L594 Y602T586-H590 WeakPolarHBondContact CG2-NE2 3.23Å; T586-H590 PolarHBondContact O-CD2 2.78Å; T586-H590 PolarHBondContact O-N 3.16Å; H590-A592 PolarHBondContact O-N 2.8Å; H590-A593 PolarHBondContact O-N 2.87Å; H590-L594 VanDerWaalsContact O-CG 3.27Å; H590-L594 WeakPolarHBondContact O-CG 3.26Å; H590-L594 PolarHBondContact O-N 3.13Å; H590-Y602 HydrophobicContact CB-CE1 4.24Å; H590-Y602 HydrophobicContact CB-CE2 4.49Å; H590-Y602 AromaticContact ND1-CZ 3.67Å; H590-Y602 PolarHBondContact ND1-OH 2.88Å
591L97Very high96.3Very high21 Ų2163 Ų6311%0.1137%0.37CS..Hα-helixtrans-61.2-28.3179.9-71.8169.2000113V587 T588 T599 Y602 R603 K628 L629V587-L591 HydrophobicContact CG1-CD1 4.33Å; V587-L591 VanDerWaalsContact O-CG 3.32Å; V587-L591 WeakPolarHBondContact O-CG 3.44Å; V587-L591 PolarHBondContact O-N 2.84Å; V587-L591 VanDerWaalsContact O-N 3.14Å; T588-L591 PolarHBondContact O-N 3.22Å; L591-T599 HydrophobicContact CD2-CG2 4.03Å; L591-Y602 HydrophobicContact CD2-CD1 3.74Å; L591-Y602 HydrophobicContact CD2-CE1 4.18Å; L591-Y602 HydrophobicContact CG-CD1 4.33Å; L591-Y602 HydrophobicContact CG-CE1 4.27Å; L591-R603 HydrophobicContact CD2-CG 3.82Å; L591-K628 HydrophobicContact CD1-CG 4.03Å; L591-L629 HydrophobicContact CD1-CD2 4.14Å
592A96.7Very high96.4Very high88 Ų8858.8 Ų58.873%0.72735%0.354SS*.Hα-helixtrans-79.6-25.7176.500000113.1T588 D589 H590T588-A592 PolarHBondContact O-N 2.93Å; T588-A592 VanDerWaalsContact O-N 3.16Å; D589-A592 PolarHBondContact O-N 3.44Å; H590-A592 PolarHBondContact O-N 2.8Å
593A97Very high96.4Very high85 Ų8559.9 Ų59.970%0.70236%0.355SS*.Hα-helixtrans-93.9-22.1-17700000113.9D589 H590D589-A593 WeakPolarHBondContact O-CB 3.34Å; D589-A593 PolarHBondContact O-N 3.48Å; D589-A593 VanDerWaalsContact O-N 3.12Å; H590-A593 PolarHBondContact O-N 2.87Å
594L97.2Very high96.3Very high36 Ų3663.2 Ų63.219%0.18837%0.369CS..SBendtrans-76.1142.8-177.4-72.7170.8000112.4L540 H590 A598 T599 Y602L540-L594 HydrophobicContact CD1-CD2 3.62Å; L540-L594 HydrophobicContact CD2-CD2 3.92Å; L540-L594 HydrophobicContact CG-CD2 4.45Å; H590-L594 VanDerWaalsContact O-CG 3.27Å; H590-L594 WeakPolarHBondContact O-CG 3.26Å; H590-L594 PolarHBondContact O-N 3.13Å; L594-A598 HydrophobicContact CD2-CB 4.13Å; L594-T599 WeakPolarHBondContact CB-OG1 3.3Å; L594-T599 PolarHBondContact O-OG1 2.73Å; L594-Y602 HydrophobicContact CD1-CD1 4.07Å; L594-Y602 HydrophobicContact CD1-CD2 3.9Å; L594-Y602 HydrophobicContact CD1-CG 3.59Å
595P95.3Very high96.3Very high51 Ų5163.9 Ų63.933%0.33137%0.373SS..  trans-65.2159168.728.5-33.6000111L540 E597 A598 T599L540-P595 VanDerWaalsContact CD2-CD 3.45Å; L540-P595 HydrophobicContact CD2-CG 3.8Å; P595-E597 VanDerWaalsContact C-N 3.31Å; P595-E597 PolarHBondContact O-N 2.91Å; P595-A598 HydrophobicContact CG-CB 3.9Å; P595-A598 PolarHBondContact O-N 3.38Å; P595-T599 WeakPolarHBondContact O-CB 3.5Å; P595-T599 PolarHBondContact O-N 2.81Å; P595-T599 PolarHBondContact O-OG1 2.81Å
596P91.7Very high96.3Very high119 Ų11960.6 Ų60.677%0.77335%0.349SS*.Hα-helixtrans-54.2-40.4-175.3-29.136000114.9T599 G600P596-T599 WeakPolarHBondContact O-CB 3.33Å; P596-T599 PolarHBondContact O-N 3.1Å; P596-G600 PolarHBondContact O-N 3.22Å
