A0A060XII5_ONCMY Loading...

NADP-dependent oxidoreductase domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XII5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110493394, Length 326 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
1M58.8Low91.5Very high179 Ų17982.9 Ų82.988%0.88244%0.439SS*.  0126.30-85.8179.6-96.300107.7L3 V10M1-L3 HydrophobicContact CB-CD2 4.31Å; M1-L3 PolarHBondContact O-N 2.98Å; M1-L3 VanDerWaalsContact O-N 3.08Å; M1-V10 HydrophobicContact SD-CG1 4.46Å
2N84.3Confident92.1Very high161 Ų16176.7 Ų76.786%0.86141%0.406SS*.  trans-77.591.8173.4-73.6-6.9000108.4
3L92.7Very high92.6Very high27 Ų2775.2 Ų75.214%0.14141%0.406CS..  trans-78.9127.7176.2-60.1175.9000109.2M1 L20 V264 F287M1-L3 HydrophobicContact CB-CD2 4.31Å; M1-L3 PolarHBondContact O-N 2.98Å; M1-L3 VanDerWaalsContact O-N 3.08Å; L3-L20 HydrophobicContact CD1-CD1 3.45Å; L3-L20 VanDerWaalsContact CD1-CD1 3.45Å; L3-L20 HydrophobicContact CD2-CD1 3.64Å; L3-L20 HydrophobicContact CG-CD1 4.2Å; L3-V264 HydrophobicContact CD1-CG1 3.6Å; L3-F287 HydrophobicContact CB-CD1 4.07Å; L3-F287 HydrophobicContact CB-CE1 4.26Å
4T96.3Very high93Very high52 Ų5273.4 Ų73.432%0.31940%0.396SS..  trans-126.4165.217957.60000110.2E6 K7 H8T4-E6 PolarHBondContact O-N 3.48Å; T4-K7 PolarHBondContact N-O 3.08Å; T4-K7 CarbonylContact O-C 3.47Å; T4-K7 VanDerWaalsContact O-C 3.32Å; T4-K7 PolarHBondContact O-N 3.04Å; T4-K7 WeakPolarHBondContact OG1-CB 3.35Å; T4-K7 PolarHBondContact OG1-N 3.03Å; T4-K7 PolarHBondContact OG1-O 2.96Å; T4-H8 WeakPolarHBondContact O-CB 3.47Å; T4-H8 PolarHBondContact O-ND1 3.21Å
5A95.4Very high93.4Very high35 Ų3573 Ų7329%0.28942%0.415SS..SBendtrans-57.2-30.8175.100000112H8 F284 F287A5-H8 PolarHBondContact O-CE1 2.77Å; A5-H8 PolarHBondContact O-ND1 3.18Å; A5-F284 HydrophobicContact CB-CE1 4.03Å; A5-F284 HydrophobicContact CB-CZ 4.5Å; A5-F287 HydrophobicContact CB-CD2 4.24Å
6E94.6Very high93.7Very high156 Ų15671.9 Ų71.973%0.72941%0.408SS*.SBendtrans-88.2-30.5180-57.771.5-155.400112.7T4T4-E6 PolarHBondContact O-N 3.48Å
7K94.1Very high94Very high166 Ų16675.8 Ų75.872%0.72242%0.415SS*.  trans-133.489.9-175.5-62.3-179.3-177.9177.20110.9T4T4-K7 PolarHBondContact N-O 3.08Å; T4-K7 CarbonylContact O-C 3.47Å; T4-K7 VanDerWaalsContact O-C 3.32Å; T4-K7 PolarHBondContact O-N 3.04Å; T4-K7 WeakPolarHBondContact OG1-CB 3.35Å; T4-K7 PolarHBondContact OG1-N 3.03Å; T4-K7 PolarHBondContact OG1-O 2.96Å
8H97.2Very high94.3Very high8 Ų871.6 Ų71.64%0.03739%0.391CS..  trans-133.927-179.952.9-90.6000113.4T4 A5 L20 F284 F287T4-H8 WeakPolarHBondContact O-CB 3.47Å; T4-H8 PolarHBondContact O-ND1 3.21Å; A5-H8 PolarHBondContact O-CE1 2.77Å; A5-H8 PolarHBondContact O-ND1 3.18Å; H8-L20 VanDerWaalsContact O-CB 3.25Å; H8-L20 WeakPolarHBondContact O-CB 3.32Å; H8-L20 WeakPolarHBondContact O-CG 3.44Å; H8-L20 PolarHBondContact O-N 3.18Å; H8-F284 AromaticContact CE1-CZ 3.92Å; H8-F287 HydrophobicContact CB-CD1 4.36Å; H8-F287 HydrophobicContact CB-CE1 3.51Å; H8-F287 HydrophobicContact CB-CZ 3.65Å; H8-F287 AromaticContact CG-CZ 3.64Å
9S97.7Very high94.5Very high40 Ų4068.2 Ų68.228%0.2837%0.374SS..EExtended strand (participates in β ladder)trans-93.1143.9175.8-63.70000112.9R17 I18 P19S9-R17 PolarHBondContact O-NH2 2.98Å; S9-I18 CarbonylContact C-O 3.32Å; S9-I18 WeakPolarHBondContact CA-O 3.37Å; S9-I18 WeakPolarHBondContact CB-O 3.42Å; S9-P19 WeakPolarHBondContact OG-CA 3.28Å
10V97.1Very high94.7Very high12 Ų1265 Ų657%0.07336%0.356CS..EExtended strand (participates in β ladder)trans-110.5152.5173.3-70.90000111.2M1 R17 I18 L20 V269M1-V10 HydrophobicContact SD-CG1 4.46Å; V10-R17 VanDerWaalsContact O-CA 3.3Å; V10-R17 WeakPolarHBondContact O-CA 3.27Å; V10-I18 HydrophobicContact CG2-CG2 3.64Å; V10-I18 PolarHBondContact N-O 3.41Å; V10-I18 PolarHBondContact O-N 3.14Å; V10-L20 HydrophobicContact CB-CD2 4.41Å; V10-L20 HydrophobicContact CB-CG 4.44Å; V10-L20 HydrophobicContact CG1-CD1 3.63Å; V10-L20 HydrophobicContact CG1-CD2 3.79Å; V10-L20 HydrophobicContact CG1-CG 3.67Å; V10-L20 HydrophobicContact CG2-CD2 3.74Å; V10-L20 HydrophobicContact CG2-CG 4.04Å; V10-V269 HydrophobicContact CG2-CG2 4.46Å
11P98.1Very high94.9Very high76 Ų7661.9 Ų61.949%0.49434%0.339SS..EExtended strand (participates in β ladder)trans-68.6143.1177.329.8-35.1000111.5
12L98.8Very high96.8Very high8 Ų853.3 Ų53.34%0.04230%0.297CS..  trans-95.9157163.4-65.8172.4000109D14 G15 N16 I18 F83 V190 V215L12-D14 WeakPolarHBondContact CB-OD1 3.46Å; L12-D14 PolarHBondContact O-N 3.23Å; L12-G15 PolarHBondContact O-N 2.75Å; L12-G15 VanDerWaalsContact O-N 3.15Å; L12-N16 HydrophobicContact CB-CB 4.43Å; L12-N16 HydrophobicContact CD1-CB 4.07Å; L12-N16 PolarHBondContact N-O 2.9Å; L12-I18 HydrophobicContact CD1-CB 4.11Å; L12-I18 HydrophobicContact CD1-CG2 4.41Å; L12-I18 HydrophobicContact CD2-CB 4.21Å; L12-I18 HydrophobicContact CD2-CG2 3.63Å; L12-I18 HydrophobicContact CG-CB 4.2Å; L12-I18 HydrophobicContact CG-CG2 3.95Å; L12-F83 HydrophobicContact CD1-CE2 4.3Å; L12-F83 HydrophobicContact CD1-CZ 4.47Å; L12-V190 HydrophobicContact CB-CB 4.12Å; L12-V190 HydrophobicContact CB-CG2 4.2Å; L12-V190 HydrophobicContact CD1-CG2 3.94Å; L12-V190 HydrophobicContact CD2-CB 4.14Å; L12-V190 HydrophobicContact CD2-CG2 3.83Å; L12-V190 HydrophobicContact CG-CG2 4.2Å; L12-V215 HydrophobicContact CD2-CB 4.18Å; L12-V215 HydrophobicContact CD2-CG2 3.93Å
13S98.6Very high97.5Very high58 Ų5845.7 Ų45.741%0.40626%0.256SS..THydrogen-bonded Turntrans-69.6-11.6-175.247.10000114.5N213S13-N213 VanDerWaalsContact CB-O 3.32Å; S13-N213 WeakPolarHBondContact CB-O 3.22Å; S13-N213 PolarHBondContact OG-O 2.72Å; S13-N213 VanDerWaalsContact OG-O 3.09Å
14D98.6Very high97.7Very high50 Ų5044.6 Ų44.627%0.26725%0.252SS..THydrogen-bonded Turntrans-95.29.1174.769.6-10000113.8L12 N16 K158 S165 V190L12-D14 WeakPolarHBondContact CB-OD1 3.46Å; L12-D14 PolarHBondContact O-N 3.23Å; D14-N16 VanDerWaalsContact C-N 3.34Å; D14-N16 WeakPolarHBondContact OD1-CB 3.31Å; D14-N16 PolarHBondContact OD1-N 2.62Å; D14-N16 VanDerWaalsContact OD1-N 3.17Å; D14-N16 PolarHBondContact OD1-ND2 3.37Å; D14-N16 PolarHBondContact OD2-ND2 3.13Å; D14-K158 IonicContact OD2-NZ 2.75Å; D14-K158 PolarHBondContact OD2-NZ 3.16Å; D14-S165 PolarHBondContact OD2-OG 2.79Å; D14-V190 HydrophobicContact CB-CG1 3.89Å
15G98.4Very high97.9Very high67 Ų6742.1 Ų42.169%0.69124%0.236SC*.SBendtrans89.6-11.4178.800000114.7L12L12-G15 PolarHBondContact O-N 2.75Å; L12-G15 VanDerWaalsContact O-N 3.15Å
16N98.7Very high98Very high55 Ų5544 Ų4429%0.29424%0.236SC..  trans-71.7177.4171.6-68.1-50.2000111.4L12 D14 K164 S165L12-N16 HydrophobicContact CB-CB 4.43Å; L12-N16 HydrophobicContact CD1-CB 4.07Å; L12-N16 PolarHBondContact N-O 2.9Å; D14-N16 VanDerWaalsContact C-N 3.34Å; D14-N16 WeakPolarHBondContact OD1-CB 3.31Å; D14-N16 PolarHBondContact OD1-N 2.62Å; D14-N16 VanDerWaalsContact OD1-N 3.17Å; D14-N16 PolarHBondContact OD1-ND2 3.37Å; D14-N16 PolarHBondContact OD2-ND2 3.13Å; N16-K164 PolarHBondContact ND2-O 3.47Å; N16-S165 PolarHBondContact ND2-OG 3.31Å
17R98.5Very high97.9Very high138 Ų13836.7 Ų36.752%0.52120%0.203SC..EExtended strand (participates in β ladder)trans-132145.3176.2-54.2-173.268.877.91.4110.5S9 V10 F83S9-R17 PolarHBondContact O-NH2 2.98Å; V10-R17 VanDerWaalsContact O-CA 3.3Å; V10-R17 WeakPolarHBondContact O-CA 3.27Å; R17-F83 WeakPolarHBondContact O-CD2 3.46Å; R17-F83 WeakPolarHBondContact O-CE2 3.3Å
18I98.8Very high97.8Very high0 Ų029.9 Ų29.90%018%0.175CC..EExtended strand (participates in β ladder)trans-119.7130175.4-175.2167.2000110S9 V10 L12 L20 F83 L116 V215 V217 V269S9-I18 CarbonylContact C-O 3.32Å; S9-I18 WeakPolarHBondContact CA-O 3.37Å; S9-I18 WeakPolarHBondContact CB-O 3.42Å; V10-I18 HydrophobicContact CG2-CG2 3.64Å; V10-I18 PolarHBondContact N-O 3.41Å; V10-I18 PolarHBondContact O-N 3.14Å; L12-I18 HydrophobicContact CD1-CB 4.11Å; L12-I18 HydrophobicContact CD1-CG2 4.41Å; L12-I18 HydrophobicContact CD2-CB 4.21Å; L12-I18 HydrophobicContact CD2-CG2 3.63Å; L12-I18 HydrophobicContact CG-CB 4.2Å; L12-I18 HydrophobicContact CG-CG2 3.95Å; I18-L20 PolarHBondContact O-N 2.87Å; I18-F83 HydrophobicContact CB-CE2 3.94Å; I18-F83 HydrophobicContact CB-CZ 3.99Å; I18-F83 HydrophobicContact CD1-CE1 3.78Å; I18-F83 HydrophobicContact CD1-CE2 4.5Å; I18-F83 HydrophobicContact CD1-CZ 3.71Å; I18-F83 HydrophobicContact CG1-CD1 4.31Å; I18-F83 HydrophobicContact CG1-CD2 4.45Å; I18-F83 HydrophobicContact CG1-CE1 3.88Å; I18-F83 HydrophobicContact CG1-CE2 4.04Å; I18-F83 HydrophobicContact CG1-CZ 3.71Å; I18-L116 HydrophobicContact CD1-CD2 4.48Å; I18-V215 HydrophobicContact CG2-CG1 4.43Å; I18-V217 HydrophobicContact CD1-CG2 4.14Å; I18-V269 HydrophobicContact CD1-CG1 4.25Å; I18-V269 HydrophobicContact CD1-CG2 4.17Å; I18-V269 HydrophobicContact CG1-CG1 4.48Å; I18-V269 HydrophobicContact CG1-CG2 4.34Å; I18-V269 HydrophobicContact CG2-CG2 4Å
19P98.7Very high97.5Very high8 Ų833 Ų335%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-61.8128168.8-21.733.6000110.7S9 F21 R50 H51 F83 V269S9-P19 WeakPolarHBondContact OG-CA 3.28Å; P19-F21 PolarHBondContact O-N 2.69Å; P19-R50 HydrophobicContact CG-CB 4.24Å; P19-H51 HydrophobicContact CB-CB 3.76Å; P19-H51 HydrophobicContact CG-CB 3.84Å; P19-H51 PolarHBondContact O-ND1 3.49Å; P19-H51 VanDerWaalsContact O-ND1 3.12Å; P19-F83 HydrophobicContact CG-CB 4.15Å; P19-V269 WeakPolarHBondContact O-CG1 3.45Å
20L98Very high97.1Very high3 Ų339.7 Ų39.72%0.01621%0.214CC..SBendtrans-62.1-13.2178.7-79.6170.9000113.7L3 H8 V10 I18 V264 V269 V270L3-L20 HydrophobicContact CD1-CD1 3.45Å; L3-L20 VanDerWaalsContact CD1-CD1 3.45Å; L3-L20 HydrophobicContact CD2-CD1 3.64Å; L3-L20 HydrophobicContact CG-CD1 4.2Å; H8-L20 VanDerWaalsContact O-CB 3.25Å; H8-L20 WeakPolarHBondContact O-CB 3.32Å; H8-L20 WeakPolarHBondContact O-CG 3.44Å; H8-L20 PolarHBondContact O-N 3.18Å; V10-L20 HydrophobicContact CB-CD2 4.41Å; V10-L20 HydrophobicContact CB-CG 4.44Å; V10-L20 HydrophobicContact CG1-CD1 3.63Å; V10-L20 HydrophobicContact CG1-CD2 3.79Å; V10-L20 HydrophobicContact CG1-CG 3.67Å; V10-L20 HydrophobicContact CG2-CD2 3.74Å; V10-L20 HydrophobicContact CG2-CG 4.04Å; I18-L20 PolarHBondContact O-N 2.87Å; L20-V264 HydrophobicContact CB-CG1 4.27Å; L20-V264 HydrophobicContact CD1-CG1 4.16Å; L20-V269 HydrophobicContact CD2-CG2 3.9Å; L20-V269 CarbonylContact O-C 3.56Å; L20-V269 WeakPolarHBondContact O-CA 3.49Å; L20-V270 PolarHBondContact O-N 3.06Å
21F98.8Very high97Very high0 Ų044.1 Ų44.10%024%0.242CC..BIsolated β-bridgetrans-131.3124-178.4-157.3-77.3000109.8P19 Y49 L260 V264 V270 P272 N283 F284 I286 F287P19-F21 PolarHBondContact O-N 2.69Å; F21-Y49 AromaticContact CD1-CD1 3.99Å; F21-Y49 HydrophobicContact CD1-CD1 3.99Å; F21-Y49 AromaticContact CD1-CE1 3.53Å; F21-Y49 HydrophobicContact CD1-CE1 3.53Å; F21-Y49 HydrophobicContact CE1-CD1 4.19Å; F21-Y49 AromaticContact CE1-CE1 3.28Å; F21-Y49 HydrophobicContact CE1-CE1 3.28Å; F21-Y49 AromaticContact CE1-CZ 3.5Å; F21-Y49 VanDerWaalsContact CE1-CZ 3.5Å; F21-Y49 WeakPolarHBondContact CE1-OH 3.35Å; F21-L260 HydrophobicContact CE2-CB 4.13Å; F21-L260 HydrophobicContact CE2-CD1 3.94Å; F21-L260 HydrophobicContact CE2-CD2 4.15Å; F21-L260 HydrophobicContact CE2-CG 4.29Å; F21-L260 HydrophobicContact CZ-CD1 3.89Å; F21-L260 HydrophobicContact CZ-CD2 4.45Å; F21-V264 HydrophobicContact CD2-CG2 4.24Å; F21-V270 WeakPolarHBondContact CA-O 3.47Å; F21-V270 HydrophobicContact CD2-CG2 3.32Å; F21-V270 HydrophobicContact CE2-CG2 3.57Å; F21-V270 HydrophobicContact CG-CG2 4.07Å; F21-V270 HydrophobicContact CZ-CG2 4.44Å; F21-P272 HydrophobicContact CE1-CG 3.63Å; F21-P272 HydrophobicContact CE2-CG 4.15Å; F21-P272 HydrophobicContact CZ-CG 3.36Å; F21-N283 VanDerWaalsContact CE2-O 3.29Å; F21-N283 WeakPolarHBondContact CE2-O 3.32Å; F21-N283 HydrophobicContact CZ-CB 4.03Å; F21-N283 WeakPolarHBondContact CZ-O 3.49Å; F21-F284 AromaticContact CD1-CD2 3.85Å; F21-F284 HydrophobicContact CD1-CD2 3.85Å; F21-F284 HydrophobicContact CD1-CE2 4.39Å; F21-F284 HydrophobicContact CE1-CD2 4.22Å; F21-F284 HydrophobicContact CG-CD2 4.36Å; F21-I286 HydrophobicContact CD2-CD1 3.46Å; F21-I286 VanDerWaalsContact CD2-CD1 3.46Å; F21-I286 HydrophobicContact CD2-CG1 4.1Å; F21-I286 HydrophobicContact CE2-CD1 3.6Å; F21-I286 HydrophobicContact CE2-CG1 4.03Å; F21-F287 HydrophobicContact CB-CZ 4.06Å
22G98.8Very high96.9Very high0 Ų042.4 Ų42.40%023%0.23CC..  trans-133.4174.2175.700000113.1H51 V270 I271 P272G22-H51 CarbonylContact C-O 3.44Å; G22-H51 WeakPolarHBondContact CA-O 3.33Å; G22-V270 PolarHBondContact N-O 3.31Å; G22-I271 WeakPolarHBondContact O-CA 3.19Å; G22-P272 VanDerWaalsContact O-CD 3.27Å; G22-P272 WeakPolarHBondContact O-CD 3.45Å
23L98.9Very high96.9Very high0 Ų046.3 Ų46.30%026%0.255CS..EExtended strand (participates in β ladder)trans-102.5118.3173-179.472000109.2V41 A44 Y49 H51 F52 D53 I280L23-V41 HydrophobicContact CD2-CG2 4.04Å; L23-A44 HydrophobicContact CD2-CB 3.8Å; L23-Y49 HydrophobicContact CB-CD1 3.85Å; L23-Y49 HydrophobicContact CB-CE1 4Å; L23-Y49 HydrophobicContact CD1-CE1 4.47Å; L23-H51 PolarHBondContact N-O 2.86Å; L23-F52 HydrophobicContact CB-CD1 3.89Å; L23-F52 HydrophobicContact CB-CE1 4.03Å; L23-F52 HydrophobicContact CD2-CD1 4.14Å; L23-F52 HydrophobicContact CD2-CE1 4.07Å; L23-D53 PolarHBondContact O-N 3.42Å; L23-I280 HydrophobicContact CD1-CG1 4.38Å
24G98.8Very high96.8Very high5 Ų555 Ų555%0.05228%0.279CS..EExtended strand (participates in β ladder)trans-72.4141.9165.900000110.7I271 P272 K273G24-I271 PolarHBondContact N-O 2.81Å; G24-P272 PolarHBondContact N-O 3.07Å; G24-P272 VanDerWaalsContact N-O 3.1Å; G24-K273 WeakPolarHBondContact O-CA 3.48Å; G24-K273 WeakPolarHBondContact O-CB 3.4Å; G24-K273 WeakPolarHBondContact O-CG 3.5Å
25T98.6Very high96.8Very high0 Ų053.5 Ų53.50%028%0.276CS..  trans-116.64-173.660.90000114.9G27 V41 D53 G54 N60 V64 F275T25-G27 PolarHBondContact O-N 3.17Å; T25-V41 HydrophobicContact CG2-CG2 4.11Å; T25-D53 WeakPolarHBondContact CB-O 3.18Å; T25-D53 WeakPolarHBondContact CG2-O 3.44Å; T25-D53 PolarHBondContact N-O 2.94Å; T25-D53 PolarHBondContact OG1-O 3.09Å; T25-G54 VanDerWaalsContact OG1-CA 3.22Å; T25-G54 WeakPolarHBondContact OG1-CA 3.1Å; T25-N60 PolarHBondContact O-ND2 3.36Å; T25-V64 HydrophobicContact CG2-CG2 3.93Å; T25-F275 WeakPolarHBondContact O-CZ 3.3Å
26Y97.7Very high96.8Very high74 Ų7451.7 Ų51.729%0.2925%0.251SS..  trans-58.2128172.8173.6-103.3000111.9Y58 W230 K273Y26-Y58 AromaticContact CD2-CD1 3.69Å; Y26-Y58 HydrophobicContact CD2-CD1 3.69Å; Y26-Y58 AromaticContact CD2-CE1 3.98Å; Y26-Y58 HydrophobicContact CD2-CE1 3.98Å; Y26-Y58 HydrophobicContact CD2-CG 4.15Å; Y26-Y58 HydrophobicContact CG-CD1 4.5Å; Y26-W230 HydrophobicContact CE1-CZ2 4.05Å; Y26-K273 VanDerWaalsContact O-CD 3.25Å; Y26-K273 WeakPolarHBondContact O-CD 3.43Å; Y26-K273 WeakPolarHBondContact O-CE 3.4Å; Y26-K273 WeakPolarHBondContact O-CG 3.29Å; Y26-K273 PolarHBondContact O-NZ 3.15Å
27G92.3Very high96.7Very high3 Ų349.1 Ų49.13%0.03124%0.237CC..  trans-143.2142.5165.700000108.6T25 P29T25-G27 PolarHBondContact O-N 3.17Å; G27-P29 VanDerWaalsContact O-CD 3.28Å; G27-P29 WeakPolarHBondContact O-CD 3.25Å
28D92.6Very high96.8Very high23 Ų2343.7 Ų43.712%0.12322%0.219CC..  trans-58.7115.6178.2177-7.1000108.8R30 T31 T32D28-R30 PolarHBondContact O-N 2.97Å; D28-R30 VanDerWaalsContact O-N 3.13Å; D28-R30 VanDerWaalsContact OD1-CB 3.26Å; D28-R30 WeakPolarHBondContact OD1-CB 3.45Å; D28-R30 WeakPolarHBondContact OD1-CG 3.42Å; D28-R30 IonicContact OD1-CZ 3.36Å; D28-R30 PolarHBondContact OD1-N 2.89Å; D28-R30 IonicContact OD1-NE 3.19Å; D28-R30 PolarHBondContact OD1-NE 3.39Å; D28-R30 IonicContact OD1-NH2 2.76Å; D28-R30 IonicContact OD2-CZ 3.2Å; D28-R30 IonicContact OD2-NE 3.55Å; D28-R30 PolarHBondContact OD2-NE 2.83Å; D28-R30 IonicContact OD2-NH2 2.8Å; D28-R30 PolarHBondContact OD2-NH2 2.97Å; D28-T31 WeakPolarHBondContact CB-OG1 3.48Å; D28-T31 PolarHBondContact O-N 2.94Å; D28-T31 VanDerWaalsContact O-N 3.14Å; D28-T32 PolarHBondContact N-OG1 2.85Å; D28-T32 WeakPolarHBondContact O-CB 3.19Å; D28-T32 PolarHBondContact O-N 2.85Å; D28-T32 PolarHBondContact O-OG1 3.19Å
29P90.3Very high96.8Very high72 Ų7248.7 Ų48.747%0.46825%0.245SC..THydrogen-bonded Turntrans-65.7-16.5-174.627.1-35.5000112.8G27 F59G27-P29 VanDerWaalsContact O-CD 3.28Å; G27-P29 WeakPolarHBondContact O-CD 3.25Å; P29-F59 HydrophobicContact CB-CB 4.44Å; P29-F59 HydrophobicContact CB-CD2 4.2Å; P29-F59 HydrophobicContact CG-CD2 4.03Å; P29-F59 HydrophobicContact CG-CE2 4.46Å
30R91.1Very high96.8Very high182 Ų18248.6 Ų48.669%0.68725%0.245SC*.THydrogen-bonded Turntrans-78-27178-57.6169.2-64.4-176.73.6112.5D28D28-R30 PolarHBondContact O-N 2.97Å; D28-R30 VanDerWaalsContact O-N 3.13Å; D28-R30 VanDerWaalsContact OD1-CB 3.26Å; D28-R30 WeakPolarHBondContact OD1-CB 3.45Å; D28-R30 WeakPolarHBondContact OD1-CG 3.42Å; D28-R30 IonicContact OD1-CZ 3.36Å; D28-R30 PolarHBondContact OD1-N 2.89Å; D28-R30 IonicContact OD1-NE 3.19Å; D28-R30 PolarHBondContact OD1-NE 3.39Å; D28-R30 IonicContact OD1-NH2 2.76Å; D28-R30 IonicContact OD2-CZ 3.2Å; D28-R30 IonicContact OD2-NE 3.55Å; D28-R30 PolarHBondContact OD2-NE 2.83Å; D28-R30 IonicContact OD2-NH2 2.8Å; D28-R30 PolarHBondContact OD2-NH2 2.97Å
31T94.4Very high96.8Very high105 Ų10548.5 Ų48.564%0.64425%0.245SC*.THydrogen-bonded Turntrans-123.1-16.7-171.158.90000113.5D28 P33D28-T31 WeakPolarHBondContact CB-OG1 3.48Å; D28-T31 PolarHBondContact O-N 2.94Å; D28-T31 VanDerWaalsContact O-N 3.14Å; T31-P33 WeakPolarHBondContact O-CD 3.46Å
32T96.4Very high96.8Very high40 Ų4051.4 Ų51.425%0.24526%0.257CS..SBendtrans-81.4121179-57.10000110.2D28 T36 F275D28-T32 PolarHBondContact N-OG1 2.85Å; D28-T32 WeakPolarHBondContact O-CB 3.19Å; D28-T32 PolarHBondContact O-N 2.85Å; D28-T32 PolarHBondContact O-OG1 3.19Å; T32-T36 HydrophobicContact CG2-CG2 4.2Å; T32-F275 HydrophobicContact CG2-CD2 4.04Å; T32-F275 HydrophobicContact CG2-CE2 3.74Å
33P97.4Very high96.8Very high89 Ų8954 Ų5458%0.57827%0.269SS*.PPolyproline II helixtrans-62.9145176.8-22.434000112.4T31 T36T31-P33 WeakPolarHBondContact O-CD 3.46Å; P33-T36 WeakPolarHBondContact O-CB 3.31Å; P33-T36 PolarHBondContact O-N 3.19Å; P33-T36 PolarHBondContact O-OG1 2.75Å
34R96.8Very high96.8Very high241 Ų24154 Ų5491%0.90927%0.269SS*.THydrogen-bonded Turntrans-58.2144.2172.4-66.3-173.5179.9-161.70.1111.2T36R34-T36 PolarHBondContact O-N 3.11Å
35G98Very high96.8Very high18 Ų1853.8 Ų53.819%0.18627%0.267CS..THydrogen-bonded Turntrans80.7-4.1-17700000114.2L38 N39 E63G35-L38 PolarHBondContact O-N 3.18Å; G35-N39 PolarHBondContact O-N 3.27Å; G35-N39 PolarHBondContact O-ND2 2.91Å; G35-N39 VanDerWaalsContact O-ND2 3.13Å; G35-E63 VanDerWaalsContact C-OE2 3.24Å; G35-E63 VanDerWaalsContact CA-OE2 3.23Å; G35-E63 WeakPolarHBondContact CA-OE2 3.43Å; G35-E63 PolarHBondContact N-OE1 2.76Å; G35-E63 PolarHBondContact N-OE2 2.85Å
36T98.3Very high96.8Very high29 Ų2958.1 Ų58.118%0.17829%0.29CS..Hα-helixtrans-66.3-41.4179.6-58.10000111.6T32 P33 R34 S40 E63 F275T32-T36 HydrophobicContact CG2-CG2 4.2Å; P33-T36 WeakPolarHBondContact O-CB 3.31Å; P33-T36 PolarHBondContact O-N 3.19Å; P33-T36 PolarHBondContact O-OG1 2.75Å; R34-T36 PolarHBondContact O-N 3.11Å; T36-S40 VanDerWaalsContact O-CB 3.27Å; T36-S40 WeakPolarHBondContact O-CB 3.14Å; T36-S40 PolarHBondContact O-N 3.01Å; T36-S40 PolarHBondContact O-OG 2.7Å; T36-E63 PolarHBondContact N-OE2 2.68Å; T36-F275 HydrophobicContact CG2-CB 3.51Å; T36-F275 HydrophobicContact CG2-CD1 4.28Å; T36-F275 HydrophobicContact CG2-CD2 3.3Å; T36-F275 HydrophobicContact CG2-CE2 4Å; T36-F275 HydrophobicContact CG2-CG 3.46Å; T36-F275 VanDerWaalsContact CG2-CG 3.46Å
37A98.5Very high96.9Very high1 Ų156.2 Ų56.21%0.00829%0.286CS..Hα-helixtrans-70.4-40.7178.400000110.3N39 S40 V41 N60 E63 F275A37-N39 PolarHBondContact O-N 3.42Å; A37-S40 PolarHBondContact O-N 3.27Å; A37-V41 WeakPolarHBondContact O-CB 3.2Å; A37-V41 VanDerWaalsContact O-CG2 3.25Å; A37-V41 WeakPolarHBondContact O-CG2 3.36Å; A37-V41 PolarHBondContact O-N 3.07Å; A37-N60 HydrophobicContact CB-CB 4.08Å; A37-E63 WeakPolarHBondContact CA-OE2 3.49Å; A37-E63 HydrophobicContact CB-CB 4Å; A37-E63 WeakPolarHBondContact CB-OE2 3.48Å; A37-E63 PolarHBondContact N-OE2 3.37Å; A37-F275 HydrophobicContact CB-CE1 4.23Å; A37-F275 HydrophobicContact CB-CZ 3.96Å
38L98.8Very high97.2Very high24 Ų2456.9 Ų56.913%0.12629%0.293CS..Hα-helixtrans-52.7-55.8174.517059.1000111.3G35 S40 V41 K42 E63 Q66 A67G35-L38 PolarHBondContact O-N 3.18Å; L38-S40 VanDerWaalsContact C-N 3.34Å; L38-S40 PolarHBondContact O-N 3.45Å; L38-V41 PolarHBondContact O-N 3.37Å; L38-K42 HydrophobicContact CD1-CD 3.96Å; L38-K42 HydrophobicContact CD1-CG 4.34Å; L38-K42 HydrophobicContact CG-CD 4.46Å; L38-K42 WeakPolarHBondContact O-CG 3.37Å; L38-K42 PolarHBondContact O-N 2.84Å; L38-K42 VanDerWaalsContact O-N 3.09Å; L38-E63 HydrophobicContact CB-CB 3.97Å; L38-E63 HydrophobicContact CB-CG 4.47Å; L38-E63 PolarHBondContact N-OE2 2.74Å; L38-E63 VanDerWaalsContact N-OE2 3.11Å; L38-Q66 HydrophobicContact CD1-CB 4.01Å; L38-Q66 HydrophobicContact CD1-CG 3.76Å; L38-Q66 HydrophobicContact CD2-CG 4.38Å; L38-A67 HydrophobicContact CD1-CB 3.69Å; L38-A67 WeakPolarHBondContact O-CB 3.32Å
39N98.8Very high97.5Very high105 Ų10555.8 Ų55.856%0.56129%0.287SS*.Hα-helixtrans-65.1-38.8-177.6-70.6-35.1000112.2G35 A37 H43G35-N39 PolarHBondContact O-N 3.27Å; G35-N39 PolarHBondContact O-ND2 2.91Å; G35-N39 VanDerWaalsContact O-ND2 3.13Å; A37-N39 PolarHBondContact O-N 3.42Å; N39-H43 WeakPolarHBondContact O-CB 3.46Å; N39-H43 PolarHBondContact O-N 3.46Å
40S98.8Very high97.9Very high7 Ų755.5 Ų55.55%0.04928%0.277CS..Hα-helixtrans-68.6-41.5-179.3-59.40000112.2T36 A37 L38 H43 A44 F275T36-S40 VanDerWaalsContact O-CB 3.27Å; T36-S40 WeakPolarHBondContact O-CB 3.14Å; T36-S40 PolarHBondContact O-N 3.01Å; T36-S40 PolarHBondContact O-OG 2.7Å; A37-S40 PolarHBondContact O-N 3.27Å; L38-S40 VanDerWaalsContact C-N 3.34Å; L38-S40 PolarHBondContact O-N 3.45Å; S40-H43 PolarHBondContact O-N 3.38Å; S40-A44 VanDerWaalsContact O-CB 3.3Å; S40-A44 WeakPolarHBondContact O-CB 3.32Å; S40-A44 PolarHBondContact O-N 2.88Å; S40-F275 VanDerWaalsContact CB-CD1 3.49Å; S40-F275 WeakPolarHBondContact OG-CA 3.42Å; S40-F275 WeakPolarHBondContact OG-CD1 3.38Å
41V98.9Very high98.2Very high0 Ų046.9 Ų46.90%024%0.244CC..Hα-helixtrans-66.3-44.5177.4171.40000110.6L23 T25 A37 L38 H43 A44 I45 F52 V64 A67 I68L23-V41 HydrophobicContact CD2-CG2 4.04Å; T25-V41 HydrophobicContact CG2-CG2 4.11Å; A37-V41 WeakPolarHBondContact O-CB 3.2Å; A37-V41 VanDerWaalsContact O-CG2 3.25Å; A37-V41 WeakPolarHBondContact O-CG2 3.36Å; A37-V41 PolarHBondContact O-N 3.07Å; L38-V41 PolarHBondContact O-N 3.37Å; V41-H43 VanDerWaalsContact C-N 3.35Å; V41-H43 PolarHBondContact O-N 3.31Å; V41-A44 PolarHBondContact O-N 3.21Å; V41-I45 HydrophobicContact CG1-CD1 4.13Å; V41-I45 WeakPolarHBondContact O-CG1 3.34Å; V41-I45 PolarHBondContact O-N 3.36Å; V41-F52 HydrophobicContact CB-CD1 4.37Å; V41-F52 HydrophobicContact CB-CE1 4.27Å; V41-F52 HydrophobicContact CG1-CD1 3.77Å; V41-F52 HydrophobicContact CG1-CE1 3.67Å; V41-F52 HydrophobicContact CG1-CG 4.34Å; V41-F52 HydrophobicContact CG1-CZ 4.17Å; V41-F52 HydrophobicContact CG2-CD1 4.03Å; V41-F52 HydrophobicContact CG2-CE1 4.36Å; V41-V64 HydrophobicContact CG1-CG1 4.43Å; V41-V64 HydrophobicContact CG2-CB 4.49Å; V41-V64 HydrophobicContact CG2-CG1 4.19Å; V41-V64 HydrophobicContact CG2-CG2 4.17Å; V41-A67 HydrophobicContact CB-CB 3.53Å; V41-A67 HydrophobicContact CG1-CB 3.37Å; V41-I68 HydrophobicContact CG1-CG1 4.3Å
42K98.9Very high98.5Very high62 Ų6241.9 Ų41.927%0.2721%0.213SC..Hα-helixtrans-56.1-50.6174.7-71.817967.8168.30111.3L38 A44 I45 D46 A67 E70 K71L38-K42 HydrophobicContact CD1-CD 3.96Å; L38-K42 HydrophobicContact CD1-CG 4.34Å; L38-K42 HydrophobicContact CG-CD 4.46Å; L38-K42 WeakPolarHBondContact O-CG 3.37Å; L38-K42 PolarHBondContact O-N 2.84Å; L38-K42 VanDerWaalsContact O-N 3.09Å; K42-A44 VanDerWaalsContact C-N 3.32Å; K42-A44 PolarHBondContact O-N 3.4Å; K42-I45 WeakPolarHBondContact O-CB 3.4Å; K42-I45 PolarHBondContact O-N 3.2Å; K42-I45 VanDerWaalsContact O-N 3.16Å; K42-D46 PolarHBondContact O-N 3.29Å; K42-A67 HydrophobicContact CG-CB 3.75Å; K42-E70 WeakPolarHBondContact CD-OE2 3.38Å; K42-E70 WeakPolarHBondContact CE-OE2 3.38Å; K42-E70 IonicContact NZ-OE2 2.99Å; K42-E70 PolarHBondContact NZ-OE2 2.87Å; K42-K71 HydrophobicContact CB-CD 4.39Å; K42-K71 HydrophobicContact CG-CD 4.37Å; K42-K71 HydrophobicContact CG-CG 4.28Å
43H98.9Very high98.6Very high53 Ų5340.2 Ų40.225%0.24520%0.203CC..Hα-helixtrans-62.8-38.9179.5-172.558.8000112.5N39 S40 V41 I45 D46 V47 T277N39-H43 WeakPolarHBondContact O-CB 3.46Å; N39-H43 PolarHBondContact O-N 3.46Å; S40-H43 PolarHBondContact O-N 3.38Å; V41-H43 VanDerWaalsContact C-N 3.35Å; V41-H43 PolarHBondContact O-N 3.31Å; H43-I45 VanDerWaalsContact C-N 3.35Å; H43-I45 PolarHBondContact O-N 3.11Å; H43-D46 WeakPolarHBondContact O-CB 3.22Å; H43-D46 PolarHBondContact O-N 3.4Å; H43-V47 VanDerWaalsContact O-CG2 3.32Å; H43-V47 WeakPolarHBondContact O-CG2 3.34Å; H43-V47 PolarHBondContact O-N 3.39Å; H43-T277 PolarHBondContact NE2-O 3.27Å
44A98.9Very high98.6Very high0 Ų036 Ų360%018%0.175CC..Hα-helixtrans-63-40.6175.100000111.9L23 S40 V41 K42 D46 V47 G48 Y49 F52 I280L23-A44 HydrophobicContact CD2-CB 3.8Å; S40-A44 VanDerWaalsContact O-CB 3.3Å; S40-A44 WeakPolarHBondContact O-CB 3.32Å; S40-A44 PolarHBondContact O-N 2.88Å; V41-A44 PolarHBondContact O-N 3.21Å; K42-A44 VanDerWaalsContact C-N 3.32Å; K42-A44 PolarHBondContact O-N 3.4Å; A44-D46 VanDerWaalsContact C-N 3.33Å; A44-D46 PolarHBondContact O-N 3.16Å; A44-V47 PolarHBondContact O-N 3.35Å; A44-G48 PolarHBondContact O-N 2.9Å; A44-G48 VanDerWaalsContact O-N 3.09Å; A44-Y49 HydrophobicContact CB-CD1 4.33Å; A44-Y49 HydrophobicContact CB-CD2 3.8Å; A44-Y49 HydrophobicContact CB-CE2 4.31Å; A44-Y49 HydrophobicContact CB-CG 3.8Å; A44-Y49 WeakPolarHBondContact O-CB 3.36Å; A44-Y49 VanDerWaalsContact O-CD2 3.24Å; A44-Y49 WeakPolarHBondContact O-CD2 3.4Å; A44-Y49 PolarHBondContact O-N 3.46Å; A44-F52 HydrophobicContact CB-CE1 3.91Å; A44-F52 HydrophobicContact CB-CZ 4.37Å; A44-I280 HydrophobicContact CB-CG2 3.81Å