597E90.2Very high96.3Very high168 Ų16861.3 Ų61.379%0.78535%0.349SS*.Hα-helixtrans-66-47.1-178.8-63.8-177.1178.200112P595 T599 G600P595-E597 VanDerWaalsContact C-N 3.31Å; P595-E597 PolarHBondContact O-N 2.91Å; E597-T599 VanDerWaalsContact C-N 3.3Å; E597-T599 PolarHBondContact O-N 2.99Å; E597-G600 PolarHBondContact O-N 3Å
598A95.9Very high96.2Very high9 Ų966.9 Ų66.97%0.07437%0.373CS..Hα-helixtrans-68.2-30.3176.800000112.5T536 L540 L594 P595 G600 I601 Y602T536-A598 HydrophobicContact CG2-CB 3.88Å; L540-A598 HydrophobicContact CD1-CB 4.34Å; L540-A598 HydrophobicContact CD2-CB 4.39Å; L594-A598 HydrophobicContact CD2-CB 4.13Å; P595-A598 HydrophobicContact CG-CB 3.9Å; P595-A598 PolarHBondContact O-N 3.38Å; A598-G600 VanDerWaalsContact C-N 3.31Å; A598-G600 PolarHBondContact O-N 2.95Å; A598-I601 PolarHBondContact O-N 2.83Å; A598-Y602 WeakPolarHBondContact O-CB 3.4Å; A598-Y602 PolarHBondContact O-N 2.85Å
599T96.8Very high96.2Very high18 Ų1867.8 Ų67.811%0.1138%0.377CS..Hα-helixtrans-60.3-40.5178.9-61.50000111.7L591 L594 P595 P596 E597 Y602 R603L591-T599 HydrophobicContact CD2-CG2 4.03Å; L594-T599 WeakPolarHBondContact CB-OG1 3.3Å; L594-T599 PolarHBondContact O-OG1 2.73Å; P595-T599 WeakPolarHBondContact O-CB 3.5Å; P595-T599 PolarHBondContact O-N 2.81Å; P595-T599 PolarHBondContact O-OG1 2.81Å; P596-T599 WeakPolarHBondContact O-CB 3.33Å; P596-T599 PolarHBondContact O-N 3.1Å; E597-T599 VanDerWaalsContact C-N 3.3Å; E597-T599 PolarHBondContact O-N 2.99Å; T599-Y602 PolarHBondContact O-N 2.76Å; T599-R603 HydrophobicContact CG2-CG 4.45Å; T599-R603 WeakPolarHBondContact O-CB 3.37Å; T599-R603 VanDerWaalsContact O-CG 3.29Å; T599-R603 WeakPolarHBondContact O-CG 3.38Å; T599-R603 PolarHBondContact O-N 3.19Å
600G95Very high96.2Very high38 Ų3863.3 Ų63.339%0.39235%0.352SS..Hα-helixtrans-62.7-47.8177.800000112.6P596 E597 A598 R603 E604P596-G600 PolarHBondContact O-N 3.22Å; E597-G600 PolarHBondContact O-N 3Å; A598-G600 VanDerWaalsContact C-N 3.31Å; A598-G600 PolarHBondContact O-N 2.95Å; G600-R603 PolarHBondContact O-N 2.98Å; G600-E604 PolarHBondContact O-N 3.4Å
601I95.7Very high96.1Very high73 Ų7364.5 Ų64.537%0.37436%0.358SS..Hα-helixtrans-60.8-48.3177-61171.8000110.3L533 A598 R603 E604 L605L533-I601 HydrophobicContact CD2-CG2 3.59Å; A598-I601 PolarHBondContact O-N 2.83Å; I601-R603 VanDerWaalsContact C-N 3.33Å; I601-R603 PolarHBondContact O-N 2.58Å; I601-E604 PolarHBondContact O-N 2.84Å; I601-L605 HydrophobicContact CG2-CD1 4Å; I601-L605 PolarHBondContact O-N 3.2Å; I601-L605 VanDerWaalsContact O-N 3.13Å
602Y97.5Very high96Very high52 Ų5265.1 Ų65.120%0.20436%0.361CS..Hα-helixtrans-58-45.1179.7-175.1-94000111.5V587 H590 L591 L594 A598 T599 T606V587-Y602 HydrophobicContact CG1-CE1 4.27Å; H590-Y602 HydrophobicContact CB-CE1 4.24Å; H590-Y602 HydrophobicContact CB-CE2 4.49Å; H590-Y602 AromaticContact ND1-CZ 3.67Å; H590-Y602 PolarHBondContact ND1-OH 2.88Å; L591-Y602 HydrophobicContact CD2-CD1 3.74Å; L591-Y602 HydrophobicContact CD2-CE1 4.18Å; L591-Y602 HydrophobicContact CG-CD1 4.33Å; L591-Y602 HydrophobicContact CG-CE1 4.27Å; L594-Y602 HydrophobicContact CD1-CD1 4.07Å; L594-Y602 HydrophobicContact CD1-CD2 3.9Å; L594-Y602 HydrophobicContact CD1-CG 3.59Å; A598-Y602 WeakPolarHBondContact O-CB 3.4Å; A598-Y602 PolarHBondContact O-N 2.85Å; T599-Y602 PolarHBondContact O-N 2.76Å; Y602-T606 WeakPolarHBondContact CE1-OG1 3.46Å; Y602-T606 WeakPolarHBondContact O-CB 3.25Å; Y602-T606 PolarHBondContact O-N 2.87Å; Y602-T606 PolarHBondContact O-OG1 3.49Å
603R97.1Very high96Very high70 Ų7061 Ų6126%0.26433%0.327SS..Hα-helixtrans-60-52.7-180-77.7176.5-178-160.22112.5L591 T599 G600 I601 T606 K607 L629 Q631L591-R603 HydrophobicContact CD2-CG 3.82Å; T599-R603 HydrophobicContact CG2-CG 4.45Å; T599-R603 WeakPolarHBondContact O-CB 3.37Å; T599-R603 VanDerWaalsContact O-CG 3.29Å; T599-R603 WeakPolarHBondContact O-CG 3.38Å; T599-R603 PolarHBondContact O-N 3.19Å; G600-R603 PolarHBondContact O-N 2.98Å; I601-R603 VanDerWaalsContact C-N 3.33Å; I601-R603 PolarHBondContact O-N 2.58Å; R603-T606 PolarHBondContact O-N 3.35Å; R603-K607 WeakPolarHBondContact O-CG 3.37Å; R603-K607 PolarHBondContact O-N 2.7Å; R603-L629 HydrophobicContact CG-CD2 4.24Å; R603-Q631 VanDerWaalsContact NH1-C 3.25Å; R603-Q631 PolarHBondContact NH1-O 3.31Å; R603-Q631 PolarHBondContact NH1-OXT 3.19Å; R603-Q631 PolarHBondContact NH2-O 2.91Å; R603-Q631 PolarHBondContact NH2-OXT 3.4Å
604E96.2Very high95.9Very high116 Ų11659.5 Ų59.554%0.54231%0.309SS..Hα-helixtrans-67.6-39.3-174.5-66.8-52.8126.300112.3G600 I601 K607 K608G600-E604 PolarHBondContact O-N 3.4Å; I601-E604 PolarHBondContact O-N 2.84Å; E604-K607 IonicContact OE1-NZ 2.75Å; E604-K607 PolarHBondContact OE1-NZ 3.12Å; E604-K607 IonicContact OE2-NZ 3.59Å; E604-K608 PolarHBondContact O-N 2.96Å
605L96.5Very high95.6Very high77 Ų7764.8 Ų64.840%0.40334%0.337SS..Hα-helixtrans-67.8-41.6173.5-70.2179.5000111.9L533 I601 K607 K608 L609L533-L605 HydrophobicContact CD1-CD1 4.06Å; L533-L605 HydrophobicContact CD2-CD1 3.52Å; L533-L605 HydrophobicContact CG-CD1 4.44Å; I601-L605 HydrophobicContact CG2-CD1 4Å; I601-L605 PolarHBondContact O-N 3.2Å; I601-L605 VanDerWaalsContact O-N 3.13Å; L605-K607 VanDerWaalsContact C-N 3.32Å; L605-K607 PolarHBondContact O-N 2.81Å; L605-K608 WeakPolarHBondContact O-CA 3.44Å; L605-K608 WeakPolarHBondContact O-CB 3.02Å; L605-K608 PolarHBondContact O-N 2.91Å; L605-L609 WeakPolarHBondContact O-CG 3.44Å; L605-L609 PolarHBondContact O-N 2.85Å
606T97.7Very high95.5Very high4 Ų465.3 Ų65.33%0.02533%0.334CS..Hα-helixtrans-63.2-37.9179-57.70000111.6V579 V587 Y602 R603 K608 L609 I610 L629V579-T606 HydrophobicContact CG2-CG2 3.56Å; V587-T606 HydrophobicContact CG1-CG2 4.5Å; Y602-T606 WeakPolarHBondContact CE1-OG1 3.46Å; Y602-T606 WeakPolarHBondContact O-CB 3.25Å; Y602-T606 PolarHBondContact O-N 2.87Å; Y602-T606 PolarHBondContact O-OG1 3.49Å; R603-T606 PolarHBondContact O-N 3.35Å; T606-K608 VanDerWaalsContact C-N 3.25Å; T606-K608 PolarHBondContact O-N 3.14Å; T606-L609 WeakPolarHBondContact O-CB 3.43Å; T606-L609 PolarHBondContact O-N 2.69Å; T606-L609 VanDerWaalsContact O-N 3.11Å; T606-I610 WeakPolarHBondContact O-CG1 3.34Å; T606-I610 PolarHBondContact O-N 2.9Å; T606-L629 HydrophobicContact CG2-CD1 3.6Å; T606-L629 HydrophobicContact CG2-CD2 3.89Å; T606-L629 HydrophobicContact CG2-CG 4.36Å