45I98.9Very high98.7Very high1 Ų124.5 Ų24.51%0.00513%0.132CC..Hα-helixtrans-59.9-44.9173.7-66.3170.6000110.6V41 K42 H43 V47 G48 R50 F52 I68 K71 T76 V77 I82V41-I45 HydrophobicContact CG1-CD1 4.13Å; V41-I45 WeakPolarHBondContact O-CG1 3.34Å; V41-I45 PolarHBondContact O-N 3.36Å; K42-I45 WeakPolarHBondContact O-CB 3.4Å; K42-I45 PolarHBondContact O-N 3.2Å; K42-I45 VanDerWaalsContact O-N 3.16Å; H43-I45 VanDerWaalsContact C-N 3.35Å; H43-I45 PolarHBondContact O-N 3.11Å; I45-V47 VanDerWaalsContact C-N 3.29Å; I45-V47 PolarHBondContact O-N 3.24Å; I45-G48 PolarHBondContact O-N 3.43Å; I45-G48 VanDerWaalsContact O-N 3.15Å; I45-R50 PolarHBondContact O-NH1 3.31Å; I45-F52 HydrophobicContact CD1-CE2 4.17Å; I45-F52 HydrophobicContact CD1-CZ 4.07Å; I45-F52 HydrophobicContact CG1-CE1 4.31Å; I45-F52 HydrophobicContact CG1-CE2 3.73Å; I45-F52 HydrophobicContact CG1-CZ 3.33Å; I45-I68 HydrophobicContact CD1-CG1 4.41Å; I45-K71 HydrophobicContact CB-CG 4.05Å; I45-K71 HydrophobicContact CD1-CB 3.78Å; I45-K71 HydrophobicContact CD1-CG 3.63Å; I45-K71 HydrophobicContact CG1-CG 4.4Å; I45-K71 HydrophobicContact CG2-CB 3.98Å; I45-K71 HydrophobicContact CG2-CD 4.49Å; I45-K71 HydrophobicContact CG2-CG 3.95Å; I45-T76 HydrophobicContact CG2-CG2 4.09Å; I45-V77 HydrophobicContact CG2-CG1 3.75Å; I45-V77 HydrophobicContact CG2-CG2 4.11Å; I45-I82 HydrophobicContact CD1-CD1 4.18Å; I45-I82 HydrophobicContact CG1-CD1 4.23Å
46D98.7Very high98.6Very high92 Ų9224.2 Ų24.249%0.49213%0.126SC..Hα-helixtrans-61.5-36.2177.1-62.2-30.5000112.4K42 H43 A44 G48 K71K42-D46 PolarHBondContact O-N 3.29Å; H43-D46 WeakPolarHBondContact O-CB 3.22Å; H43-D46 PolarHBondContact O-N 3.4Å; A44-D46 VanDerWaalsContact C-N 3.33Å; A44-D46 PolarHBondContact O-N 3.16Å; D46-G48 VanDerWaalsContact C-N 3.33Å; D46-K71 WeakPolarHBondContact OD1-CE 3.48Å; D46-K71 IonicContact OD1-NZ 2.72Å; D46-K71 PolarHBondContact OD1-NZ 3.12Å
47V98.6Very high98.6Very high33 Ų3323.2 Ų23.220%0.212%0.12CC..Hα-helixtrans-70.4-28.6176.9166.20000112.4H43 A44 I45 Y49 I280 K281 F284H43-V47 VanDerWaalsContact O-CG2 3.32Å; H43-V47 WeakPolarHBondContact O-CG2 3.34Å; H43-V47 PolarHBondContact O-N 3.39Å; A44-V47 PolarHBondContact O-N 3.35Å; I45-V47 VanDerWaalsContact C-N 3.29Å; I45-V47 PolarHBondContact O-N 3.24Å; V47-Y49 HydrophobicContact CB-CD2 4.24Å; V47-Y49 HydrophobicContact CB-CE2 4.37Å; V47-Y49 HydrophobicContact CG1-CD2 4.03Å; V47-Y49 HydrophobicContact CG1-CE2 3.84Å; V47-I280 HydrophobicContact CG2-CG2 4.48Å; V47-K281 HydrophobicContact CG2-CB 4.23Å; V47-K281 HydrophobicContact CG2-CG 4.48Å; V47-F284 HydrophobicContact CG1-CB 3.8Å; V47-F284 HydrophobicContact CG1-CD1 3.79Å; V47-F284 HydrophobicContact CG1-CG 3.95Å
48G98.5Very high98.5Very high17 Ų1724.8 Ų24.818%0.17513%0.126CC..THydrogen-bonded Turntrans127.22-179.800000115.2A44 I45 D46 F284A44-G48 PolarHBondContact O-N 2.9Å; A44-G48 VanDerWaalsContact O-N 3.09Å; I45-G48 PolarHBondContact O-N 3.43Å; I45-G48 VanDerWaalsContact O-N 3.15Å; D46-G48 VanDerWaalsContact C-N 3.33Å; G48-F284 WeakPolarHBondContact O-CZ 3.26Å
49Y98.8Very high98.5Very high0 Ų028.8 Ų28.80%014%0.143CC..  trans-64.8139.2176.1-71.5-118.6000110.4F21 L23 A44 V47 I280 F284F21-Y49 AromaticContact CD1-CD1 3.99Å; F21-Y49 HydrophobicContact CD1-CD1 3.99Å; F21-Y49 AromaticContact CD1-CE1 3.53Å; F21-Y49 HydrophobicContact CD1-CE1 3.53Å; F21-Y49 HydrophobicContact CE1-CD1 4.19Å; F21-Y49 AromaticContact CE1-CE1 3.28Å; F21-Y49 HydrophobicContact CE1-CE1 3.28Å; F21-Y49 AromaticContact CE1-CZ 3.5Å; F21-Y49 VanDerWaalsContact CE1-CZ 3.5Å; F21-Y49 WeakPolarHBondContact CE1-OH 3.35Å; L23-Y49 HydrophobicContact CB-CD1 3.85Å; L23-Y49 HydrophobicContact CB-CE1 4Å; L23-Y49 HydrophobicContact CD1-CE1 4.47Å; A44-Y49 HydrophobicContact CB-CD1 4.33Å; A44-Y49 HydrophobicContact CB-CD2 3.8Å; A44-Y49 HydrophobicContact CB-CE2 4.31Å; A44-Y49 HydrophobicContact CB-CG 3.8Å; A44-Y49 WeakPolarHBondContact O-CB 3.36Å; A44-Y49 VanDerWaalsContact O-CD2 3.24Å; A44-Y49 WeakPolarHBondContact O-CD2 3.4Å; A44-Y49 PolarHBondContact O-N 3.46Å; V47-Y49 HydrophobicContact CB-CD2 4.24Å; V47-Y49 HydrophobicContact CB-CE2 4.37Å; V47-Y49 HydrophobicContact CG1-CD2 4.03Å; V47-Y49 HydrophobicContact CG1-CE2 3.84Å; Y49-I280 HydrophobicContact CD2-CG2 4.49Å; Y49-I280 HydrophobicContact CE2-CG2 3.8Å; Y49-I280 WeakPolarHBondContact CE2-O 3.19Å; Y49-I280 PolarHBondContact OH-O 3.46Å; Y49-F284 HydrophobicContact CD2-CB 4.36Å; Y49-F284 AromaticContact CD2-CD2 3.78Å; Y49-F284 HydrophobicContact CD2-CD2 3.78Å; Y49-F284 HydrophobicContact CD2-CE2 4.28Å; Y49-F284 HydrophobicContact CD2-CG 4.11Å; Y49-F284 HydrophobicContact CE2-CB 3.58Å; Y49-F284 AromaticContact CE2-CD2 3.7Å; Y49-F284 HydrophobicContact CE2-CD2 3.7Å; Y49-F284 AromaticContact CE2-CG 3.81Å; Y49-F284 HydrophobicContact CE2-CG 3.81Å; Y49-F284 HydrophobicContact CG-CD2 4.23Å; Y49-F284 HydrophobicContact CG-CE2 4.47Å
50R98.8Very high98.5Very high66 Ų6624.4 Ų24.425%0.24912%0.119CC..  trans-126.93176.3-65.3-59.3177.3-95.13.7113.1P19 I45 V77 D81 F83P19-R50 HydrophobicContact CG-CB 4.24Å; I45-R50 PolarHBondContact O-NH1 3.31Å; R50-V77 VanDerWaalsContact CZ-CG1 3.49Å; R50-D81 WeakPolarHBondContact CB-O 3.37Å; R50-D81 VanDerWaalsContact CD-O 3.32Å; R50-D81 WeakPolarHBondContact CD-O 3.39Å; R50-F83 WeakPolarHBondContact O-CB 3.28Å; R50-F83 PolarHBondContact O-N 3.48Å
51H98.9Very high98.5Very high1 Ų124.4 Ų24.41%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-127.9129.7178.1172.4-168.1000110.2P19 G22 L23 F83P19-H51 HydrophobicContact CB-CB 3.76Å; P19-H51 HydrophobicContact CG-CB 3.84Å; P19-H51 PolarHBondContact O-ND1 3.49Å; P19-H51 VanDerWaalsContact O-ND1 3.12Å; G22-H51 CarbonylContact C-O 3.44Å; G22-H51 WeakPolarHBondContact CA-O 3.33Å; L23-H51 PolarHBondContact N-O 2.86Å; H51-F83 CarbonylContact C-O 3.53Å; H51-F83 VanDerWaalsContact CA-O 3.23Å; H51-F83 WeakPolarHBondContact CA-O 3.47Å; H51-F83 HydrophobicContact CB-CB 4.23Å; H51-F83 AromaticContact CD2-CD1 3.49Å; H51-F83 VanDerWaalsContact CD2-CD1 3.49Å; H51-F83 WeakPolarHBondContact CD2-CD1 3.38Å; H51-F83 AromaticContact NE2-CD1 3.84Å; H51-F83 AromaticContact NE2-CE1 3.99Å
52F98.9Very high98.4Very high0 Ų029 Ų290%014%0.14CC..EExtended strand (participates in β ladder)trans-126.5127.4177.9-60.3-80.8000110L23 V41 A44 I45 V64 I68 I82 F83 Y84 C85L23-F52 HydrophobicContact CB-CD1 3.89Å; L23-F52 HydrophobicContact CB-CE1 4.03Å; L23-F52 HydrophobicContact CD2-CD1 4.14Å; L23-F52 HydrophobicContact CD2-CE1 4.07Å; V41-F52 HydrophobicContact CB-CD1 4.37Å; V41-F52 HydrophobicContact CB-CE1 4.27Å; V41-F52 HydrophobicContact CG1-CD1 3.77Å; V41-F52 HydrophobicContact CG1-CE1 3.67Å; V41-F52 HydrophobicContact CG1-CG 4.34Å; V41-F52 HydrophobicContact CG1-CZ 4.17Å; V41-F52 HydrophobicContact CG2-CD1 4.03Å; V41-F52 HydrophobicContact CG2-CE1 4.36Å; A44-F52 HydrophobicContact CB-CE1 3.91Å; A44-F52 HydrophobicContact CB-CZ 4.37Å; I45-F52 HydrophobicContact CD1-CE2 4.17Å; I45-F52 HydrophobicContact CD1-CZ 4.07Å; I45-F52 HydrophobicContact CG1-CE1 4.31Å; I45-F52 HydrophobicContact CG1-CE2 3.73Å; I45-F52 HydrophobicContact CG1-CZ 3.33Å; F52-V64 HydrophobicContact CB-CG1 4.44Å; F52-I68 HydrophobicContact CD2-CD1 4.5Å; F52-I82 HydrophobicContact CD2-CD1 4.48Å; F52-I82 HydrophobicContact CD2-CG2 4.03Å; F52-I82 HydrophobicContact CE2-CD1 3.81Å; F52-I82 HydrophobicContact CE2-CG2 4.38Å; F52-F83 PolarHBondContact N-O 3.38Å; F52-Y84 HydrophobicContact CB-CD2 4.13Å; F52-Y84 WeakPolarHBondContact O-CA 3.46Å; F52-C85 PolarHBondContact O-N 3Å
53D98.9Very high98.4Very high5 Ų527 Ų273%0.02713%0.131CC..EExtended strand (participates in β ladder)trans-108.1120.9177.1174.8-89.6000109.5L23 T25 K87 Q193 I271L23-D53 PolarHBondContact O-N 3.42Å; T25-D53 WeakPolarHBondContact CB-O 3.18Å; T25-D53 WeakPolarHBondContact CG2-O 3.44Å; T25-D53 PolarHBondContact N-O 2.94Å; T25-D53 PolarHBondContact OG1-O 3.09Å; D53-K87 IonicContact OD1-NZ 3.29Å; D53-K87 PolarHBondContact OD1-NZ 2.9Å; D53-K87 WeakPolarHBondContact OD2-CE 3.44Å; D53-K87 IonicContact OD2-NZ 3.65Å; D53-K87 PolarHBondContact OD2-NZ 3.01Å; D53-Q193 PolarHBondContact OD2-NE2 2.96Å; D53-I271 HydrophobicContact CB-CB 4.17Å; D53-I271 HydrophobicContact CB-CD1 3.84Å; D53-I271 HydrophobicContact CB-CG2 3.95Å; D53-I271 VanDerWaalsContact CG-CD1 3.46Å
54G98.6Very high98.4Very high0 Ų024.5 Ų24.50%012%0.12CC..  trans-137.6179.9178.100000111.8T25 C85 K87T25-G54 VanDerWaalsContact OG1-CA 3.22Å; T25-G54 WeakPolarHBondContact OG1-CA 3.1Å; G54-C85 PolarHBondContact N-O 2.84Å; G54-C85 VanDerWaalsContact O-O 3.14Å; G54-K87 WeakPolarHBondContact O-CG 3.5Å; G54-K87 PolarHBondContact O-NZ 3.4Å
55A98.4Very high98.4Very high0 Ų024.5 Ų24.50%012%0.12CC..  trans-159.8155.5175.900000110.1V57 Y58 E61 K87A55-V57 VanDerWaalsContact C-N 3.25Å; A55-V57 HydrophobicContact CB-CG2 4.3Å; A55-V57 PolarHBondContact O-N 2.97Å; A55-Y58 HydrophobicContact CB-CD1 3.87Å; A55-Y58 HydrophobicContact CB-CD2 3.91Å; A55-Y58 HydrophobicContact CB-CE1 3.63Å; A55-Y58 HydrophobicContact CB-CE2 3.71Å; A55-Y58 HydrophobicContact CB-CG 3.96Å; A55-Y58 WeakPolarHBondContact O-CB 3.45Å; A55-Y58 PolarHBondContact O-N 2.58Å; A55-Y58 VanDerWaalsContact O-N 3.08Å; A55-E61 WeakPolarHBondContact O-CG 3.46Å; A55-K87 HydrophobicContact CB-CB 4Å; A55-K87 HydrophobicContact CB-CD 3.98Å; A55-K87 HydrophobicContact CB-CG 3.95Å
56L96.6Very high98.4Very high12 Ų1227.8 Ų27.86%0.06314%0.135CC..G310 helixtrans-53.9-43.7176.4-179.166.2000112.1Y58 F59 E61 F92 R104 F131L56-Y58 PolarHBondContact O-N 2.95Å; L56-F59 PolarHBondContact O-N 3.49Å; L56-E61 WeakPolarHBondContact CA-OE2 3.11Å; L56-E61 WeakPolarHBondContact CD1-OE2 3.29Å; L56-E61 PolarHBondContact N-OE1 3.17Å; L56-F92 HydrophobicContact CD2-CE2 3.88Å; L56-F92 HydrophobicContact CD2-CZ 4.19Å; L56-R104 HydrophobicContact CD1-CG 4.35Å; L56-F131 HydrophobicContact CD2-CE1 3.72Å; L56-F131 HydrophobicContact CD2-CZ 3.97Å; L56-F131 HydrophobicContact CG-CE1 4.13Å; L56-F131 HydrophobicContact CG-CZ 3.94Å
57V96.8Very high98.5Very high8 Ų823.4 Ų23.45%0.04811%0.112CC..G310 helixtrans-771.1-176.9-63.20000114.2A55 F59 W89 F131A55-V57 VanDerWaalsContact C-N 3.25Å; A55-V57 HydrophobicContact CB-CG2 4.3Å; A55-V57 PolarHBondContact O-N 2.97Å; V57-F59 VanDerWaalsContact C-N 3.3Å; V57-F59 WeakPolarHBondContact O-CD2 3.32Å; V57-F59 WeakPolarHBondContact O-CE2 3.35Å; V57-W89 HydrophobicContact CB-CD2 4.35Å; V57-W89 HydrophobicContact CB-CE3 4.41Å; V57-W89 HydrophobicContact CG1-CB 3.9Å; V57-W89 HydrophobicContact CG1-CD2 3.47Å; V57-W89 VanDerWaalsContact CG1-CD2 3.47Å; V57-W89 HydrophobicContact CG1-CE3 3.96Å; V57-W89 HydrophobicContact CG1-CG 3.42Å; V57-W89 VanDerWaalsContact CG1-CG 3.42Å; V57-W89 HydrophobicContact CG2-CD2 4.08Å; V57-W89 HydrophobicContact CG2-CE3 3.66Å; V57-W89 HydrophobicContact CG2-CZ3 3.88Å; V57-F131 HydrophobicContact CG1-CB 4.07Å; V57-F131 HydrophobicContact CG1-CD1 3.73Å; V57-F131 HydrophobicContact CG1-CD2 4.04Å; V57-F131 HydrophobicContact CG1-CE1 4.1Å; V57-F131 HydrophobicContact CG1-CE2 4.37Å; V57-F131 HydrophobicContact CG1-CG 3.69Å; V57-F131 HydrophobicContact CG1-CZ 4.4Å
58Y97.8Very high98.5Very high34 Ų3421.9 Ų21.913%0.13310%0.102CC..G310 helixtrans-86.8-7.4170.9-56.9-7.4000111.8Y26 A55 L56 N60 K87Y26-Y58 AromaticContact CD2-CD1 3.69Å; Y26-Y58 HydrophobicContact CD2-CD1 3.69Å; Y26-Y58 AromaticContact CD2-CE1 3.98Å; Y26-Y58 HydrophobicContact CD2-CE1 3.98Å; Y26-Y58 HydrophobicContact CD2-CG 4.15Å; Y26-Y58 HydrophobicContact CG-CD1 4.5Å; A55-Y58 HydrophobicContact CB-CD1 3.87Å; A55-Y58 HydrophobicContact CB-CD2 3.91Å; A55-Y58 HydrophobicContact CB-CE1 3.63Å; A55-Y58 HydrophobicContact CB-CE2 3.71Å; A55-Y58 HydrophobicContact CB-CG 3.96Å; A55-Y58 WeakPolarHBondContact O-CB 3.45Å; A55-Y58 PolarHBondContact O-N 2.58Å; A55-Y58 VanDerWaalsContact O-N 3.08Å; L56-Y58 PolarHBondContact O-N 2.95Å; Y58-N60 WeakPolarHBondContact CB-OD1 3.47Å; Y58-N60 PolarHBondContact O-N 3.37Å; Y58-K87 PolarHBondContact OH-NZ 2.91Å
59F97.5Very high98.5Very high109 Ų10924.8 Ų24.848%0.47811%0.108SC..SBendtrans58.816.3176.6-59.5-89.1000115.1P29 L56 V57 H62 F131P29-F59 HydrophobicContact CB-CB 4.44Å; P29-F59 HydrophobicContact CB-CD2 4.2Å; P29-F59 HydrophobicContact CG-CD2 4.03Å; P29-F59 HydrophobicContact CG-CE2 4.46Å; L56-F59 PolarHBondContact O-N 3.49Å; V57-F59 VanDerWaalsContact C-N 3.3Å; V57-F59 WeakPolarHBondContact O-CD2 3.32Å; V57-F59 WeakPolarHBondContact O-CE2 3.35Å; F59-H62 PolarHBondContact O-CE1 3.14Å; F59-H62 VanDerWaalsContact O-CE1 3.27Å; F59-F131 HydrophobicContact CE1-CD2 4.09Å; F59-F131 AromaticContact CE1-CE2 3.61Å; F59-F131 HydrophobicContact CE1-CE2 3.61Å; F59-F131 HydrophobicContact CE2-CD2 4.46Å; F59-F131 AromaticContact CZ-CD2 3.59Å; F59-F131 HydrophobicContact CZ-CD2 3.59Å; F59-F131 AromaticContact CZ-CE2 3.58Å; F59-F131 HydrophobicContact CZ-CE2 3.58Å
60N98.5Very high98.5Very high12 Ų1227.8 Ų27.86%0.06412%0.122CC..  trans-130.69.5-17566.411.8000114.1T25 A37 Y58 H62 E63 V64T25-N60 PolarHBondContact O-ND2 3.36Å; A37-N60 HydrophobicContact CB-CB 4.08Å; Y58-N60 WeakPolarHBondContact CB-OD1 3.47Å; Y58-N60 PolarHBondContact O-N 3.37Å; N60-H62 PolarHBondContact O-N 3.19Å; N60-H62 VanDerWaalsContact O-N 3.14Å; N60-E63 WeakPolarHBondContact O-CB 3.48Å; N60-E63 PolarHBondContact O-N 2.94Å; N60-V64 PolarHBondContact O-N 2.77Å; N60-V64 VanDerWaalsContact O-N 3.15Å
61E98.7Very high98.5Very high7 Ų725.1 Ų25.13%0.03311%0.112CC..Hα-helixtrans-53.3-37.7177-66.5-175120.700112.1A55 L56 E63 V64 G65 Y84 T105 A108 L109A55-E61 WeakPolarHBondContact O-CG 3.46Å; L56-E61 WeakPolarHBondContact CA-OE2 3.11Å; L56-E61 WeakPolarHBondContact CD1-OE2 3.29Å; L56-E61 PolarHBondContact N-OE1 3.17Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 PolarHBondContact O-N 3.4Å; E61-V64 PolarHBondContact O-N 2.91Å; E61-G65 PolarHBondContact O-N 2.96Å; E61-Y84 PolarHBondContact OE1-OH 3.14Å; E61-T105 WeakPolarHBondContact OE1-CG2 3.38Å; E61-T105 PolarHBondContact OE1-OG1 3.12Å; E61-T105 PolarHBondContact OE2-OG1 3.32Å; E61-A108 HydrophobicContact CB-CB 4.26Å; E61-L109 HydrophobicContact CB-CD2 4.38Å; E61-L109 WeakPolarHBondContact O-CD2 3.37Å
62H98.8Very high98.5Very high98 Ų9827.6 Ų27.645%0.45413%0.125SC..Hα-helixtrans-61.4-36176.767.7-80.7000113.3F59 N60 Q66 A108F59-H62 PolarHBondContact O-CE1 3.14Å; F59-H62 VanDerWaalsContact O-CE1 3.27Å; N60-H62 PolarHBondContact O-N 3.19Å; N60-H62 VanDerWaalsContact O-N 3.14Å; H62-Q66 WeakPolarHBondContact O-CB 3.24Å; H62-Q66 PolarHBondContact O-N 3.04Å; H62-A108 WeakPolarHBondContact CA-O 3.42Å
63E98.9Very high98.5Very high19 Ų1931.9 Ų31.99%0.08916%0.16CC..Hα-helixtrans-70.2-41.1175-64.6-166.3-168.600111.2G35 T36 A37 L38 N60 E61 Q66 A67G35-E63 VanDerWaalsContact C-OE2 3.24Å; G35-E63 VanDerWaalsContact CA-OE2 3.23Å; G35-E63 WeakPolarHBondContact CA-OE2 3.43Å; G35-E63 PolarHBondContact N-OE1 2.76Å; G35-E63 PolarHBondContact N-OE2 2.85Å; T36-E63 PolarHBondContact N-OE2 2.68Å; A37-E63 WeakPolarHBondContact CA-OE2 3.49Å; A37-E63 HydrophobicContact CB-CB 4Å; A37-E63 WeakPolarHBondContact CB-OE2 3.48Å; A37-E63 PolarHBondContact N-OE2 3.37Å; L38-E63 HydrophobicContact CB-CB 3.97Å; L38-E63 HydrophobicContact CB-CG 4.47Å; L38-E63 PolarHBondContact N-OE2 2.74Å; L38-E63 VanDerWaalsContact N-OE2 3.11Å; N60-E63 WeakPolarHBondContact O-CB 3.48Å; N60-E63 PolarHBondContact O-N 2.94Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 PolarHBondContact O-N 3.4Å; E63-Q66 PolarHBondContact O-N 3.26Å; E63-A67 PolarHBondContact O-N 3.15Å
64V98.9Very high98.5Very high0 Ų035.9 Ų35.90%018%0.182CC..Hα-helixtrans-63.2-47.2176.7-178.30000110.7T25 V41 F52 N60 E61 Q66 A67 I68 Y84T25-V64 HydrophobicContact CG2-CG2 3.93Å; V41-V64 HydrophobicContact CG1-CG1 4.43Å; V41-V64 HydrophobicContact CG2-CB 4.49Å; V41-V64 HydrophobicContact CG2-CG1 4.19Å; V41-V64 HydrophobicContact CG2-CG2 4.17Å; F52-V64 HydrophobicContact CB-CG1 4.44Å; N60-V64 PolarHBondContact O-N 2.77Å; N60-V64 VanDerWaalsContact O-N 3.15Å; E61-V64 PolarHBondContact O-N 2.91Å; V64-Q66 VanDerWaalsContact C-N 3.33Å; V64-Q66 PolarHBondContact O-N 3.47Å; V64-A67 WeakPolarHBondContact O-CB 3.23Å; V64-A67 PolarHBondContact O-N 3.41Å; V64-I68 HydrophobicContact CG1-CD1 3.9Å; V64-I68 WeakPolarHBondContact O-CG1 3.32Å; V64-I68 PolarHBondContact O-N 3.27Å; V64-Y84 HydrophobicContact CB-CE2 4.47Å; V64-Y84 HydrophobicContact CG1-CD2 4.01Å; V64-Y84 HydrophobicContact CG1-CE2 3.74Å
65G98.9Very high98.5Very high0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-64-37.7177.400000112.9E61 R69 L109E61-G65 PolarHBondContact O-N 2.96Å; G65-R69 WeakPolarHBondContact O-CB 3.4Å; G65-R69 VanDerWaalsContact O-CG 3.3Å; G65-R69 WeakPolarHBondContact O-CG 3.41Å; G65-R69 PolarHBondContact O-N 3.18Å; G65-R69 PolarHBondContact O-NE 3.22Å; G65-L109 WeakPolarHBondContact CA-O 3.39Å
66Q98.9Very high98.5Very high71 Ų7141.6 Ų41.633%0.33223%0.229SC..Hα-helixtrans-61.3-47.7172-179.3177.8-14.900111.8L38 H62 E63 V64 I68 R69 E70L38-Q66 HydrophobicContact CD1-CB 4.01Å; L38-Q66 HydrophobicContact CD1-CG 3.76Å; L38-Q66 HydrophobicContact CD2-CG 4.38Å; H62-Q66 WeakPolarHBondContact O-CB 3.24Å; H62-Q66 PolarHBondContact O-N 3.04Å; E63-Q66 PolarHBondContact O-N 3.26Å; V64-Q66 VanDerWaalsContact C-N 3.33Å; V64-Q66 PolarHBondContact O-N 3.47Å; Q66-I68 PolarHBondContact O-N 2.74Å; Q66-R69 PolarHBondContact O-N 3.07Å; Q66-E70 HydrophobicContact CG-CG 4.39Å; Q66-E70 VanDerWaalsContact CG-OE1 3.25Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.47Å; Q66-E70 PolarHBondContact NE2-OE1 3.25Å; Q66-E70 WeakPolarHBondContact O-CG 3.45Å; Q66-E70 PolarHBondContact O-N 2.89Å
67A98.9Very high98.6Very high0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-57.6-49178.400000112.2L38 V41 K42 E63 V64 R69 E70 K71L38-A67 HydrophobicContact CD1-CB 3.69Å; L38-A67 WeakPolarHBondContact O-CB 3.32Å; V41-A67 HydrophobicContact CB-CB 3.53Å; V41-A67 HydrophobicContact CG1-CB 3.37Å; K42-A67 HydrophobicContact CG-CB 3.75Å; E63-A67 PolarHBondContact O-N 3.15Å; V64-A67 WeakPolarHBondContact O-CB 3.23Å; V64-A67 PolarHBondContact O-N 3.41Å; A67-R69 PolarHBondContact O-N 3.35Å; A67-E70 PolarHBondContact O-N 3.09Å; A67-K71 WeakPolarHBondContact O-CG 3.44Å; A67-K71 PolarHBondContact O-N 3.09Å
68I98.9Very high98.7Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-59.5-48.8179.2-68.9167.2000110.2V41 I45 F52 V64 Q66 E70 K71 I72 I82 Y84V41-I68 HydrophobicContact CG1-CG1 4.3Å; I45-I68 HydrophobicContact CD1-CG1 4.41Å; F52-I68 HydrophobicContact CD2-CD1 4.5Å; V64-I68 HydrophobicContact CG1-CD1 3.9Å; V64-I68 WeakPolarHBondContact O-CG1 3.32Å; V64-I68 PolarHBondContact O-N 3.27Å; Q66-I68 PolarHBondContact O-N 2.74Å; I68-E70 PolarHBondContact O-N 3.22Å; I68-K71 PolarHBondContact O-N 2.96Å; I68-I72 HydrophobicContact CG2-CD1 3.75Å; I68-I72 HydrophobicContact CG2-CG1 4.48Å; I68-I72 WeakPolarHBondContact O-CG1 3.11Å; I68-I72 PolarHBondContact O-N 2.85Å; I68-I82 HydrophobicContact CD1-CG2 4.02Å; I68-I82 HydrophobicContact CG1-CG2 4.25Å; I68-I82 HydrophobicContact CG2-CG1 4.49Å; I68-I82 HydrophobicContact CG2-CG2 4.21Å; I68-Y84 HydrophobicContact CD1-CD2 4.31Å
69R98.9Very high98.7Very high78 Ų7847 Ų4729%0.29425%0.252SS..Hα-helixtrans-64.2-38.3-179.5-72.8-177.2-64.5103.91.1112.9G65 Q66 A67 I72 A73 L109 K110 L111G65-R69 WeakPolarHBondContact O-CB 3.4Å; G65-R69 VanDerWaalsContact O-CG 3.3Å; G65-R69 WeakPolarHBondContact O-CG 3.41Å; G65-R69 PolarHBondContact O-N 3.18Å; G65-R69 PolarHBondContact O-NE 3.22Å; Q66-R69 PolarHBondContact O-N 3.07Å; A67-R69 PolarHBondContact O-N 3.35Å; R69-I72 PolarHBondContact O-N 3.01Å; R69-A73 WeakPolarHBondContact O-CB 3.33Å; R69-A73 PolarHBondContact O-N 3.05Å; R69-L109 PolarHBondContact NE-O 3.48Å; R69-L109 VanDerWaalsContact NE-O 3.12Å; R69-K110 WeakPolarHBondContact CD-O 3.48Å; R69-L111 HydrophobicContact CG-CD2 4.07Å
70E98.9Very high98.8Very high63 Ų6347.9 Ų47.929%0.29426%0.257SS..Hα-helixtrans-63.5-41.7175.5-75.2179.9-159.600111.6K42 Q66 A67 I68 I72 A73 D74K42-E70 WeakPolarHBondContact CD-OE2 3.38Å; K42-E70 WeakPolarHBondContact CE-OE2 3.38Å; K42-E70 IonicContact NZ-OE2 2.99Å; K42-E70 PolarHBondContact NZ-OE2 2.87Å; Q66-E70 HydrophobicContact CG-CG 4.39Å; Q66-E70 VanDerWaalsContact CG-OE1 3.25Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.47Å; Q66-E70 PolarHBondContact NE2-OE1 3.25Å; Q66-E70 WeakPolarHBondContact O-CG 3.45Å; Q66-E70 PolarHBondContact O-N 2.89Å; A67-E70 PolarHBondContact O-N 3.09Å; I68-E70 PolarHBondContact O-N 3.22Å; E70-I72 VanDerWaalsContact C-N 3.3Å; E70-I72 PolarHBondContact O-N 2.93Å; E70-A73 PolarHBondContact O-N 3.01Å; E70-D74 PolarHBondContact O-N 3.5Å
71K98.9Very high98.8Very high11 Ų1151 Ų515%0.04827%0.274CS..Hα-helixtrans-73.4-19.6176.9-64.6-54.6-55.2171.50114.1K42 I45 D46 A67 I68 D74 T76 V77K42-K71 HydrophobicContact CB-CD 4.39Å; K42-K71 HydrophobicContact CG-CD 4.37Å; K42-K71 HydrophobicContact CG-CG 4.28Å; I45-K71 HydrophobicContact CB-CG 4.05Å; I45-K71 HydrophobicContact CD1-CB 3.78Å; I45-K71 HydrophobicContact CD1-CG 3.63Å; I45-K71 HydrophobicContact CG1-CG 4.4Å; I45-K71 HydrophobicContact CG2-CB 3.98Å; I45-K71 HydrophobicContact CG2-CD 4.49Å; I45-K71 HydrophobicContact CG2-CG 3.95Å; D46-K71 WeakPolarHBondContact OD1-CE 3.48Å; D46-K71 IonicContact OD1-NZ 2.72Å; D46-K71 PolarHBondContact OD1-NZ 3.12Å; A67-K71 WeakPolarHBondContact O-CG 3.44Å; A67-K71 PolarHBondContact O-N 3.09Å; I68-K71 PolarHBondContact O-N 2.96Å; K71-D74 WeakPolarHBondContact CA-OD1 3.46Å; K71-D74 WeakPolarHBondContact CE-OD2 3.29Å; K71-D74 IonicContact NZ-OD1 2.75Å; K71-D74 IonicContact NZ-OD2 3.37Å; K71-D74 PolarHBondContact NZ-OD2 2.9Å; K71-T76 VanDerWaalsContact CE-CG2 3.5Å; K71-T76 WeakPolarHBondContact CE-OG1 3.38Å; K71-T76 PolarHBondContact NZ-OG1 3.43Å; K71-T76 PolarHBondContact O-N 3.41Å; K71-T76 VanDerWaalsContact O-N 3.14Å; K71-V77 HydrophobicContact CB-CG2 3.99Å; K71-V77 PolarHBondContact O-N 2.9Å
72I98.9Very high98.8Very high53 Ų5350.7 Ų50.727%0.27227%0.273SS..Hα-helixtrans-77.1-45.7167.2-68.1166.2000110.1I68 R69 E70 D74 G75 V77 R79I68-I72 HydrophobicContact CG2-CD1 3.75Å; I68-I72 HydrophobicContact CG2-CG1 4.48Å; I68-I72 WeakPolarHBondContact O-CG1 3.11Å; I68-I72 PolarHBondContact O-N 2.85Å; R69-I72 PolarHBondContact O-N 3.01Å; E70-I72 VanDerWaalsContact C-N 3.3Å; E70-I72 PolarHBondContact O-N 2.93Å; I72-D74 VanDerWaalsContact C-N 3.32Å; I72-D74 PolarHBondContact O-N 3.15Å; I72-G75 PolarHBondContact O-N 3.45Å; I72-G75 VanDerWaalsContact O-N 3.09Å; I72-V77 WeakPolarHBondContact CA-O 3.38Å; I72-V77 HydrophobicContact CG1-CG2 4.2Å; I72-R79 HydrophobicContact CD1-CB 4.03Å
73A98.8Very high98.8Very high89 Ų8946.6 Ų46.674%0.73625%0.253SS*.Hα-helixtrans-65.4-33.2-177.500000113R69 E70 G75R69-A73 WeakPolarHBondContact O-CB 3.33Å; R69-A73 PolarHBondContact O-N 3.05Å; E70-A73 PolarHBondContact O-N 3.01Å; A73-G75 VanDerWaalsContact C-N 3.27Å
74D98.4Very high98.8Very high89 Ų8945.7 Ų45.748%0.47625%0.249SC..THydrogen-bonded Turntrans-81.8-1.4175.576.910.2000113.9E70 K71 I72 T76E70-D74 PolarHBondContact O-N 3.5Å; K71-D74 WeakPolarHBondContact CA-OD1 3.46Å; K71-D74 WeakPolarHBondContact CE-OD2 3.29Å; K71-D74 IonicContact NZ-OD1 2.75Å; K71-D74 IonicContact NZ-OD2 3.37Å; K71-D74 PolarHBondContact NZ-OD2 2.9Å; I72-D74 VanDerWaalsContact C-N 3.32Å; I72-D74 PolarHBondContact O-N 3.15Å; D74-T76 VanDerWaalsContact C-N 3.34Å; D74-T76 VanDerWaalsContact CG-OG1 3.27Å; D74-T76 PolarHBondContact O-N 3.15Å; D74-T76 WeakPolarHBondContact OD1-CB 2.98Å; D74-T76 PolarHBondContact OD1-N 3.07Å; D74-T76 PolarHBondContact OD1-OG1 3.05Å; D74-T76 PolarHBondContact OD2-OG1 2.85Å
75G98.6Very high98.8Very high62 Ų6245.7 Ų45.764%0.63925%0.249SC*.THydrogen-bonded Turntrans78.88177.100000115.4I72 A73 V77I72-G75 PolarHBondContact O-N 3.45Å; I72-G75 VanDerWaalsContact O-N 3.09Å; A73-G75 VanDerWaalsContact C-N 3.27Å; G75-V77 VanDerWaalsContact C-N 3.35Å
76T98.6Very high98.8Very high58 Ų5845.7 Ų45.736%0.35625%0.249SC..SBendtrans-67.1-36179.6-56.90000112.6I45 K71 D74I45-T76 HydrophobicContact CG2-CG2 4.09Å; K71-T76 VanDerWaalsContact CE-CG2 3.5Å; K71-T76 WeakPolarHBondContact CE-OG1 3.38Å; K71-T76 PolarHBondContact NZ-OG1 3.43Å; K71-T76 PolarHBondContact O-N 3.41Å; K71-T76 VanDerWaalsContact O-N 3.14Å; D74-T76 VanDerWaalsContact C-N 3.34Å; D74-T76 VanDerWaalsContact CG-OG1 3.27Å; D74-T76 PolarHBondContact O-N 3.15Å; D74-T76 WeakPolarHBondContact OD1-CB 2.98Å; D74-T76 PolarHBondContact OD1-N 3.07Å; D74-T76 PolarHBondContact OD1-OG1 3.05Å; D74-T76 PolarHBondContact OD2-OG1 2.85Å
77V98.7Very high98.8Very high7 Ų742.3 Ų42.34%0.04223%0.234CC..  trans-143.7158.7179-69.10000110.3I45 R50 K71 I72 G75 D81 I82I45-V77 HydrophobicContact CG2-CG1 3.75Å; I45-V77 HydrophobicContact CG2-CG2 4.11Å; R50-V77 VanDerWaalsContact CZ-CG1 3.49Å; K71-V77 HydrophobicContact CB-CG2 3.99Å; K71-V77 PolarHBondContact O-N 2.9Å; I72-V77 WeakPolarHBondContact CA-O 3.38Å; I72-V77 HydrophobicContact CG1-CG2 4.2Å; G75-V77 VanDerWaalsContact C-N 3.35Å; V77-D81 HydrophobicContact CB-CB 4.24Å; V77-I82 HydrophobicContact CB-CD1 4.41Å; V77-I82 HydrophobicContact CB-CG1 4.35Å; V77-I82 HydrophobicContact CG1-CD1 4.41Å; V77-I82 HydrophobicContact CG2-CD1 4.03Å; V77-I82 HydrophobicContact CG2-CG1 3.95Å
78K98.8Very high98.8Very high128 Ų12842.3 Ų42.356%0.55723%0.234SC*.  trans-95.8167.4165.3-55.7-178.6-178.2177.40110.7E80 D81K78-E80 VanDerWaalsContact C-N 3.26Å; K78-E80 VanDerWaalsContact CB-CD 3.5Å; K78-E80 HydrophobicContact CB-CG 4.12Å; K78-E80 VanDerWaalsContact CB-OE2 3.31Å; K78-E80 WeakPolarHBondContact CB-OE2 3.42Å; K78-E80 VanDerWaalsContact CD-OE1 3.27Å; K78-E80 WeakPolarHBondContact CD-OE1 3.47Å; K78-E80 PolarHBondContact O-N 2.9Å; K78-D81 WeakPolarHBondContact CB-OD2 3.42Å; K78-D81 PolarHBondContact N-OD2 3.05Å; K78-D81 WeakPolarHBondContact O-CB 3.35Å; K78-D81 PolarHBondContact O-N 2.95Å; K78-D81 VanDerWaalsContact O-N 3.14Å
79R98.8Very high98.8Very high33 Ų3342.9 Ų42.913%0.12524%0.236CC..G310 helixtrans-61-39.3177.7175.458.2-169.592.9-7.6111.1I72 D81 I82 Y113 D115I72-R79 HydrophobicContact CD1-CB 4.03Å; R79-D81 PolarHBondContact O-N 3Å; R79-I82 PolarHBondContact NH1-O 3.25Å; R79-I82 PolarHBondContact O-N 2.84Å; R79-Y113 HydrophobicContact CG-CE1 4.05Å; R79-Y113 VanDerWaalsContact CZ-CE2 3.49Å; R79-Y113 PolarHBondContact NH2-O 2.99Å; R79-D115 IonicContact CZ-OD2 2.78Å; R79-D115 VanDerWaalsContact CZ-OD2 3.29Å; R79-D115 IonicContact NH1-OD1 3.05Å; R79-D115 PolarHBondContact NH1-OD1 2.85Å; R79-D115 IonicContact NH1-OD2 2.69Å; R79-D115 PolarHBondContact NH1-OD2 2.81Å; R79-D115 IonicContact NH2-OD1 2.69Å; R79-D115 IonicContact NH2-OD2 3.81Å; R79-D115 PolarHBondContact NH2-OD2 3.5Å
80E98.5Very high98.8Very high127 Ų12739.1 Ų39.159%0.59322%0.222SC*.G310 helixtrans-70.1-14.6178.361.7-93.5-144.200114.3K78 I82K78-E80 VanDerWaalsContact C-N 3.26Å; K78-E80 VanDerWaalsContact CB-CD 3.5Å; K78-E80 HydrophobicContact CB-CG 4.12Å; K78-E80 VanDerWaalsContact CB-OE2 3.31Å; K78-E80 WeakPolarHBondContact CB-OE2 3.42Å; K78-E80 VanDerWaalsContact CD-OE1 3.27Å; K78-E80 WeakPolarHBondContact CD-OE1 3.47Å; K78-E80 PolarHBondContact O-N 2.9Å; E80-I82 VanDerWaalsContact C-N 3.32Å
81D98.4Very high98.7Very high77 Ų7736.1 Ų36.141%0.41221%0.208SC..G310 helixtrans-81.5-15.4172.6-60.9-41.6000112R50 V77 K78 R79R50-D81 WeakPolarHBondContact CB-O 3.37Å; R50-D81 VanDerWaalsContact CD-O 3.32Å; R50-D81 WeakPolarHBondContact CD-O 3.39Å; V77-D81 HydrophobicContact CB-CB 4.24Å; K78-D81 WeakPolarHBondContact CB-OD2 3.42Å; K78-D81 PolarHBondContact N-OD2 3.05Å; K78-D81 WeakPolarHBondContact O-CB 3.35Å; K78-D81 PolarHBondContact O-N 2.95Å; K78-D81 VanDerWaalsContact O-N 3.14Å; R79-D81 PolarHBondContact O-N 3Å
82I98.9Very high98.7Very high2 Ų236.9 Ų36.91%0.0121%0.211CC..  trans-104.6132.1-174.3-62.9-69.9000110.1I45 F52 I68 V77 R79 E80 D115I45-I82 HydrophobicContact CD1-CD1 4.18Å; I45-I82 HydrophobicContact CG1-CD1 4.23Å; F52-I82 HydrophobicContact CD2-CD1 4.48Å; F52-I82 HydrophobicContact CD2-CG2 4.03Å; F52-I82 HydrophobicContact CE2-CD1 3.81Å; F52-I82 HydrophobicContact CE2-CG2 4.38Å; I68-I82 HydrophobicContact CD1-CG2 4.02Å; I68-I82 HydrophobicContact CG1-CG2 4.25Å; I68-I82 HydrophobicContact CG2-CG1 4.49Å; I68-I82 HydrophobicContact CG2-CG2 4.21Å; V77-I82 HydrophobicContact CB-CD1 4.41Å; V77-I82 HydrophobicContact CB-CG1 4.35Å; V77-I82 HydrophobicContact CG1-CD1 4.41Å; V77-I82 HydrophobicContact CG2-CD1 4.03Å; V77-I82 HydrophobicContact CG2-CG1 3.95Å; R79-I82 PolarHBondContact NH1-O 3.25Å; R79-I82 PolarHBondContact O-N 2.84Å; E80-I82 VanDerWaalsContact C-N 3.32Å; I82-D115 VanDerWaalsContact O-OD2 3.12Å
83F98.9Very high98.7Very high11 Ų1134.5 Ų34.55%0.04820%0.199CC..EExtended strand (participates in β ladder)trans-107.8112.1171.2-169-76.3000109.4L12 R17 I18 P19 R50 H51 F52 C85 D115 L116L12-F83 HydrophobicContact CD1-CE2 4.3Å; L12-F83 HydrophobicContact CD1-CZ 4.47Å; R17-F83 WeakPolarHBondContact O-CD2 3.46Å; R17-F83 WeakPolarHBondContact O-CE2 3.3Å; I18-F83 HydrophobicContact CB-CE2 3.94Å; I18-F83 HydrophobicContact CB-CZ 3.99Å; I18-F83 HydrophobicContact CD1-CE1 3.78Å; I18-F83 HydrophobicContact CD1-CE2 4.5Å; I18-F83 HydrophobicContact CD1-CZ 3.71Å; I18-F83 HydrophobicContact CG1-CD1 4.31Å; I18-F83 HydrophobicContact CG1-CD2 4.45Å; I18-F83 HydrophobicContact CG1-CE1 3.88Å; I18-F83 HydrophobicContact CG1-CE2 4.04Å; I18-F83 HydrophobicContact CG1-CZ 3.71Å; P19-F83 HydrophobicContact CG-CB 4.15Å; R50-F83 WeakPolarHBondContact O-CB 3.28Å; R50-F83 PolarHBondContact O-N 3.48Å; H51-F83 CarbonylContact C-O 3.53Å; H51-F83 VanDerWaalsContact CA-O 3.23Å; H51-F83 WeakPolarHBondContact CA-O 3.47Å; H51-F83 HydrophobicContact CB-CB 4.23Å; H51-F83 AromaticContact CD2-CD1 3.49Å; H51-F83 VanDerWaalsContact CD2-CD1 3.49Å; H51-F83 WeakPolarHBondContact CD2-CD1 3.38Å; H51-F83 AromaticContact NE2-CD1 3.84Å; H51-F83 AromaticContact NE2-CE1 3.99Å; F52-F83 PolarHBondContact N-O 3.38Å; F83-C85 HydrophobicContact CE1-CB 4.42Å; F83-D115 WeakPolarHBondContact CA-OD2 3.45Å; F83-D115 HydrophobicContact CB-CB 4.36Å; F83-D115 HydrophobicContact CD1-CB 4.09Å; F83-D115 HydrophobicContact CD2-CB 3.6Å; F83-D115 HydrophobicContact CE1-CB 4.31Å; F83-D115 HydrophobicContact CE2-CB 3.84Å; F83-D115 HydrophobicContact CG-CB 3.75Å; F83-D115 HydrophobicContact CZ-CB 4.21Å; F83-L116 HydrophobicContact CE1-CB 3.61Å; F83-L116 HydrophobicContact CE1-CD2 4.09Å; F83-L116 HydrophobicContact CZ-CB 3.54Å; F83-L116 HydrophobicContact CZ-CD2 4.12Å; F83-L116 HydrophobicContact CZ-CG 4.42Å
84Y98.9Very high98.7Very high0 Ų030.8 Ų30.80%017%0.167CC..EExtended strand (participates in β ladder)trans-108.4126.8172.9179.6-94.5000111.2F52 E61 V64 I68 T105 L109 V114 D115 L116F52-Y84 HydrophobicContact CB-CD2 4.13Å; F52-Y84 WeakPolarHBondContact O-CA 3.46Å; E61-Y84 PolarHBondContact OE1-OH 3.14Å; V64-Y84 HydrophobicContact CB-CE2 4.47Å; V64-Y84 HydrophobicContact CG1-CD2 4.01Å; V64-Y84 HydrophobicContact CG1-CE2 3.74Å; I68-Y84 HydrophobicContact CD1-CD2 4.31Å; Y84-T105 HydrophobicContact CE1-CG2 4.33Å; Y84-L109 HydrophobicContact CD1-CD1 3.76Å; Y84-L109 HydrophobicContact CE1-CD1 3.41Å; Y84-L109 VanDerWaalsContact CE1-CD1 3.41Å; Y84-L109 HydrophobicContact CE1-CD2 4.16Å; Y84-L109 HydrophobicContact CE1-CG 4.39Å; Y84-L109 HydrophobicContact CE2-CD2 4.02Å; Y84-V114 HydrophobicContact CD1-CB 4Å; Y84-V114 HydrophobicContact CD1-CG1 3.6Å; Y84-V114 HydrophobicContact CE1-CG1 3.92Å; Y84-D115 PolarHBondContact N-OD2 2.93Å; Y84-D115 PolarHBondContact O-N 3.38Å; Y84-L116 PolarHBondContact O-N 2.88Å; Y84-L116 VanDerWaalsContact O-N 3.09Å
85C98.9Very high98.7Very high0 Ų029.3 Ų29.30%016%0.162CC..EExtended strand (participates in β ladder)trans-101.3117.9170.6-176.60000110.1F52 G54 F83 L116F52-C85 PolarHBondContact O-N 3Å; G54-C85 PolarHBondContact N-O 2.84Å; G54-C85 VanDerWaalsContact O-O 3.14Å; F83-C85 HydrophobicContact CE1-CB 4.42Å; C85-L116 WeakPolarHBondContact CA-O 3.38Å; C85-L116 HydrophobicContact CB-CB 4.2Å; C85-L116 HydrophobicContact CB-CD2 4.24Å; C85-L116 HydrophobicContact CB-CG 4.45Å
86G98.9Very high98.7Very high0 Ų032.7 Ų32.70%016%0.161CC..EExtended strand (participates in β ladder)trans-104.9168168.300000111.5L116 Y117 I118G86-L116 PolarHBondContact N-O 3.27Å; G86-Y117 WeakPolarHBondContact O-CA 3.33Å; G86-Y117 WeakPolarHBondContact O-CD2 3.42Å; G86-I118 PolarHBondContact O-N 3.49Å
87K98.9Very high98.7Very high1 Ų132.4 Ų32.40%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-135141-175.7-45.3-170.5-178.276.30112.3D53 G54 A55 Y58 Y117 I118 E120D53-K87 IonicContact OD1-NZ 3.29Å; D53-K87 PolarHBondContact OD1-NZ 2.9Å; D53-K87 WeakPolarHBondContact OD2-CE 3.44Å; D53-K87 IonicContact OD2-NZ 3.65Å; D53-K87 PolarHBondContact OD2-NZ 3.01Å; G54-K87 WeakPolarHBondContact O-CG 3.5Å; G54-K87 PolarHBondContact O-NZ 3.4Å; A55-K87 HydrophobicContact CB-CB 4Å; A55-K87 HydrophobicContact CB-CD 3.98Å; A55-K87 HydrophobicContact CB-CG 3.95Å; Y58-K87 PolarHBondContact OH-NZ 2.91Å; K87-Y117 PolarHBondContact O-OH 3.47Å; K87-I118 CarbonylContact C-O 3.51Å; K87-I118 WeakPolarHBondContact CA-O 3.49Å; K87-I118 HydrophobicContact CB-CG1 4.14Å; K87-I118 HydrophobicContact CD-CD1 4.03Å; K87-I118 HydrophobicContact CD-CG1 4.25Å; K87-I118 HydrophobicContact CG-CD1 3.98Å; K87-I118 HydrophobicContact CG-CG1 3.77Å; K87-E120 HydrophobicContact CB-CB 3.87Å; K87-E120 HydrophobicContact CB-CG 4.01Å; K87-E120 WeakPolarHBondContact CB-OE2 3.42Å; K87-E120 HydrophobicContact CD-CB 4.38Å; K87-E120 HydrophobicContact CD-CG 3.73Å
88L98.9Very high98.7Very high0 Ų032.1 Ų32.10%016%0.155CC..EExtended strand (participates in β ladder)trans-87.9113171.7-17875.7000108.6F92 V98 A101 Y117 I118 E120 T150L88-F92 HydrophobicContact CD1-CB 3.57Å; L88-F92 HydrophobicContact CG-CB 4.24Å; L88-V98 HydrophobicContact CD1-CG1 4.42Å; L88-V98 HydrophobicContact CD2-CG1 4.24Å; L88-V98 HydrophobicContact CD2-CG2 3.93Å; L88-A101 HydrophobicContact CD1-CB 3.65Å; L88-Y117 HydrophobicContact CB-CE1 3.83Å; L88-Y117 HydrophobicContact CD1-CE1 4.22Å; L88-I118 PolarHBondContact N-O 3.03Å; L88-E120 WeakPolarHBondContact O-CB 3.49Å; L88-E120 PolarHBondContact O-N 3.44Å; L88-T150 HydrophobicContact CD2-CG2 3.71Å
89W98.7Very high98.8Very high11 Ų1132 Ų324%0.04215%0.151CC..  trans-75.6158.7-179.1-175-111000112.9V57 T91 F92 E120 F131 Y132 W314V57-W89 HydrophobicContact CB-CD2 4.35Å; V57-W89 HydrophobicContact CB-CE3 4.41Å; V57-W89 HydrophobicContact CG1-CB 3.9Å; V57-W89 HydrophobicContact CG1-CD2 3.47Å; V57-W89 VanDerWaalsContact CG1-CD2 3.47Å; V57-W89 HydrophobicContact CG1-CE3 3.96Å; V57-W89 HydrophobicContact CG1-CG 3.42Å; V57-W89 VanDerWaalsContact CG1-CG 3.42Å; V57-W89 HydrophobicContact CG2-CD2 4.08Å; V57-W89 HydrophobicContact CG2-CE3 3.66Å; V57-W89 HydrophobicContact CG2-CZ3 3.88Å; W89-T91 PolarHBondContact O-N 3.26Å; W89-F92 HydrophobicContact CB-CD2 4.09Å; W89-F92 HydrophobicContact CB-CE2 4.44Å; W89-F92 PolarHBondContact O-N 3.49Å; W89-E120 HydrophobicContact CE3-CB 4.14Å; W89-E120 VanDerWaalsContact CE3-CD 3.41Å; W89-E120 HydrophobicContact CE3-CG 3.85Å; W89-E120 VanDerWaalsContact CE3-OE2 3.26Å; W89-E120 HydrophobicContact CZ3-CG 3.96Å; W89-F131 AromaticContact CD1-CD1 3.65Å; W89-F131 HydrophobicContact CG-CD1 4.36Å; W89-F131 PolarHBondContact NE1-O 3.48Å; W89-Y132 AromaticContact CH2-CE1 3.74Å; W89-Y132 HydrophobicContact CH2-CE1 3.74Å; W89-Y132 AromaticContact CZ2-CD1 3.91Å; W89-Y132 HydrophobicContact CZ2-CD1 3.91Å; W89-Y132 AromaticContact CZ2-CE1 3.27Å; W89-Y132 HydrophobicContact CZ2-CE1 3.27Å; W89-Y132 AromaticContact CZ2-CZ 3.75Å; W89-W314 AromaticContact CH2-CH2 3.83Å; W89-W314 HydrophobicContact CH2-CH2 3.83Å; W89-W314 HydrophobicContact CZ2-CH2 4.27Å
90N98.6Very high98.8Very high0 Ų033.4 Ų33.40%017%0.165CC..G310 helixtrans-51.7-29.4-174.8-61.412.9000114.8F92 M121 T123 F125N90-F92 VanDerWaalsContact C-N 3.29Å; N90-F92 PolarHBondContact O-N 3.35Å; N90-M121 VanDerWaalsContact OD1-CB 3.26Å; N90-M121 WeakPolarHBondContact OD1-CB 3.34Å; N90-T123 WeakPolarHBondContact CB-O 3.4Å; N90-T123 PolarHBondContact ND2-O 2.97Å; N90-T123 PolarHBondContact ND2-OG1 3.42Å; N90-F125 HydrophobicContact CB-CB 4Å; N90-F125 HydrophobicContact CB-CD1 4.1Å; N90-F125 HydrophobicContact CB-CD2 3.74Å; N90-F125 HydrophobicContact CB-CE1 4.5Å; N90-F125 HydrophobicContact CB-CE2 4.2Å; N90-F125 HydrophobicContact CB-CG 3.68Å; N90-F125 WeakPolarHBondContact ND2-CZ 3.01Å; N90-F125 PolarHBondContact O-N 3.46Å
91T98.7Very high98.8Very high0 Ų027.5 Ų27.50%014%0.138CC..G310 helixtrans-84.72.8-179.659.10000114.1W89 F125 K126 P127 E130 P133W89-T91 PolarHBondContact O-N 3.26Å; T91-F125 HydrophobicContact CG2-CB 3.74Å; T91-K126 WeakPolarHBondContact CG2-O 3.48Å; T91-P127 WeakPolarHBondContact O-CA 3.36Å; T91-E130 WeakPolarHBondContact CG2-O 3.16Å; T91-P133 HydrophobicContact CG2-CG 4.35Å
92F98.6Very high98.8Very high26 Ų2623.8 Ų23.811%0.11412%0.118CC..G310 helixtrans-121.619.5-178.7-58.2-88000113.1L56 L88 W89 N90 P94 L97 A101 F131L56-F92 HydrophobicContact CD2-CE2 3.88Å; L56-F92 HydrophobicContact CD2-CZ 4.19Å; L88-F92 HydrophobicContact CD1-CB 3.57Å; L88-F92 HydrophobicContact CG-CB 4.24Å; W89-F92 HydrophobicContact CB-CD2 4.09Å; W89-F92 HydrophobicContact CB-CE2 4.44Å; W89-F92 PolarHBondContact O-N 3.49Å; N90-F92 VanDerWaalsContact C-N 3.29Å; N90-F92 PolarHBondContact O-N 3.35Å; F92-P94 VanDerWaalsContact C-CD 3.43Å; F92-L97 HydrophobicContact CB-CB 4.38Å; F92-L97 HydrophobicContact CD1-CB 4.3Å; F92-A101 HydrophobicContact CB-CB 3.91Å; F92-A101 HydrophobicContact CD1-CB 3.74Å; F92-A101 HydrophobicContact CE1-CB 4.46Å; F92-A101 HydrophobicContact CG-CB 3.81Å; F92-F131 HydrophobicContact CE2-CD1 4.09Å; F92-F131 AromaticContact CE2-CE1 3.72Å; F92-F131 HydrophobicContact CE2-CE1 3.72Å; F92-F131 HydrophobicContact CZ-CE1 4.1Å
93H98.8Very high98.8Very high4 Ų427.4 Ų27.42%0.01914%0.135CC..  trans-65.7-31.6176.3-77.3-147.6000115.2M121 A124 T150H93-M121 PolarHBondContact CE1-O 3.32Å; H93-M121 PolarHBondContact NE2-O 2.92Å; H93-A124 HydrophobicContact CB-CB 3.83Å; H93-T150 PolarHBondContact O-OG1 3.23Å
94P98.6Very high98.8Very high11 Ų1132.4 Ų32.47%0.07115%0.154CC..SBendtrans-53.3130.3174.8-27.334.5000111.2F92 E96 L97 V98 P127F92-P94 VanDerWaalsContact C-CD 3.43Å; P94-E96 WeakPolarHBondContact CB-OE1 3.41Å; P94-E96 PolarHBondContact O-N 2.87Å; P94-E96 VanDerWaalsContact O-N 3.09Å; P94-L97 HydrophobicContact CB-CD1 4.12Å; P94-L97 HydrophobicContact CB-CG 4.18Å; P94-L97 HydrophobicContact CG-CD1 3.99Å; P94-L97 WeakPolarHBondContact O-CB 3.42Å; P94-L97 PolarHBondContact O-N 3.39Å; P94-V98 PolarHBondContact O-N 3.31Å; P94-P127 HydrophobicContact CG-CB 4.47Å; P94-P127 HydrophobicContact CG-CG 3.5Å; P94-P127 VanDerWaalsContact CG-CG 3.5Å
95P98.7Very high98.8Very high58 Ų5832.4 Ų32.438%0.37715%0.154SC..Hα-helixtrans-51.1-39.1-171.4-31.437000114.6L97 V98 A149 A153P95-L97 PolarHBondContact O-N 2.92Å; P95-V98 PolarHBondContact O-N 3.31Å; P95-A149 HydrophobicContact CG-CB 3.78Å; P95-A153 HydrophobicContact CB-CB 4.04Å; P95-A153 WeakPolarHBondContact O-CB 3.46Å
96E98.6Very high98.8Very high133 Ų13333.2 Ų33.262%0.62116%0.158SC*.Hα-helixtrans-66.9-18.8179.369.1-80.3-171.500114P94 P100P94-E96 WeakPolarHBondContact CB-OE1 3.41Å; P94-E96 PolarHBondContact O-N 2.87Å; P94-E96 VanDerWaalsContact O-N 3.09Å; E96-P100 VanDerWaalsContact O-CD 3.29Å; E96-P100 WeakPolarHBondContact O-CD 3.32Å; E96-P100 WeakPolarHBondContact O-CG 3.25Å
97L98.7Very high98.8Very high52 Ų5241.5 Ų41.527%0.27219%0.194SC..Hα-helixtrans-95.4-17.6179.9-61-176.1000113.5F92 P94 P95 P100 A101 P127F92-L97 HydrophobicContact CB-CB 4.38Å; F92-L97 HydrophobicContact CD1-CB 4.3Å; P94-L97 HydrophobicContact CB-CD1 4.12Å; P94-L97 HydrophobicContact CB-CG 4.18Å; P94-L97 HydrophobicContact CG-CD1 3.99Å; P94-L97 WeakPolarHBondContact O-CB 3.42Å; P94-L97 PolarHBondContact O-N 3.39Å; P95-L97 PolarHBondContact O-N 2.92Å; L97-P100 WeakPolarHBondContact O-CD 3.17Å; L97-A101 VanDerWaalsContact O-CB 3.3Å; L97-A101 WeakPolarHBondContact O-CB 3.33Å; L97-A101 PolarHBondContact O-N 2.9Å; L97-P127 HydrophobicContact CD1-CB 3.79Å; L97-P127 HydrophobicContact CD1-CG 4.31Å
98V98.9Very high98.8Very high0 Ų043.1 Ų43.10%021%0.207CC..Hα-helixtrans-60.4-52.4-175.3174.80000112L88 P94 P95 A101 L102 T150 A153 L154L88-V98 HydrophobicContact CD1-CG1 4.42Å; L88-V98 HydrophobicContact CD2-CG1 4.24Å; L88-V98 HydrophobicContact CD2-CG2 3.93Å; P94-V98 PolarHBondContact O-N 3.31Å; P95-V98 PolarHBondContact O-N 3.31Å; V98-A101 PolarHBondContact O-N 2.94Å; V98-L102 PolarHBondContact O-N 3.14Å; V98-L102 VanDerWaalsContact O-N 3.08Å; V98-T150 HydrophobicContact CG2-CG2 4.04Å; V98-A153 HydrophobicContact CB-CB 3.71Å; V98-A153 HydrophobicContact CG1-CB 4.04Å; V98-A153 HydrophobicContact CG2-CB 3.75Å; V98-L154 HydrophobicContact CG1-CD2 3.54Å; V98-L154 HydrophobicContact CG1-CG 3.78Å
99R98.9Very high98.8Very high125 Ų12543.1 Ų43.147%0.47221%0.207SC..Hα-helixtrans-65.2-48.3179.7174.2176174.3162.12.9112.1A101 L102 E103 L162R99-A101 PolarHBondContact O-N 3.4Å; R99-L102 PolarHBondContact O-N 3.21Å; R99-L102 VanDerWaalsContact O-N 3.16Å; R99-E103 HydrophobicContact CG-CG 4.25Å; R99-E103 IonicContact CZ-OE1 2.93Å; R99-E103 IonicContact NE-OE1 2.93Å; R99-E103 PolarHBondContact NE-OE1 3.37Å; R99-E103 IonicContact NH2-OE1 2.82Å; R99-E103 PolarHBondContact NH2-OE1 3.2Å; R99-E103 WeakPolarHBondContact O-CG 3.23Å; R99-E103 PolarHBondContact O-N 2.97Å; R99-L162 HydrophobicContact CG-CD1 4.17Å
100P98.8Very high98.8Very high64 Ų6449.4 Ų49.442%0.41624%0.235SC..Hα-helixtrans-55.1-36.9173.3-29.435.6000114.1E96 L97 E103 R104E96-P100 VanDerWaalsContact O-CD 3.29Å; E96-P100 WeakPolarHBondContact O-CD 3.32Å; E96-P100 WeakPolarHBondContact O-CG 3.25Å; L97-P100 WeakPolarHBondContact O-CD 3.17Å; P100-E103 PolarHBondContact O-N 3.29Å; P100-R104 WeakPolarHBondContact O-CB 3.47Å; P100-R104 PolarHBondContact O-N 3.31Å
101A98.8Very high98.8Very high2 Ų250.3 Ų50.32%0.01724%0.24CC..Hα-helixtrans-65.3-45176.100000112L88 F92 L97 V98 R99 R104 T105L88-A101 HydrophobicContact CD1-CB 3.65Å; F92-A101 HydrophobicContact CB-CB 3.91Å; F92-A101 HydrophobicContact CD1-CB 3.74Å; F92-A101 HydrophobicContact CE1-CB 4.46Å; F92-A101 HydrophobicContact CG-CB 3.81Å; L97-A101 VanDerWaalsContact O-CB 3.3Å; L97-A101 WeakPolarHBondContact O-CB 3.33Å; L97-A101 PolarHBondContact O-N 2.9Å; V98-A101 PolarHBondContact O-N 2.94Å; R99-A101 PolarHBondContact O-N 3.4Å; A101-R104 WeakPolarHBondContact O-CB 3.44Å; A101-R104 PolarHBondContact O-N 3.49Å; A101-T105 PolarHBondContact O-N 3.14Å; A101-T105 VanDerWaalsContact O-N 3.11Å
102L98.9Very high98.8Very high0 Ų057.2 Ų57.20%028%0.277CS..Hα-helixtrans-63.1-45.5174.1176.257.1000111.7V98 R99 R104 T105 L106 V114 Y117 C157 L162 V163V98-L102 PolarHBondContact O-N 3.14Å; V98-L102 VanDerWaalsContact O-N 3.08Å; R99-L102 PolarHBondContact O-N 3.21Å; R99-L102 VanDerWaalsContact O-N 3.16Å; L102-R104 PolarHBondContact O-N 3.16Å; L102-T105 WeakPolarHBondContact O-CB 3.37Å; L102-T105 PolarHBondContact O-N 2.85Å; L102-T105 VanDerWaalsContact O-N 3.07Å; L102-L106 HydrophobicContact CD1-CG 4.22Å; L102-L106 HydrophobicContact CG-CD1 4.25Å; L102-L106 HydrophobicContact CG-CG 4.41Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 3.41Å; L102-V114 HydrophobicContact CD1-CG1 4.44Å; L102-V114 HydrophobicContact CD1-CG2 3.8Å; L102-Y117 HydrophobicContact CB-CD1 4.31Å; L102-Y117 HydrophobicContact CB-CE1 3.82Å; L102-Y117 HydrophobicContact CD1-CD1 4.05Å; L102-Y117 HydrophobicContact CD1-CD2 3.73Å; L102-Y117 HydrophobicContact CD1-CE1 4.12Å; L102-Y117 HydrophobicContact CD1-CE2 3.81Å; L102-Y117 HydrophobicContact CD1-CG 3.87Å; L102-Y117 HydrophobicContact CD2-CD1 4.36Å; L102-Y117 HydrophobicContact CG-CD1 4.47Å; L102-Y117 HydrophobicContact CG-CE1 4.41Å; L102-C157 HydrophobicContact CD2-CB 3.74Å; L102-L162 HydrophobicContact CD2-CB 3.63Å; L102-L162 HydrophobicContact CD2-CD1 4.36Å; L102-L162 HydrophobicContact CG-CB 4.41Å; L102-V163 HydrophobicContact CD2-CB 4.29Å; L102-V163 HydrophobicContact CD2-CG1 4.19Å
103E98.9Very high98.8Very high78 Ų7858 Ų5836%0.36428%0.279SS..Hα-helixtrans-60.7-33.8177.4-73176.2166.200111.8R99 P100 L106 K107 L162R99-E103 HydrophobicContact CG-CG 4.25Å; R99-E103 IonicContact CZ-OE1 2.93Å; R99-E103 IonicContact NE-OE1 2.93Å; R99-E103 PolarHBondContact NE-OE1 3.37Å; R99-E103 IonicContact NH2-OE1 2.82Å; R99-E103 PolarHBondContact NH2-OE1 3.2Å; R99-E103 WeakPolarHBondContact O-CG 3.23Å; R99-E103 PolarHBondContact O-N 2.97Å; P100-E103 PolarHBondContact O-N 3.29Å; E103-L106 PolarHBondContact O-N 2.9Å; E103-K107 WeakPolarHBondContact O-CB 3.16Å; E103-K107 PolarHBondContact O-N 3.2Å; E103-L162 HydrophobicContact CG-CD1 4.2Å
104R98.8Very high98.8Very high116 Ų11657.8 Ų57.844%0.43828%0.278SS..Hα-helixtrans-63.5-46.4171.2178.6-179.1176.8-179.4-1.5111.9L56 P100 A101 L102 K107 A108L56-R104 HydrophobicContact CD1-CG 4.35Å; P100-R104 WeakPolarHBondContact O-CB 3.47Å; P100-R104 PolarHBondContact O-N 3.31Å; A101-R104 WeakPolarHBondContact O-CB 3.44Å; A101-R104 PolarHBondContact O-N 3.49Å; L102-R104 PolarHBondContact O-N 3.16Å; R104-K107 PolarHBondContact O-N 3.22Å; R104-A108 PolarHBondContact O-N 2.83Å
105T98.9Very high98.8Very high0 Ų058 Ų580%028%0.279CS..Hα-helixtrans-59.2-47.6173.6-76.50000110.9E61 Y84 A101 L102 K107 A108 L109 V114E61-T105 WeakPolarHBondContact OE1-CG2 3.38Å; E61-T105 PolarHBondContact OE1-OG1 3.12Å; E61-T105 PolarHBondContact OE2-OG1 3.32Å; Y84-T105 HydrophobicContact CE1-CG2 4.33Å; A101-T105 PolarHBondContact O-N 3.14Å; A101-T105 VanDerWaalsContact O-N 3.11Å; L102-T105 WeakPolarHBondContact O-CB 3.37Å; L102-T105 PolarHBondContact O-N 2.85Å; L102-T105 VanDerWaalsContact O-N 3.07Å; T105-K107 VanDerWaalsContact C-N 3.32Å; T105-K107 PolarHBondContact O-N 3.34Å; T105-A108 WeakPolarHBondContact O-CB 3.27Å; T105-A108 PolarHBondContact O-N 3.11Å; T105-A108 VanDerWaalsContact O-N 3.12Å; T105-L109 HydrophobicContact CG2-CD1 3.57Å; T105-L109 HydrophobicContact CG2-CG 4.31Å; T105-L109 VanDerWaalsContact O-CG 3.29Å; T105-L109 WeakPolarHBondContact O-CG 3.36Å; T105-L109 PolarHBondContact O-N 3.43Å; T105-V114 HydrophobicContact CG2-CG1 4.23Å
106L98.9Very high98.8Very high16 Ų1655.3 Ų55.38%0.08426%0.261CS..Hα-helixtrans-59-42.3178-68.2176.9000112.2L102 E103 L109 K110 L111 Y113 V114 L162L102-L106 HydrophobicContact CD1-CG 4.22Å; L102-L106 HydrophobicContact CG-CD1 4.25Å; L102-L106 HydrophobicContact CG-CG 4.41Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 3.41Å; E103-L106 PolarHBondContact O-N 2.9Å; L106-L109 PolarHBondContact O-N 3.45Å; L106-K110 VanDerWaalsContact O-CA 3.3Å; L106-K110 WeakPolarHBondContact O-CA 3.41Å; L106-K110 PolarHBondContact O-N 3.49Å; L106-L111 PolarHBondContact O-N 3.15Å; L106-Y113 VanDerWaalsContact CD2-C 3.48Å; L106-V114 HydrophobicContact CD2-CG1 3.78Å; L106-L162 HydrophobicContact CD1-CB 4.1Å; L106-L162 HydrophobicContact CD1-CD2 3.93Å; L106-L162 HydrophobicContact CD1-CG 4.48Å
107K98.9Very high98.9Very high175 Ų17549 Ų4976%0.76123%0.231SC*.Hα-helixtrans-63.1-41.9174.7-176-180-178.8179.20112.3E103 R104 T105 K110E103-K107 WeakPolarHBondContact O-CB 3.16Å; E103-K107 PolarHBondContact O-N 3.2Å; R104-K107 PolarHBondContact O-N 3.22Å; T105-K107 VanDerWaalsContact C-N 3.32Å; T105-K107 PolarHBondContact O-N 3.34Å; K107-K110 WeakPolarHBondContact O-CG 3.37Å; K107-K110 PolarHBondContact O-N 3.38Å
108A98.8Very high98.9Very high34 Ų3446.5 Ų46.528%0.28122%0.218SC..Hα-helixtrans-64-44.2177.200000111.2E61 H62 R104 T105 K110E61-A108 HydrophobicContact CB-CB 4.26Å; H62-A108 WeakPolarHBondContact CA-O 3.42Å; R104-A108 PolarHBondContact O-N 2.83Å; T105-A108 WeakPolarHBondContact O-CB 3.27Å; T105-A108 PolarHBondContact O-N 3.11Å; T105-A108 VanDerWaalsContact O-N 3.12Å; A108-K110 VanDerWaalsContact C-N 3.29Å; A108-K110 PolarHBondContact O-N 3.42Å
109L98.9Very high98.9Very high0 Ų046.5 Ų46.50%022%0.218CC..Hα-helixtrans-69.4-29.8177.5-65165.6000112.5E61 G65 R69 Y84 T105 L106 L111 V114E61-L109 HydrophobicContact CB-CD2 4.38Å; E61-L109 WeakPolarHBondContact O-CD2 3.37Å; G65-L109 WeakPolarHBondContact CA-O 3.39Å; R69-L109 PolarHBondContact NE-O 3.48Å; R69-L109 VanDerWaalsContact NE-O 3.12Å; Y84-L109 HydrophobicContact CD1-CD1 3.76Å; Y84-L109 HydrophobicContact CE1-CD1 3.41Å; Y84-L109 VanDerWaalsContact CE1-CD1 3.41Å; Y84-L109 HydrophobicContact CE1-CD2 4.16Å; Y84-L109 HydrophobicContact CE1-CG 4.39Å; Y84-L109 HydrophobicContact CE2-CD2 4.02Å; T105-L109 HydrophobicContact CG2-CD1 3.57Å; T105-L109 HydrophobicContact CG2-CG 4.31Å; T105-L109 VanDerWaalsContact O-CG 3.29Å; T105-L109 WeakPolarHBondContact O-CG 3.36Å; T105-L109 PolarHBondContact O-N 3.43Å; L106-L109 PolarHBondContact O-N 3.45Å; L109-L111 HydrophobicContact CB-CB 4.17Å; L109-L111 HydrophobicContact CB-CD1 4.05Å; L109-L111 HydrophobicContact CB-CG 3.93Å; L109-L111 HydrophobicContact CD1-CD1 4.48Å; L109-V114 HydrophobicContact CD1-CG1 3.85Å
110K98.8Very high98.9Very high144 Ų14441.2 Ų41.263%0.62620%0.199SC*.THydrogen-bonded Turntrans56.548.1-164.2-50.4-178-178.6-177.20111.5R69 L106 K107 A108R69-K110 WeakPolarHBondContact CD-O 3.48Å; L106-K110 VanDerWaalsContact O-CA 3.3Å; L106-K110 WeakPolarHBondContact O-CA 3.41Å; L106-K110 PolarHBondContact O-N 3.49Å; K107-K110 WeakPolarHBondContact O-CG 3.37Å; K107-K110 PolarHBondContact O-N 3.38Å; A108-K110 VanDerWaalsContact C-N 3.29Å; A108-K110 PolarHBondContact O-N 3.42Å
111L98.8Very high98.9Very high19 Ų1938.4 Ų38.410%0.09918%0.181CC..  trans-123.1153.2176.2-63.7177.9000109.4R69 L106 L109R69-L111 HydrophobicContact CG-CD2 4.07Å; L106-L111 PolarHBondContact O-N 3.15Å; L109-L111 HydrophobicContact CB-CB 4.17Å; L109-L111 HydrophobicContact CB-CD1 4.05Å; L109-L111 HydrophobicContact CB-CG 3.93Å; L109-L111 HydrophobicContact CD1-CD1 4.48Å
112D98.9Very high98.9Very high145 Ų14538.3 Ų38.378%0.77518%0.18SC*.SBendtrans-78.9-24.6-178.3-54.7-48.8000113.1
113Y98.9Very high98.8Very high41 Ų4138.3 Ų38.316%0.16118%0.18CC..  trans-152.7160.2179.471.3-89.8000112.2R79 L106 D115 L162 K164R79-Y113 HydrophobicContact CG-CE1 4.05Å; R79-Y113 VanDerWaalsContact CZ-CE2 3.49Å; R79-Y113 PolarHBondContact NH2-O 2.99Å; L106-Y113 VanDerWaalsContact CD2-C 3.48Å; Y113-D115 WeakPolarHBondContact CE2-OD1 3.01Å; Y113-L162 VanDerWaalsContact CA-O 3.23Å; Y113-L162 WeakPolarHBondContact CA-O 3.41Å; Y113-L162 WeakPolarHBondContact CB-O 3.38Å; Y113-K164 HydrophobicContact CD2-CD 4.14Å; Y113-K164 HydrophobicContact CD2-CG 3.65Å; Y113-K164 HydrophobicContact CE2-CD 4.24Å; Y113-K164 VanDerWaalsContact CE2-CE 3.47Å; Y113-K164 HydrophobicContact CE2-CG 3.71Å
114V98.9Very high98.8Very high0 Ų034.6 Ų34.60%016%0.162CC..EExtended strand (participates in β ladder)trans-106.4149.7165-59.20000110.9Y84 L102 T105 L106 L109 Y117 L162 V163 K164Y84-V114 HydrophobicContact CD1-CB 4Å; Y84-V114 HydrophobicContact CD1-CG1 3.6Å; Y84-V114 HydrophobicContact CE1-CG1 3.92Å; L102-V114 HydrophobicContact CD1-CG1 4.44Å; L102-V114 HydrophobicContact CD1-CG2 3.8Å; T105-V114 HydrophobicContact CG2-CG1 4.23Å; L106-V114 HydrophobicContact CD2-CG1 3.78Å; L109-V114 HydrophobicContact CD1-CG1 3.85Å; V114-Y117 HydrophobicContact CG2-CD2 4.13Å; V114-Y117 HydrophobicContact CG2-CG 4.33Å; V114-L162 PolarHBondContact N-O 3.4Å; V114-L162 VanDerWaalsContact N-O 3.12Å; V114-V163 HydrophobicContact CG2-CB 3.9Å; V114-V163 HydrophobicContact CG2-CG2 3.83Å; V114-V163 VanDerWaalsContact O-CA 3.27Å; V114-V163 WeakPolarHBondContact O-CA 3.3Å; V114-K164 PolarHBondContact O-N 2.93Å
115D98.9Very high98.8Very high16 Ų1629.1 Ų29.19%0.08614%0.142CC..EExtended strand (participates in β ladder)trans-77.5-33.1-176.4-57.8-88.1000111.5R79 I82 F83 Y84 Y113 K164 S165R79-D115 IonicContact CZ-OD2 2.78Å; R79-D115 VanDerWaalsContact CZ-OD2 3.29Å; R79-D115 IonicContact NH1-OD1 3.05Å; R79-D115 PolarHBondContact NH1-OD1 2.85Å; R79-D115 IonicContact NH1-OD2 2.69Å; R79-D115 PolarHBondContact NH1-OD2 2.81Å; R79-D115 IonicContact NH2-OD1 2.69Å; R79-D115 IonicContact NH2-OD2 3.81Å; R79-D115 PolarHBondContact NH2-OD2 3.5Å; I82-D115 VanDerWaalsContact O-OD2 3.12Å; F83-D115 WeakPolarHBondContact CA-OD2 3.45Å; F83-D115 HydrophobicContact CB-CB 4.36Å; F83-D115 HydrophobicContact CD1-CB 4.09Å; F83-D115 HydrophobicContact CD2-CB 3.6Å; F83-D115 HydrophobicContact CE1-CB 4.31Å; F83-D115 HydrophobicContact CE2-CB 3.84Å; F83-D115 HydrophobicContact CG-CB 3.75Å; F83-D115 HydrophobicContact CZ-CB 4.21Å; Y84-D115 PolarHBondContact N-OD2 2.93Å; Y84-D115 PolarHBondContact O-N 3.38Å; Y113-D115 WeakPolarHBondContact CE2-OD1 3.01Å; D115-K164 WeakPolarHBondContact O-CB 3.23Å; D115-S165 VanDerWaalsContact O-CB 3.29Å; D115-S165 WeakPolarHBondContact O-CB 3.44Å; D115-S165 PolarHBondContact O-N 3.25Å; D115-S165 PolarHBondContact O-OG 3.36Å