607K97.3Very high95.7Very high54 Ų5461 Ų6124%0.23530%0.304CS..Hα-helixtrans-58.3-38.7171.2-72170.9-174.4172.40111.8R603 E604 L605 I610 Q611 L629 N630R603-K607 WeakPolarHBondContact O-CG 3.37Å; R603-K607 PolarHBondContact O-N 2.7Å; E604-K607 IonicContact OE1-NZ 2.75Å; E604-K607 PolarHBondContact OE1-NZ 3.12Å; E604-K607 IonicContact OE2-NZ 3.59Å; L605-K607 VanDerWaalsContact C-N 3.32Å; L605-K607 PolarHBondContact O-N 2.81Å; K607-I610 PolarHBondContact O-N 3.15Å; K607-Q611 PolarHBondContact O-N 2.97Å; K607-L629 HydrophobicContact CG-CB 4.28Å; K607-L629 HydrophobicContact CG-CD1 4.01Å; K607-N630 WeakPolarHBondContact CE-OD1 3.36Å; K607-N630 PolarHBondContact NZ-OD1 3.06Å
608K96.4Very high95.7Very high117 Ų11758 Ų5851%0.50930%0.298SS..Hα-helixtrans-68.7-38.7174.8-166.659.6175.2177.10112.1E604 L605 T606 I610 Q611 I612E604-K608 PolarHBondContact O-N 2.96Å; L605-K608 WeakPolarHBondContact O-CA 3.44Å; L605-K608 WeakPolarHBondContact O-CB 3.02Å; L605-K608 PolarHBondContact O-N 2.91Å; T606-K608 VanDerWaalsContact C-N 3.25Å; T606-K608 PolarHBondContact O-N 3.14Å; K608-I610 VanDerWaalsContact C-N 3.31Å; K608-I610 PolarHBondContact O-N 3.26Å; K608-Q611 WeakPolarHBondContact O-CB 3.24Å; K608-Q611 PolarHBondContact O-N 3.26Å; K608-I612 WeakPolarHBondContact O-CG1 3.38Å; K608-I612 PolarHBondContact O-N 2.79Å; K608-I612 VanDerWaalsContact O-N 3.17Å
609L97.4Very high95.7Very high61 Ų6163.6 Ų63.632%0.31932%0.323SS..Hα-helixtrans-62.3-37.4173.9-61.1-175.6000111.9L575 V579 L605 T606 Q611 I612 A613L575-L609 HydrophobicContact CD1-CB 4.48Å; L575-L609 HydrophobicContact CD1-CD1 4.38Å; L575-L609 HydrophobicContact CD1-CD2 3.82Å; L575-L609 HydrophobicContact CD1-CG 4.44Å; V579-L609 HydrophobicContact CB-CB 4.17Å; V579-L609 HydrophobicContact CG1-CB 3.81Å; V579-L609 HydrophobicContact CG2-CB 4.21Å; V579-L609 HydrophobicContact CG2-CD1 4.26Å; L605-L609 WeakPolarHBondContact O-CG 3.44Å; L605-L609 PolarHBondContact O-N 2.85Å; T606-L609 WeakPolarHBondContact O-CB 3.43Å; T606-L609 PolarHBondContact O-N 2.69Å; T606-L609 VanDerWaalsContact O-N 3.11Å; L609-Q611 PolarHBondContact O-N 3.34Å; L609-I612 HydrophobicContact CD2-CD1 4.47Å; L609-I612 PolarHBondContact O-N 3.34Å; L609-A613 VanDerWaalsContact O-CB 3.27Å; L609-A613 WeakPolarHBondContact O-CB 3.28Å; L609-A613 PolarHBondContact O-N 2.89Å
610I97.2Very high95.6Very high0 Ų066.4 Ų66.40%033%0.332CS..Hα-helixtrans-61.4-43.3175-71.6173.5000111.1V579 T606 K607 K608 I612 A613 T614 Y622 M625 E626 L629V579-I610 HydrophobicContact CG1-CG1 3.82Å; T606-I610 WeakPolarHBondContact O-CG1 3.34Å; T606-I610 PolarHBondContact O-N 2.9Å; K607-I610 PolarHBondContact O-N 3.15Å; K608-I610 VanDerWaalsContact C-N 3.31Å; K608-I610 PolarHBondContact O-N 3.26Å; I610-I612 VanDerWaalsContact C-N 3.3Å; I610-I612 PolarHBondContact O-N 3.39Å; I610-A613 PolarHBondContact O-N 2.91Å; I610-T614 WeakPolarHBondContact O-CB 3.47Å; I610-T614 PolarHBondContact O-N 2.97Å; I610-T614 PolarHBondContact O-OG1 3.14Å; I610-Y622 HydrophobicContact CG2-CD1 4.46Å; I610-Y622 HydrophobicContact CG2-CG 4.07Å; I610-M625 HydrophobicContact CD1-CB 4.05Å; I610-M625 HydrophobicContact CD1-CG 3.85Å; I610-M625 HydrophobicContact CD1-SD 3.91Å; I610-M625 HydrophobicContact CG1-SD 4.02Å; I610-E626 HydrophobicContact CD1-CG 3.78Å; I610-E626 HydrophobicContact CG2-CG 3.83Å; I610-E626 WeakPolarHBondContact CG2-OE1 3.46Å; I610-L629 HydrophobicContact CD1-CD1 3.44Å; I610-L629 VanDerWaalsContact CD1-CD1 3.44Å
611Q95.6Very high95.5Very high98 Ų9871.4 Ų71.446%0.45835%0.345SS..Hα-helixtrans-59.4-43.1176.2-65.7172.811.800111.4K607 K608 L609 L615K607-Q611 PolarHBondContact O-N 2.97Å; K608-Q611 WeakPolarHBondContact O-CB 3.24Å; K608-Q611 PolarHBondContact O-N 3.26Å; L609-Q611 PolarHBondContact O-N 3.34Å; Q611-L615 WeakPolarHBondContact O-CG 3.48Å; Q611-L615 PolarHBondContact O-N 2.81Å
612I95.5Very high95.5Very high34 Ų3468.1 Ų68.117%0.17433%0.328CS..Hα-helixtrans-65.8-46.4177.2-64.1169000110.6P571 S572 L575 K608 L609 I610 T614 L615 K616P571-I612 HydrophobicContact CB-CD1 4.49Å; S572-I612 VanDerWaalsContact CA-CG2 3.47Å; L575-I612 HydrophobicContact CB-CG2 4.37Å; L575-I612 HydrophobicContact CD2-CB 4.14Å; L575-I612 HydrophobicContact CD2-CG2 3.77Å; K608-I612 WeakPolarHBondContact O-CG1 3.38Å; K608-I612 PolarHBondContact O-N 2.79Å; K608-I612 VanDerWaalsContact O-N 3.17Å; L609-I612 HydrophobicContact CD2-CD1 4.47Å; L609-I612 PolarHBondContact O-N 3.34Å; I610-I612 VanDerWaalsContact C-N 3.3Å; I610-I612 PolarHBondContact O-N 3.39Å; I612-T614 VanDerWaalsContact C-N 3.32Å; I612-T614 PolarHBondContact O-N 2.79Å; I612-L615 PolarHBondContact O-N 3.28Å; I612-K616 PolarHBondContact O-N 3.4Å
613A96.2Very high95.4Very high0 Ų070.3 Ų70.30%034%0.34CS..Hα-helixtrans-65.7-33.3-179.100000112.7L575 V579 L609 I610 K616 H617 Y622L575-A613 HydrophobicContact CD2-CB 3.85Å; V579-A613 HydrophobicContact CG1-CB 4.07Å; L609-A613 VanDerWaalsContact O-CB 3.27Å; L609-A613 WeakPolarHBondContact O-CB 3.28Å; L609-A613 PolarHBondContact O-N 2.89Å; I610-A613 PolarHBondContact O-N 2.91Å; A613-K616 PolarHBondContact O-N 3.03Å; A613-H617 PolarHBondContact O-N 2.78Å; A613-Y622 HydrophobicContact CB-CE1 3.85Å; A613-Y622 HydrophobicContact CB-CE2 4.2Å; A613-Y622 WeakPolarHBondContact CB-OH 3.13Å; A613-Y622 PolarHBondContact O-OH 3.09Å
614T95.2Very high95.4Very high55 Ų5569.8 Ų69.834%0.33735%0.345SS..Hα-helixtrans-66.5-38.2174.3-57.10000111.3I610 I612 H617 P618 Y622I610-T614 WeakPolarHBondContact O-CB 3.47Å; I610-T614 PolarHBondContact O-N 2.97Å; I610-T614 PolarHBondContact O-OG1 3.14Å; I612-T614 VanDerWaalsContact C-N 3.32Å; I612-T614 PolarHBondContact O-N 2.79Å; T614-H617 CarbonylContact O-C 3.54Å; T614-P618 VanDerWaalsContact O-CA 3.3Å; T614-P618 WeakPolarHBondContact O-CA 3.36Å; T614-Y622 VanDerWaalsContact OG1-CD2 3.28Å; T614-Y622 WeakPolarHBondContact OG1-CD2 3.45Å
615L92.2Very high95.5Very high146 Ų14664.2 Ų64.276%0.76432%0.32SS*.Hα-helixtrans-69.6-34.8174.3-67.7171.4000112Q611 I612Q611-L615 WeakPolarHBondContact O-CG 3.48Å; Q611-L615 PolarHBondContact O-N 2.81Å; I612-L615 PolarHBondContact O-N 3.28Å