116L99Very high98.8Very high1 Ų134.3 Ų34.31%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-139.2135.4174.1177.562000109.8I18 F83 Y84 C85 G86 I118 S165 V190I18-L116 HydrophobicContact CD1-CD2 4.48Å; F83-L116 HydrophobicContact CE1-CB 3.61Å; F83-L116 HydrophobicContact CE1-CD2 4.09Å; F83-L116 HydrophobicContact CZ-CB 3.54Å; F83-L116 HydrophobicContact CZ-CD2 4.12Å; F83-L116 HydrophobicContact CZ-CG 4.42Å; Y84-L116 PolarHBondContact O-N 2.88Å; Y84-L116 VanDerWaalsContact O-N 3.09Å; C85-L116 WeakPolarHBondContact CA-O 3.38Å; C85-L116 HydrophobicContact CB-CB 4.2Å; C85-L116 HydrophobicContact CB-CD2 4.24Å; C85-L116 HydrophobicContact CB-CG 4.45Å; G86-L116 PolarHBondContact N-O 3.27Å; L116-I118 HydrophobicContact CD1-CG2 3.74Å; L116-I118 HydrophobicContact CD2-CG2 3.97Å; L116-I118 HydrophobicContact CG-CG2 3.65Å; L116-S165 WeakPolarHBondContact CA-O 3.4Å; L116-S165 WeakPolarHBondContact CD1-O 3.39Å; L116-V190 HydrophobicContact CD1-CG2 4.37Å
117Y98.9Very high98.8Very high1 Ų135.6 Ų35.60%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-128130168.6-156.1-122.6000109.1G86 K87 L88 L102 V114 L154 S165 G167G86-Y117 WeakPolarHBondContact O-CA 3.33Å; G86-Y117 WeakPolarHBondContact O-CD2 3.42Å; K87-Y117 PolarHBondContact O-OH 3.47Å; L88-Y117 HydrophobicContact CB-CE1 3.83Å; L88-Y117 HydrophobicContact CD1-CE1 4.22Å; L102-Y117 HydrophobicContact CB-CD1 4.31Å; L102-Y117 HydrophobicContact CB-CE1 3.82Å; L102-Y117 HydrophobicContact CD1-CD1 4.05Å; L102-Y117 HydrophobicContact CD1-CD2 3.73Å; L102-Y117 HydrophobicContact CD1-CE1 4.12Å; L102-Y117 HydrophobicContact CD1-CE2 3.81Å; L102-Y117 HydrophobicContact CD1-CG 3.87Å; L102-Y117 HydrophobicContact CD2-CD1 4.36Å; L102-Y117 HydrophobicContact CG-CD1 4.47Å; L102-Y117 HydrophobicContact CG-CE1 4.41Å; V114-Y117 HydrophobicContact CG2-CD2 4.13Å; V114-Y117 HydrophobicContact CG2-CG 4.33Å; Y117-L154 HydrophobicContact CD1-CD2 3.6Å; Y117-L154 HydrophobicContact CE1-CD2 4.1Å; Y117-S165 PolarHBondContact N-O 3.15Å; Y117-S165 VanDerWaalsContact N-O 3.13Å; Y117-G167 PolarHBondContact O-N 2.87Å; Y117-G167 VanDerWaalsContact O-N 3.15Å
118I99Very high98.5Very high0 Ų029.1 Ų29.10%016%0.157CC..EExtended strand (participates in β ladder)trans-127.3149.1-173.169.5-172.5000112.3G86 K87 L88 L116 E120 G167 Q193G86-I118 PolarHBondContact O-N 3.49Å; K87-I118 CarbonylContact C-O 3.51Å; K87-I118 WeakPolarHBondContact CA-O 3.49Å; K87-I118 HydrophobicContact CB-CG1 4.14Å; K87-I118 HydrophobicContact CD-CD1 4.03Å; K87-I118 HydrophobicContact CD-CG1 4.25Å; K87-I118 HydrophobicContact CG-CD1 3.98Å; K87-I118 HydrophobicContact CG-CG1 3.77Å; L88-I118 PolarHBondContact N-O 3.03Å; L116-I118 HydrophobicContact CD1-CG2 3.74Å; L116-I118 HydrophobicContact CD2-CG2 3.97Å; L116-I118 HydrophobicContact CG-CG2 3.65Å; I118-E120 PolarHBondContact O-N 2.93Å; I118-G167 WeakPolarHBondContact CA-O 3.3Å; I118-G167 WeakPolarHBondContact CB-O 3.41Å; I118-G167 VanDerWaalsContact CG2-C 3.47Å; I118-Q193 HydrophobicContact CD1-CB 3.97Å
119I98.9Very high98.2Very high0 Ų035.1 Ų35.10%018%0.184CC..EExtended strand (participates in β ladder)trans-65.7121.3162.8-58.2178.5000107.7M121 T150 W151 L154 G167 V168 S169 F171I119-M121 WeakPolarHBondContact CG2-O 3.3Å; I119-T150 HydrophobicContact CD1-CG2 3.98Å; I119-T150 HydrophobicContact CG1-CG2 4.36Å; I119-W151 HydrophobicContact CD1-CE3 4.02Å; I119-L154 HydrophobicContact CD1-CD1 3.93Å; I119-L154 HydrophobicContact CG1-CD1 3.44Å; I119-L154 VanDerWaalsContact CG1-CD1 3.44Å; I119-G167 PolarHBondContact N-O 2.92Å; I119-V168 HydrophobicContact CB-CG1 4.44Å; I119-V168 HydrophobicContact CD1-CG1 4.47Å; I119-V168 CarbonylContact O-C 3.54Å; I119-S169 WeakPolarHBondContact O-CB 3.02Å; I119-S169 PolarHBondContact O-N 3.36Å; I119-F171 HydrophobicContact CB-CE2 4.04Å; I119-F171 HydrophobicContact CB-CZ 4.1Å; I119-F171 HydrophobicContact CD1-CZ 3.97Å; I119-F171 HydrophobicContact CG2-CE2 3.8Å; I119-F171 HydrophobicContact CG2-CZ 3.95Å
120E98.9Very high98.1Very high13 Ų1341.3 Ų41.36%0.06121%0.213CC..SBendtrans-71.7-37.8-172.1-166.7153.2-173.900113.1K87 L88 W89 I118 S169 N170K87-E120 HydrophobicContact CB-CB 3.87Å; K87-E120 HydrophobicContact CB-CG 4.01Å; K87-E120 WeakPolarHBondContact CB-OE2 3.42Å; K87-E120 HydrophobicContact CD-CB 4.38Å; K87-E120 HydrophobicContact CD-CG 3.73Å; L88-E120 WeakPolarHBondContact O-CB 3.49Å; L88-E120 PolarHBondContact O-N 3.44Å; W89-E120 HydrophobicContact CE3-CB 4.14Å; W89-E120 VanDerWaalsContact CE3-CD 3.41Å; W89-E120 HydrophobicContact CE3-CG 3.85Å; W89-E120 VanDerWaalsContact CE3-OE2 3.26Å; W89-E120 HydrophobicContact CZ3-CG 3.96Å; I118-E120 PolarHBondContact O-N 2.93Å; E120-S169 VanDerWaalsContact O-CB 3.29Å; E120-S169 WeakPolarHBondContact O-CB 3.25Å; E120-N170 PolarHBondContact O-ND2 2.96Å
121M98.6Very high98Very high6 Ų635.3 Ų35.33%0.0319%0.187CC..  trans-143.6153172.4-63.1-72.1-57.100109.2N90 H93 I119 T123 N170 L311 W314 P321N90-M121 VanDerWaalsContact OD1-CB 3.26Å; N90-M121 WeakPolarHBondContact OD1-CB 3.34Å; H93-M121 PolarHBondContact CE1-O 3.32Å; H93-M121 PolarHBondContact NE2-O 2.92Å; I119-M121 WeakPolarHBondContact CG2-O 3.3Å; M121-T123 WeakPolarHBondContact CB-OG1 3.47Å; M121-T123 PolarHBondContact O-N 3.36Å; M121-T123 VanDerWaalsContact O-N 3.13Å; M121-N170 HydrophobicContact CE-CB 3.88Å; M121-N170 HydrophobicContact SD-CB 3.51Å; M121-N170 VanDerWaalsContact SD-CB 3.51Å; M121-N170 PolarHBondContact SD-ND2 2.84Å; M121-L311 HydrophobicContact CE-CD1 3.33Å; M121-L311 HydrophobicContact SD-CD1 3.71Å; M121-W314 HydrophobicContact CE-CE3 4.33Å; M121-W314 HydrophobicContact CE-CZ3 4.35Å; M121-W314 HydrophobicContact CG-CZ3 4.39Å; M121-P321 HydrophobicContact CE-CG 4.12Å
122P98.6Very high97.9Very high0 Ų039.5 Ų39.50%020%0.202CC..SBendtrans-72.83.6171.831-35.8000113.8T145 L147 F171 Q175 E319 P321P122-T145 WeakPolarHBondContact O-CG2 3.44Å; P122-L147 HydrophobicContact CB-CD1 4.17Å; P122-L147 HydrophobicContact CB-CD2 4.27Å; P122-F171 HydrophobicContact CB-CD2 3.87Å; P122-F171 HydrophobicContact CB-CE2 3.63Å; P122-F171 HydrophobicContact CB-CG 4.49Å; P122-F171 HydrophobicContact CB-CZ 4.02Å; P122-F171 HydrophobicContact CG-CD2 4.13Å; P122-F171 HydrophobicContact CG-CE2 4.29Å; P122-Q175 HydrophobicContact CB-CG 4.37Å; P122-Q175 VanDerWaalsContact CB-NE2 3.29Å; P122-Q175 VanDerWaalsContact CG-NE2 3.32Å; P122-E319 HydrophobicContact CB-CB 4.47Å; P122-E319 WeakPolarHBondContact CG-O 3.38Å; P122-E319 WeakPolarHBondContact O-CB 3.48Å; P122-P321 HydrophobicContact CG-CB 3.95Å; P122-P321 HydrophobicContact CG-CG 3.98Å
123T98.4Very high97.8Very high0 Ų032.9 Ų32.90%017%0.167CC..  trans-101.8111.2-172.556.30000111.9N90 M121 H317 E319N90-T123 WeakPolarHBondContact CB-O 3.4Å; N90-T123 PolarHBondContact ND2-O 2.97Å; N90-T123 PolarHBondContact ND2-OG1 3.42Å; M121-T123 WeakPolarHBondContact CB-OG1 3.47Å; M121-T123 PolarHBondContact O-N 3.36Å; M121-T123 VanDerWaalsContact O-N 3.13Å; T123-H317 VanDerWaalsContact CA-CE1 3.46Å; T123-H317 WeakPolarHBondContact CA-CE1 3.27Å; T123-H317 HydrophobicContact CG2-CB 4.1Å; T123-H317 WeakPolarHBondContact CG2-ND1 3.38Å; T123-E319 HydrophobicContact CG2-CB 4.48Å
124A98.6Very high97.8Very high0 Ų035.5 Ų35.50%018%0.179CC..  trans-80.7129.8178.100000112.3H93 H143 T145 H317H93-A124 HydrophobicContact CB-CB 3.83Å; A124-H143 HydrophobicContact CB-CB 4.13Å; A124-H143 PolarHBondContact O-N 2.98Å; A124-T145 HydrophobicContact CB-CG2 4.28Å; A124-T145 VanDerWaalsContact CB-OG1 3.24Å; A124-T145 WeakPolarHBondContact CB-OG1 3.34Å; A124-T145 PolarHBondContact N-OG1 3.41Å; A124-H317 PolarHBondContact N-NE2 3.44Å; A124-H317 PolarHBondContact O-NE2 2.88Å; A124-H317 VanDerWaalsContact O-NE2 3.14Å
125F98.6Very high97.7Very high0 Ų041.4 Ų41.40%020%0.202CC..BIsolated β-bridgetrans-106.9161.4175.9-69.20.7000110.8N90 T91 P127 P133 Y140 Y142 H143 W314N90-F125 HydrophobicContact CB-CB 4Å; N90-F125 HydrophobicContact CB-CD1 4.1Å; N90-F125 HydrophobicContact CB-CD2 3.74Å; N90-F125 HydrophobicContact CB-CE1 4.5Å; N90-F125 HydrophobicContact CB-CE2 4.2Å; N90-F125 HydrophobicContact CB-CG 3.68Å; N90-F125 WeakPolarHBondContact ND2-CZ 3.01Å; N90-F125 PolarHBondContact O-N 3.46Å; T91-F125 HydrophobicContact CG2-CB 3.74Å; F125-P127 WeakPolarHBondContact O-CD 3.29Å; F125-P133 HydrophobicContact CB-CG 4.02Å; F125-Y140 HydrophobicContact CE2-CD1 4.47Å; F125-Y142 AromaticContact CD1-CD1 3.61Å; F125-Y142 HydrophobicContact CD1-CD1 3.61Å; F125-Y142 HydrophobicContact CD1-CE1 4.04Å; F125-Y142 AromaticContact CE1-CD1 3.66Å; F125-Y142 HydrophobicContact CE1-CD1 3.66Å; F125-Y142 AromaticContact CE1-CE1 3.6Å; F125-Y142 HydrophobicContact CE1-CE1 3.6Å; F125-Y142 HydrophobicContact CZ-CE1 4.22Å; F125-H143 WeakPolarHBondContact O-CB 3.47Å; F125-W314 HydrophobicContact CE2-CD2 4.43Å; F125-W314 AromaticContact CE2-CE2 3.82Å; F125-W314 AromaticContact CE2-CZ2 3.92Å; F125-W314 HydrophobicContact CE2-CZ2 3.92Å; F125-W314 AromaticContact CE2-NE1 3.86Å; F125-W314 AromaticContact CZ-CD1 3.75Å; F125-W314 AromaticContact CZ-CD2 3.67Å; F125-W314 HydrophobicContact CZ-CD2 3.67Å; F125-W314 AromaticContact CZ-CE2 3.48Å; F125-W314 VanDerWaalsContact CZ-CE2 3.48Å; F125-W314 HydrophobicContact CZ-CE3 4.25Å; F125-W314 AromaticContact CZ-CG 3.89Å; F125-W314 HydrophobicContact CZ-CG 3.89Å; F125-W314 AromaticContact CZ-CZ2 3.98Å; F125-W314 HydrophobicContact CZ-CZ2 3.98Å; F125-W314 AromaticContact CZ-NE1 3.51Å
126K98.4Very high97.5Very high110 Ų11050.6 Ų50.648%0.47825%0.245SC..  trans-51.2123.4176.4-179.8-175.4168.8-163.60110.1T91 P133 I141T91-K126 WeakPolarHBondContact CG2-O 3.48Å; K126-P133 HydrophobicContact CB-CB 4.28Å; K126-P133 HydrophobicContact CB-CG 4.06Å; K126-I141 HydrophobicContact CB-CB 4Å; K126-I141 HydrophobicContact CB-CG2 3.77Å; K126-I141 HydrophobicContact CD-CB 4.36Å; K126-I141 HydrophobicContact CD-CD1 4.26Å; K126-I141 HydrophobicContact CD-CG2 3.86Å; K126-I141 HydrophobicContact CG-CG2 4.32Å; K126-I141 PolarHBondContact N-O 3.14Å
127P97.9Very high97.3Very high42 Ų4255.2 Ų55.227%0.27327%0.269SS..  trans-60.4142.4175.9-25.335.2000112.5T91 P94 L97 F125 H143T91-P127 WeakPolarHBondContact O-CA 3.36Å; P94-P127 HydrophobicContact CG-CB 4.47Å; P94-P127 HydrophobicContact CG-CG 3.5Å; P94-P127 VanDerWaalsContact CG-CG 3.5Å; L97-P127 HydrophobicContact CD1-CB 3.79Å; L97-P127 HydrophobicContact CD1-CG 4.31Å; F125-P127 WeakPolarHBondContact O-CD 3.29Å; P127-H143 VanDerWaalsContact CD-CD2 3.5Å; P127-H143 WeakPolarHBondContact CD-CD2 3.17Å
128G94.6Very high97.1Very high40 Ų4057 Ų5741%0.41229%0.289SS..SBendtrans158.8-176.2179.200000113E130G128-E130 VanDerWaalsContact C-N 3.32Å
129D92.1Very high96.9Very high159 Ų15964.3 Ų64.385%0.8532%0.316SS*.SBendtrans-74.4-22.9-179.9-68-35000113.1
130E95.9Very high96.8Very high131 Ų13166.2 Ų66.261%0.61232%0.324SS*.  trans-82118.1175.7-67.3-178.1-175.200110.7T91 G128 Y132T91-E130 WeakPolarHBondContact CG2-O 3.16Å; G128-E130 VanDerWaalsContact C-N 3.32Å; E130-Y132 VanDerWaalsContact C-N 3.28Å; E130-Y132 PolarHBondContact O-N 2.86Å
131F96.6Very high96.8Very high18 Ų1866.6 Ų66.68%0.07933%0.326CS..SBendtrans-70.7-23177.8-63.2-56.8000113.8L56 V57 F59 W89 F92 P133L56-F131 HydrophobicContact CD2-CE1 3.72Å; L56-F131 HydrophobicContact CD2-CZ 3.97Å; L56-F131 HydrophobicContact CG-CE1 4.13Å; L56-F131 HydrophobicContact CG-CZ 3.94Å; V57-F131 HydrophobicContact CG1-CB 4.07Å; V57-F131 HydrophobicContact CG1-CD1 3.73Å; V57-F131 HydrophobicContact CG1-CD2 4.04Å; V57-F131 HydrophobicContact CG1-CE1 4.1Å; V57-F131 HydrophobicContact CG1-CE2 4.37Å; V57-F131 HydrophobicContact CG1-CG 3.69Å; V57-F131 HydrophobicContact CG1-CZ 4.4Å; F59-F131 HydrophobicContact CE1-CD2 4.09Å; F59-F131 AromaticContact CE1-CE2 3.61Å; F59-F131 HydrophobicContact CE1-CE2 3.61Å; F59-F131 HydrophobicContact CE2-CD2 4.46Å; F59-F131 AromaticContact CZ-CD2 3.59Å; F59-F131 HydrophobicContact CZ-CD2 3.59Å; F59-F131 AromaticContact CZ-CE2 3.58Å; F59-F131 HydrophobicContact CZ-CE2 3.58Å; W89-F131 AromaticContact CD1-CD1 3.65Å; W89-F131 HydrophobicContact CG-CD1 4.36Å; W89-F131 PolarHBondContact NE1-O 3.48Å; F92-F131 HydrophobicContact CE2-CD1 4.09Å; F92-F131 AromaticContact CE2-CE1 3.72Å; F92-F131 HydrophobicContact CE2-CE1 3.72Å; F92-F131 HydrophobicContact CZ-CE1 4.1Å; F131-P133 VanDerWaalsContact C-CD 3.47Å; F131-P133 WeakPolarHBondContact O-CD 3.2Å
132Y96.9Very high96.8Very high106 Ų10668.8 Ų68.842%0.41633%0.334SS..SBendtrans-126.165.1-178.7-57.8-77000110W89 E130 K134 W314W89-Y132 AromaticContact CH2-CE1 3.74Å; W89-Y132 HydrophobicContact CH2-CE1 3.74Å; W89-Y132 AromaticContact CZ2-CD1 3.91Å; W89-Y132 HydrophobicContact CZ2-CD1 3.91Å; W89-Y132 AromaticContact CZ2-CE1 3.27Å; W89-Y132 HydrophobicContact CZ2-CE1 3.27Å; W89-Y132 AromaticContact CZ2-CZ 3.75Å; E130-Y132 VanDerWaalsContact C-N 3.28Å; E130-Y132 PolarHBondContact O-N 2.86Å; Y132-K134 PolarHBondContact O-N 3.02Å; Y132-W314 HydrophobicContact CD1-CZ2 4.03Å; Y132-W314 HydrophobicContact CE1-CH2 4.27Å; Y132-W314 AromaticContact CE1-CZ2 3.94Å; Y132-W314 HydrophobicContact CE1-CZ2 3.94Å
133P98Very high96.7Very high6 Ų672.7 Ų72.74%0.03935%0.352CS..  trans-64.8132.7-172.728.8-35.5000110.4T91 F125 K126 F131 Y140 I141T91-P133 HydrophobicContact CG2-CG 4.35Å; F125-P133 HydrophobicContact CB-CG 4.02Å; K126-P133 HydrophobicContact CB-CB 4.28Å; K126-P133 HydrophobicContact CB-CG 4.06Å; F131-P133 VanDerWaalsContact C-CD 3.47Å; F131-P133 WeakPolarHBondContact O-CD 3.2Å; P133-Y140 WeakPolarHBondContact O-CA 3.27Å; P133-I141 HydrophobicContact CB-CB 4.24Å; P133-I141 HydrophobicContact CB-CG1 4.49Å; P133-I141 HydrophobicContact CG-CB 4.47Å; P133-I141 PolarHBondContact O-N 3.33Å
134K97.8Very high96.6Very high96 Ų9680.9 Ų80.942%0.41739%0.391SS..BIsolated β-bridgetrans-134.8148.4-178.9-70.5176.8-179.6-176.60111.6Y132 R139 Y140Y132-K134 PolarHBondContact O-N 3.02Å; K134-R139 CarbonylContact C-O 3.52Å; K134-R139 WeakPolarHBondContact CA-O 3.18Å; K134-Y140 HydrophobicContact CD-CE1 4.35Å; K134-Y140 WeakPolarHBondContact CE-OH 3.45Å; K134-Y140 HydrophobicContact CG-CD1 3.98Å; K134-Y140 HydrophobicContact CG-CE1 4.2Å; K134-Y140 HydrophobicContact CG-CG 4.4Å; K134-Y140 PolarHBondContact NZ-OH 2.82Å
135Y96.1Very high96.4Very high124 Ų12482.4 Ų82.449%0.48640%0.4SS..  trans-70.4167.6162.5-64-71.3000110.3D137 G138 R139 I141Y135-D137 WeakPolarHBondContact CB-OD1 3.24Å; Y135-D137 PolarHBondContact O-N 3.32Å; Y135-G138 PolarHBondContact O-N 3.48Å; Y135-R139 HydrophobicContact CD2-CB 4.1Å; Y135-R139 PolarHBondContact N-O 3.45Å; Y135-I141 HydrophobicContact CD1-CD1 3.95Å; Y135-I141 HydrophobicContact CD1-CG1 4.09Å; Y135-I141 HydrophobicContact CD2-CG1 3.78Å; Y135-I141 HydrophobicContact CE1-CD1 3.99Å; Y135-I141 HydrophobicContact CE1-CG1 4.06Å; Y135-I141 HydrophobicContact CE1-CG2 4.45Å; Y135-I141 HydrophobicContact CE2-CB 4.3Å; Y135-I141 HydrophobicContact CE2-CG1 3.75Å; Y135-I141 HydrophobicContact CE2-CG2 4.24Å; Y135-I141 HydrophobicContact CG-CD1 4.22Å; Y135-I141 HydrophobicContact CG-CG1 3.96Å
136E95.9Very high96.4Very high210 Ų21086.7 Ų86.798%0.98142%0.423SS*.THydrogen-bonded Turntrans-58.7-29.6176.6-65-176.8169.800113G138E136-G138 PolarHBondContact O-N 3.25Å
137D94.9Very high96.4Very high97 Ų9781.6 Ų81.652%0.51940%0.401SS..THydrogen-bonded Turntrans-77.60.2176.768.414.6000114Y135 R139Y135-D137 WeakPolarHBondContact CB-OD1 3.24Å; Y135-D137 PolarHBondContact O-N 3.32Å; D137-R139 VanDerWaalsContact OD1-CB 3.29Å; D137-R139 WeakPolarHBondContact OD1-CB 3.49Å; D137-R139 WeakPolarHBondContact OD1-CG 3.41Å; D137-R139 PolarHBondContact OD1-N 3.06Å; D137-R139 IonicContact OD1-NE 2.99Å; D137-R139 PolarHBondContact OD1-NE 3.01Å; D137-R139 IonicContact OD2-CZ 2.82Å; D137-R139 IonicContact OD2-NE 3.77Å; D137-R139 PolarHBondContact OD2-NE 2.66Å; D137-R139 IonicContact OD2-NH2 2.76Å; D137-R139 PolarHBondContact OD2-NH2 2.93Å
138G94Very high96.4Very high40 Ų4080.7 Ų80.741%0.41240%0.395SS..SBendtrans87.2-4.9177.300000115.4Y135 E136Y135-G138 PolarHBondContact O-N 3.48Å; E136-G138 PolarHBondContact O-N 3.25Å
139R94.6Very high96.6Very high153 Ų15379.8 Ų79.858%0.57738%0.384SS*.  trans-67.6141.4173.3-69.3-175.4-67.6162.1-2.2110.9K134 Y135 D137K134-R139 CarbonylContact C-O 3.52Å; K134-R139 WeakPolarHBondContact CA-O 3.18Å; Y135-R139 HydrophobicContact CD2-CB 4.1Å; Y135-R139 PolarHBondContact N-O 3.45Å; D137-R139 VanDerWaalsContact OD1-CB 3.29Å; D137-R139 WeakPolarHBondContact OD1-CB 3.49Å; D137-R139 WeakPolarHBondContact OD1-CG 3.41Å; D137-R139 PolarHBondContact OD1-N 3.06Å; D137-R139 IonicContact OD1-NE 2.99Å; D137-R139 PolarHBondContact OD1-NE 3.01Å; D137-R139 IonicContact OD2-CZ 2.82Å; D137-R139 IonicContact OD2-NE 3.77Å; D137-R139 PolarHBondContact OD2-NE 2.66Å; D137-R139 IonicContact OD2-NH2 2.76Å; D137-R139 PolarHBondContact OD2-NH2 2.93Å
140Y97.6Very high97Very high39 Ų3972.4 Ų72.415%0.15334%0.344CS..BIsolated β-bridgetrans-69.7146.2176.3-70.6-86000111.3F125 P133 K134 Y142 M313 W314F125-Y140 HydrophobicContact CE2-CD1 4.47Å; P133-Y140 WeakPolarHBondContact O-CA 3.27Å; K134-Y140 HydrophobicContact CD-CE1 4.35Å; K134-Y140 WeakPolarHBondContact CE-OH 3.45Å; K134-Y140 HydrophobicContact CG-CD1 3.98Å; K134-Y140 HydrophobicContact CG-CE1 4.2Å; K134-Y140 HydrophobicContact CG-CG 4.4Å; K134-Y140 PolarHBondContact NZ-OH 2.82Å; Y140-Y142 HydrophobicContact CG-CE1 4.26Å; Y140-M313 WeakPolarHBondContact CD2-O 3.26Å; Y140-M313 HydrophobicContact CE2-CB 3.9Å; Y140-M313 HydrophobicContact CE2-CG 3.78Å; Y140-M313 WeakPolarHBondContact CE2-O 3.49Å; Y140-W314 AromaticContact CD1-NE1 3.58Å; Y140-W314 AromaticContact CD2-CD1 3.53Å; Y140-W314 AromaticContact CD2-NE1 3.68Å; Y140-W314 AromaticContact CE1-NE1 3.33Å; Y140-W314 VanDerWaalsContact CE1-NE1 3.33Å; Y140-W314 AromaticContact CE2-CD1 3.63Å; Y140-W314 AromaticContact CE2-NE1 3.46Å; Y140-W314 AromaticContact CG-CD1 3.8Å; Y140-W314 AromaticContact CG-NE1 3.75Å; Y140-W314 AromaticContact CZ-CD1 3.96Å; Y140-W314 AromaticContact CZ-NE1 3.28Å; Y140-W314 VanDerWaalsContact CZ-NE1 3.28Å
141I98.2Very high97.1Very high22 Ų2266.1 Ų66.111%0.11332%0.315CS..  trans-98.3106.5175.9-44.5180000108.9K126 P133 Y135K126-I141 HydrophobicContact CB-CB 4Å; K126-I141 HydrophobicContact CB-CG2 3.77Å; K126-I141 HydrophobicContact CD-CB 4.36Å; K126-I141 HydrophobicContact CD-CD1 4.26Å; K126-I141 HydrophobicContact CD-CG2 3.86Å; K126-I141 HydrophobicContact CG-CG2 4.32Å; K126-I141 PolarHBondContact N-O 3.14Å; P133-I141 HydrophobicContact CB-CB 4.24Å; P133-I141 HydrophobicContact CB-CG1 4.49Å; P133-I141 HydrophobicContact CG-CB 4.47Å; P133-I141 PolarHBondContact O-N 3.33Å; Y135-I141 HydrophobicContact CD1-CD1 3.95Å; Y135-I141 HydrophobicContact CD1-CG1 4.09Å; Y135-I141 HydrophobicContact CD2-CG1 3.78Å; Y135-I141 HydrophobicContact CE1-CD1 3.99Å; Y135-I141 HydrophobicContact CE1-CG1 4.06Å; Y135-I141 HydrophobicContact CE1-CG2 4.45Å; Y135-I141 HydrophobicContact CE2-CB 4.3Å; Y135-I141 HydrophobicContact CE2-CG1 3.75Å; Y135-I141 HydrophobicContact CE2-CG2 4.24Å; Y135-I141 HydrophobicContact CG-CD1 4.22Å; Y135-I141 HydrophobicContact CG-CG1 3.96Å
142Y98.3Very high97.2Very high52 Ų5270.2 Ų70.220%0.20433%0.334CS..BIsolated β-bridgetrans-85.8166179.1-54.7-34.5000112.4F125 Y140 W314 D316 H317F125-Y142 AromaticContact CD1-CD1 3.61Å; F125-Y142 HydrophobicContact CD1-CD1 3.61Å; F125-Y142 HydrophobicContact CD1-CE1 4.04Å; F125-Y142 AromaticContact CE1-CD1 3.66Å; F125-Y142 HydrophobicContact CE1-CD1 3.66Å; F125-Y142 AromaticContact CE1-CE1 3.6Å; F125-Y142 HydrophobicContact CE1-CE1 3.6Å; F125-Y142 HydrophobicContact CZ-CE1 4.22Å; Y140-Y142 HydrophobicContact CG-CE1 4.26Å; Y142-W314 WeakPolarHBondContact OH-CA 3.25Å; Y142-D316 PolarHBondContact OH-OD1 3.45Å; Y142-H317 AromaticContact CD1-CD2 3.49Å; Y142-H317 VanDerWaalsContact CD1-CD2 3.49Å; Y142-H317 WeakPolarHBondContact CD1-CD2 3.19Å; Y142-H317 HydrophobicContact CD2-CB 4.25Å; Y142-H317 AromaticContact CD2-CD2 3.76Å; Y142-H317 HydrophobicContact CE1-CB 4.36Å; Y142-H317 AromaticContact CE1-CD2 3.86Å; Y142-H317 HydrophobicContact CE2-CB 3.87Å; Y142-H317 AromaticContact CG-CD2 3.42Å; Y142-H317 VanDerWaalsContact CG-CD2 3.42Å
143H97.9Very high97.3Very high82 Ų8265.9 Ų65.938%0.3832%0.321SS..  trans-125.1155.2171.7-169.7-83.9000109.1A124 F125 P127 T145A124-H143 HydrophobicContact CB-CB 4.13Å; A124-H143 PolarHBondContact O-N 2.98Å; F125-H143 WeakPolarHBondContact O-CB 3.47Å; P127-H143 VanDerWaalsContact CD-CD2 3.5Å; P127-H143 WeakPolarHBondContact CD-CD2 3.17Å; H143-T145 PolarHBondContact O-N 2.96Å
144E96.4Very high97.4Very high171 Ų17165.6 Ų65.680%0.79932%0.319SS*.  trans-58133.5171.1-174.2172.6-169.200109.8
145T94.2Very high97.4Very high32 Ų3261.6 Ų61.620%0.19630%0.302CS..  trans-102.6119.1-178-54.90000110P122 A124 H143 L147 H317 E319P122-T145 WeakPolarHBondContact O-CG2 3.44Å; A124-T145 HydrophobicContact CB-CG2 4.28Å; A124-T145 VanDerWaalsContact CB-OG1 3.24Å; A124-T145 WeakPolarHBondContact CB-OG1 3.34Å; A124-T145 PolarHBondContact N-OG1 3.41Å; H143-T145 PolarHBondContact O-N 2.96Å; T145-L147 HydrophobicContact CG2-CD2 3.52Å; T145-L147 HydrophobicContact CG2-CG 3.72Å; T145-H317 PolarHBondContact OG1-CE1 3.21Å; T145-E319 HydrophobicContact CG2-CG 3.99Å
146D97.9Very high97.5Very high91 Ų9158.2 Ų58.249%0.48730%0.3SS..  trans-117.290.9163.3-173.7-17.6000109.4C148 A149 T150D146-C148 PolarHBondContact O-N 3.08Å; D146-C148 WeakPolarHBondContact OD1-CB 3.38Å; D146-C148 PolarHBondContact OD1-N 3.03Å; D146-A149 HydrophobicContact CB-CB 3.93Å; D146-A149 VanDerWaalsContact CG-CB 3.4Å; D146-A149 PolarHBondContact O-N 3.02Å; D146-A149 PolarHBondContact OD1-N 2.75Å; D146-A149 WeakPolarHBondContact OD2-CB 3.2Å; D146-T150 PolarHBondContact O-N 2.79Å; D146-T150 PolarHBondContact O-OG1 3.42Å; D146-T150 VanDerWaalsContact O-OG1 3.1Å
147L98.7Very high97.7Very high3 Ų348.3 Ų48.32%0.01625%0.253CS..Hα-helixtrans-62.2-31.7-179.1-64.2178.9000112.2P122 T145 W151 F171 Q175 L178 L179P122-L147 HydrophobicContact CB-CD1 4.17Å; P122-L147 HydrophobicContact CB-CD2 4.27Å; T145-L147 HydrophobicContact CG2-CD2 3.52Å; T145-L147 HydrophobicContact CG2-CG 3.72Å; L147-W151 VanDerWaalsContact O-CB 3.25Å; L147-W151 WeakPolarHBondContact O-CB 3.49Å; L147-W151 PolarHBondContact O-N 2.95Å; L147-F171 HydrophobicContact CD1-CE1 3.91Å; L147-F171 HydrophobicContact CD1-CZ 4.19Å; L147-F171 HydrophobicContact CD2-CE1 4.38Å; L147-F171 HydrophobicContact CD2-CZ 3.89Å; L147-Q175 HydrophobicContact CD1-CB 4.16Å; L147-Q175 HydrophobicContact CD1-CG 4.05Å; L147-L178 HydrophobicContact CB-CD2 4Å; L147-L178 HydrophobicContact CD1-CD2 4.08Å; L147-L178 HydrophobicContact CG-CD2 4.45Å; L147-L179 HydrophobicContact CB-CD2 4.17Å; L147-L179 WeakPolarHBondContact O-CD2 3.31Å
148C98.8Very high97.9Very high23 Ų2345.4 Ų45.416%0.15524%0.236CC..Hα-helixtrans-69.5-45.2178.7-75.60000110.9D146 W151 E152 K182D146-C148 PolarHBondContact O-N 3.08Å; D146-C148 WeakPolarHBondContact OD1-CB 3.38Å; D146-C148 PolarHBondContact OD1-N 3.03Å; C148-W151 WeakPolarHBondContact O-CB 3.01Å; C148-W151 PolarHBondContact O-N 3.12Å; C148-E152 WeakPolarHBondContact O-CG 3.33Å; C148-E152 PolarHBondContact O-N 3.16Å; C148-K182 HydrophobicContact CB-CD 3.96Å; C148-K182 HydrophobicContact CB-CG 4.15Å; C148-K182 WeakPolarHBondContact O-CE 3.41Å
149A98.7Very high98.1Very high21 Ų2147.3 Ų47.317%0.17424%0.237CC..Hα-helixtrans-65.7-42.3177.800000111.9P95 D146 W151 E152 A153P95-A149 HydrophobicContact CG-CB 3.78Å; D146-A149 HydrophobicContact CB-CB 3.93Å; D146-A149 VanDerWaalsContact CG-CB 3.4Å; D146-A149 PolarHBondContact O-N 3.02Å; D146-A149 PolarHBondContact OD1-N 2.75Å; D146-A149 WeakPolarHBondContact OD2-CB 3.2Å; A149-W151 VanDerWaalsContact C-N 3.26Å; A149-W151 PolarHBondContact O-N 3.43Å; A149-E152 PolarHBondContact O-N 3.5Å; A149-A153 PolarHBondContact O-N 3.4Å
150T98.9Very high98.3Very high3 Ų342.5 Ų42.52%0.01823%0.23CC..Hα-helixtrans-58.9-41.2172-55.20000110.9L88 H93 V98 I119 D146 A153 L154L88-T150 HydrophobicContact CD2-CG2 3.71Å; H93-T150 PolarHBondContact O-OG1 3.23Å; V98-T150 HydrophobicContact CG2-CG2 4.04Å; I119-T150 HydrophobicContact CD1-CG2 3.98Å; I119-T150 HydrophobicContact CG1-CG2 4.36Å; D146-T150 PolarHBondContact O-N 2.79Å; D146-T150 PolarHBondContact O-OG1 3.42Å; D146-T150 VanDerWaalsContact O-OG1 3.1Å; T150-A153 PolarHBondContact O-N 3.09Å; T150-L154 PolarHBondContact O-N 2.95Å; T150-L154 VanDerWaalsContact O-N 3.14Å
151W98.9Very high98.4Very high0 Ų042.6 Ų42.60%024%0.242CC..Hα-helixtrans-64-41.6177.6-167.4-100.2000112.6I119 L147 C148 A149 A153 L154 E155 L166 G167 V168 L179 H187 P189I119-W151 HydrophobicContact CD1-CE3 4.02Å; L147-W151 VanDerWaalsContact O-CB 3.25Å; L147-W151 WeakPolarHBondContact O-CB 3.49Å; L147-W151 PolarHBondContact O-N 2.95Å; C148-W151 WeakPolarHBondContact O-CB 3.01Å; C148-W151 PolarHBondContact O-N 3.12Å; A149-W151 VanDerWaalsContact C-N 3.26Å; A149-W151 PolarHBondContact O-N 3.43Å; W151-A153 VanDerWaalsContact C-N 3.27Å; W151-A153 PolarHBondContact O-N 3.13Å; W151-L154 HydrophobicContact CE3-CD1 3.94Å; W151-L154 HydrophobicContact CZ3-CD1 4.12Å; W151-L154 WeakPolarHBondContact O-CA 3.33Å; W151-L154 WeakPolarHBondContact O-CB 3.49Å; W151-L154 PolarHBondContact O-N 3.09Å; W151-E155 WeakPolarHBondContact O-CG 3.44Å; W151-E155 PolarHBondContact O-N 2.89Å; W151-L166 HydrophobicContact CH2-CB 3.62Å; W151-L166 HydrophobicContact CZ2-CB 3.9Å; W151-L166 HydrophobicContact CZ2-CD1 4.47Å; W151-L166 HydrophobicContact CZ3-CB 4.44Å; W151-G167 WeakPolarHBondContact CZ3-O 3.39Å; W151-V168 HydrophobicContact CE3-CG1 4.3Å; W151-V168 HydrophobicContact CH2-CG1 4.46Å; W151-V168 HydrophobicContact CZ3-CG1 3.71Å; W151-L179 HydrophobicContact CB-CD2 3.71Å; W151-L179 HydrophobicContact CD2-CD1 3.97Å; W151-L179 HydrophobicContact CD2-CD2 4.37Å; W151-L179 HydrophobicContact CE3-CD1 3.74Å; W151-L179 HydrophobicContact CG-CD1 4.42Å; W151-L179 HydrophobicContact CG-CD2 3.96Å; W151-L179 HydrophobicContact CZ3-CD1 4.21Å; W151-H187 WeakPolarHBondContact CZ2-O 3.39Å; W151-H187 PolarHBondContact NE1-O 3.12Å; W151-P189 HydrophobicContact CH2-CB 3.59Å; W151-P189 HydrophobicContact CH2-CG 4.48Å; W151-P189 HydrophobicContact CZ2-CB 3.89Å; W151-P189 HydrophobicContact CZ2-CG 4.39Å; W151-P189 HydrophobicContact CZ3-CB 4.37Å