616K92.8Very high95.4Very high63 Ų6364.5 Ų64.527%0.27432%0.319SS..Hα-helixtrans-72.5-41178-165.6178.8-169.8161.30112.7S572 E573 L575 I612 A613S572-K616 VanDerWaalsContact O-CD 3.26Å; S572-K616 WeakPolarHBondContact O-CD 3.41Å; S572-K616 VanDerWaalsContact O-CE 3.29Å; S572-K616 WeakPolarHBondContact O-CE 3.39Å; S572-K616 PolarHBondContact O-NZ 2.88Å; S572-K616 WeakPolarHBondContact OG-CB 3.4Å; E573-K616 PolarHBondContact O-NZ 3.36Å; L575-K616 PolarHBondContact O-NZ 2.88Å; I612-K616 PolarHBondContact O-N 3.4Å; A613-K616 PolarHBondContact O-N 3.03Å
617H94.5Very high95.4Very high28 Ų2872.9 Ų72.913%0.1335%0.35CS..  trans-131.972.5-173.3-59.4-64.8000110.2E580 A613 T614 E619 R620E580-H617 IonicContact OE1-CD2 2.71Å; E580-H617 IonicContact OE1-CE1 3.91Å; E580-H617 IonicContact OE1-NE2 3.67Å; E580-H617 PolarHBondContact OE1-NE2 3.38Å; A613-H617 PolarHBondContact O-N 2.78Å; T614-H617 CarbonylContact O-C 3.54Å; H617-E619 VanDerWaalsContact CA-OE2 3.31Å; H617-E619 WeakPolarHBondContact CA-OE2 3.19Å; H617-E619 WeakPolarHBondContact CB-OE1 3.43Å; H617-E619 IonicContact CG-OE1 2.74Å; H617-E619 IonicContact ND1-OE1 3.63Å; H617-E619 PolarHBondContact O-N 2.92Å; H617-E619 VanDerWaalsContact O-N 3.1Å; H617-R620 HydrophobicContact CB-CB 4.34Å; H617-R620 HydrophobicContact CB-CG 3.89Å; H617-R620 PolarHBondContact CD2-NH1 3.36Å; H617-R620 PolarHBondContact CE1-NH2 2.93Å; H617-R620 VanDerWaalsContact CE1-NH2 3.33Å; H617-R620 PolarHBondContact ND1-NH2 2.85Å; H617-R620 PolarHBondContact O-N 3.13Å; H617-R620 VanDerWaalsContact O-N 3.11Å
618P92Very high95.3Very high104 Ų10473.1 Ų73.168%0.67535%0.351SS*.THydrogen-bonded Turntrans-63.6-15.1-176.527.2-35.8000113.6T614T614-P618 VanDerWaalsContact O-CA 3.3Å; T614-P618 WeakPolarHBondContact O-CA 3.36Å
619E94.2Very high95.2Very high127 Ų12767.6 Ų67.659%0.59333%0.327SS*.THydrogen-bonded Turntrans-80.8-10.6176.777.4-67.9164.600114.4H617H617-E619 VanDerWaalsContact CA-OE2 3.31Å; H617-E619 WeakPolarHBondContact CA-OE2 3.19Å; H617-E619 WeakPolarHBondContact CB-OE1 3.43Å; H617-E619 IonicContact CG-OE1 2.74Å; H617-E619 IonicContact ND1-OE1 3.63Å; H617-E619 PolarHBondContact O-N 2.92Å; H617-E619 VanDerWaalsContact O-N 3.1Å
620R94.5Very high95Very high78 Ų7870 Ų7029%0.29434%0.34SS..SBendtrans-93.6137.1-178.1-64.5179.5-163.7-175.50.7111.7E580 H617 Y622E580-R620 PolarHBondContact O-NH1 2.89Å; E580-R620 IonicContact OE1-NH1 3.9Å; H617-R620 HydrophobicContact CB-CB 4.34Å; H617-R620 HydrophobicContact CB-CG 3.89Å; H617-R620 PolarHBondContact CD2-NH1 3.36Å; H617-R620 PolarHBondContact CE1-NH2 2.93Å; H617-R620 VanDerWaalsContact CE1-NH2 3.33Å; H617-R620 PolarHBondContact ND1-NH2 2.85Å; H617-R620 PolarHBondContact O-N 3.13Å; H617-R620 VanDerWaalsContact O-N 3.11Å; R620-Y622 HydrophobicContact CB-CD2 4.27Å; R620-Y622 HydrophobicContact CB-CE2 3.62Å; R620-Y622 WeakPolarHBondContact CD-OH 3.27Å; R620-Y622 WeakPolarHBondContact O-CD2 3.46Å; R620-Y622 PolarHBondContact O-N 3.26Å
621E94.6Very high94.6Very high142 Ų14276.9 Ų76.966%0.66437%0.372SS*.  trans-89.297.9177.7-68.3-170.8173.300111.7N582 P624N582-E621 PolarHBondContact ND2-O 2.73Å; E621-P624 WeakPolarHBondContact O-CD 3.37Å
622Y96Very high94.6Very high5 Ų575.8 Ų75.82%0.0237%0.368CS..  trans-87.1-7.7179.6-66.6-80.3000114.4V579 N582 I610 A613 T614 R620 P624 M625 E626V579-Y622 VanDerWaalsContact O-CE1 3.29Å; V579-Y622 WeakPolarHBondContact O-CE1 3.48Å; N582-Y622 HydrophobicContact CB-CD1 4.15Å; N582-Y622 HydrophobicContact CB-CE1 3.68Å; N582-Y622 VanDerWaalsContact OD1-CD1 3.23Å; N582-Y622 WeakPolarHBondContact OD1-CD1 3.34Å; I610-Y622 HydrophobicContact CG2-CD1 4.46Å; I610-Y622 HydrophobicContact CG2-CG 4.07Å; A613-Y622 HydrophobicContact CB-CE1 3.85Å; A613-Y622 HydrophobicContact CB-CE2 4.2Å; A613-Y622 WeakPolarHBondContact CB-OH 3.13Å; A613-Y622 PolarHBondContact O-OH 3.09Å; T614-Y622 VanDerWaalsContact OG1-CD2 3.28Å; T614-Y622 WeakPolarHBondContact OG1-CD2 3.45Å; R620-Y622 HydrophobicContact CB-CD2 4.27Å; R620-Y622 HydrophobicContact CB-CE2 3.62Å; R620-Y622 WeakPolarHBondContact CD-OH 3.27Å; R620-Y622 WeakPolarHBondContact O-CD2 3.46Å; R620-Y622 PolarHBondContact O-N 3.26Å; Y622-P624 VanDerWaalsContact C-N 3.32Å; Y622-M625 WeakPolarHBondContact O-CB 3.46Å; Y622-M625 PolarHBondContact O-N 2.83Å; Y622-E626 PolarHBondContact O-N 2.76Å
623Q95.2Very high94.5Very high97 Ų9778 Ų7845%0.45338%0.378SS..Hα-helixtrans-54.7-37.4-176.5-5987.1-13.300113.9M625 E626 R627Q623-M625 VanDerWaalsContact C-N 3.31Å; Q623-M625 PolarHBondContact O-N 3.45Å; Q623-E626 PolarHBondContact O-N 3.09Å; Q623-R627 WeakPolarHBondContact O-CG 3.38Å; Q623-R627 PolarHBondContact O-N 3.36Å
624P96.8Very high94.4Very high59 Ų5982.3 Ų82.338%0.38340%0.399SS..Hα-helixtrans-59.5-40.3174.1-26.237.1000113.2L584 E621 Y622 K628L584-P624 HydrophobicContact CD2-CB 3.88Å; E621-P624 WeakPolarHBondContact O-CD 3.37Å; Y622-P624 VanDerWaalsContact C-N 3.32Å; P624-K628 PolarHBondContact O-N 3.16Å; P624-K628 VanDerWaalsContact O-N 3.16Å
625M97.3Very high94.4Very high0 Ų083.9 Ų83.90%040%0.403CS..Hα-helixtrans-70.9-41.5178-166-176.4-70.700111.7V579 L584 V587 I610 Y622 Q623 R627 K628 L629V579-M625 HydrophobicContact CB-SD 4.48Å; V579-M625 HydrophobicContact CG1-SD 4.28Å; V579-M625 HydrophobicContact CG2-SD 4.12Å; L584-M625 HydrophobicContact CD1-CB 4Å; L584-M625 HydrophobicContact CD1-CG 4.19Å; V587-M625 HydrophobicContact CB-CG 4.49Å; V587-M625 HydrophobicContact CG1-CG 4.17Å; V587-M625 HydrophobicContact CG2-CE 3.89Å; V587-M625 HydrophobicContact CG2-CG 4.49Å; V587-M625 HydrophobicContact CG2-SD 3.91Å; I610-M625 HydrophobicContact CD1-CB 4.05Å; I610-M625 HydrophobicContact CD1-CG 3.85Å; I610-M625 HydrophobicContact CD1-SD 3.91Å; I610-M625 HydrophobicContact CG1-SD 4.02Å; Y622-M625 WeakPolarHBondContact O-CB 3.46Å; Y622-M625 PolarHBondContact O-N 2.83Å; Q623-M625 VanDerWaalsContact C-N 3.31Å; Q623-M625 PolarHBondContact O-N 3.45Å; M625-R627 VanDerWaalsContact C-N 3.33Å; M625-R627 PolarHBondContact O-N 3.13Å; M625-K628 WeakPolarHBondContact O-CB 3.45Å; M625-K628 PolarHBondContact O-N 2.83Å; M625-K628 VanDerWaalsContact O-N 3.12Å; M625-L629 WeakPolarHBondContact O-CG 3.32Å; M625-L629 PolarHBondContact O-N 3.35Å
626E95.4Very high94.5Very high83 Ų8380.1 Ų80.139%0.38838%0.38SS..Hα-helixtrans-59-43.6174.2-67.5-177161.100112.2I610 Y622 Q623 K628 L629 N630I610-E626 HydrophobicContact CD1-CG 3.78Å; I610-E626 HydrophobicContact CG2-CG 3.83Å; I610-E626 WeakPolarHBondContact CG2-OE1 3.46Å; Y622-E626 PolarHBondContact O-N 2.76Å; Q623-E626 PolarHBondContact O-N 3.09Å; E626-K628 VanDerWaalsContact C-N 3.29Å; E626-K628 PolarHBondContact O-N 2.96Å; E626-L629 PolarHBondContact O-N 3.11Å; E626-N630 PolarHBondContact O-N 2.96Å; E626-N630 PolarHBondContact O-ND2 3.18Å; E626-N630 VanDerWaalsContact O-ND2 3.07Å