152E98.9Very high98.4Very high103 Ų10342.8 Ų42.848%0.48124%0.244SC..Hα-helixtrans-58.1-40.3175.5-68.8-179.216900112.1C148 A149 L154 E155 A156 K182C148-E152 WeakPolarHBondContact O-CG 3.33Å; C148-E152 PolarHBondContact O-N 3.16Å; A149-E152 PolarHBondContact O-N 3.5Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.04Å; E152-E155 WeakPolarHBondContact O-CB 3.48Å; E152-E155 PolarHBondContact O-N 3.46Å; E152-A156 PolarHBondContact O-N 2.85Å; E152-K182 VanDerWaalsContact CD-CE 3.48Å; E152-K182 WeakPolarHBondContact OE1-CE 3.42Å; E152-K182 IonicContact OE1-NZ 3.9Å; E152-K182 PolarHBondContact OE1-NZ 3.41Å
153A98.9Very high98.4Very high16 Ų1640.4 Ų40.413%0.13223%0.234CC..Hα-helixtrans-67.7-33.8176.500000112.5P95 V98 A149 T150 W151 A156 C157P95-A153 HydrophobicContact CB-CB 4.04Å; P95-A153 WeakPolarHBondContact O-CB 3.46Å; V98-A153 HydrophobicContact CB-CB 3.71Å; V98-A153 HydrophobicContact CG1-CB 4.04Å; V98-A153 HydrophobicContact CG2-CB 3.75Å; A149-A153 PolarHBondContact O-N 3.4Å; T150-A153 PolarHBondContact O-N 3.09Å; W151-A153 VanDerWaalsContact C-N 3.27Å; W151-A153 PolarHBondContact O-N 3.13Å; A153-A156 PolarHBondContact O-N 2.88Å; A153-C157 PolarHBondContact O-N 3.06Å; A153-C157 VanDerWaalsContact O-N 3.17Å; A153-C157 PolarHBondContact O-SG 3.43Å
154L98.9Very high98.5Very high0 Ų040.7 Ų40.70%024%0.235CC..Hα-helixtrans-67.6-40.8171-74.4173.2000112V98 Y117 I119 T150 W151 E152 A156 C157 K158 L166V98-L154 HydrophobicContact CG1-CD2 3.54Å; V98-L154 HydrophobicContact CG1-CG 3.78Å; Y117-L154 HydrophobicContact CD1-CD2 3.6Å; Y117-L154 HydrophobicContact CE1-CD2 4.1Å; I119-L154 HydrophobicContact CD1-CD1 3.93Å; I119-L154 HydrophobicContact CG1-CD1 3.44Å; I119-L154 VanDerWaalsContact CG1-CD1 3.44Å; T150-L154 PolarHBondContact O-N 2.95Å; T150-L154 VanDerWaalsContact O-N 3.14Å; W151-L154 HydrophobicContact CE3-CD1 3.94Å; W151-L154 HydrophobicContact CZ3-CD1 4.12Å; W151-L154 WeakPolarHBondContact O-CA 3.33Å; W151-L154 WeakPolarHBondContact O-CB 3.49Å; W151-L154 PolarHBondContact O-N 3.09Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.04Å; L154-A156 VanDerWaalsContact C-N 3.26Å; L154-A156 PolarHBondContact O-N 3.35Å; L154-C157 WeakPolarHBondContact O-CB 3.09Å; L154-C157 PolarHBondContact O-N 3.27Å; L154-K158 PolarHBondContact O-N 3.31Å; L154-K158 VanDerWaalsContact O-N 3.08Å; L154-L166 HydrophobicContact CB-CD1 4.11Å; L154-L166 HydrophobicContact CB-CD2 4.06Å; L154-L166 HydrophobicContact CD2-CD2 4.41Å; L154-L166 WeakPolarHBondContact O-CD1 3.4Å
155E98.9Very high98.6Very high11 Ų1132.5 Ų32.55%0.05120%0.197CC..Hα-helixtrans-55.5-44.4173.9-69.7-178.8133.900110.8W151 E152 C157 K158 D159 L166 K182 L185 K186 H187W151-E155 WeakPolarHBondContact O-CG 3.44Å; W151-E155 PolarHBondContact O-N 2.89Å; E152-E155 WeakPolarHBondContact O-CB 3.48Å; E152-E155 PolarHBondContact O-N 3.46Å; E155-C157 VanDerWaalsContact C-N 3.33Å; E155-C157 PolarHBondContact O-N 2.83Å; E155-K158 PolarHBondContact O-N 3.24Å; E155-D159 VanDerWaalsContact O-CG 3.28Å; E155-D159 PolarHBondContact O-N 2.8Å; E155-L166 HydrophobicContact CG-CD1 4.37Å; E155-K182 IonicContact OE2-NZ 3.67Å; E155-L185 WeakPolarHBondContact OE1-CD1 3.42Å; E155-K186 WeakPolarHBondContact OE1-CA 3.4Å; E155-K186 WeakPolarHBondContact OE1-CB 3.45Å; E155-K186 PolarHBondContact OE1-N 3.37Å; E155-H187 HydrophobicContact CG-CB 4.16Å; E155-H187 PolarHBondContact OE1-N 3.29Å
156A98.9Very high98.8Very high54 Ų5431 Ų3145%0.44619%0.187SC..Hα-helixtrans-63.9-33.7175.200000113.3E152 A153 L154 D159 A160E152-A156 PolarHBondContact O-N 2.85Å; A153-A156 PolarHBondContact O-N 2.88Å; L154-A156 VanDerWaalsContact C-N 3.26Å; L154-A156 PolarHBondContact O-N 3.35Å; A156-D159 PolarHBondContact O-N 2.76Å; A156-A160 WeakPolarHBondContact O-CB 3.35Å; A156-A160 PolarHBondContact O-N 3.1Å
157C98.9Very high98.9Very high1 Ų126.7 Ų26.71%0.00716%0.164CC..Hα-helixtrans-65.6-39.1174.3-67.30000112.1L102 A153 L154 E155 A160 G161 L162 V163L102-C157 HydrophobicContact CD2-CB 3.74Å; A153-C157 PolarHBondContact O-N 3.06Å; A153-C157 VanDerWaalsContact O-N 3.17Å; A153-C157 PolarHBondContact O-SG 3.43Å; L154-C157 WeakPolarHBondContact O-CB 3.09Å; L154-C157 PolarHBondContact O-N 3.27Å; E155-C157 VanDerWaalsContact C-N 3.33Å; E155-C157 PolarHBondContact O-N 2.83Å; C157-A160 PolarHBondContact O-N 2.74Å; C157-G161 PolarHBondContact O-N 2.92Å; C157-L162 PolarHBondContact O-N 3.17Å; C157-L162 VanDerWaalsContact O-N 3.14Å; C157-V163 HydrophobicContact CB-CG1 4.04Å
158K98.9Very high98.9Very high36 Ų3626.6 Ų26.616%0.15716%0.163CC..Hα-helixtrans-66.7-43.5173.9178.9164.4172.51730111.4D14 L154 E155 A160 G161 V163 K164 L166 H187D14-K158 IonicContact OD2-NZ 2.75Å; D14-K158 PolarHBondContact OD2-NZ 3.16Å; L154-K158 PolarHBondContact O-N 3.31Å; L154-K158 VanDerWaalsContact O-N 3.08Å; E155-K158 PolarHBondContact O-N 3.24Å; K158-A160 PolarHBondContact O-N 3.4Å; K158-G161 PolarHBondContact O-N 3.26Å; K158-V163 HydrophobicContact CB-CG1 4.01Å; K158-K164 WeakPolarHBondContact CE-O 3.46Å; K158-K164 PolarHBondContact NZ-O 3.41Å; K158-L166 HydrophobicContact CB-CD1 3.9Å; K158-L166 HydrophobicContact CB-CD2 4.46Å; K158-L166 HydrophobicContact CB-CG 4.12Å; K158-L166 HydrophobicContact CD-CD1 4.19Å; K158-L166 HydrophobicContact CD-CG 4.08Å; K158-H187 HydrophobicContact CD-CB 4.35Å; K158-H187 WeakPolarHBondContact CE-ND1 3.17Å
159D98.9Very high98.9Very high81 Ų8125.6 Ų25.643%0.43316%0.157SC..Hα-helixtrans-60.6-34.7176.1-67.6-27.5000112.8E155 A156 G161 K186 H187E155-D159 VanDerWaalsContact O-CG 3.28Å; E155-D159 PolarHBondContact O-N 2.8Å; A156-D159 PolarHBondContact O-N 2.76Å; D159-G161 PolarHBondContact O-N 3.48Å; D159-K186 WeakPolarHBondContact OD1-CE 3.37Å; D159-K186 IonicContact OD1-NZ 2.85Å; D159-K186 PolarHBondContact OD1-NZ 2.57Å; D159-K186 WeakPolarHBondContact OD2-CE 3.11Å; D159-K186 IonicContact OD2-NZ 3.71Å; D159-K186 PolarHBondContact OD2-NZ 2.75Å; D159-H187 IonicContact OD1-CD2 2.86Å; D159-H187 IonicContact OD1-CE1 3.34Å; D159-H187 IonicContact OD1-NE2 2.75Å; D159-H187 PolarHBondContact OD1-NE2 2.88Å
160A98.8Very high98.9Very high52 Ų5225 Ų2543%0.4315%0.151SC..THydrogen-bonded Turntrans-75.8-3.5175.200000113.9A156 C157 K158 L162A156-A160 WeakPolarHBondContact O-CB 3.35Å; A156-A160 PolarHBondContact O-N 3.1Å; C157-A160 PolarHBondContact O-N 2.74Å; K158-A160 PolarHBondContact O-N 3.4Å; A160-L162 VanDerWaalsContact C-N 3.31Å; A160-L162 HydrophobicContact CB-CD1 4.41Å; A160-L162 HydrophobicContact CB-CG 4.15Å; A160-L162 PolarHBondContact O-N 3.33Å
161G98.8Very high98.9Very high40 Ų4025 Ų2541%0.41215%0.151SC..THydrogen-bonded Turntrans77.98.3179.200000115.3C157 K158 D159 V163C157-G161 PolarHBondContact O-N 2.92Å; K158-G161 PolarHBondContact O-N 3.26Å; D159-G161 PolarHBondContact O-N 3.48Å; G161-V163 VanDerWaalsContact C-N 3.28Å; G161-V163 PolarHBondContact O-N 2.88Å
162L98.9Very high98.9Very high26 Ų2625.2 Ų25.214%0.13615%0.152CC..SBendtrans-75.1-20-179.5-59180000112.8R99 L102 E103 L106 Y113 V114 C157 A160R99-L162 HydrophobicContact CG-CD1 4.17Å; L102-L162 HydrophobicContact CD2-CB 3.63Å; L102-L162 HydrophobicContact CD2-CD1 4.36Å; L102-L162 HydrophobicContact CG-CB 4.41Å; E103-L162 HydrophobicContact CG-CD1 4.2Å; L106-L162 HydrophobicContact CD1-CB 4.1Å; L106-L162 HydrophobicContact CD1-CD2 3.93Å; L106-L162 HydrophobicContact CD1-CG 4.48Å; Y113-L162 VanDerWaalsContact CA-O 3.23Å; Y113-L162 WeakPolarHBondContact CA-O 3.41Å; Y113-L162 WeakPolarHBondContact CB-O 3.38Å; V114-L162 PolarHBondContact N-O 3.4Å; V114-L162 VanDerWaalsContact N-O 3.12Å; C157-L162 PolarHBondContact O-N 3.17Å; C157-L162 VanDerWaalsContact O-N 3.14Å; A160-L162 VanDerWaalsContact C-N 3.31Å; A160-L162 HydrophobicContact CB-CD1 4.41Å; A160-L162 HydrophobicContact CB-CG 4.15Å; A160-L162 PolarHBondContact O-N 3.33Å
163V98.9Very high98.9Very high2 Ų224.4 Ų24.41%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-144.3141.5178.954.20000110.6L102 V114 C157 K158 G161 S165 L166L102-V163 HydrophobicContact CD2-CB 4.29Å; L102-V163 HydrophobicContact CD2-CG1 4.19Å; V114-V163 HydrophobicContact CG2-CB 3.9Å; V114-V163 HydrophobicContact CG2-CG2 3.83Å; V114-V163 VanDerWaalsContact O-CA 3.27Å; V114-V163 WeakPolarHBondContact O-CA 3.3Å; C157-V163 HydrophobicContact CB-CG1 4.04Å; K158-V163 HydrophobicContact CB-CG1 4.01Å; G161-V163 VanDerWaalsContact C-N 3.28Å; G161-V163 PolarHBondContact O-N 2.88Å; V163-S165 WeakPolarHBondContact CG2-O 3.27Å; V163-L166 HydrophobicContact CG1-CD2 3.68Å; V163-L166 HydrophobicContact CG2-CD2 4.16Å
164K98.9Very high98.9Very high88 Ų8828.7 Ų28.738%0.38316%0.157SC..EExtended strand (participates in β ladder)trans-82.3-44.5179.4-57.7-63-175.6-176.20113N16 Y113 V114 D115 K158N16-K164 PolarHBondContact ND2-O 3.47Å; Y113-K164 HydrophobicContact CD2-CD 4.14Å; Y113-K164 HydrophobicContact CD2-CG 3.65Å; Y113-K164 HydrophobicContact CE2-CD 4.24Å; Y113-K164 VanDerWaalsContact CE2-CE 3.47Å; Y113-K164 HydrophobicContact CE2-CG 3.71Å; V114-K164 PolarHBondContact O-N 2.93Å; D115-K164 WeakPolarHBondContact O-CB 3.23Å; K158-K164 WeakPolarHBondContact CE-O 3.46Å; K158-K164 PolarHBondContact NZ-O 3.41Å
165S99Very high98.9Very high0 Ų028.7 Ų28.70%016%0.157CC..EExtended strand (participates in β ladder)trans-129.8147.8-176.1-57.50000111.8D14 N16 D115 L116 Y117 V163D14-S165 PolarHBondContact OD2-OG 2.79Å; N16-S165 PolarHBondContact ND2-OG 3.31Å; D115-S165 VanDerWaalsContact O-CB 3.29Å; D115-S165 WeakPolarHBondContact O-CB 3.44Å; D115-S165 PolarHBondContact O-N 3.25Å; D115-S165 PolarHBondContact O-OG 3.36Å; L116-S165 WeakPolarHBondContact CA-O 3.4Å; L116-S165 WeakPolarHBondContact CD1-O 3.39Å; Y117-S165 PolarHBondContact N-O 3.15Å; Y117-S165 VanDerWaalsContact N-O 3.13Å; V163-S165 WeakPolarHBondContact CG2-O 3.27Å
166L99Very high98.9Very high1 Ų128.2 Ų28.21%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-116.7139.7178-63.1175.5000110.9W151 L154 E155 K158 V163 H187 P189 V190W151-L166 HydrophobicContact CH2-CB 3.62Å; W151-L166 HydrophobicContact CZ2-CB 3.9Å; W151-L166 HydrophobicContact CZ2-CD1 4.47Å; W151-L166 HydrophobicContact CZ3-CB 4.44Å; L154-L166 HydrophobicContact CB-CD1 4.11Å; L154-L166 HydrophobicContact CB-CD2 4.06Å; L154-L166 HydrophobicContact CD2-CD2 4.41Å; L154-L166 WeakPolarHBondContact O-CD1 3.4Å; E155-L166 HydrophobicContact CG-CD1 4.37Å; K158-L166 HydrophobicContact CB-CD1 3.9Å; K158-L166 HydrophobicContact CB-CD2 4.46Å; K158-L166 HydrophobicContact CB-CG 4.12Å; K158-L166 HydrophobicContact CD-CD1 4.19Å; K158-L166 HydrophobicContact CD-CG 4.08Å; V163-L166 HydrophobicContact CG1-CD2 3.68Å; V163-L166 HydrophobicContact CG2-CD2 4.16Å; L166-H187 HydrophobicContact CD1-CB 4.13Å; L166-P189 WeakPolarHBondContact O-CA 3.37Å; L166-V190 WeakPolarHBondContact O-CG2 3.27Å; L166-V190 PolarHBondContact O-N 3.05Å
167G98.9Very high98.9Very high0 Ų027.1 Ų27.10%014%0.14CC..EExtended strand (participates in β ladder)trans-149.5-169.5177.600000112.5Y117 I118 I119 W151 S191Y117-G167 PolarHBondContact O-N 2.87Å; Y117-G167 VanDerWaalsContact O-N 3.15Å; I118-G167 WeakPolarHBondContact CA-O 3.3Å; I118-G167 WeakPolarHBondContact CB-O 3.41Å; I118-G167 VanDerWaalsContact CG2-C 3.47Å; I119-G167 PolarHBondContact N-O 2.92Å; W151-G167 WeakPolarHBondContact CZ3-O 3.39Å; G167-S191 WeakPolarHBondContact CA-O 3.3Å
168V99Very high98.8Very high0 Ų030.4 Ų30.40%016%0.157CC..EExtended strand (participates in β ladder)trans-135.3168.3178.8-64.40000110.4I119 W151 F171 L176 L179 S191 N192 Q193I119-V168 HydrophobicContact CB-CG1 4.44Å; I119-V168 HydrophobicContact CD1-CG1 4.47Å; I119-V168 CarbonylContact O-C 3.54Å; W151-V168 HydrophobicContact CE3-CG1 4.3Å; W151-V168 HydrophobicContact CH2-CG1 4.46Å; W151-V168 HydrophobicContact CZ3-CG1 3.71Å; V168-F171 HydrophobicContact CB-CB 4.32Å; V168-F171 HydrophobicContact CB-CD1 3.95Å; V168-F171 HydrophobicContact CB-CD2 3.67Å; V168-F171 HydrophobicContact CB-CE1 4.14Å; V168-F171 HydrophobicContact CB-CE2 3.83Å; V168-F171 HydrophobicContact CB-CG 3.71Å; V168-F171 HydrophobicContact CB-CZ 4.07Å; V168-F171 HydrophobicContact CG1-CD1 3.92Å; V168-F171 HydrophobicContact CG1-CD2 4.28Å; V168-F171 HydrophobicContact CG1-CE1 3.71Å; V168-F171 HydrophobicContact CG1-CE2 4.05Å; V168-F171 HydrophobicContact CG1-CG 4.2Å; V168-F171 HydrophobicContact CG1-CZ 3.76Å; V168-F171 HydrophobicContact CG2-CB 3.82Å; V168-F171 HydrophobicContact CG2-CD1 3.98Å; V168-F171 HydrophobicContact CG2-CD2 4.15Å; V168-F171 HydrophobicContact CG2-CG 3.72Å; V168-L176 HydrophobicContact CG2-CD2 3.65Å; V168-L179 HydrophobicContact CG1-CD1 3.77Å; V168-S191 PolarHBondContact N-O 2.79Å; V168-N192 HydrophobicContact CG2-CB 4.02Å; V168-N192 CarbonylContact O-C 3.53Å; V168-N192 VanDerWaalsContact O-CA 3.27Å; V168-N192 WeakPolarHBondContact O-CA 2.98Å; V168-Q193 PolarHBondContact O-N 3Å
169S98.9Very high98.8Very high2 Ų228.7 Ų28.71%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-141142.4173.9-173.10000110.3I119 E120 F171 Q193I119-S169 WeakPolarHBondContact O-CB 3.02Å; I119-S169 PolarHBondContact O-N 3.36Å; E120-S169 VanDerWaalsContact O-CB 3.29Å; E120-S169 WeakPolarHBondContact O-CB 3.25Å; S169-F171 VanDerWaalsContact O-CD2 3.22Å; S169-F171 WeakPolarHBondContact O-CD2 3.39Å; S169-F171 PolarHBondContact O-N 3.33Å; S169-Q193 CarbonylContact C-O 3.5Å; S169-Q193 WeakPolarHBondContact CA-O 3.41Å; S169-Q193 WeakPolarHBondContact CB-O 3.37Å; S169-Q193 PolarHBondContact OG-O 3.45Å
170N98.8Very high98.8Very high10 Ų1025.9 Ų25.95%0.05314%0.135CC..SBendtrans61.822.8-176.9-59.5-75.1000114E120 M121 Q193 Y219 P321 F322E120-N170 PolarHBondContact O-ND2 2.96Å; M121-N170 HydrophobicContact CE-CB 3.88Å; M121-N170 HydrophobicContact SD-CB 3.51Å; M121-N170 VanDerWaalsContact SD-CB 3.51Å; M121-N170 PolarHBondContact SD-ND2 2.84Å; N170-Q193 PolarHBondContact N-O 3.39Å; N170-Y219 WeakPolarHBondContact OD1-CE1 3.31Å; N170-Y219 PolarHBondContact OD1-OH 3.01Å; N170-P321 HydrophobicContact CB-CG 4.3Å; N170-P321 WeakPolarHBondContact O-CB 3.4Å; N170-P321 WeakPolarHBondContact O-CG 3.43Å; N170-F322 HydrophobicContact CB-CE1 4.46Å; N170-F322 HydrophobicContact CB-CZ 4.31Å
171F98.9Very high98.8Very high2 Ų231.9 Ų31.91%0.00915%0.146CC..  trans-85.5134.1177-83-136.7000110.2I119 P122 L147 V168 S169 Q175 L176 L179 N192I119-F171 HydrophobicContact CB-CE2 4.04Å; I119-F171 HydrophobicContact CB-CZ 4.1Å; I119-F171 HydrophobicContact CD1-CZ 3.97Å; I119-F171 HydrophobicContact CG2-CE2 3.8Å; I119-F171 HydrophobicContact CG2-CZ 3.95Å; P122-F171 HydrophobicContact CB-CD2 3.87Å; P122-F171 HydrophobicContact CB-CE2 3.63Å; P122-F171 HydrophobicContact CB-CG 4.49Å; P122-F171 HydrophobicContact CB-CZ 4.02Å; P122-F171 HydrophobicContact CG-CD2 4.13Å; P122-F171 HydrophobicContact CG-CE2 4.29Å; L147-F171 HydrophobicContact CD1-CE1 3.91Å; L147-F171 HydrophobicContact CD1-CZ 4.19Å; L147-F171 HydrophobicContact CD2-CE1 4.38Å; L147-F171 HydrophobicContact CD2-CZ 3.89Å; V168-F171 HydrophobicContact CB-CB 4.32Å; V168-F171 HydrophobicContact CB-CD1 3.95Å; V168-F171 HydrophobicContact CB-CD2 3.67Å; V168-F171 HydrophobicContact CB-CE1 4.14Å; V168-F171 HydrophobicContact CB-CE2 3.83Å; V168-F171 HydrophobicContact CB-CG 3.71Å; V168-F171 HydrophobicContact CB-CZ 4.07Å; V168-F171 HydrophobicContact CG1-CD1 3.92Å; V168-F171 HydrophobicContact CG1-CD2 4.28Å; V168-F171 HydrophobicContact CG1-CE1 3.71Å; V168-F171 HydrophobicContact CG1-CE2 4.05Å; V168-F171 HydrophobicContact CG1-CG 4.2Å; V168-F171 HydrophobicContact CG1-CZ 3.76Å; V168-F171 HydrophobicContact CG2-CB 3.82Å; V168-F171 HydrophobicContact CG2-CD1 3.98Å; V168-F171 HydrophobicContact CG2-CD2 4.15Å; V168-F171 HydrophobicContact CG2-CG 3.72Å; S169-F171 VanDerWaalsContact O-CD2 3.22Å; S169-F171 WeakPolarHBondContact O-CD2 3.39Å; S169-F171 PolarHBondContact O-N 3.33Å; F171-Q175 HydrophobicContact CB-CB 4.2Å; F171-Q175 HydrophobicContact CD1-CB 3.55Å; F171-Q175 HydrophobicContact CE1-CB 4.17Å; F171-Q175 HydrophobicContact CG-CB 4.03Å; F171-L176 HydrophobicContact CB-CD2 4.13Å; F171-L176 HydrophobicContact CB-CG 4.09Å; F171-L179 HydrophobicContact CD1-CD1 4.29Å; F171-L179 HydrophobicContact CE1-CD1 3.72Å; F171-L179 HydrophobicContact CE1-CG 4.32Å; F171-N192 PolarHBondContact N-OD1 3.39Å; F171-N192 PolarHBondContact O-ND2 3.35Å
172N98.8Very high98.8Very high4 Ų430.6 Ų30.62%0.02113%0.129CC..  trans-84.7178.9168.874.122.2000111.6R174 Q175 L176 P321 D324 Y326N172-R174 PolarHBondContact O-N 2.73Å; N172-R174 WeakPolarHBondContact OD1-CB 3.46Å; N172-R174 PolarHBondContact OD1-N 3.21Å; N172-Q175 PolarHBondContact O-N 3.27Å; N172-Q175 WeakPolarHBondContact OD1-CG 3.35Å; N172-Q175 PolarHBondContact OD1-N 2.83Å; N172-Q175 PolarHBondContact OD1-OE1 2.86Å; N172-L176 WeakPolarHBondContact O-CG 3.43Å; N172-L176 PolarHBondContact O-N 3.06Å; N172-P321 WeakPolarHBondContact CB-O 3.38Å; N172-P321 PolarHBondContact ND2-O 2.97Å; N172-P321 VanDerWaalsContact ND2-O 3.16Å; N172-D324 PolarHBondContact ND2-OD2 3.36Å; N172-Y326 WeakPolarHBondContact CA-OXT 3.29Å
173R98.7Very high98.7Very high87 Ų8734.8 Ų34.833%0.32816%0.159SC..Hα-helixtrans-59.2-44-179.7177.5172.7169.9179.5-0.1113.1Q175 L176 E177 Y208 Y326R173-Q175 VanDerWaalsContact C-N 3.31Å; R173-Q175 PolarHBondContact O-N 3.39Å; R173-L176 PolarHBondContact O-N 2.95Å; R173-E177 HydrophobicContact CG-CG 4.28Å; R173-E177 IonicContact CZ-OE1 3.99Å; R173-E177 VanDerWaalsContact CZ-OE1 3.27Å; R173-E177 IonicContact NE-OE1 3.19Å; R173-E177 PolarHBondContact NE-OE1 2.76Å; R173-E177 IonicContact NH2-OE1 3.55Å; R173-E177 PolarHBondContact NH2-OE1 2.87Å; R173-E177 WeakPolarHBondContact O-CB 3.33Å; R173-E177 WeakPolarHBondContact O-CG 3.36Å; R173-E177 PolarHBondContact O-N 2.82Å; R173-Y208 HydrophobicContact CG-CD1 4.2Å; R173-Y208 HydrophobicContact CG-CD2 4.07Å; R173-Y208 HydrophobicContact CG-CE1 4.11Å; R173-Y208 HydrophobicContact CG-CE2 3.96Å; R173-Y208 HydrophobicContact CG-CG 4.2Å; R173-Y326 HydrophobicContact CB-CD2 4.02Å; R173-Y326 HydrophobicContact CB-CE2 4.24Å; R173-Y326 WeakPolarHBondContact CB-O 3.39Å; R173-Y326 HydrophobicContact CG-CE2 4.38Å; R173-Y326 PolarHBondContact N-O 3.32Å; R173-Y326 PolarHBondContact N-OXT 2.76Å; R173-Y326 PolarHBondContact NH1-OH 2.91Å
174R98.6Very high98.7Very high106 Ų10638.1 Ų38.140%0.419%0.193SC..Hα-helixtrans-59.6-45.2-178.5-177.5-170.16482.82.5110.7N172 E177 L178 E319 D324N172-R174 PolarHBondContact O-N 2.73Å; N172-R174 WeakPolarHBondContact OD1-CB 3.46Å; N172-R174 PolarHBondContact OD1-N 3.21Å; R174-E177 PolarHBondContact O-N 2.99Å; R174-L178 PolarHBondContact O-N 3.5Å; R174-E319 IonicContact CZ-OE1 3.72Å; R174-E319 IonicContact CZ-OE2 2.92Å; R174-E319 IonicContact NH1-OE1 3.47Å; R174-E319 PolarHBondContact NH1-OE1 2.93Å; R174-E319 IonicContact NH1-OE2 3.2Å; R174-E319 IonicContact NH2-OE1 3.65Å; R174-E319 PolarHBondContact NH2-OE1 3.43Å; R174-E319 IonicContact NH2-OE2 3.4Å; R174-E319 PolarHBondContact NH2-OE2 2.89Å; R174-D324 IonicContact NE-OD2 2.76Å
175Q98.8Very high98.7Very high0 Ų035.9 Ų35.90%019%0.185CC..Hα-helixtrans-68.3-37.8-179.4-67161.3-24.800111.8P122 L147 F171 N172 R173 L178 L179 E319P122-Q175 HydrophobicContact CB-CG 4.37Å; P122-Q175 VanDerWaalsContact CB-NE2 3.29Å; P122-Q175 VanDerWaalsContact CG-NE2 3.32Å; L147-Q175 HydrophobicContact CD1-CB 4.16Å; L147-Q175 HydrophobicContact CD1-CG 4.05Å; F171-Q175 HydrophobicContact CB-CB 4.2Å; F171-Q175 HydrophobicContact CD1-CB 3.55Å; F171-Q175 HydrophobicContact CE1-CB 4.17Å; F171-Q175 HydrophobicContact CG-CB 4.03Å; N172-Q175 PolarHBondContact O-N 3.27Å; N172-Q175 WeakPolarHBondContact OD1-CG 3.35Å; N172-Q175 PolarHBondContact OD1-N 2.83Å; N172-Q175 PolarHBondContact OD1-OE1 2.86Å; R173-Q175 VanDerWaalsContact C-N 3.31Å; R173-Q175 PolarHBondContact O-N 3.39Å; Q175-L178 WeakPolarHBondContact O-CB 3.45Å; Q175-L178 PolarHBondContact O-N 3.29Å; Q175-L179 PolarHBondContact O-N 3.34Å; Q175-E319 WeakPolarHBondContact CG-OE2 3.33Å; Q175-E319 PolarHBondContact NE2-O 3.25Å; Q175-E319 PolarHBondContact NE2-OE2 3.29Å
176L98.9Very high98.7Very high0 Ų041.9 Ų41.90%021%0.211CC..Hα-helixtrans-63.8-45.7170.1-70.3173000111.7V168 F171 N172 R173 L178 L179 L180 L205 Y208 I214V168-L176 HydrophobicContact CG2-CD2 3.65Å; F171-L176 HydrophobicContact CB-CD2 4.13Å; F171-L176 HydrophobicContact CB-CG 4.09Å; N172-L176 WeakPolarHBondContact O-CG 3.43Å; N172-L176 PolarHBondContact O-N 3.06Å; R173-L176 PolarHBondContact O-N 2.95Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 PolarHBondContact O-N 3.1Å; L176-L179 PolarHBondContact O-N 2.89Å; L176-L180 WeakPolarHBondContact O-CB 3.25Å; L176-L180 WeakPolarHBondContact O-CG 3.41Å; L176-L180 PolarHBondContact O-N 2.89Å; L176-L205 HydrophobicContact CD1-CD1 3.9Å; L176-Y208 HydrophobicContact CB-CE1 3.92Å; L176-Y208 HydrophobicContact CD1-CD1 4.04Å; L176-Y208 HydrophobicContact CD1-CE1 3.95Å; L176-I214 HydrophobicContact CD2-CD1 4.18Å
177E98.6Very high98.7Very high31 Ų3143.5 Ų43.515%0.14522%0.219CC..Hα-helixtrans-59.7-38.4177.3-78.6-170.7-171.500112R173 R174 L180 R181 Y208R173-E177 HydrophobicContact CG-CG 4.28Å; R173-E177 IonicContact CZ-OE1 3.99Å; R173-E177 VanDerWaalsContact CZ-OE1 3.27Å; R173-E177 IonicContact NE-OE1 3.19Å; R173-E177 PolarHBondContact NE-OE1 2.76Å; R173-E177 IonicContact NH2-OE1 3.55Å; R173-E177 PolarHBondContact NH2-OE1 2.87Å; R173-E177 WeakPolarHBondContact O-CB 3.33Å; R173-E177 WeakPolarHBondContact O-CG 3.36Å; R173-E177 PolarHBondContact O-N 2.82Å; R174-E177 PolarHBondContact O-N 2.99Å; E177-L180 PolarHBondContact O-N 3.12Å; E177-R181 VanDerWaalsContact CD-NH2 3.34Å; E177-R181 VanDerWaalsContact O-CB 3.31Å; E177-R181 WeakPolarHBondContact O-CB 3.39Å; E177-R181 WeakPolarHBondContact O-CG 3.49Å; E177-R181 PolarHBondContact O-N 2.89Å; E177-R181 IonicContact OE1-NH2 2.74Å; E177-R181 IonicContact OE2-CZ 3.8Å; E177-R181 IonicContact OE2-NH1 3.07Å; E177-R181 PolarHBondContact OE2-NH1 2.83Å; E177-R181 IonicContact OE2-NH2 2.91Å; E177-R181 PolarHBondContact OE2-NH2 3.35Å; E177-Y208 HydrophobicContact CG-CE2 4.32Å; E177-Y208 WeakPolarHBondContact CG-OH 3.22Å
178L98.6Very high98.7Very high70 Ų7048.8 Ų48.837%0.36624%0.239SC..Hα-helixtrans-56.3-52.8175.4179.467.2000111L147 R174 Q175 L176 R181 K182L147-L178 HydrophobicContact CB-CD2 4Å; L147-L178 HydrophobicContact CD1-CD2 4.08Å; L147-L178 HydrophobicContact CG-CD2 4.45Å; R174-L178 PolarHBondContact O-N 3.5Å; Q175-L178 WeakPolarHBondContact O-CB 3.45Å; Q175-L178 PolarHBondContact O-N 3.29Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 PolarHBondContact O-N 3.1Å; L178-R181 PolarHBondContact O-N 3.43Å; L178-K182 PolarHBondContact O-N 3.34Å; L178-K182 VanDerWaalsContact O-N 3.15Å
179L98.7Very high98.6Very high0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans-65.2-43178-64.6-173.8000112.1L147 W151 V168 F171 Q175 L176 R181 K182 L185L147-L179 HydrophobicContact CB-CD2 4.17Å; L147-L179 WeakPolarHBondContact O-CD2 3.31Å; W151-L179 HydrophobicContact CB-CD2 3.71Å; W151-L179 HydrophobicContact CD2-CD1 3.97Å; W151-L179 HydrophobicContact CD2-CD2 4.37Å; W151-L179 HydrophobicContact CE3-CD1 3.74Å; W151-L179 HydrophobicContact CG-CD1 4.42Å; W151-L179 HydrophobicContact CG-CD2 3.96Å; W151-L179 HydrophobicContact CZ3-CD1 4.21Å; V168-L179 HydrophobicContact CG1-CD1 3.77Å; F171-L179 HydrophobicContact CD1-CD1 4.29Å; F171-L179 HydrophobicContact CE1-CD1 3.72Å; F171-L179 HydrophobicContact CE1-CG 4.32Å; Q175-L179 PolarHBondContact O-N 3.34Å; L176-L179 PolarHBondContact O-N 2.89Å; L179-R181 VanDerWaalsContact C-N 3.27Å; L179-R181 PolarHBondContact O-N 3.08Å; L179-K182 WeakPolarHBondContact O-CB 3.48Å; L179-K182 PolarHBondContact O-N 3.16Å; L179-L185 WeakPolarHBondContact O-CD2 3.22Å
180L98.6Very high98.6Very high23 Ų2348.7 Ų48.712%0.1224%0.238CC..Hα-helixtrans-68.2-24.5-177.1-69.4177.9000113.7L176 E177 P189 N212 I214L176-L180 WeakPolarHBondContact O-CB 3.25Å; L176-L180 WeakPolarHBondContact O-CG 3.41Å; L176-L180 PolarHBondContact O-N 2.89Å; E177-L180 PolarHBondContact O-N 3.12Å; L180-P189 HydrophobicContact CD2-CG 4.05Å; L180-N212 HydrophobicContact CD1-CB 4.09Å; L180-I214 HydrophobicContact CD1-CD1 4.22Å
181R98.3Very high98.7Very high177 Ų17748.2 Ų48.267%0.66824%0.236SC*.Hα-helixtrans-98.9-1.7177-67-177.2-177.9143.212.7113.5E177 L178 L179E177-R181 VanDerWaalsContact CD-NH2 3.34Å; E177-R181 VanDerWaalsContact O-CB 3.31Å; E177-R181 WeakPolarHBondContact O-CB 3.39Å; E177-R181 WeakPolarHBondContact O-CG 3.49Å; E177-R181 PolarHBondContact O-N 2.89Å; E177-R181 IonicContact OE1-NH2 2.74Å; E177-R181 IonicContact OE2-CZ 3.8Å; E177-R181 IonicContact OE2-NH1 3.07Å; E177-R181 PolarHBondContact OE2-NH1 2.83Å; E177-R181 IonicContact OE2-NH2 2.91Å; E177-R181 PolarHBondContact OE2-NH2 3.35Å; L178-R181 PolarHBondContact O-N 3.43Å; L179-R181 VanDerWaalsContact C-N 3.27Å; L179-R181 PolarHBondContact O-N 3.08Å
182K98.2Very high98.7Very high13 Ų1348.1 Ų48.16%0.05724%0.235CC..  trans-53.2126.4178.6179.6-173.3169.6-67.20110.8C148 E152 E155 L178 L179 G184 L185C148-K182 HydrophobicContact CB-CD 3.96Å; C148-K182 HydrophobicContact CB-CG 4.15Å; C148-K182 WeakPolarHBondContact O-CE 3.41Å; E152-K182 VanDerWaalsContact CD-CE 3.48Å; E152-K182 WeakPolarHBondContact OE1-CE 3.42Å; E152-K182 IonicContact OE1-NZ 3.9Å; E152-K182 PolarHBondContact OE1-NZ 3.41Å; E155-K182 IonicContact OE2-NZ 3.67Å; L178-K182 PolarHBondContact O-N 3.34Å; L178-K182 VanDerWaalsContact O-N 3.15Å; L179-K182 WeakPolarHBondContact O-CB 3.48Å; L179-K182 PolarHBondContact O-N 3.16Å; K182-G184 PolarHBondContact O-N 3.15Å; K182-L185 HydrophobicContact CB-CB 4.47Å; K182-L185 HydrophobicContact CD-CD1 4.48Å; K182-L185 WeakPolarHBondContact O-CB 3.45Å; K182-L185 PolarHBondContact O-N 3.28Å
183P98.1Very high98.7Very high115 Ų11548.2 Ų48.275%0.74724%0.236SC*.THydrogen-bonded Turntrans-56.3134.9172.8-25.535.2000111.5L185P183-L185 VanDerWaalsContact C-N 3.26Å; P183-L185 PolarHBondContact O-N 2.96Å
184G98.2Very high98.7Very high72 Ų7244.2 Ų44.274%0.74222%0.221SC*.THydrogen-bonded Turntrans6818.8179.300000115.2K182 K186K182-G184 PolarHBondContact O-N 3.15Å; G184-K186 PolarHBondContact O-N 2.91Å; G184-K186 VanDerWaalsContact O-N 3.16Å
185L98.8Very high98.7Very high40 Ų4039.2 Ų39.221%0.20920%0.202CC..  trans-50.6120174.1-178.669.5000110.9E155 L179 K182 P183 R188E155-L185 WeakPolarHBondContact OE1-CD1 3.42Å; L179-L185 WeakPolarHBondContact O-CD2 3.22Å; K182-L185 HydrophobicContact CB-CB 4.47Å; K182-L185 HydrophobicContact CD-CD1 4.48Å; K182-L185 WeakPolarHBondContact O-CB 3.45Å; K182-L185 PolarHBondContact O-N 3.28Å; P183-L185 VanDerWaalsContact C-N 3.26Å; P183-L185 PolarHBondContact O-N 2.96Å; L185-R188 HydrophobicContact CD2-CG 3.84Å
186K98.7Very high98.7Very high127 Ų12739.2 Ų39.255%0.55220%0.202SC*.  trans-98.6-46.9-176.3-174.9177.4-178.7175.90111.8E155 D159 G184E155-K186 WeakPolarHBondContact OE1-CA 3.4Å; E155-K186 WeakPolarHBondContact OE1-CB 3.45Å; E155-K186 PolarHBondContact OE1-N 3.37Å; D159-K186 WeakPolarHBondContact OD1-CE 3.37Å; D159-K186 IonicContact OD1-NZ 2.85Å; D159-K186 PolarHBondContact OD1-NZ 2.57Å; D159-K186 WeakPolarHBondContact OD2-CE 3.11Å; D159-K186 IonicContact OD2-NZ 3.71Å; D159-K186 PolarHBondContact OD2-NZ 2.75Å; G184-K186 PolarHBondContact O-N 2.91Å; G184-K186 VanDerWaalsContact O-N 3.16Å
187H98.8Very high98.7Very high34 Ų3439.2 Ų39.216%0.15720%0.202CC..SBendtrans-121116178.7-57.8-75.1000109.3W151 E155 K158 D159 L166W151-H187 WeakPolarHBondContact CZ2-O 3.39Å; W151-H187 PolarHBondContact NE1-O 3.12Å; E155-H187 HydrophobicContact CG-CB 4.16Å; E155-H187 PolarHBondContact OE1-N 3.29Å; K158-H187 HydrophobicContact CD-CB 4.35Å; K158-H187 WeakPolarHBondContact CE-ND1 3.17Å; D159-H187 IonicContact OD1-CD2 2.86Å; D159-H187 IonicContact OD1-CE1 3.34Å; D159-H187 IonicContact OD1-NE2 2.75Å; D159-H187 PolarHBondContact OD1-NE2 2.88Å; L166-H187 HydrophobicContact CD1-CB 4.13Å
188R98.7Very high98.7Very high111 Ų11137.7 Ų37.742%0.41920%0.195SC..  trans-71.2146.1176.3-61.5174.369.387.5-6110.1L185 V190L185-R188 HydrophobicContact CD2-CG 3.84Å; R188-V190 PolarHBondContact O-N 2.78Å
189P98.9Very high98.7Very high0 Ų034.7 Ų34.70%018%0.179CC..  trans-61124.6169.725-32.7000109.3W151 L166 L180 I214W151-P189 HydrophobicContact CH2-CB 3.59Å; W151-P189 HydrophobicContact CH2-CG 4.48Å; W151-P189 HydrophobicContact CZ2-CB 3.89Å; W151-P189 HydrophobicContact CZ2-CG 4.39Å; W151-P189 HydrophobicContact CZ3-CB 4.37Å; L166-P189 WeakPolarHBondContact O-CA 3.37Å; L180-P189 HydrophobicContact CD2-CG 4.05Å; P189-I214 HydrophobicContact CG-CD1 4.25Å; P189-I214 WeakPolarHBondContact O-CG1 3.5Å
190V98.9Very high98.7Very high1 Ų135.1 Ų35.11%0.00618%0.181CC..  trans-92-18-177.2-51.80000112.7L12 D14 L116 L166 R188 V215L12-V190 HydrophobicContact CB-CB 4.12Å; L12-V190 HydrophobicContact CB-CG2 4.2Å; L12-V190 HydrophobicContact CD1-CG2 3.94Å; L12-V190 HydrophobicContact CD2-CB 4.14Å; L12-V190 HydrophobicContact CD2-CG2 3.83Å; L12-V190 HydrophobicContact CG-CG2 4.2Å; D14-V190 HydrophobicContact CB-CG1 3.89Å; L116-V190 HydrophobicContact CD1-CG2 4.37Å; L166-V190 WeakPolarHBondContact O-CG2 3.27Å; L166-V190 PolarHBondContact O-N 3.05Å; R188-V190 PolarHBondContact O-N 2.78Å; V190-V215 PolarHBondContact O-N 3.21Å
191S98.9Very high98.7Very high0 Ų034.1 Ų34.10%018%0.175CC..EExtended strand (participates in β ladder)trans-142.9152.9179.664.40000112.7G167 V168 V215G167-S191 WeakPolarHBondContact CA-O 3.3Å; V168-S191 PolarHBondContact N-O 2.79Å; S191-V215 CarbonylContact C-O 3.51Å; S191-V215 WeakPolarHBondContact CA-O 3.41Å; S191-V215 WeakPolarHBondContact CB-O 3.44Å
192N98.9Very high98.7Very high0 Ų026 Ų260%015%0.145CC..EExtended strand (participates in β ladder)trans-126.9115.5165.2-174.314.3000109.3V168 F171 V194 I214 V215 I216 V217V168-N192 HydrophobicContact CG2-CB 4.02Å; V168-N192 CarbonylContact O-C 3.53Å; V168-N192 VanDerWaalsContact O-CA 3.27Å; V168-N192 WeakPolarHBondContact O-CA 2.98Å; F171-N192 PolarHBondContact N-OD1 3.39Å; F171-N192 PolarHBondContact O-ND2 3.35Å; N192-V194 WeakPolarHBondContact OD1-CG1 3.42Å; N192-I214 HydrophobicContact CB-CG2 4.05Å; N192-V215 PolarHBondContact N-O 2.99Å; N192-I216 HydrophobicContact CB-CD1 4.06Å; N192-I216 WeakPolarHBondContact O-CA 3.46Å; N192-V217 PolarHBondContact O-N 3.48Å
193Q98.9Very high98.7Very high6 Ų628.3 Ų28.33%0.02816%0.161CC..EExtended strand (participates in β ladder)trans-89.2113.1179-172.7-177.4117.300110.4D53 I118 V168 S169 N170 V217 Y219 I271D53-Q193 PolarHBondContact OD2-NE2 2.96Å; I118-Q193 HydrophobicContact CD1-CB 3.97Å; V168-Q193 PolarHBondContact O-N 3Å; S169-Q193 CarbonylContact C-O 3.5Å; S169-Q193 WeakPolarHBondContact CA-O 3.41Å; S169-Q193 WeakPolarHBondContact CB-O 3.37Å; S169-Q193 PolarHBondContact OG-O 3.45Å; N170-Q193 PolarHBondContact N-O 3.39Å; Q193-V217 CarbonylContact C-O 3.44Å; Q193-V217 WeakPolarHBondContact CA-O 3.33Å; Q193-V217 HydrophobicContact CB-CB 3.95Å; Q193-V217 HydrophobicContact CB-CG1 4.45Å; Q193-V217 HydrophobicContact CG-CB 3.9Å; Q193-V217 HydrophobicContact CG-CG1 3.9Å; Q193-V217 WeakPolarHBondContact CG-O 3.41Å; Q193-Y219 HydrophobicContact CG-CD1 4.15Å; Q193-I271 HydrophobicContact CG-CD1 4.28Å
194V98.9Very high98.7Very high3 Ų327.2 Ų27.22%0.01815%0.145CC..EExtended strand (participates in β ladder)trans-139.3161.1-174.7-64.40000111.6N192 C196 Q202 L205 I216 V217 G218 Y219N192-V194 WeakPolarHBondContact OD1-CG1 3.42Å; V194-C196 PolarHBondContact O-N 3.23Å; V194-Q202 HydrophobicContact CG2-CG 4.18Å; V194-L205 HydrophobicContact CG1-CD2 4.04Å; V194-L205 HydrophobicContact CG2-CD2 4.22Å; V194-I216 HydrophobicContact CG2-CD1 4.13Å; V194-I216 HydrophobicContact CG2-CG2 3.91Å; V194-V217 PolarHBondContact N-O 3.06Å; V194-G218 CarbonylContact O-C 3.55Å; V194-G218 WeakPolarHBondContact O-CA 3.32Å; V194-Y219 VanDerWaalsContact CA-CD1 3.46Å; V194-Y219 PolarHBondContact O-N 3.18Å
195E98.8Very high98.7Very high0 Ų024 Ų240%011%0.11CC..EExtended strand (participates in β ladder)trans-58.1124.7172.3-173.2177.1150.600109H197 F200 Q202 Y219 R307 F308 V309E195-H197 WeakPolarHBondContact CG-NE2 3.17Å; E195-H197 IonicContact OE1-CE1 3.8Å; E195-H197 PolarHBondContact OE1-CE1 3.46Å; E195-H197 IonicContact OE1-NE2 2.75Å; E195-H197 PolarHBondContact OE1-NE2 3.46Å; E195-F200 HydrophobicContact CB-CD1 4.21Å; E195-F200 HydrophobicContact CG-CD1 4.25Å; E195-Q202 WeakPolarHBondContact O-CG 3.43Å; E195-Q202 PolarHBondContact O-NE2 2.69Å; E195-Y219 HydrophobicContact CB-CD2 4.24Å; E195-Y219 HydrophobicContact CB-CE1 4.34Å; E195-Y219 HydrophobicContact CB-CE2 3.5Å; E195-Y219 WeakPolarHBondContact CB-OH 3.25Å; E195-Y219 HydrophobicContact CG-CE2 4.1Å; E195-R307 VanDerWaalsContact OE1-CA 3.31Å; E195-R307 WeakPolarHBondContact OE1-CA 3.41Å; E195-R307 WeakPolarHBondContact OE2-CB 3.35Å; E195-F308 PolarHBondContact OE1-N 3.25Å; E195-F308 PolarHBondContact OE2-N 3.4Å; E195-V309 WeakPolarHBondContact OE2-CA 3.5Å; E195-V309 VanDerWaalsContact OE2-CB 3.28Å; E195-V309 WeakPolarHBondContact OE2-CB 3.46Å; E195-V309 PolarHBondContact OE2-N 3.2Å
196C98.8Very high98.7Very high0 Ų022.6 Ų22.60%010%0.103CC..  trans-154.9112-178.4-173.40000112.3V194 F200 Q202 Y219 N263 R266V194-C196 PolarHBondContact O-N 3.23Å; C196-F200 WeakPolarHBondContact CA-O 3.36Å; C196-Q202 HydrophobicContact CB-CG 4.14Å; C196-Y219 PolarHBondContact N-O 3.07Å; C196-N263 PolarHBondContact O-ND2 3.43Å; C196-N263 PolarHBondContact SG-OD1 3.27Å; C196-R266 PolarHBondContact SG-NH2 3.04Å
197H98.8Very high98.7Very high0 Ų023 Ų230%011%0.105CC..BIsolated β-bridgetrans-158.7175.6179.848.664.5000110.3E195 Y199 F200 T201 S220 L238 F308E195-H197 WeakPolarHBondContact CG-NE2 3.17Å; E195-H197 IonicContact OE1-CE1 3.8Å; E195-H197 PolarHBondContact OE1-CE1 3.46Å; E195-H197 IonicContact OE1-NE2 2.75Å; E195-H197 PolarHBondContact OE1-NE2 3.46Å; H197-Y199 VanDerWaalsContact C-N 3.26Å; H197-Y199 PolarHBondContact ND1-N 2.89Å; H197-Y199 PolarHBondContact O-N 3.17Å; H197-Y199 VanDerWaalsContact O-N 3.12Å; H197-F200 PolarHBondContact N-O 3.43Å; H197-F200 VanDerWaalsContact N-O 3.08Å; H197-F200 PolarHBondContact ND1-N 3.3Å; H197-F200 CarbonylContact O-C 3.57Å; H197-F200 PolarHBondContact O-N 2.86Å; H197-T201 PolarHBondContact O-N 3.07Å; H197-S220 PolarHBondContact CD2-O 3.32Å; H197-S220 VanDerWaalsContact CD2-O 3.22Å; H197-L238 HydrophobicContact CB-CD2 3.86Å; H197-F308 AromaticContact CE1-CD2 3.54Å; H197-F308 AromaticContact CE1-CE2 3.76Å; H197-F308 AromaticContact NE2-CD2 3.35Å; H197-F308 VanDerWaalsContact NE2-CD2 3.35Å; H197-F308 WeakPolarHBondContact NE2-CD2 3.06Å; H197-F308 AromaticContact NE2-CE2 3.92Å
198P98.7Very high98.7Very high0 Ų022.2 Ų22.20%010%0.101CC..THydrogen-bonded Turntrans-55-31.6-176.2-29.735.9000116.1T201 L238 L244 A259 F262 I299 L302 N303P198-T201 VanDerWaalsContact O-CG2 3.23Å; P198-T201 WeakPolarHBondContact O-CG2 3.35Å; P198-L238 HydrophobicContact CB-CD1 3.99Å; P198-L238 HydrophobicContact CG-CD1 4.23Å; P198-L244 HydrophobicContact CG-CD1 4.34Å; P198-L244 HydrophobicContact CG-CD2 4.22Å; P198-A259 HydrophobicContact CG-CB 4.15Å; P198-F262 HydrophobicContact CG-CD1 4.14Å; P198-I299 HydrophobicContact CB-CG2 3.68Å; P198-I299 HydrophobicContact CG-CG2 3.6Å; P198-L302 HydrophobicContact CB-CB 4.25Å; P198-L302 HydrophobicContact CB-CD1 4.02Å; P198-L302 CarbonylContact O-C 3.41Å; P198-L302 VanDerWaalsContact O-C 3.25Å; P198-N303 VanDerWaalsContact O-CA 3.3Å; P198-N303 WeakPolarHBondContact O-CA 3.23Å; P198-N303 PolarHBondContact O-N 2.83Å; P198-N303 VanDerWaalsContact O-N 3.16Å
199Y98.6Very high98.8Very high7 Ų717 Ų173%0.0278%0.081CC..THydrogen-bonded Turntrans-80-14.1174-70.6-12.2000115.3H197 P236 L238 D241 L302 N303 K304 D305 F308H197-Y199 VanDerWaalsContact C-N 3.26Å; H197-Y199 PolarHBondContact ND1-N 2.89Å; H197-Y199 PolarHBondContact O-N 3.17Å; H197-Y199 VanDerWaalsContact O-N 3.12Å; Y199-P236 HydrophobicContact CE2-CG 4.07Å; Y199-L238 HydrophobicContact CD1-CD1 3.89Å; Y199-L238 HydrophobicContact CD2-CB 4.32Å; Y199-L238 HydrophobicContact CD2-CD1 3.81Å; Y199-L238 HydrophobicContact CE1-CD1 4.2Å; Y199-L238 HydrophobicContact CE2-CB 4.34Å; Y199-L238 HydrophobicContact CE2-CD1 4.1Å; Y199-L238 HydrophobicContact CG-CD1 3.71Å; Y199-D241 HydrophobicContact CE1-CB 4.28Å; Y199-D241 VanDerWaalsContact CE1-OD2 3.27Å; Y199-D241 WeakPolarHBondContact CE1-OD2 3.4Å; Y199-D241 PolarHBondContact OH-OD2 2.94Å; Y199-L302 HydrophobicContact CD1-CB 4.12Å; Y199-L302 WeakPolarHBondContact CD1-O 3.42Å; Y199-L302 HydrophobicContact CE1-CB 4.29Å; Y199-N303 PolarHBondContact O-OD1 3.3Å; Y199-K304 HydrophobicContact CD1-CD 4.04Å; Y199-K304 HydrophobicContact CD1-CG 4.18Å; Y199-K304 HydrophobicContact CD2-CD 4.26Å; Y199-K304 HydrophobicContact CE1-CD 4.27Å; Y199-K304 HydrophobicContact CG-CD 4.02Å; Y199-K304 HydrophobicContact CG-CG 4.32Å; Y199-K304 PolarHBondContact O-N 3.18Å; Y199-K304 PolarHBondContact OH-NZ 3.29Å; Y199-K304 VanDerWaalsContact OH-NZ 3.17Å; Y199-D305 PolarHBondContact O-N 3.07Å; Y199-F308 HydrophobicContact CD2-CE2 4.4Å; Y199-F308 HydrophobicContact CD2-CZ 4.03Å
200F98.6Very high98.7Very high9 Ų923.2 Ų23.24%0.03910%0.104CC..BIsolated β-bridgetrans-144.281.3178.5-163.1-115.3000108.8E195 C196 H197 Q202 N303 D305 R307E195-F200 HydrophobicContact CB-CD1 4.21Å; E195-F200 HydrophobicContact CG-CD1 4.25Å; C196-F200 WeakPolarHBondContact CA-O 3.36Å; H197-F200 PolarHBondContact N-O 3.43Å; H197-F200 VanDerWaalsContact N-O 3.08Å; H197-F200 PolarHBondContact ND1-N 3.3Å; H197-F200 CarbonylContact O-C 3.57Å; H197-F200 PolarHBondContact O-N 2.86Å; F200-Q202 VanDerWaalsContact C-N 3.32Å; F200-Q202 HydrophobicContact CD1-CG 4.17Å; F200-Q202 VanDerWaalsContact CE1-CD 3.44Å; F200-Q202 HydrophobicContact CE1-CG 4.15Å; F200-Q202 PolarHBondContact O-N 3.37Å; F200-N303 WeakPolarHBondContact CA-OD1 3.41Å; F200-D305 WeakPolarHBondContact CE2-OD1 3.44Å; F200-R307 HydrophobicContact CD1-CG 3.93Å; F200-R307 HydrophobicContact CD2-CG 4.17Å; F200-R307 HydrophobicContact CE1-CG 3.61Å; F200-R307 HydrophobicContact CE2-CG 3.91Å; F200-R307 HydrophobicContact CG-CG 4.21Å; F200-R307 HydrophobicContact CZ-CG 3.63Å
201T98.7Very high98.7Very high2 Ų229.3 Ų29.31%0.01213%0.133CC..  trans-84.6-5.3-163.461.60000114.1H197 P198 F262 R266 N303H197-T201 PolarHBondContact O-N 3.07Å; P198-T201 VanDerWaalsContact O-CG2 3.23Å; P198-T201 WeakPolarHBondContact O-CG2 3.35Å; T201-F262 HydrophobicContact CG2-CE1 4.3Å; T201-F262 HydrophobicContact CG2-CZ 4.25Å; T201-R266 PolarHBondContact O-NH1 2.92Å; T201-R266 VanDerWaalsContact O-NH1 3.14Å; T201-R266 PolarHBondContact O-NH2 3.31Å; T201-N303 HydrophobicContact CG2-CB 3.78Å; T201-N303 PolarHBondContact N-OD1 3.03Å; T201-N303 VanDerWaalsContact OG1-CG 3.27Å; T201-N303 PolarHBondContact OG1-OD1 3.04Å
202Q98.6Very high98.7Very high6 Ų630.9 Ų30.93%0.02814%0.141CC..  trans5743.1178.3-63.6-80.619.700114.4V194 E195 C196 F200 K204 L205 L206V194-Q202 HydrophobicContact CG2-CG 4.18Å; E195-Q202 WeakPolarHBondContact O-CG 3.43Å; E195-Q202 PolarHBondContact O-NE2 2.69Å; C196-Q202 HydrophobicContact CB-CG 4.14Å; F200-Q202 VanDerWaalsContact C-N 3.32Å; F200-Q202 HydrophobicContact CD1-CG 4.17Å; F200-Q202 VanDerWaalsContact CE1-CD 3.44Å; F200-Q202 HydrophobicContact CE1-CG 4.15Å; F200-Q202 PolarHBondContact O-N 3.37Å; Q202-K204 PolarHBondContact O-N 3.47Å; Q202-L205 PolarHBondContact O-N 3.28Å; Q202-L206 WeakPolarHBondContact O-CB 3.44Å; Q202-L206 PolarHBondContact O-N 3.49Å
203P98.2Very high98.7Very high61 Ų6136.5 Ų36.540%0.39617%0.171SC..Hα-helixtrans-61-44.3-166.624.9-33.4000112.9K207P203-K207 WeakPolarHBondContact O-CB 3.44Å; P203-K207 PolarHBondContact O-N 2.86Å; P203-K207 VanDerWaalsContact O-N 3.16Å
204K98.6Very high98.7Very high93 Ų9336.5 Ų36.540%0.40417%0.172SC..Hα-helixtrans-73.9-48.1-177.6-64-176.7175.8-175.60112Q202 K207 Y208 E325 Y326Q202-K204 PolarHBondContact O-N 3.47Å; K204-K207 PolarHBondContact O-N 3.25Å; K204-Y208 PolarHBondContact O-N 3.14Å; K204-E325 HydrophobicContact CD-CG 4.44Å; K204-E325 IonicContact NZ-OE1 3.05Å; K204-E325 PolarHBondContact NZ-OE1 3.33Å; K204-E325 IonicContact NZ-OE2 2.66Å; K204-E325 PolarHBondContact NZ-OE2 3.33Å; K204-Y326 HydrophobicContact CB-CD1 3.68Å; K204-Y326 HydrophobicContact CB-CD2 3.64Å; K204-Y326 HydrophobicContact CB-CE1 4.13Å; K204-Y326 HydrophobicContact CB-CE2 4.01Å; K204-Y326 HydrophobicContact CB-CG 3.45Å; K204-Y326 VanDerWaalsContact CB-CG 3.45Å; K204-Y326 HydrophobicContact CD-CD1 3.5Å; K204-Y326 HydrophobicContact CD-CE1 3.67Å; K204-Y326 HydrophobicContact CD-CG 4.19Å; K204-Y326 HydrophobicContact CG-CD1 4.22Å; K204-Y326 HydrophobicContact CG-CE1 4.46Å; K204-Y326 HydrophobicContact CG-CG 4.45Å
205L98.8Very high98.7Very high3 Ų337.4 Ų37.42%0.01618%0.177CC..Hα-helixtrans-64.6-40.6178.2-175.957000112.1L176 V194 Q202 K207 Y208 C209 I216L176-L205 HydrophobicContact CD1-CD1 3.9Å; V194-L205 HydrophobicContact CG1-CD2 4.04Å; V194-L205 HydrophobicContact CG2-CD2 4.22Å; Q202-L205 PolarHBondContact O-N 3.28Å; L205-K207 PolarHBondContact O-N 3.06Å; L205-Y208 PolarHBondContact O-N 3.15Å; L205-C209 WeakPolarHBondContact O-CB 3.39Å; L205-C209 PolarHBondContact O-N 3.18Å; L205-C209 PolarHBondContact O-SG 2.82Å; L205-I216 HydrophobicContact CG-CD1 4.45Å
206L98.7Very high98.7Very high11 Ų1137.6 Ų37.66%0.05818%0.178CC..Hα-helixtrans-62.1-43.4175.6179.759.8000111.4Q202 C209 R210 I216 V268Q202-L206 WeakPolarHBondContact O-CB 3.44Å; Q202-L206 PolarHBondContact O-N 3.49Å; L206-C209 PolarHBondContact O-N 2.97Å; L206-R210 HydrophobicContact CD1-CG 4.45Å; L206-R210 WeakPolarHBondContact O-CB 3.29Å; L206-R210 VanDerWaalsContact O-CG 3.31Å; L206-R210 WeakPolarHBondContact O-CG 3.46Å; L206-R210 PolarHBondContact O-N 2.65Å; L206-I216 HydrophobicContact CD1-CB 4.03Å; L206-I216 HydrophobicContact CD1-CG1 3.66Å; L206-V268 HydrophobicContact CD1-CG2 3.82Å; L206-V268 HydrophobicContact CD2-CG2 4.07Å
207K98.8Very high98.7Very high136 Ų13637.6 Ų37.659%0.59118%0.178SC*.Hα-helixtrans-60.4-47.7174.8-175.5-177.8-177.8-178.40111.2P203 K204 L205 R210 Q211P203-K207 WeakPolarHBondContact O-CB 3.44Å; P203-K207 PolarHBondContact O-N 2.86Å; P203-K207 VanDerWaalsContact O-N 3.16Å; K204-K207 PolarHBondContact O-N 3.25Å; L205-K207 PolarHBondContact O-N 3.06Å; K207-R210 PolarHBondContact O-N 2.98Å; K207-Q211 WeakPolarHBondContact O-CG 3.21Å; K207-Q211 PolarHBondContact O-N 2.69Å
208Y98.8Very high98.7Very high18 Ų1837.6 Ų37.67%0.07118%0.178CC..Hα-helixtrans-61.8-45.3179.1179.1-97000112.2R173 L176 E177 K204 L205 R210 Q211 N212R173-Y208 HydrophobicContact CG-CD1 4.2Å; R173-Y208 HydrophobicContact CG-CD2 4.07Å; R173-Y208 HydrophobicContact CG-CE1 4.11Å; R173-Y208 HydrophobicContact CG-CE2 3.96Å; R173-Y208 HydrophobicContact CG-CG 4.2Å; L176-Y208 HydrophobicContact CB-CE1 3.92Å; L176-Y208 HydrophobicContact CD1-CD1 4.04Å; L176-Y208 HydrophobicContact CD1-CE1 3.95Å; E177-Y208 HydrophobicContact CG-CE2 4.32Å; E177-Y208 WeakPolarHBondContact CG-OH 3.22Å; K204-Y208 PolarHBondContact O-N 3.14Å; L205-Y208 PolarHBondContact O-N 3.15Å; Y208-R210 PolarHBondContact O-N 2.91Å; Y208-Q211 PolarHBondContact O-N 2.96Å; Y208-N212 WeakPolarHBondContact CE2-ND2 3.17Å; Y208-N212 VanDerWaalsContact CZ-ND2 3.34Å; Y208-N212 PolarHBondContact O-N 3.2Å; Y208-N212 PolarHBondContact O-ND2 3.3Å
209C98.8Very high98.7Very high0 Ų038.9 Ų38.90%018%0.183CC..Hα-helixtrans-62.6-43178-71.60000111.6L205 L206 Q211 N212 N213 I214 I216L205-C209 WeakPolarHBondContact O-CB 3.39Å; L205-C209 PolarHBondContact O-N 3.18Å; L205-C209 PolarHBondContact O-SG 2.82Å; L206-C209 PolarHBondContact O-N 2.97Å; C209-Q211 PolarHBondContact O-N 3.28Å; C209-N212 CarbonylContact O-C 3Å; C209-N212 PolarHBondContact O-N 2.95Å; C209-N213 PolarHBondContact O-N 2.8Å; C209-N213 VanDerWaalsContact O-N 3.11Å; C209-I214 CarbonylContact C-O 3.25Å; C209-I214 HydrophobicContact CB-CB 3.89Å; C209-I214 HydrophobicContact CB-CG2 4.22Å; C209-I214 WeakPolarHBondContact CB-O 3.14Å; C209-I214 PolarHBondContact O-N 2.78Å; C209-I216 HydrophobicContact CB-CD1 3.89Å; C209-I216 HydrophobicContact CB-CG1 4.06Å; C209-I216 WeakPolarHBondContact SG-CD1 3.49Å
210R98.4Very high98.7Very high131 Ų13139.8 Ų39.849%0.49419%0.191SC..Hα-helixtrans-59.1-43.8174.4-75.9174177.8164-1.2112.6L206 K207 Y208 N212 N213 R266L206-R210 HydrophobicContact CD1-CG 4.45Å; L206-R210 WeakPolarHBondContact O-CB 3.29Å; L206-R210 VanDerWaalsContact O-CG 3.31Å; L206-R210 WeakPolarHBondContact O-CG 3.46Å; L206-R210 PolarHBondContact O-N 2.65Å; K207-R210 PolarHBondContact O-N 2.98Å; Y208-R210 PolarHBondContact O-N 2.91Å; R210-N212 PolarHBondContact O-N 2.71Å; R210-N213 PolarHBondContact O-N 3.36Å; R210-R266 PolarHBondContact NH2-O 3.04Å
211Q98.6Very high98.7Very high129 Ų12939.5 Ų39.560%0.60319%0.19SC*.Hα-helixtrans-61.3-23.2176.9-72.4172.6-28.100113K207 Y208 C209K207-Q211 WeakPolarHBondContact O-CG 3.21Å; K207-Q211 PolarHBondContact O-N 2.69Å; Y208-Q211 PolarHBondContact O-N 2.96Å; C209-Q211 PolarHBondContact O-N 3.28Å
212N98.6Very high98.7Very high33 Ų3340.8 Ų40.818%0.17620%0.196CC..THydrogen-bonded Turntrans-106.49.5-178.9-72.6-79000113.8L180 Y208 C209 R210 I214L180-N212 HydrophobicContact CD1-CB 4.09Å; Y208-N212 WeakPolarHBondContact CE2-ND2 3.17Å; Y208-N212 VanDerWaalsContact CZ-ND2 3.34Å; Y208-N212 PolarHBondContact O-N 3.2Å; Y208-N212 PolarHBondContact O-ND2 3.3Å; C209-N212 CarbonylContact O-C 3Å; C209-N212 PolarHBondContact O-N 2.95Å; R210-N212 PolarHBondContact O-N 2.71Å; N212-I214 VanDerWaalsContact C-N 3.29Å; N212-I214 HydrophobicContact CB-CD1 4.08Å; N212-I214 HydrophobicContact CB-CG1 4.04Å; N212-I214 PolarHBondContact O-N 3.39Å
213N98.6Very high98.6Very high119 Ų11940.6 Ų40.664%0.63620%0.196SC*.THydrogen-bonded Turntrans55.541.6-175.1-56.1-56.1000113.2S13 C209 R210S13-N213 VanDerWaalsContact CB-O 3.32Å; S13-N213 WeakPolarHBondContact CB-O 3.22Å; S13-N213 PolarHBondContact OG-O 2.72Å; S13-N213 VanDerWaalsContact OG-O 3.09Å; C209-N213 PolarHBondContact O-N 2.8Å; C209-N213 VanDerWaalsContact O-N 3.11Å; R210-N213 PolarHBondContact O-N 3.36Å
214I98.9Very high98.6Very high6 Ų638.9 Ų38.93%0.03118%0.184CC..  trans-107.4124.7174.8-55.6-177.4000108.1L176 L180 P189 N192 C209 N212L176-I214 HydrophobicContact CD2-CD1 4.18Å; L180-I214 HydrophobicContact CD1-CD1 4.22Å; P189-I214 HydrophobicContact CG-CD1 4.25Å; P189-I214 WeakPolarHBondContact O-CG1 3.5Å; N192-I214 HydrophobicContact CB-CG2 4.05Å; C209-I214 CarbonylContact C-O 3.25Å; C209-I214 HydrophobicContact CB-CB 3.89Å; C209-I214 HydrophobicContact CB-CG2 4.22Å; C209-I214 WeakPolarHBondContact CB-O 3.14Å; C209-I214 PolarHBondContact O-N 2.78Å; N212-I214 VanDerWaalsContact C-N 3.29Å; N212-I214 HydrophobicContact CB-CD1 4.08Å; N212-I214 HydrophobicContact CB-CG1 4.04Å; N212-I214 PolarHBondContact O-N 3.39Å
215V98.9Very high98.5Very high22 Ų2238.4 Ų38.413%0.13319%0.193CC..EExtended strand (participates in β ladder)trans-82.5127.2177.1175.50000109.9L12 I18 V190 S191 N192 V269L12-V215 HydrophobicContact CD2-CB 4.18Å; L12-V215 HydrophobicContact CD2-CG2 3.93Å; I18-V215 HydrophobicContact CG2-CG1 4.43Å; V190-V215 PolarHBondContact O-N 3.21Å; S191-V215 CarbonylContact C-O 3.51Å; S191-V215 WeakPolarHBondContact CA-O 3.41Å; S191-V215 WeakPolarHBondContact CB-O 3.44Å; N192-V215 PolarHBondContact N-O 2.99Å; V215-V269 HydrophobicContact CG1-CG2 3.54Å
216I98.9Very high98.4Very high3 Ų341.6 Ų41.62%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-76.7129.1169.4-67-60000109.5N192 V194 L205 L206 C209 V268 V269N192-I216 HydrophobicContact CB-CD1 4.06Å; N192-I216 WeakPolarHBondContact O-CA 3.46Å; V194-I216 HydrophobicContact CG2-CD1 4.13Å; V194-I216 HydrophobicContact CG2-CG2 3.91Å; L205-I216 HydrophobicContact CG-CD1 4.45Å; L206-I216 HydrophobicContact CD1-CB 4.03Å; L206-I216 HydrophobicContact CD1-CG1 3.66Å; C209-I216 HydrophobicContact CB-CD1 3.89Å; C209-I216 HydrophobicContact CB-CG1 4.06Å; C209-I216 WeakPolarHBondContact SG-CD1 3.49Å; I216-V268 HydrophobicContact CB-CG2 4.42Å; I216-V268 HydrophobicContact CG2-CG1 3.97Å; I216-V268 HydrophobicContact CG2-CG2 4.44Å; I216-V269 PolarHBondContact O-N 3.05Å
217V98.9Very high98.1Very high1 Ų142.9 Ų42.91%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-104.6109.3166-175.90000108.1I18 N192 Q193 V194 Y219 V269 I271I18-V217 HydrophobicContact CD1-CG2 4.14Å; N192-V217 PolarHBondContact O-N 3.48Å; Q193-V217 CarbonylContact C-O 3.44Å; Q193-V217 WeakPolarHBondContact CA-O 3.33Å; Q193-V217 HydrophobicContact CB-CB 3.95Å; Q193-V217 HydrophobicContact CB-CG1 4.45Å; Q193-V217 HydrophobicContact CG-CB 3.9Å; Q193-V217 HydrophobicContact CG-CG1 3.9Å; Q193-V217 WeakPolarHBondContact CG-O 3.41Å; V194-V217 PolarHBondContact N-O 3.06Å; V217-Y219 PolarHBondContact O-N 2.75Å; V217-V269 CarbonylContact C-O 3.49Å; V217-V269 HydrophobicContact CB-CB 4.3Å; V217-V269 HydrophobicContact CG1-CB 4.23Å; V217-V269 HydrophobicContact CG1-CG1 4Å; V217-V269 HydrophobicContact CG2-CB 4.01Å; V217-V269 HydrophobicContact CG2-CG1 4.26Å; V217-V269 HydrophobicContact CG2-CG2 4.36Å; V217-I271 HydrophobicContact CG1-CD1 4.03Å; V217-I271 HydrophobicContact CG1-CG1 4.09Å; V217-I271 HydrophobicContact CG1-CG2 4.09Å
218G98.8Very high97.8Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-76.3100.2179.300000111.9V194 P221 V269V194-G218 CarbonylContact O-C 3.55Å; V194-G218 WeakPolarHBondContact O-CA 3.32Å; G218-P221 WeakPolarHBondContact O-CD 3.35Å; G218-V269 PolarHBondContact N-O 3.45Å
219Y98.8Very high97.3Very high26 Ų2642.6 Ų42.610%0.10223%0.234CC..EExtended strand (participates in β ladder)trans-75.7160.1166.278.6-115.7000110.5N170 Q193 V194 E195 C196 V217 P221 V309N170-Y219 WeakPolarHBondContact OD1-CE1 3.31Å; N170-Y219 PolarHBondContact OD1-OH 3.01Å; Q193-Y219 HydrophobicContact CG-CD1 4.15Å; V194-Y219 VanDerWaalsContact CA-CD1 3.46Å; V194-Y219 PolarHBondContact O-N 3.18Å; E195-Y219 HydrophobicContact CB-CD2 4.24Å; E195-Y219 HydrophobicContact CB-CE1 4.34Å; E195-Y219 HydrophobicContact CB-CE2 3.5Å; E195-Y219 WeakPolarHBondContact CB-OH 3.25Å; E195-Y219 HydrophobicContact CG-CE2 4.1Å; C196-Y219 PolarHBondContact N-O 3.07Å; V217-Y219 PolarHBondContact O-N 2.75Å; Y219-P221 VanDerWaalsContact C-N 3.27Å; Y219-V309 HydrophobicContact CE2-CB 4.15Å; Y219-V309 HydrophobicContact CE2-CG1 4.47Å; Y219-V309 HydrophobicContact CE2-CG2 3.94Å
220S98.5Very high96.9Very high27 Ų2745.2 Ų45.219%0.18924%0.244CC..SBendtrans4940.5-173.5-67.70000114H197 L222 G223H197-S220 PolarHBondContact CD2-O 3.32Å; H197-S220 VanDerWaalsContact CD2-O 3.22Å; S220-L222 PolarHBondContact O-N 3.29Å; S220-G223 PolarHBondContact O-N 3.48Å
221P98.7Very high96.8Very high3 Ų339.4 Ų39.42%0.01922%0.223CC..THydrogen-bonded Turntrans-66.5-9.6-168.930.9-37.5000113.9G218 Y219 L260 V270 P272G218-P221 WeakPolarHBondContact O-CD 3.35Å; Y219-P221 VanDerWaalsContact C-N 3.27Å; P221-L260 HydrophobicContact CB-CD2 4Å; P221-L260 HydrophobicContact CG-CD2 3.96Å; P221-V270 HydrophobicContact CB-CB 4.1Å; P221-V270 HydrophobicContact CB-CG1 4.11Å; P221-V270 HydrophobicContact CG-CB 4.22Å; P221-P272 HydrophobicContact CG-CB 4.04Å
222L98.7Very high96.5Very high28 Ų2834.3 Ų34.315%0.14720%0.2CC..THydrogen-bonded Turntrans-106.311.9177.1-61.2-177.9000113.5S220 L239 A256 L260 P272S220-L222 PolarHBondContact O-N 3.29Å; L222-L239 HydrophobicContact CB-CD2 4.45Å; L222-L239 HydrophobicContact CD2-CD2 4.22Å; L222-A256 HydrophobicContact CD1-CB 4.31Å; L222-A256 HydrophobicContact CD2-CB 3.61Å; L222-L260 HydrophobicContact CD2-CD1 3.91Å; L222-L260 HydrophobicContact CD2-CD2 3.97Å; L222-L260 HydrophobicContact CD2-CG 3.66Å; L222-L260 HydrophobicContact CG-CD2 4.38Å; L222-P272 HydrophobicContact CD1-CB 3.76Å; L222-P272 HydrophobicContact CG-CB 4.08Å
223G97.8Very high96.3Very high2 Ų236.5 Ų36.52%0.02121%0.211CC..SBendtrans78.737.2179.400000113.8S220 F308S220-G223 PolarHBondContact O-N 3.48Å; G223-F308 VanDerWaalsContact CA-CE2 3.44Å
224T97.9Very high95.9Very high25 Ų2540 Ų4015%0.15322%0.221CC..  trans65179.5177.1780000115.3R226 W230 V231 F308 V309T224-R226 VanDerWaalsContact C-N 3.25Å; T224-R226 PolarHBondContact OG1-N 2.7Å; T224-W230 HydrophobicContact CG2-CH2 3.92Å; T224-W230 HydrophobicContact CG2-CZ3 3.69Å; T224-V231 HydrophobicContact CG2-CG2 4.11Å; T224-V231 WeakPolarHBondContact OG1-CG2 3.26Å; T224-F308 HydrophobicContact CG2-CB 3.55Å; T224-F308 HydrophobicContact CG2-CD2 4.26Å; T224-F308 HydrophobicContact CG2-CG 4.15Å; T224-V309 HydrophobicContact CG2-CG2 3.84Å