627R96Very high94.6Very high180 Ų18081.2 Ų81.268%0.67939%0.387SS*.Hα-helixtrans-60.5-40.8175.4-72.6176.8-169.9170.25.3111.4Q623 M625 N630 Q631Q623-R627 WeakPolarHBondContact O-CG 3.38Å; Q623-R627 PolarHBondContact O-N 3.36Å; M625-R627 VanDerWaalsContact C-N 3.33Å; M625-R627 PolarHBondContact O-N 3.13Å; R627-N630 PolarHBondContact O-N 2.97Å; R627-Q631 WeakPolarHBondContact O-CG 3.44Å; R627-Q631 PolarHBondContact O-N 3.2Å
628K95.3Very high94.6Very high58 Ų5885 Ų8525%0.25241%0.406SS..Hα-helixtrans-65.3-37.6178.8-177.557.2177.3176.10112.5L584 L591 P624 M625 E626 N630 Q631L584-K628 HydrophobicContact CD1-CB 4.01Å; L584-K628 HydrophobicContact CD1-CG 4.34Å; L591-K628 HydrophobicContact CD1-CG 4.03Å; P624-K628 PolarHBondContact O-N 3.16Å; P624-K628 VanDerWaalsContact O-N 3.16Å; M625-K628 WeakPolarHBondContact O-CB 3.45Å; M625-K628 PolarHBondContact O-N 2.83Å; M625-K628 VanDerWaalsContact O-N 3.12Å; E626-K628 VanDerWaalsContact C-N 3.29Å; E626-K628 PolarHBondContact O-N 2.96Å; K628-N630 VanDerWaalsContact C-N 3.27Å; K628-N630 PolarHBondContact O-N 2.83Å; K628-Q631 PolarHBondContact O-N 2.82Å
629L95.4Very high94.9Very high1 Ų183.5 Ų83.51%0.00539%0.385CS..Hα-helixtrans-72.1-20.2177.7-65.9167.2000113.7V587 L591 R603 T606 K607 I610 M625 E626V587-L629 HydrophobicContact CG1-CD2 4.19Å; L591-L629 HydrophobicContact CD1-CD2 4.14Å; R603-L629 HydrophobicContact CG-CD2 4.24Å; T606-L629 HydrophobicContact CG2-CD1 3.6Å; T606-L629 HydrophobicContact CG2-CD2 3.89Å; T606-L629 HydrophobicContact CG2-CG 4.36Å; K607-L629 HydrophobicContact CG-CB 4.28Å; K607-L629 HydrophobicContact CG-CD1 4.01Å; I610-L629 HydrophobicContact CD1-CD1 3.44Å; I610-L629 VanDerWaalsContact CD1-CD1 3.44Å; M625-L629 WeakPolarHBondContact O-CG 3.32Å; M625-L629 PolarHBondContact O-N 3.35Å; E626-L629 PolarHBondContact O-N 3.11Å
630N93.2Very high94.9Very high112 Ų11279.9 Ų79.960%0.59937%0.368SS*.THydrogen-bonded Turntrans-92.4-7.8178.3-70-36000113.9K607 E626 R627 K628K607-N630 WeakPolarHBondContact CE-OD1 3.36Å; K607-N630 PolarHBondContact NZ-OD1 3.06Å; E626-N630 PolarHBondContact O-N 2.96Å; E626-N630 PolarHBondContact O-ND2 3.18Å; E626-N630 VanDerWaalsContact O-ND2 3.07Å; R627-N630 PolarHBondContact O-N 2.97Å; K628-N630 VanDerWaalsContact C-N 3.27Å; K628-N630 PolarHBondContact O-N 2.83Å
631Q89.2Confident94.9Very high144 Ų14480.1 Ų80.167%0.67337%0.374SS*.  trans-85.60164.9-64.1167.16.200107.4R603 R627 K628R603-Q631 VanDerWaalsContact NH1-C 3.25Å; R603-Q631 PolarHBondContact NH1-O 3.31Å; R603-Q631 PolarHBondContact NH1-OXT 3.19Å; R603-Q631 PolarHBondContact NH2-O 2.91Å; R603-Q631 PolarHBondContact NH2-OXT 3.4Å; R627-Q631 WeakPolarHBondContact O-CG 3.44Å; R627-Q631 PolarHBondContact O-N 3.2Å; K628-Q631 PolarHBondContact O-N 2.82Å

Retrieved 631 of 631 residues in 3830.3 ms (Link to these results)

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