225S95.8Very high95.5Very high84 Ų8440 Ų4059%0.58722%0.221SC*.  trans-81.7-2.2166.4590000113.4D227 W230S225-D227 VanDerWaalsContact C-N 3.25Å; S225-D227 PolarHBondContact O-N 2.89Å; S225-W230 WeakPolarHBondContact OG-CZ2 3.49Å
226R95.9Very high95.2Very high69 Ų6941.7 Ų41.726%0.2623%0.232SC..  trans57.335-175-55.7-172.262.279.4-2.5114.1T224 A228 L233 C235T224-R226 VanDerWaalsContact C-N 3.25Å; T224-R226 PolarHBondContact OG1-N 2.7Å; R226-A228 PolarHBondContact O-N 3.49Å; R226-L233 HydrophobicContact CB-CD2 3.96Å; R226-C235 PolarHBondContact NH1-O 3.38Å; R226-C235 PolarHBondContact NH2-O 2.9Å
227D92.6Very high95.1Very high38 Ų3843.1 Ų43.120%0.20324%0.242CC..  trans-69.5118.9173.5175.6-14.8000110S225 S229 W230 V231S225-D227 VanDerWaalsContact C-N 3.25Å; S225-D227 PolarHBondContact O-N 2.89Å; D227-S229 PolarHBondContact O-N 3.47Å; D227-S229 WeakPolarHBondContact OD1-CB 3.44Å; D227-S229 PolarHBondContact OD1-N 3.03Å; D227-S229 PolarHBondContact OD1-OG 3.43Å; D227-S229 PolarHBondContact OD2-OG 3.31Å; D227-W230 HydrophobicContact CB-CZ2 4.14Å; D227-W230 VanDerWaalsContact CB-NE1 3.31Å; D227-W230 VanDerWaalsContact CG-NE1 3.29Å; D227-W230 PolarHBondContact O-N 2.91Å; D227-W230 PolarHBondContact OD2-NE1 2.98Å; D227-V231 VanDerWaalsContact O-CB 3.23Å; D227-V231 WeakPolarHBondContact O-CB 3.33Å; D227-V231 VanDerWaalsContact O-CG2 3.32Å; D227-V231 WeakPolarHBondContact O-CG2 3.45Å; D227-V231 PolarHBondContact O-N 3.38Å
228A92.3Very high95.1Very high76 Ų7643.2 Ų43.263%0.62824%0.242SC*.THydrogen-bonded Turntrans-61.4-16.6-175.400000114R226 W230 L233R226-A228 PolarHBondContact O-N 3.49Å; A228-W230 VanDerWaalsContact C-N 3.33Å; A228-L233 HydrophobicContact CB-CD1 3.73Å
229S89.5Confident95.1Very high72 Ų7246.2 Ų46.250%0.50326%0.258SS..THydrogen-bonded Turntrans-75.4-18.7-179.364.50000114.2D227D227-S229 PolarHBondContact O-N 3.47Å; D227-S229 WeakPolarHBondContact OD1-CB 3.44Å; D227-S229 PolarHBondContact OD1-N 3.03Å; D227-S229 PolarHBondContact OD1-OG 3.43Å; D227-S229 PolarHBondContact OD2-OG 3.31Å
230W90.4Very high95Very high55 Ų5551.8 Ų51.821%0.20829%0.285CS..THydrogen-bonded Turntrans-144.3-10.8179.956.5-91.1000114.9Y26 T224 S225 D227 A228 V309Y26-W230 HydrophobicContact CE1-CZ2 4.05Å; T224-W230 HydrophobicContact CG2-CH2 3.92Å; T224-W230 HydrophobicContact CG2-CZ3 3.69Å; S225-W230 WeakPolarHBondContact OG-CZ2 3.49Å; D227-W230 HydrophobicContact CB-CZ2 4.14Å; D227-W230 VanDerWaalsContact CB-NE1 3.31Å; D227-W230 VanDerWaalsContact CG-NE1 3.29Å; D227-W230 PolarHBondContact O-N 2.91Å; D227-W230 PolarHBondContact OD2-NE1 2.98Å; A228-W230 VanDerWaalsContact C-N 3.33Å; W230-V309 HydrophobicContact CE3-CG1 4.31Å; W230-V309 HydrophobicContact CE3-CG2 4.03Å; W230-V309 HydrophobicContact CZ3-CG2 3.59Å
231V95.3Very high95Very high10 Ų1051.5 Ų51.56%0.06128%0.281CS..SBendtrans-93.2134.7-179.3-179.70000111.7T224 D227 L233 F308T224-V231 HydrophobicContact CG2-CG2 4.11Å; T224-V231 WeakPolarHBondContact OG1-CG2 3.26Å; D227-V231 VanDerWaalsContact O-CB 3.23Å; D227-V231 WeakPolarHBondContact O-CB 3.33Å; D227-V231 VanDerWaalsContact O-CG2 3.32Å; D227-V231 WeakPolarHBondContact O-CG2 3.45Å; D227-V231 PolarHBondContact O-N 3.38Å; V231-L233 HydrophobicContact CB-CD2 4.25Å; V231-L233 HydrophobicContact CG1-CD2 4.01Å; V231-L233 PolarHBondContact O-N 3.22Å; V231-F308 CarbonylContact C-O 3.41Å; V231-F308 WeakPolarHBondContact CA-O 3.44Å; V231-F308 HydrophobicContact CG1-CB 4.06Å; V231-F308 HydrophobicContact CG1-CD1 4.03Å; V231-F308 HydrophobicContact CG1-CG 4.35Å
232N93.7Very high95Very high21 Ų2159.3 Ų59.311%0.11232%0.318CS..  trans-68.695.6165.4-177.6-0.5000110.9K234 F308 E310N232-K234 PolarHBondContact O-N 3.42Å; N232-K234 VanDerWaalsContact OD1-CB 3.23Å; N232-K234 WeakPolarHBondContact OD1-CB 3.29Å; N232-K234 WeakPolarHBondContact OD1-CG 3.15Å; N232-K234 PolarHBondContact OD1-N 2.82Å; N232-F308 PolarHBondContact N-O 2.77Å; N232-E310 HydrophobicContact CB-CG 4.32Å; N232-E310 WeakPolarHBondContact CB-OE2 3.49Å; N232-E310 VanDerWaalsContact ND2-CD 3.34Å; N232-E310 PolarHBondContact ND2-OE1 2.91Å; N232-E310 PolarHBondContact ND2-OE2 2.76Å
233L93.9Very high95Very high79 Ų7960.3 Ų60.341%0.41433%0.325SS..THydrogen-bonded Turntrans-75.6-4.6-179.2-63-177.8000114.3R226 A228 V231 C235R226-L233 HydrophobicContact CB-CD2 3.96Å; A228-L233 HydrophobicContact CB-CD1 3.73Å; V231-L233 HydrophobicContact CB-CD2 4.25Å; V231-L233 HydrophobicContact CG1-CD2 4.01Å; V231-L233 PolarHBondContact O-N 3.22Å; L233-C235 PolarHBondContact O-N 3.29Å
234K90.4Very high95.1Very high193 Ų19360.2 Ų60.284%0.83932%0.324SS*.THydrogen-bonded Turntrans-66-29.4174.9-60.8177.1-179.5172.90111.5N232N232-K234 PolarHBondContact O-N 3.42Å; N232-K234 VanDerWaalsContact OD1-CB 3.23Å; N232-K234 WeakPolarHBondContact OD1-CB 3.29Å; N232-K234 WeakPolarHBondContact OD1-CG 3.15Å; N232-K234 PolarHBondContact OD1-N 2.82Å
235C89.1Confident95.1Very high5 Ų561.2 Ų61.23%0.03433%0.33CS..SBendtrans-76.1133171.1-950000110.8R226 L233 I306 F308R226-C235 PolarHBondContact NH1-O 3.38Å; R226-C235 PolarHBondContact NH2-O 2.9Å; L233-C235 PolarHBondContact O-N 3.29Å; C235-I306 WeakPolarHBondContact SG-CG2 3.38Å; C235-F308 HydrophobicContact CB-CD1 3.85Å; C235-F308 HydrophobicContact CB-CE1 3.25Å; C235-F308 HydrophobicContact CB-CZ 4Å
236P94Very high95.3Very high58 Ų5861 Ų6138%0.37733%0.328SS..PPolyproline II helixtrans-63.2159.4178.727.6-34.5000111Y199 L238 F308Y199-P236 HydrophobicContact CE2-CG 4.07Å; P236-L238 PolarHBondContact O-N 2.89Å; P236-F308 WeakPolarHBondContact O-CZ 3.43Å
237P97Very high95.4Very high33 Ų3358.3 Ų58.321%0.21432%0.319CS..PPolyproline II helixtrans-55.9124.2175.8-22.833.7000111.3L239 E240P237-L239 VanDerWaalsContact C-N 3.32Å; P237-L239 PolarHBondContact O-N 3.06Å; P237-E240 HydrophobicContact CB-CB 4.31Å; P237-E240 HydrophobicContact CB-CG 4.04Å; P237-E240 PolarHBondContact O-N 2.89Å
238L98Very high95.7Very high3 Ų356.7 Ų56.72%0.01631%0.311CS..G310 helixtrans-57.4-45.1-178.8174.470.7000112H197 P198 Y199 P236 E240 D241 L244 F308H197-L238 HydrophobicContact CB-CD2 3.86Å; P198-L238 HydrophobicContact CB-CD1 3.99Å; P198-L238 HydrophobicContact CG-CD1 4.23Å; Y199-L238 HydrophobicContact CD1-CD1 3.89Å; Y199-L238 HydrophobicContact CD2-CB 4.32Å; Y199-L238 HydrophobicContact CD2-CD1 3.81Å; Y199-L238 HydrophobicContact CE1-CD1 4.2Å; Y199-L238 HydrophobicContact CE2-CB 4.34Å; Y199-L238 HydrophobicContact CE2-CD1 4.1Å; Y199-L238 HydrophobicContact CG-CD1 3.71Å; P236-L238 PolarHBondContact O-N 2.89Å; L238-E240 PolarHBondContact O-N 3.22Å; L238-E240 VanDerWaalsContact O-N 3.15Å; L238-D241 VanDerWaalsContact O-CB 3.26Å; L238-D241 WeakPolarHBondContact O-CB 3.42Å; L238-D241 PolarHBondContact O-N 3.01Å; L238-D241 VanDerWaalsContact O-N 3.08Å; L238-L244 HydrophobicContact CD1-CD1 4.04Å; L238-L244 HydrophobicContact CG-CD1 4.13Å; L238-L244 WeakPolarHBondContact O-CD1 3.35Å; L238-F308 HydrophobicContact CB-CE2 4.19Å; L238-F308 HydrophobicContact CB-CZ 4.41Å
239L98.3Very high96Very high64 Ų6460.7 Ų60.734%0.33531%0.314SS..G310 helixtrans-72.5-8-171.3-55.9-175.7000113.8L222 P237 S255 A256L222-L239 HydrophobicContact CB-CD2 4.45Å; L222-L239 HydrophobicContact CD2-CD2 4.22Å; P237-L239 VanDerWaalsContact C-N 3.32Å; P237-L239 PolarHBondContact O-N 3.06Å; L239-S255 WeakPolarHBondContact O-CB 3.42Å; L239-S255 PolarHBondContact O-OG 3.48Å; L239-A256 HydrophobicContact CD1-CB 4.23Å; L239-A256 HydrophobicContact CD2-CB 4.13Å
240E98.1Very high96.4Very high142 Ų14263.4 Ų63.466%0.66432%0.317SS*.G310 helixtrans-95.5-1.9175.2-65172.3-159.500112.3P237 L238 E242P237-E240 HydrophobicContact CB-CB 4.31Å; P237-E240 HydrophobicContact CB-CG 4.04Å; P237-E240 PolarHBondContact O-N 2.89Å; L238-E240 PolarHBondContact O-N 3.22Å; L238-E240 VanDerWaalsContact O-N 3.15Å; E240-E242 PolarHBondContact O-N 2.86Å
241D98.5Very high96.8Very high21 Ų2163.3 Ų63.311%0.11232%0.317CS..  trans-58.8129.4177.8-174.6-80.9000111.7Y199 L238 V243 L244 V245 L302Y199-D241 HydrophobicContact CE1-CB 4.28Å; Y199-D241 VanDerWaalsContact CE1-OD2 3.27Å; Y199-D241 WeakPolarHBondContact CE1-OD2 3.4Å; Y199-D241 PolarHBondContact OH-OD2 2.94Å; L238-D241 VanDerWaalsContact O-CB 3.26Å; L238-D241 WeakPolarHBondContact O-CB 3.42Å; L238-D241 PolarHBondContact O-N 3.01Å; L238-D241 VanDerWaalsContact O-N 3.08Å; D241-V243 VanDerWaalsContact C-N 3.28Å; D241-V243 PolarHBondContact O-N 3.34Å; D241-V243 VanDerWaalsContact OD1-CB 3.32Å; D241-V243 WeakPolarHBondContact OD1-CB 3.47Å; D241-V243 PolarHBondContact OD1-N 3.33Å; D241-L244 HydrophobicContact CB-CB 4.38Å; D241-L244 HydrophobicContact CB-CD1 4.15Å; D241-L244 HydrophobicContact CB-CG 4.14Å; D241-L244 PolarHBondContact O-N 3.37Å; D241-L244 VanDerWaalsContact O-N 3.15Å; D241-L244 PolarHBondContact OD1-N 3.08Å; D241-V245 WeakPolarHBondContact O-CG2 3.37Å; D241-V245 PolarHBondContact O-N 3.15Å; D241-L302 WeakPolarHBondContact OD1-CD1 3.42Å
242E98.4Very high96.9Very high167 Ų16774.1 Ų74.178%0.7836%0.356SS*.Hα-helixtrans-62.7-33-172.8-64.5-174.8170.100113.1E240 V245 S246E240-E242 PolarHBondContact O-N 2.86Å; E242-V245 PolarHBondContact O-N 3.22Å; E242-S246 WeakPolarHBondContact O-CB 3.36Å; E242-S246 PolarHBondContact O-N 3.34Å
243V98.7Very high97.2Very high50 Ų5074.9 Ų74.930%0.30336%0.359SS..Hα-helixtrans-68.3-45.1177.3174.90000109.5D241 S246 I247 A298 I299 L302D241-V243 VanDerWaalsContact C-N 3.28Å; D241-V243 PolarHBondContact O-N 3.34Å; D241-V243 VanDerWaalsContact OD1-CB 3.32Å; D241-V243 WeakPolarHBondContact OD1-CB 3.47Å; D241-V243 PolarHBondContact OD1-N 3.33Å; V243-S246 PolarHBondContact O-N 3.49Å; V243-I247 HydrophobicContact CG1-CD1 3.76Å; V243-I247 WeakPolarHBondContact O-CB 3.49Å; V243-I247 VanDerWaalsContact O-CG1 3.26Å; V243-I247 WeakPolarHBondContact O-CG1 3.23Å; V243-I247 PolarHBondContact O-N 2.7Å; V243-A298 HydrophobicContact CG1-CB 4.16Å; V243-I299 HydrophobicContact CG1-CG1 4.48Å; V243-L302 HydrophobicContact CB-CD1 4.15Å; V243-L302 HydrophobicContact CB-CD2 4.01Å; V243-L302 HydrophobicContact CB-CG 4.5Å; V243-L302 HydrophobicContact CG1-CD1 4.36Å; V243-L302 HydrophobicContact CG2-CD2 3.87Å
244L98.8Very high97.4Very high0 Ų073.7 Ų73.70%035%0.353CS..Hα-helixtrans-62.5-44.3176.1-62.6-177.8000111.6P198 L238 D241 A248 V258 A259 I299 L302P198-L244 HydrophobicContact CG-CD1 4.34Å; P198-L244 HydrophobicContact CG-CD2 4.22Å; L238-L244 HydrophobicContact CD1-CD1 4.04Å; L238-L244 HydrophobicContact CG-CD1 4.13Å; L238-L244 WeakPolarHBondContact O-CD1 3.35Å; D241-L244 HydrophobicContact CB-CB 4.38Å; D241-L244 HydrophobicContact CB-CD1 4.15Å; D241-L244 HydrophobicContact CB-CG 4.14Å; D241-L244 PolarHBondContact O-N 3.37Å; D241-L244 VanDerWaalsContact O-N 3.15Å; D241-L244 PolarHBondContact OD1-N 3.08Å; L244-A248 WeakPolarHBondContact O-CB 3.39Å; L244-A248 PolarHBondContact O-N 3.23Å; L244-V258 HydrophobicContact CD2-CB 4.48Å; L244-V258 HydrophobicContact CD2-CG1 3.78Å; L244-A259 HydrophobicContact CD1-CB 4.33Å; L244-I299 HydrophobicContact CD2-CD1 4.33Å; L244-I299 HydrophobicContact CD2-CG1 4.04Å; L244-I299 HydrophobicContact CD2-CG2 4.09Å; L244-L302 HydrophobicContact CD2-CD1 4.18Å; L244-L302 HydrophobicContact CG-CD1 4.07Å
245V98.8Very high97.8Very high46 Ų4665.2 Ų65.228%0.27932%0.318SS..Hα-helixtrans-62.7-43.8177.9170.80000111.2D241 E242 A248 K249 S255D241-V245 WeakPolarHBondContact O-CG2 3.37Å; D241-V245 PolarHBondContact O-N 3.15Å; E242-V245 PolarHBondContact O-N 3.22Å; V245-A248 PolarHBondContact O-N 3.49Å; V245-K249 WeakPolarHBondContact O-CG 3.36Å; V245-K249 PolarHBondContact O-N 3.17Å; V245-K249 VanDerWaalsContact O-N 3.12Å; V245-S255 WeakPolarHBondContact CG2-OG 3.45Å
246S98.7Very high98.3Very high78 Ų7865.5 Ų65.555%0.54532%0.32SS..Hα-helixtrans-63.9-48180-176.10000111.7E242 V243 A248 K249 K250E242-S246 WeakPolarHBondContact O-CB 3.36Å; E242-S246 PolarHBondContact O-N 3.34Å; V243-S246 PolarHBondContact O-N 3.49Å; S246-A248 VanDerWaalsContact C-N 3.33Å; S246-A248 PolarHBondContact O-N 2.88Å; S246-K249 PolarHBondContact O-N 2.78Å; S246-K250 PolarHBondContact O-N 3.37Å
247I98.8Very high98.5Very high14 Ų1463.3 Ų63.37%0.07231%0.305CS..Hα-helixtrans-63.3-41.4176.9-66.7171.2000110.4V243 K249 K250 Y251 V258 L291 E295 I299V243-I247 HydrophobicContact CG1-CD1 3.76Å; V243-I247 WeakPolarHBondContact O-CB 3.49Å; V243-I247 VanDerWaalsContact O-CG1 3.26Å; V243-I247 WeakPolarHBondContact O-CG1 3.23Å; V243-I247 PolarHBondContact O-N 2.7Å; I247-K249 VanDerWaalsContact C-N 3.31Å; I247-K249 PolarHBondContact O-N 3.31Å; I247-K250 WeakPolarHBondContact O-CB 3.35Å; I247-K250 PolarHBondContact O-N 2.9Å; I247-K250 VanDerWaalsContact O-N 3.16Å; I247-Y251 HydrophobicContact CG2-CD2 4.01Å; I247-Y251 HydrophobicContact CG2-CE2 3.92Å; I247-Y251 VanDerWaalsContact O-CD2 3.32Å; I247-Y251 WeakPolarHBondContact O-CD2 3.47Å; I247-Y251 PolarHBondContact O-N 3.44Å; I247-V258 HydrophobicContact CB-CG1 4.16Å; I247-V258 HydrophobicContact CG2-CG1 3.76Å; I247-V258 HydrophobicContact CG2-CG2 4.03Å; I247-L291 HydrophobicContact CG2-CD2 3.57Å; I247-E295 HydrophobicContact CD1-CB 4.05Å; I247-E295 HydrophobicContact CD1-CG 4.07Å; I247-E295 HydrophobicContact CG1-CG 4.18Å; I247-E295 HydrophobicContact CG2-CG 4.49Å; I247-I299 HydrophobicContact CD1-CD1 3.77Å; I247-I299 HydrophobicContact CD1-CG1 3.68Å
248A98.7Very high98.6Very high4 Ų461.7 Ų61.73%0.03330%0.295CS..Hα-helixtrans-58.3-43178.900000112L244 V245 S246 K250 Y251 R252 K253 N254 V258L244-A248 WeakPolarHBondContact O-CB 3.39Å; L244-A248 PolarHBondContact O-N 3.23Å; V245-A248 PolarHBondContact O-N 3.49Å; S246-A248 VanDerWaalsContact C-N 3.33Å; S246-A248 PolarHBondContact O-N 2.88Å; A248-K250 VanDerWaalsContact C-N 3.34Å; A248-K250 PolarHBondContact O-N 3.36Å; A248-Y251 PolarHBondContact O-N 2.86Å; A248-R252 PolarHBondContact O-N 3.3Å; A248-R252 VanDerWaalsContact O-N 3.11Å; A248-K253 CarbonylContact C-O 3.53Å; A248-K253 WeakPolarHBondContact CB-O 3.46Å; A248-K253 PolarHBondContact O-N 2.9Å; A248-N254 VanDerWaalsContact CB-C 3.49Å; A248-V258 HydrophobicContact CB-CG2 3.71Å
249K98.6Very high98.6Very high160 Ų16061.6 Ų61.670%0.69629%0.294SS*.Hα-helixtrans-58.8-42.3176.4-72.9172.6-177.4175.80112.5V245 S246 I247 Y251 R252V245-K249 WeakPolarHBondContact O-CG 3.36Å; V245-K249 PolarHBondContact O-N 3.17Å; V245-K249 VanDerWaalsContact O-N 3.12Å; S246-K249 PolarHBondContact O-N 2.78Å; I247-K249 VanDerWaalsContact C-N 3.31Å; I247-K249 PolarHBondContact O-N 3.31Å; K249-Y251 VanDerWaalsContact C-N 3.25Å; K249-Y251 PolarHBondContact O-N 2.97Å; K249-R252 PolarHBondContact O-N 2.93Å
250K98.4Very high98.7Very high128 Ų12858.5 Ų58.556%0.55728%0.278SS*.Hα-helixtrans-57.2-38.7179179.7-178.9168.8-172.30112.4S246 I247 A248 E295S246-K250 PolarHBondContact O-N 3.37Å; I247-K250 WeakPolarHBondContact O-CB 3.35Å; I247-K250 PolarHBondContact O-N 2.9Å; I247-K250 VanDerWaalsContact O-N 3.16Å; A248-K250 VanDerWaalsContact C-N 3.34Å; A248-K250 PolarHBondContact O-N 3.36Å; K250-E295 VanDerWaalsContact CD-OE1 3.28Å; K250-E295 WeakPolarHBondContact CD-OE1 3.26Å; K250-E295 WeakPolarHBondContact CE-OE1 3.36Å; K250-E295 IonicContact NZ-OE1 2.87Å; K250-E295 PolarHBondContact NZ-OE1 3.35Å
251Y98.5Very high98.7Very high54 Ų5453 Ų5321%0.21225%0.251CS..Hα-helixtrans-96.53.1-177.7-64.2-72.8000114.3I247 A248 K249 K253 F289 S290 L291 E295I247-Y251 HydrophobicContact CG2-CD2 4.01Å; I247-Y251 HydrophobicContact CG2-CE2 3.92Å; I247-Y251 VanDerWaalsContact O-CD2 3.32Å; I247-Y251 WeakPolarHBondContact O-CD2 3.47Å; I247-Y251 PolarHBondContact O-N 3.44Å; A248-Y251 PolarHBondContact O-N 2.86Å; K249-Y251 VanDerWaalsContact C-N 3.25Å; K249-Y251 PolarHBondContact O-N 2.97Å; Y251-K253 PolarHBondContact O-N 3.12Å; Y251-F289 HydrophobicContact CD1-CB 4.14Å; Y251-F289 AromaticContact CD1-CD2 3.91Å; Y251-F289 HydrophobicContact CD1-CD2 3.91Å; Y251-F289 HydrophobicContact CD1-CG 4.43Å; Y251-F289 AromaticContact CD2-CD2 3.96Å; Y251-F289 HydrophobicContact CD2-CD2 3.96Å; Y251-F289 HydrophobicContact CD2-CE2 4.17Å; Y251-F289 HydrophobicContact CE1-CD2 4.39Å; Y251-F289 HydrophobicContact CE2-CD2 4.43Å; Y251-F289 AromaticContact CG-CD2 3.69Å; Y251-F289 HydrophobicContact CG-CD2 3.69Å; Y251-F289 HydrophobicContact CG-CE2 4.25Å; Y251-F289 HydrophobicContact CG-CG 4.41Å; Y251-S290 PolarHBondContact OH-O 2.84Å; Y251-L291 HydrophobicContact CE2-CD2 4.25Å; Y251-E295 WeakPolarHBondContact CE2-OE1 3.47Å; Y251-E295 VanDerWaalsContact OH-CD 3.28Å; Y251-E295 PolarHBondContact OH-OE1 3.3Å; Y251-E295 VanDerWaalsContact OH-OE1 3.13Å; Y251-E295 PolarHBondContact OH-OE2 3.3Å
252R98.4Very high98.7Very high236 Ų23652 Ų5289%0.89125%0.246SC*.THydrogen-bonded Turntrans54.141.6-170.6-52.8178.9-174.2177.31.3111.8A248 K249A248-R252 PolarHBondContact O-N 3.3Å; A248-R252 VanDerWaalsContact O-N 3.11Å; K249-R252 PolarHBondContact O-N 2.93Å
253K98.6Very high98.7Very high37 Ų3744 Ų4416%0.16121%0.209CC..  trans-114.3-179.9178.1-65.1-64.6174.7171.90110.1A248 Y251 Q257 Q285 D288 F289A248-K253 CarbonylContact C-O 3.53Å; A248-K253 WeakPolarHBondContact CB-O 3.46Å; A248-K253 PolarHBondContact O-N 2.9Å; Y251-K253 PolarHBondContact O-N 3.12Å; K253-Q257 VanDerWaalsContact CA-OE1 3.23Å; K253-Q257 HydrophobicContact CB-CB 4.15Å; K253-Q257 VanDerWaalsContact CB-OE1 3.25Å; K253-Q257 HydrophobicContact CD-CB 4.42Å; K253-Q285 PolarHBondContact NZ-O 3.46Å; K253-D288 WeakPolarHBondContact CE-OD1 3.28Å; K253-D288 IonicContact NZ-OD1 2.57Å; K253-D288 PolarHBondContact NZ-OD1 2.94Å; K253-D288 IonicContact NZ-OD2 3.27Å; K253-D288 PolarHBondContact NZ-OD2 3.21Å; K253-F289 HydrophobicContact CD-CD1 4.2Å; K253-F289 HydrophobicContact CD-CE1 4.07Å; K253-F289 HydrophobicContact CG-CD1 4.12Å; K253-F289 HydrophobicContact CG-CE1 3.91Å; K253-F289 HydrophobicContact CG-CZ 4.15Å
254N98.6Very high98.7Very high54 Ų5441.7 Ų41.729%0.28920%0.195SC..  trans-108.7165.216967.345.4000111.5A248 A256 Q257 V258A248-N254 VanDerWaalsContact CB-C 3.49Å; N254-A256 PolarHBondContact O-N 2.87Å; N254-A256 WeakPolarHBondContact OD1-CA 3.13Å; N254-A256 WeakPolarHBondContact OD1-CB 3.33Å; N254-A256 PolarHBondContact OD1-N 3.16Å; N254-A256 VanDerWaalsContact OD1-N 3.1Å; N254-Q257 WeakPolarHBondContact O-CB 3.21Å; N254-Q257 PolarHBondContact O-N 3.08Å; N254-Q257 VanDerWaalsContact O-N 3.14Å; N254-Q257 WeakPolarHBondContact OD1-CG 2.96Å; N254-Q257 PolarHBondContact OD1-N 3.28Å; N254-V258 PolarHBondContact O-N 3.33Å
255S98.8Very high98.7Very high15 Ų1544.2 Ų44.211%0.10521%0.206CC..Hα-helixtrans-58.7-32-178-50.20000113.2L239 V245 V258 A259L239-S255 WeakPolarHBondContact O-CB 3.42Å; L239-S255 PolarHBondContact O-OG 3.48Å; V245-S255 WeakPolarHBondContact CG2-OG 3.45Å; S255-V258 PolarHBondContact O-N 3.26Å; S255-A259 WeakPolarHBondContact O-CB 3.44Å; S255-A259 PolarHBondContact O-N 3.07Å
256A98.8Very high98.6Very high11 Ų1143.4 Ų43.49%0.09120%0.198CC..Hα-helixtrans-65.2-45.2177.400000111.2L222 L239 N254 V258 A259 L260L222-A256 HydrophobicContact CD1-CB 4.31Å; L222-A256 HydrophobicContact CD2-CB 3.61Å; L239-A256 HydrophobicContact CD1-CB 4.23Å; L239-A256 HydrophobicContact CD2-CB 4.13Å; N254-A256 PolarHBondContact O-N 2.87Å; N254-A256 WeakPolarHBondContact OD1-CA 3.13Å; N254-A256 WeakPolarHBondContact OD1-CB 3.33Å; N254-A256 PolarHBondContact OD1-N 3.16Å; N254-A256 VanDerWaalsContact OD1-N 3.1Å; A256-V258 VanDerWaalsContact C-N 3.3Å; A256-V258 PolarHBondContact O-N 2.92Å; A256-A259 PolarHBondContact O-N 3.11Å; A256-L260 WeakPolarHBondContact O-CB 3.41Å; A256-L260 WeakPolarHBondContact O-CD1 3.33Å; A256-L260 WeakPolarHBondContact O-CG 3.41Å; A256-L260 PolarHBondContact O-N 3.45Å
257Q98.9Very high98.6Very high12 Ų1241.4 Ų41.46%0.05619%0.19CC..Hα-helixtrans-61-38.9175.6-72.2165.5-32.700111.9K253 N254 R261 D282 I286K253-Q257 VanDerWaalsContact CA-OE1 3.23Å; K253-Q257 HydrophobicContact CB-CB 4.15Å; K253-Q257 VanDerWaalsContact CB-OE1 3.25Å; K253-Q257 HydrophobicContact CD-CB 4.42Å; N254-Q257 WeakPolarHBondContact O-CB 3.21Å; N254-Q257 PolarHBondContact O-N 3.08Å; N254-Q257 VanDerWaalsContact O-N 3.14Å; N254-Q257 WeakPolarHBondContact OD1-CG 2.96Å; N254-Q257 PolarHBondContact OD1-N 3.28Å; Q257-R261 WeakPolarHBondContact O-CB 2.94Å; Q257-R261 PolarHBondContact O-N 3.2Å; Q257-D282 WeakPolarHBondContact CG-O 3.09Å; Q257-D282 PolarHBondContact NE2-O 3.27Å; Q257-I286 HydrophobicContact CB-CG2 4Å; Q257-I286 HydrophobicContact CG-CG2 4.14Å
258V98.9Very high98.6Very high0 Ų040.7 Ų40.70%019%0.187CC..Hα-helixtrans-65.7-48.3175.6176.40000111.4L244 I247 A248 N254 S255 A256 L260 R261 F262 L291 I299L244-V258 HydrophobicContact CD2-CB 4.48Å; L244-V258 HydrophobicContact CD2-CG1 3.78Å; I247-V258 HydrophobicContact CB-CG1 4.16Å; I247-V258 HydrophobicContact CG2-CG1 3.76Å; I247-V258 HydrophobicContact CG2-CG2 4.03Å; A248-V258 HydrophobicContact CB-CG2 3.71Å; N254-V258 PolarHBondContact O-N 3.33Å; S255-V258 PolarHBondContact O-N 3.26Å; A256-V258 VanDerWaalsContact C-N 3.3Å; A256-V258 PolarHBondContact O-N 2.92Å; V258-L260 VanDerWaalsContact C-N 3.31Å; V258-L260 PolarHBondContact O-N 3.29Å; V258-R261 PolarHBondContact O-N 3.15Å; V258-F262 WeakPolarHBondContact O-CB 3.25Å; V258-F262 PolarHBondContact O-N 3.21Å; V258-L291 HydrophobicContact CG1-CD2 4.2Å; V258-I299 HydrophobicContact CG1-CD1 3.64Å
259A98.8Very high98.6Very high0 Ų040.5 Ų40.50%019%0.185CC..Hα-helixtrans-61.1-38.9178.200000112.5P198 L244 S255 A256 N263P198-A259 HydrophobicContact CG-CB 4.15Å; L244-A259 HydrophobicContact CD1-CB 4.33Å; S255-A259 WeakPolarHBondContact O-CB 3.44Å; S255-A259 PolarHBondContact O-N 3.07Å; A256-A259 PolarHBondContact O-N 3.11Å; A259-N263 PolarHBondContact O-N 3.33Å
260L98.9Very high98.6Very high0 Ų032.9 Ų32.90%015%0.152CC..Hα-helixtrans-69.5-46.8175.9-68.9167.1000111.8F21 P221 L222 A256 V258 F262 N263 V264 V270 P272 N283 I286F21-L260 HydrophobicContact CE2-CB 4.13Å; F21-L260 HydrophobicContact CE2-CD1 3.94Å; F21-L260 HydrophobicContact CE2-CD2 4.15Å; F21-L260 HydrophobicContact CE2-CG 4.29Å; F21-L260 HydrophobicContact CZ-CD1 3.89Å; F21-L260 HydrophobicContact CZ-CD2 4.45Å; P221-L260 HydrophobicContact CB-CD2 4Å; P221-L260 HydrophobicContact CG-CD2 3.96Å; L222-L260 HydrophobicContact CD2-CD1 3.91Å; L222-L260 HydrophobicContact CD2-CD2 3.97Å; L222-L260 HydrophobicContact CD2-CG 3.66Å; L222-L260 HydrophobicContact CG-CD2 4.38Å; A256-L260 WeakPolarHBondContact O-CB 3.41Å; A256-L260 WeakPolarHBondContact O-CD1 3.33Å; A256-L260 WeakPolarHBondContact O-CG 3.41Å; A256-L260 PolarHBondContact O-N 3.45Å; V258-L260 VanDerWaalsContact C-N 3.31Å; V258-L260 PolarHBondContact O-N 3.29Å; L260-F262 VanDerWaalsContact C-N 3.26Å; L260-F262 PolarHBondContact O-N 2.95Å; L260-N263 PolarHBondContact O-N 3.46Å; L260-V264 WeakPolarHBondContact O-CG2 3.44Å; L260-V264 PolarHBondContact O-N 3.29Å; L260-V270 HydrophobicContact CD2-CB 3.85Å; L260-V270 HydrophobicContact CD2-CG1 4.27Å; L260-V270 HydrophobicContact CD2-CG2 3.75Å; L260-P272 HydrophobicContact CD1-CB 4.33Å; L260-P272 HydrophobicContact CD1-CG 4.08Å; L260-P272 HydrophobicContact CD2-CB 3.87Å; L260-P272 HydrophobicContact CD2-CG 3.66Å; L260-N283 HydrophobicContact CD1-CB 3.98Å; L260-I286 HydrophobicContact CB-CD1 4.46Å; L260-I286 HydrophobicContact CB-CG2 4.17Å
261R98.8Very high98.6Very high25 Ų2527.2 Ų27.29%0.09413%0.127CC..Hα-helixtrans-58.1-41.2177.317966.6-161.1-168.3-4.2111.4Q257 V258 N263 V264 Q265 I286 F289 L291Q257-R261 WeakPolarHBondContact O-CB 2.94Å; Q257-R261 PolarHBondContact O-N 3.2Å; V258-R261 PolarHBondContact O-N 3.15Å; R261-N263 PolarHBondContact O-N 3.37Å; R261-V264 PolarHBondContact O-N 2.92Å; R261-Q265 WeakPolarHBondContact O-CB 3.41Å; R261-Q265 PolarHBondContact O-N 2.79Å; R261-I286 HydrophobicContact CB-CB 4.43Å; R261-I286 WeakPolarHBondContact CD-O 3.19Å; R261-I286 PolarHBondContact NH1-O 3.14Å; R261-F289 HydrophobicContact CB-CE1 4.15Å; R261-F289 HydrophobicContact CB-CE2 4.09Å; R261-F289 HydrophobicContact CB-CZ 3.54Å; R261-F289 HydrophobicContact CG-CD2 4.49Å; R261-F289 HydrophobicContact CG-CE1 4.29Å; R261-F289 HydrophobicContact CG-CE2 3.86Å; R261-F289 HydrophobicContact CG-CZ 3.75Å; R261-F289 PolarHBondContact NE-O 3.22Å; R261-F289 PolarHBondContact NH1-O 3.11Å; R261-F289 VanDerWaalsContact NH1-O 3.14Å; R261-L291 HydrophobicContact CB-CD1 4.22Å; R261-L291 HydrophobicContact CG-CD1 3.92Å; R261-L291 HydrophobicContact CG-CG 3.89Å
262F98.9Very high98.6Very high1 Ų124.7 Ų24.70%0.00412%0.118CC..Hα-helixtrans-53-53.4176.4165.8-105.6000111.9P198 T201 V258 L260 R266 L291 M296 I299 E300P198-F262 HydrophobicContact CG-CD1 4.14Å; T201-F262 HydrophobicContact CG2-CE1 4.3Å; T201-F262 HydrophobicContact CG2-CZ 4.25Å; V258-F262 WeakPolarHBondContact O-CB 3.25Å; V258-F262 PolarHBondContact O-N 3.21Å; L260-F262 VanDerWaalsContact C-N 3.26Å; L260-F262 PolarHBondContact O-N 2.95Å; F262-R266 VanDerWaalsContact CE1-CZ 3.5Å; F262-R266 WeakPolarHBondContact O-CG 3.47Å; F262-R266 PolarHBondContact O-N 3.08Å; F262-L291 HydrophobicContact CB-CD1 3.92Å; F262-M296 HydrophobicContact CD2-CE 3.72Å; F262-M296 HydrophobicContact CD2-SD 3.78Å; F262-M296 HydrophobicContact CE2-CE 4.07Å; F262-M296 WeakPolarHBondContact O-CE 3.2Å; F262-I299 HydrophobicContact CB-CD1 4.29Å; F262-I299 HydrophobicContact CB-CG2 4Å; F262-I299 HydrophobicContact CD1-CG2 3.88Å; F262-I299 HydrophobicContact CD2-CB 3.82Å; F262-I299 HydrophobicContact CD2-CD1 4.46Å; F262-I299 HydrophobicContact CD2-CG2 3.5Å; F262-I299 HydrophobicContact CE1-CG2 4.2Å; F262-I299 HydrophobicContact CE2-CB 4.1Å; F262-I299 HydrophobicContact CE2-CG2 3.86Å; F262-I299 HydrophobicContact CG-CB 4.3Å; F262-I299 HydrophobicContact CG-CG2 3.51Å; F262-I299 HydrophobicContact CZ-CG2 4.18Å; F262-E300 HydrophobicContact CE2-CB 4.13Å; F262-E300 HydrophobicContact CZ-CB 4.22Å
263N98.8Very high98.6Very high0 Ų017.4 Ų17.40%09%0.092CC..Hα-helixtrans-66.8-46.4180-88.6-35.8000112.2C196 A259 L260 R261 Q265 R266 G267 V268 V270C196-N263 PolarHBondContact O-ND2 3.43Å; C196-N263 PolarHBondContact SG-OD1 3.27Å; A259-N263 PolarHBondContact O-N 3.33Å; L260-N263 PolarHBondContact O-N 3.46Å; R261-N263 PolarHBondContact O-N 3.37Å; N263-Q265 VanDerWaalsContact C-N 3.31Å; N263-Q265 PolarHBondContact O-N 3.29Å; N263-R266 CarbonylContact O-C 3.58Å; N263-R266 VanDerWaalsContact O-CG 3.28Å; N263-R266 WeakPolarHBondContact O-CG 3.28Å; N263-R266 PolarHBondContact O-N 2.81Å; N263-R266 PolarHBondContact OD1-NE 3.13Å; N263-R266 PolarHBondContact OD1-NH2 3.36Å; N263-G267 PolarHBondContact O-N 3.1Å; N263-V268 CarbonylContact C-O 3.56Å; N263-V268 HydrophobicContact CB-CB 3.96Å; N263-V268 HydrophobicContact CB-CG1 4.04Å; N263-V268 WeakPolarHBondContact O-CB 3.34Å; N263-V268 PolarHBondContact O-N 2.94Å; N263-V270 HydrophobicContact CB-CG1 3.34Å
264V98.6Very high98.6Very high1 Ų115.9 Ų15.91%0.0069%0.086CC..Hα-helixtrans-60.9-41.5-179.9168.40000111.6L3 L20 F21 L260 R261 R266 G267 V270 I286 F287L3-V264 HydrophobicContact CD1-CG1 3.6Å; L20-V264 HydrophobicContact CB-CG1 4.27Å; L20-V264 HydrophobicContact CD1-CG1 4.16Å; F21-V264 HydrophobicContact CD2-CG2 4.24Å; L260-V264 WeakPolarHBondContact O-CG2 3.44Å; L260-V264 PolarHBondContact O-N 3.29Å; R261-V264 PolarHBondContact O-N 2.92Å; V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 3.28Å; V264-G267 PolarHBondContact O-N 2.69Å; V264-V270 HydrophobicContact CG2-CB 4.48Å; V264-V270 HydrophobicContact CG2-CG1 4.18Å; V264-V270 HydrophobicContact CG2-CG2 3.53Å; V264-I286 HydrophobicContact CB-CD1 4.02Å; V264-I286 HydrophobicContact CG1-CD1 4.17Å; V264-I286 HydrophobicContact CG2-CD1 3.7Å; V264-F287 HydrophobicContact CG1-CE1 4.25Å
265Q98.3Very high98.6Very high52 Ų5215.3 Ų15.324%0.2438%0.081CC..Hα-helixtrans-67.7-28.6-178.7-170.6166.1-59.800112.8R261 N263 G267 L291 M296R261-Q265 WeakPolarHBondContact O-CB 3.41Å; R261-Q265 PolarHBondContact O-N 2.79Å; N263-Q265 VanDerWaalsContact C-N 3.31Å; N263-Q265 PolarHBondContact O-N 3.29Å; Q265-G267 VanDerWaalsContact C-N 3.3Å; Q265-L291 PolarHBondContact NE2-O 3.29Å; Q265-M296 HydrophobicContact CB-CE 4.25Å; Q265-M296 HydrophobicContact CB-SD 4.31Å; Q265-M296 HydrophobicContact CG-CE 4.47Å; Q265-M296 HydrophobicContact CG-SD 4.42Å
266R97.7Very high98.5Very high29 Ų2916 Ų1611%0.1099%0.087CC..THydrogen-bonded Turntrans-90.613.9171.672.6-170.6-170.1143.36.9113.5C196 T201 R210 F262 N263 V264 V268 M296C196-R266 PolarHBondContact SG-NH2 3.04Å; T201-R266 PolarHBondContact O-NH1 2.92Å; T201-R266 VanDerWaalsContact O-NH1 3.14Å; T201-R266 PolarHBondContact O-NH2 3.31Å; R210-R266 PolarHBondContact NH2-O 3.04Å; F262-R266 VanDerWaalsContact CE1-CZ 3.5Å; F262-R266 WeakPolarHBondContact O-CG 3.47Å; F262-R266 PolarHBondContact O-N 3.08Å; N263-R266 CarbonylContact O-C 3.58Å; N263-R266 VanDerWaalsContact O-CG 3.28Å; N263-R266 WeakPolarHBondContact O-CG 3.28Å; N263-R266 PolarHBondContact O-N 2.81Å; N263-R266 PolarHBondContact OD1-NE 3.13Å; N263-R266 PolarHBondContact OD1-NH2 3.36Å; V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 3.28Å; R266-V268 VanDerWaalsContact C-N 3.33Å; R266-V268 HydrophobicContact CG-CG2 4.08Å; R266-V268 PolarHBondContact O-N 3.31Å; R266-M296 HydrophobicContact CB-CE 3.97Å
267G97.4Very high98.5Very high36 Ų3619.8 Ų19.837%0.37111%0.109SC..THydrogen-bonded Turntrans7419.3174.800000114.9N263 V264 Q265N263-G267 PolarHBondContact O-N 3.1Å; V264-G267 PolarHBondContact O-N 2.69Å; Q265-G267 VanDerWaalsContact C-N 3.3Å
268V98.8Very high98.4Very high0 Ų024.9 Ų24.90%013%0.132CC..  trans-87.8126.5169.4171.30000108L206 I216 N263 R266L206-V268 HydrophobicContact CD1-CG2 3.82Å; L206-V268 HydrophobicContact CD2-CG2 4.07Å; I216-V268 HydrophobicContact CB-CG2 4.42Å; I216-V268 HydrophobicContact CG2-CG1 3.97Å; I216-V268 HydrophobicContact CG2-CG2 4.44Å; N263-V268 CarbonylContact C-O 3.56Å; N263-V268 HydrophobicContact CB-CB 3.96Å; N263-V268 HydrophobicContact CB-CG1 4.04Å; N263-V268 WeakPolarHBondContact O-CB 3.34Å; N263-V268 PolarHBondContact O-N 2.94Å; R266-V268 VanDerWaalsContact C-N 3.33Å; R266-V268 HydrophobicContact CG-CG2 4.08Å; R266-V268 PolarHBondContact O-N 3.31Å
269V98.9Very high98.4Very high0 Ų031.7 Ų31.70%016%0.158CC..EExtended strand (participates in β ladder)trans-68.2137.5172.8177.70000108.1V10 I18 P19 L20 V215 I216 V217 G218V10-V269 HydrophobicContact CG2-CG2 4.46Å; I18-V269 HydrophobicContact CD1-CG1 4.25Å; I18-V269 HydrophobicContact CD1-CG2 4.17Å; I18-V269 HydrophobicContact CG1-CG1 4.48Å; I18-V269 HydrophobicContact CG1-CG2 4.34Å; I18-V269 HydrophobicContact CG2-CG2 4Å; P19-V269 WeakPolarHBondContact O-CG1 3.45Å; L20-V269 HydrophobicContact CD2-CG2 3.9Å; L20-V269 CarbonylContact O-C 3.56Å; L20-V269 WeakPolarHBondContact O-CA 3.49Å; V215-V269 HydrophobicContact CG1-CG2 3.54Å; I216-V269 PolarHBondContact O-N 3.05Å; V217-V269 CarbonylContact C-O 3.49Å; V217-V269 HydrophobicContact CB-CB 4.3Å; V217-V269 HydrophobicContact CG1-CB 4.23Å; V217-V269 HydrophobicContact CG1-CG1 4Å; V217-V269 HydrophobicContact CG2-CB 4.01Å; V217-V269 HydrophobicContact CG2-CG1 4.26Å; V217-V269 HydrophobicContact CG2-CG2 4.36Å; G218-V269 PolarHBondContact N-O 3.45Å
270V98.9Very high98.4Very high0 Ų031.7 Ų31.70%016%0.158CC..EExtended strand (participates in β ladder)trans-117.6139.4176.1-61.90000110.9L20 F21 G22 P221 L260 N263 V264L20-V270 PolarHBondContact O-N 3.06Å; F21-V270 WeakPolarHBondContact CA-O 3.47Å; F21-V270 HydrophobicContact CD2-CG2 3.32Å; F21-V270 HydrophobicContact CE2-CG2 3.57Å; F21-V270 HydrophobicContact CG-CG2 4.07Å; F21-V270 HydrophobicContact CZ-CG2 4.44Å; G22-V270 PolarHBondContact N-O 3.31Å; P221-V270 HydrophobicContact CB-CB 4.1Å; P221-V270 HydrophobicContact CB-CG1 4.11Å; P221-V270 HydrophobicContact CG-CB 4.22Å; L260-V270 HydrophobicContact CD2-CB 3.85Å; L260-V270 HydrophobicContact CD2-CG1 4.27Å; L260-V270 HydrophobicContact CD2-CG2 3.75Å; N263-V270 HydrophobicContact CB-CG1 3.34Å; V264-V270 HydrophobicContact CG2-CB 4.48Å; V264-V270 HydrophobicContact CG2-CG1 4.18Å; V264-V270 HydrophobicContact CG2-CG2 3.53Å
271I98.9Very high98.4Very high8 Ų837.3 Ų37.34%0.04118%0.182CC..  trans-125.359.2178.449.4166.2000111.1G22 G24 D53 Q193 V217 K273G22-I271 WeakPolarHBondContact O-CA 3.19Å; G24-I271 PolarHBondContact N-O 2.81Å; D53-I271 HydrophobicContact CB-CB 4.17Å; D53-I271 HydrophobicContact CB-CD1 3.84Å; D53-I271 HydrophobicContact CB-CG2 3.95Å; D53-I271 VanDerWaalsContact CG-CD1 3.46Å; Q193-I271 HydrophobicContact CG-CD1 4.28Å; V217-I271 HydrophobicContact CG1-CD1 4.03Å; V217-I271 HydrophobicContact CG1-CG1 4.09Å; V217-I271 HydrophobicContact CG1-CG2 4.09Å; I271-K273 PolarHBondContact O-N 3.13Å
272P98.8Very high98.4Very high1 Ų137.8 Ų37.81%0.00619%0.187CC..  trans-58.6136.2177.925-34.5000110.9F21 G22 G24 P221 L222 L260 N283F21-P272 HydrophobicContact CE1-CG 3.63Å; F21-P272 HydrophobicContact CE2-CG 4.15Å; F21-P272 HydrophobicContact CZ-CG 3.36Å; G22-P272 VanDerWaalsContact O-CD 3.27Å; G22-P272 WeakPolarHBondContact O-CD 3.45Å; G24-P272 PolarHBondContact N-O 3.07Å; G24-P272 VanDerWaalsContact N-O 3.1Å; P221-P272 HydrophobicContact CG-CB 4.04Å; L222-P272 HydrophobicContact CD1-CB 3.76Å; L222-P272 HydrophobicContact CG-CB 4.08Å; L260-P272 HydrophobicContact CD1-CB 4.33Å; L260-P272 HydrophobicContact CD1-CG 4.08Å; L260-P272 HydrophobicContact CD2-CB 3.87Å; L260-P272 HydrophobicContact CD2-CG 3.66Å; P272-N283 HydrophobicContact CG-CB 4.49Å
273K98.5Very high98.4Very high83 Ų8338.1 Ų38.136%0.36119%0.188SC..BIsolated β-bridgetrans-94.2132.3172.6-175.9-99.1175.1149.70110.5G24 Y26 I271 F275G24-K273 WeakPolarHBondContact O-CA 3.48Å; G24-K273 WeakPolarHBondContact O-CB 3.4Å; G24-K273 WeakPolarHBondContact O-CG 3.5Å; Y26-K273 VanDerWaalsContact O-CD 3.25Å; Y26-K273 WeakPolarHBondContact O-CD 3.43Å; Y26-K273 WeakPolarHBondContact O-CE 3.4Å; Y26-K273 WeakPolarHBondContact O-CG 3.29Å; Y26-K273 PolarHBondContact O-NZ 3.15Å; I271-K273 PolarHBondContact O-N 3.13Å; K273-F275 VanDerWaalsContact CE-CD2 3.41Å; K273-F275 VanDerWaalsContact CE-CE2 3.48Å
274S98.1Very high98.4Very high5 Ų538.4 Ų38.44%0.03519%0.19CC..  trans-149.4139.7163.5178.20000109.8S276 R279 I280S274-S276 PolarHBondContact OG-N 3.17Å; S274-S276 VanDerWaalsContact OG-N 3.07Å; S274-S276 PolarHBondContact OG-O 3.02Å; S274-R279 VanDerWaalsContact OG-CB 3.24Å; S274-R279 WeakPolarHBondContact OG-CB 3.4Å; S274-I280 WeakPolarHBondContact O-CD1 3.19Å; S274-I280 WeakPolarHBondContact O-CG1 3.45Å
275F97.6Very high98.4Very high42 Ų4241.9 Ų41.918%0.18421%0.206CC..  trans-109.913167.7-68.3-22.1000112.7T25 T32 T36 A37 S40 K273T25-F275 WeakPolarHBondContact O-CZ 3.3Å; T32-F275 HydrophobicContact CG2-CD2 4.04Å; T32-F275 HydrophobicContact CG2-CE2 3.74Å; T36-F275 HydrophobicContact CG2-CB 3.51Å; T36-F275 HydrophobicContact CG2-CD1 4.28Å; T36-F275 HydrophobicContact CG2-CD2 3.3Å; T36-F275 HydrophobicContact CG2-CE2 4Å; T36-F275 HydrophobicContact CG2-CG 3.46Å; T36-F275 VanDerWaalsContact CG2-CG 3.46Å; A37-F275 HydrophobicContact CB-CE1 4.23Å; A37-F275 HydrophobicContact CB-CZ 3.96Å; S40-F275 VanDerWaalsContact CB-CD1 3.49Å; S40-F275 WeakPolarHBondContact OG-CA 3.42Å; S40-F275 WeakPolarHBondContact OG-CD1 3.38Å; K273-F275 VanDerWaalsContact CE-CD2 3.41Å; K273-F275 VanDerWaalsContact CE-CE2 3.48Å
276S98Very high98.4Very high31 Ų3139.4 Ų39.422%0.21719%0.194CC..SBendtrans-99.2125.7169.3164.10000108.9S274 H278 R279 I280S274-S276 PolarHBondContact OG-N 3.17Å; S274-S276 VanDerWaalsContact OG-N 3.07Å; S274-S276 PolarHBondContact OG-O 3.02Å; S276-H278 PolarHBondContact O-N 3.42Å; S276-R279 VanDerWaalsContact CB-NH2 3.33Å; S276-R279 PolarHBondContact O-N 2.94Å; S276-I280 VanDerWaalsContact O-CG1 3.29Å; S276-I280 WeakPolarHBondContact O-CG1 3.36Å; S276-I280 PolarHBondContact O-N 3.31Å
277T97.4Very high98.4Very high90 Ų9039.3 Ų39.355%0.55220%0.195SC*.Hα-helixtrans-53.8-49.3179.849.90000112.3H43 R279 I280 K281H43-T277 PolarHBondContact NE2-O 3.27Å; T277-R279 PolarHBondContact O-N 2.67Å; T277-I280 PolarHBondContact O-N 2.81Å; T277-K281 PolarHBondContact O-N 3.19Å
278H98.2Very high98.4Very high119 Ų11942.6 Ų42.655%0.55120%0.204SC*.Hα-helixtrans-58.7-47.1177176.225.7000112.4S276 I280 K281 D282S276-H278 PolarHBondContact O-N 3.42Å; H278-I280 PolarHBondContact O-N 2.83Å; H278-K281 PolarHBondContact O-N 2.95Å; H278-D282 IonicContact CE1-OD1 2.69Å; H278-D282 PolarHBondContact CE1-OD1 3.27Å; H278-D282 IonicContact CE1-OD2 2.68Å; H278-D282 PolarHBondContact CE1-OD2 2.99Å; H278-D282 IonicContact ND1-OD1 2.99Å; H278-D282 PolarHBondContact ND1-OD1 2.94Å; H278-D282 IonicContact ND1-OD2 3.37Å; H278-D282 PolarHBondContact ND1-OD2 2.95Å; H278-D282 IonicContact NE2-OD2 2.67Å; H278-D282 PolarHBondContact O-N 3.41Å
279R98.6Very high98.4Very high143 Ų14343.7 Ų43.754%0.5421%0.209SC..Hα-helixtrans-68.5-33.4179.1-71.9-167.1-61.2-92.16.1113S274 S276 T277 K281 D282 N283S274-R279 VanDerWaalsContact OG-CB 3.24Å; S274-R279 WeakPolarHBondContact OG-CB 3.4Å; S276-R279 VanDerWaalsContact CB-NH2 3.33Å; S276-R279 PolarHBondContact O-N 2.94Å; T277-R279 PolarHBondContact O-N 2.67Å; R279-K281 VanDerWaalsContact C-N 3.32Å; R279-D282 PolarHBondContact O-N 2.87Å; R279-N283 WeakPolarHBondContact O-CB 3.22Å; R279-N283 PolarHBondContact O-N 3.37Å; R279-N283 PolarHBondContact O-ND2 2.84Å; R279-N283 PolarHBondContact O-OD1 3.16Å
280I98.8Very high98.3Very high0 Ų046.9 Ų46.90%023%0.231CC..Hα-helixtrans-59.6-47.2173-70.8165.4000109.5L23 A44 V47 Y49 S274 S276 T277 H278L23-I280 HydrophobicContact CD1-CG1 4.38Å; A44-I280 HydrophobicContact CB-CG2 3.81Å; V47-I280 HydrophobicContact CG2-CG2 4.48Å; Y49-I280 HydrophobicContact CD2-CG2 4.49Å; Y49-I280 HydrophobicContact CE2-CG2 3.8Å; Y49-I280 WeakPolarHBondContact CE2-O 3.19Å; Y49-I280 PolarHBondContact OH-O 3.46Å; S274-I280 WeakPolarHBondContact O-CD1 3.19Å; S274-I280 WeakPolarHBondContact O-CG1 3.45Å; S276-I280 VanDerWaalsContact O-CG1 3.29Å; S276-I280 WeakPolarHBondContact O-CG1 3.36Å; S276-I280 PolarHBondContact O-N 3.31Å; T277-I280 PolarHBondContact O-N 2.81Å; H278-I280 PolarHBondContact O-N 2.83Å
281K98.6Very high98.3Very high117 Ų11747.1 Ų47.151%0.50923%0.232SC..Hα-helixtrans-61.4-51.9176.3-173.7177.5179.6179.10111.5V47 T277 H278 R279 N283 F284 Q285V47-K281 HydrophobicContact CG2-CB 4.23Å; V47-K281 HydrophobicContact CG2-CG 4.48Å; T277-K281 PolarHBondContact O-N 3.19Å; H278-K281 PolarHBondContact O-N 2.95Å; R279-K281 VanDerWaalsContact C-N 3.32Å; K281-N283 PolarHBondContact O-N 3Å; K281-F284 PolarHBondContact O-N 3.03Å; K281-F284 VanDerWaalsContact O-N 3.15Å; K281-Q285 WeakPolarHBondContact O-CG 3.4Å; K281-Q285 PolarHBondContact O-N 3.09Å
282D98.4Very high98.3Very high36 Ų3649.7 Ų49.719%0.19325%0.248CC..Hα-helixtrans-59.1-45.5-177.4-77.412.4000112.5Q257 H278 R279 F284 Q285Q257-D282 WeakPolarHBondContact CG-O 3.09Å; Q257-D282 PolarHBondContact NE2-O 3.27Å; H278-D282 IonicContact CE1-OD1 2.69Å; H278-D282 PolarHBondContact CE1-OD1 3.27Å; H278-D282 IonicContact CE1-OD2 2.68Å; H278-D282 PolarHBondContact CE1-OD2 2.99Å; H278-D282 IonicContact ND1-OD1 2.99Å; H278-D282 PolarHBondContact ND1-OD1 2.94Å; H278-D282 IonicContact ND1-OD2 3.37Å; H278-D282 PolarHBondContact ND1-OD2 2.95Å; H278-D282 IonicContact NE2-OD2 2.67Å; H278-D282 PolarHBondContact O-N 3.41Å; R279-D282 PolarHBondContact O-N 2.87Å; D282-F284 PolarHBondContact O-N 2.78Å; D282-F284 VanDerWaalsContact O-N 3.15Å; D282-Q285 PolarHBondContact O-N 3.48Å
283N98.8Very high98.3Very high7 Ų756 Ų564%0.03728%0.278CS..Hα-helixtrans-57-31.8-179.8-75.5-8.2000111.9F21 L260 P272 R279 K281 I286F21-N283 VanDerWaalsContact CE2-O 3.29Å; F21-N283 WeakPolarHBondContact CE2-O 3.32Å; F21-N283 HydrophobicContact CZ-CB 4.03Å; F21-N283 WeakPolarHBondContact CZ-O 3.49Å; L260-N283 HydrophobicContact CD1-CB 3.98Å; P272-N283 HydrophobicContact CG-CB 4.49Å; R279-N283 WeakPolarHBondContact O-CB 3.22Å; R279-N283 PolarHBondContact O-N 3.37Å; R279-N283 PolarHBondContact O-ND2 2.84Å; R279-N283 PolarHBondContact O-OD1 3.16Å; K281-N283 PolarHBondContact O-N 3Å; N283-I286 WeakPolarHBondContact O-CG2 3.17Å
284F98.7Very high98.3Very high6 Ų657.7 Ų57.73%0.02629%0.291CS..Hα-helixtrans-80.2-18.2179.7-162.2-113.6000113.9A5 H8 F21 V47 G48 Y49 K281 D282 I286 F287A5-F284 HydrophobicContact CB-CE1 4.03Å; A5-F284 HydrophobicContact CB-CZ 4.5Å; H8-F284 AromaticContact CE1-CZ 3.92Å; F21-F284 AromaticContact CD1-CD2 3.85Å; F21-F284 HydrophobicContact CD1-CD2 3.85Å; F21-F284 HydrophobicContact CD1-CE2 4.39Å; F21-F284 HydrophobicContact CE1-CD2 4.22Å; F21-F284 HydrophobicContact CG-CD2 4.36Å; V47-F284 HydrophobicContact CG1-CB 3.8Å; V47-F284 HydrophobicContact CG1-CD1 3.79Å; V47-F284 HydrophobicContact CG1-CG 3.95Å; G48-F284 WeakPolarHBondContact O-CZ 3.26Å; Y49-F284 HydrophobicContact CD2-CB 4.36Å; Y49-F284 AromaticContact CD2-CD2 3.78Å; Y49-F284 HydrophobicContact CD2-CD2 3.78Å; Y49-F284 HydrophobicContact CD2-CE2 4.28Å; Y49-F284 HydrophobicContact CD2-CG 4.11Å; Y49-F284 HydrophobicContact CE2-CB 3.58Å; Y49-F284 AromaticContact CE2-CD2 3.7Å; Y49-F284 HydrophobicContact CE2-CD2 3.7Å; Y49-F284 AromaticContact CE2-CG 3.81Å; Y49-F284 HydrophobicContact CE2-CG 3.81Å; Y49-F284 HydrophobicContact CG-CD2 4.23Å; Y49-F284 HydrophobicContact CG-CE2 4.47Å; K281-F284 PolarHBondContact O-N 3.03Å; K281-F284 VanDerWaalsContact O-N 3.15Å; D282-F284 PolarHBondContact O-N 2.78Å; D282-F284 VanDerWaalsContact O-N 3.15Å; F284-I286 PolarHBondContact O-N 2.64Å; F284-F287 HydrophobicContact CD2-CE2 4.17Å; F284-F287 AromaticContact CE2-CE2 3.85Å; F284-F287 HydrophobicContact CE2-CE2 3.85Å; F284-F287 HydrophobicContact CZ-CE2 4.06Å; F284-F287 WeakPolarHBondContact O-CD2 3.47Å
285Q98.4Very high98.3Very high75 Ų7558.2 Ų58.235%0.3529%0.293SS..  trans-79.457.8-178.8-56.4-56.8-53.900112K253 K281 D282K253-Q285 PolarHBondContact NZ-O 3.46Å; K281-Q285 WeakPolarHBondContact O-CG 3.4Å; K281-Q285 PolarHBondContact O-N 3.09Å; D282-Q285 PolarHBondContact O-N 3.48Å
286I98.4Very high98.4Very high0 Ų057.2 Ų57.20%029%0.289CS..  trans-119.54.3-17964147.8000113.8F21 Q257 L260 R261 V264 N283 F284 F289F21-I286 HydrophobicContact CD2-CD1 3.46Å; F21-I286 VanDerWaalsContact CD2-CD1 3.46Å; F21-I286 HydrophobicContact CD2-CG1 4.1Å; F21-I286 HydrophobicContact CE2-CD1 3.6Å; F21-I286 HydrophobicContact CE2-CG1 4.03Å; Q257-I286 HydrophobicContact CB-CG2 4Å; Q257-I286 HydrophobicContact CG-CG2 4.14Å; L260-I286 HydrophobicContact CB-CD1 4.46Å; L260-I286 HydrophobicContact CB-CG2 4.17Å; R261-I286 HydrophobicContact CB-CB 4.43Å; R261-I286 WeakPolarHBondContact CD-O 3.19Å; R261-I286 PolarHBondContact NH1-O 3.14Å; V264-I286 HydrophobicContact CB-CD1 4.02Å; V264-I286 HydrophobicContact CG1-CD1 4.17Å; V264-I286 HydrophobicContact CG2-CD1 3.7Å; N283-I286 WeakPolarHBondContact O-CG2 3.17Å; F284-I286 PolarHBondContact O-N 2.64Å; I286-F289 HydrophobicContact CB-CE1 4.34Å; I286-F289 HydrophobicContact CG2-CE1 4.48Å
287F98.1Very high98.4Very high27 Ų2761.9 Ų61.912%0.11831%0.305CS..SBendtrans-101-7.9-177.7-59.8-69.4000113.2L3 A5 H8 F21 V264 F284L3-F287 HydrophobicContact CB-CD1 4.07Å; L3-F287 HydrophobicContact CB-CE1 4.26Å; A5-F287 HydrophobicContact CB-CD2 4.24Å; H8-F287 HydrophobicContact CB-CD1 4.36Å; H8-F287 HydrophobicContact CB-CE1 3.51Å; H8-F287 HydrophobicContact CB-CZ 3.65Å; H8-F287 AromaticContact CG-CZ 3.64Å; F21-F287 HydrophobicContact CB-CZ 4.06Å; V264-F287 HydrophobicContact CG1-CE1 4.25Å; F284-F287 HydrophobicContact CD2-CE2 4.17Å; F284-F287 AromaticContact CE2-CE2 3.85Å; F284-F287 HydrophobicContact CE2-CE2 3.85Å; F284-F287 HydrophobicContact CZ-CE2 4.06Å; F284-F287 WeakPolarHBondContact O-CD2 3.47Å
288D97.3Very high98.5Very high105 Ų10559.8 Ų59.856%0.56130%0.297SS*.SBendtrans-95.44-18065.3-29.5000113.6K253K253-D288 WeakPolarHBondContact CE-OD1 3.28Å; K253-D288 IonicContact NZ-OD1 2.57Å; K253-D288 PolarHBondContact NZ-OD1 2.94Å; K253-D288 IonicContact NZ-OD2 3.27Å; K253-D288 PolarHBondContact NZ-OD2 3.21Å
289F98.2Very high98.5Very high22 Ų2254.1 Ų54.110%0.09627%0.271CS..  trans-146.9166.2172.680.8-73.3000111.4Y251 K253 R261 I286 L291Y251-F289 HydrophobicContact CD1-CB 4.14Å; Y251-F289 AromaticContact CD1-CD2 3.91Å; Y251-F289 HydrophobicContact CD1-CD2 3.91Å; Y251-F289 HydrophobicContact CD1-CG 4.43Å; Y251-F289 AromaticContact CD2-CD2 3.96Å; Y251-F289 HydrophobicContact CD2-CD2 3.96Å; Y251-F289 HydrophobicContact CD2-CE2 4.17Å; Y251-F289 HydrophobicContact CE1-CD2 4.39Å; Y251-F289 HydrophobicContact CE2-CD2 4.43Å; Y251-F289 AromaticContact CG-CD2 3.69Å; Y251-F289 HydrophobicContact CG-CD2 3.69Å; Y251-F289 HydrophobicContact CG-CE2 4.25Å; Y251-F289 HydrophobicContact CG-CG 4.41Å; K253-F289 HydrophobicContact CD-CD1 4.2Å; K253-F289 HydrophobicContact CD-CE1 4.07Å; K253-F289 HydrophobicContact CG-CD1 4.12Å; K253-F289 HydrophobicContact CG-CE1 3.91Å; K253-F289 HydrophobicContact CG-CZ 4.15Å; R261-F289 HydrophobicContact CB-CE1 4.15Å; R261-F289 HydrophobicContact CB-CE2 4.09Å; R261-F289 HydrophobicContact CB-CZ 3.54Å; R261-F289 HydrophobicContact CG-CD2 4.49Å; R261-F289 HydrophobicContact CG-CE1 4.29Å; R261-F289 HydrophobicContact CG-CE2 3.86Å; R261-F289 HydrophobicContact CG-CZ 3.75Å; R261-F289 PolarHBondContact NE-O 3.22Å; R261-F289 PolarHBondContact NH1-O 3.11Å; R261-F289 VanDerWaalsContact NH1-O 3.14Å; I286-F289 HydrophobicContact CB-CE1 4.34Å; I286-F289 HydrophobicContact CG2-CE1 4.48Å; F289-L291 HydrophobicContact CE2-CD2 4.14Å; F289-L291 HydrophobicContact CE2-CG 4.42Å
290S98.3Very high98.5Very high67 Ų6751.7 Ų51.747%0.46927%0.265SS..  trans-135.6147.6173.857.10000110.5Y251Y251-S290 PolarHBondContact OH-O 2.84Å
291L98.7Very high98.5Very high5 Ų554.8 Ų54.83%0.02630%0.297CS..  trans-80.8139.6171.7-63.3165.7000108.8I247 Y251 V258 R261 F262 Q265 F289 E295 M296 I299I247-L291 HydrophobicContact CG2-CD2 3.57Å; Y251-L291 HydrophobicContact CE2-CD2 4.25Å; V258-L291 HydrophobicContact CG1-CD2 4.2Å; R261-L291 HydrophobicContact CB-CD1 4.22Å; R261-L291 HydrophobicContact CG-CD1 3.92Å; R261-L291 HydrophobicContact CG-CG 3.89Å; F262-L291 HydrophobicContact CB-CD1 3.92Å; Q265-L291 PolarHBondContact NE2-O 3.29Å; F289-L291 HydrophobicContact CE2-CD2 4.14Å; F289-L291 HydrophobicContact CE2-CG 4.42Å; L291-E295 HydrophobicContact CB-CB 4.23Å; L291-E295 HydrophobicContact CD2-CB 4.25Å; L291-M296 HydrophobicContact CB-CG 3.91Å; L291-M296 HydrophobicContact CB-SD 3.77Å; L291-M296 HydrophobicContact CD1-SD 3.63Å; L291-M296 HydrophobicContact CG-SD 4.35Å; L291-I299 HydrophobicContact CD1-CD1 3.71Å; L291-I299 HydrophobicContact CD2-CD1 4.17Å
292T98.6Very high98.5Very high62 Ų6250.3 Ų50.338%0.3828%0.279SS..  trans-69.4163.1170.459.20000110.6D294 E295 M296T292-D294 PolarHBondContact O-N 3.43Å; T292-E295 PolarHBondContact N-OE2 3.02Å; T292-E295 PolarHBondContact O-N 2.87Å; T292-E295 WeakPolarHBondContact OG1-CB 3.24Å; T292-E295 VanDerWaalsContact OG1-CG 3.22Å; T292-E295 WeakPolarHBondContact OG1-CG 3.38Å; T292-E295 PolarHBondContact OG1-N 3.14Å; T292-E295 PolarHBondContact OG1-OE2 3.06Å; T292-M296 WeakPolarHBondContact O-CG 3.48Å; T292-M296 PolarHBondContact O-N 3.13Å
293E98.5Very high98.5Very high134 Ų13450.9 Ų50.963%0.62628%0.282SS*.Hα-helixtrans-57.8-37.8176.2-68.4-58.1133.600112.4M296 K297E293-M296 PolarHBondContact O-N 2.78Å; E293-K297 VanDerWaalsContact O-CG 3.32Å; E293-K297 WeakPolarHBondContact O-CG 3.43Å; E293-K297 PolarHBondContact O-N 3.34Å
294D98.8Very high98.4Very high119 Ų11954.4 Ų54.464%0.63630%0.297SS*.Hα-helixtrans-70.1-37178.1-65.9-23.8000112T292 K297 A298T292-D294 PolarHBondContact O-N 3.43Å; D294-K297 PolarHBondContact O-N 3.33Å; D294-A298 WeakPolarHBondContact O-CB 3.46Å; D294-A298 PolarHBondContact O-N 3.15Å
295E98.8Very high98.3Very high16 Ų1659.1 Ų59.18%0.07532%0.323CS..Hα-helixtrans-68.1-39.8173.3-72.9162.4164.600111.8I247 K250 Y251 L291 T292 K297 A298 I299I247-E295 HydrophobicContact CD1-CB 4.05Å; I247-E295 HydrophobicContact CD1-CG 4.07Å; I247-E295 HydrophobicContact CG1-CG 4.18Å; I247-E295 HydrophobicContact CG2-CG 4.49Å; K250-E295 VanDerWaalsContact CD-OE1 3.28Å; K250-E295 WeakPolarHBondContact CD-OE1 3.26Å; K250-E295 WeakPolarHBondContact CE-OE1 3.36Å; K250-E295 IonicContact NZ-OE1 2.87Å; K250-E295 PolarHBondContact NZ-OE1 3.35Å; Y251-E295 WeakPolarHBondContact CE2-OE1 3.47Å; Y251-E295 VanDerWaalsContact OH-CD 3.28Å; Y251-E295 PolarHBondContact OH-OE1 3.3Å; Y251-E295 VanDerWaalsContact OH-OE1 3.13Å; Y251-E295 PolarHBondContact OH-OE2 3.3Å; L291-E295 HydrophobicContact CB-CB 4.23Å; L291-E295 HydrophobicContact CD2-CB 4.25Å; T292-E295 PolarHBondContact N-OE2 3.02Å; T292-E295 PolarHBondContact O-N 2.87Å; T292-E295 WeakPolarHBondContact OG1-CB 3.24Å; T292-E295 VanDerWaalsContact OG1-CG 3.22Å; T292-E295 WeakPolarHBondContact OG1-CG 3.38Å; T292-E295 PolarHBondContact OG1-N 3.14Å; T292-E295 PolarHBondContact OG1-OE2 3.06Å; E295-K297 VanDerWaalsContact C-N 3.33Å; E295-K297 PolarHBondContact O-N 2.99Å; E295-A298 PolarHBondContact O-N 2.95Å; E295-I299 WeakPolarHBondContact O-CD1 3.38Å; E295-I299 VanDerWaalsContact O-CG1 3.22Å; E295-I299 WeakPolarHBondContact O-CG1 3.22Å; E295-I299 PolarHBondContact O-N 3.24Å
296M98.8Very high98Very high21 Ų2158.9 Ų58.910%0.10332%0.323CS..Hα-helixtrans-59-45.7173.5-73.3-63.4-70.900111F262 Q265 R266 L291 T292 E293 I299 E300F262-M296 HydrophobicContact CD2-CE 3.72Å; F262-M296 HydrophobicContact CD2-SD 3.78Å; F262-M296 HydrophobicContact CE2-CE 4.07Å; F262-M296 WeakPolarHBondContact O-CE 3.2Å; Q265-M296 HydrophobicContact CB-CE 4.25Å; Q265-M296 HydrophobicContact CB-SD 4.31Å; Q265-M296 HydrophobicContact CG-CE 4.47Å; Q265-M296 HydrophobicContact CG-SD 4.42Å; R266-M296 HydrophobicContact CB-CE 3.97Å; L291-M296 HydrophobicContact CB-CG 3.91Å; L291-M296 HydrophobicContact CB-SD 3.77Å; L291-M296 HydrophobicContact CD1-SD 3.63Å; L291-M296 HydrophobicContact CG-SD 4.35Å; T292-M296 WeakPolarHBondContact O-CG 3.48Å; T292-M296 PolarHBondContact O-N 3.13Å; E293-M296 PolarHBondContact O-N 2.78Å; M296-I299 PolarHBondContact O-N 3.35Å; M296-E300 WeakPolarHBondContact O-CB 3.46Å; M296-E300 PolarHBondContact O-N 3.07Å
297K98.8Very high97.9Very high128 Ų12860.3 Ų60.356%0.55733%0.328SS*.Hα-helixtrans-64.9-41.4175.6-71.8170.6-171.8168.30112.5E293 D294 E295 I299 E300 G301E293-K297 VanDerWaalsContact O-CG 3.32Å; E293-K297 WeakPolarHBondContact O-CG 3.43Å; E293-K297 PolarHBondContact O-N 3.34Å; D294-K297 PolarHBondContact O-N 3.33Å; E295-K297 VanDerWaalsContact C-N 3.33Å; E295-K297 PolarHBondContact O-N 2.99Å; K297-I299 VanDerWaalsContact C-N 3.34Å; K297-I299 PolarHBondContact O-N 2.93Å; K297-E300 PolarHBondContact O-N 3.06Å; K297-G301 PolarHBondContact O-N 2.75Å
298A98.8Very high97.9Very high46 Ų4659 Ų5938%0.3832%0.323SS..Hα-helixtrans-61.3-43.8177.800000111.4V243 D294 E295 G301V243-A298 HydrophobicContact CG1-CB 4.16Å; D294-A298 WeakPolarHBondContact O-CB 3.46Å; D294-A298 PolarHBondContact O-N 3.15Å; E295-A298 PolarHBondContact O-N 2.95Å; A298-G301 PolarHBondContact O-N 2.93Å
299I98.8Very high98Very high0 Ų054.6 Ų54.60%030%0.299CS..Hα-helixtrans-69.8-39.1177.2-62.8164.7000111.1P198 V243 L244 I247 V258 F262 L291 E295 M296 K297 G301 L302P198-I299 HydrophobicContact CB-CG2 3.68Å; P198-I299 HydrophobicContact CG-CG2 3.6Å; V243-I299 HydrophobicContact CG1-CG1 4.48Å; L244-I299 HydrophobicContact CD2-CD1 4.33Å; L244-I299 HydrophobicContact CD2-CG1 4.04Å; L244-I299 HydrophobicContact CD2-CG2 4.09Å; I247-I299 HydrophobicContact CD1-CD1 3.77Å; I247-I299 HydrophobicContact CD1-CG1 3.68Å; V258-I299 HydrophobicContact CG1-CD1 3.64Å; F262-I299 HydrophobicContact CB-CD1 4.29Å; F262-I299 HydrophobicContact CB-CG2 4Å; F262-I299 HydrophobicContact CD1-CG2 3.88Å; F262-I299 HydrophobicContact CD2-CB 3.82Å; F262-I299 HydrophobicContact CD2-CD1 4.46Å; F262-I299 HydrophobicContact CD2-CG2 3.5Å; F262-I299 HydrophobicContact CE1-CG2 4.2Å; F262-I299 HydrophobicContact CE2-CB 4.1Å; F262-I299 HydrophobicContact CE2-CG2 3.86Å; F262-I299 HydrophobicContact CG-CB 4.3Å; F262-I299 HydrophobicContact CG-CG2 3.51Å; F262-I299 HydrophobicContact CZ-CG2 4.18Å; L291-I299 HydrophobicContact CD1-CD1 3.71Å; L291-I299 HydrophobicContact CD2-CD1 4.17Å; E295-I299 WeakPolarHBondContact O-CD1 3.38Å; E295-I299 VanDerWaalsContact O-CG1 3.22Å; E295-I299 WeakPolarHBondContact O-CG1 3.22Å; E295-I299 PolarHBondContact O-N 3.24Å; M296-I299 PolarHBondContact O-N 3.35Å; K297-I299 VanDerWaalsContact C-N 3.34Å; K297-I299 PolarHBondContact O-N 2.93Å; I299-G301 VanDerWaalsContact C-N 3.27Å; I299-G301 PolarHBondContact O-N 3.01Å; I299-L302 HydrophobicContact CG2-CD1 4.44Å; I299-L302 VanDerWaalsContact O-CB 3.25Å; I299-L302 WeakPolarHBondContact O-CB 3.32Å; I299-L302 WeakPolarHBondContact O-CG 3.23Å; I299-L302 PolarHBondContact O-N 2.92Å; I299-L302 VanDerWaalsContact O-N 3.11Å
300E98.6Very high97.9Very high92 Ų9256.2 Ų56.243%0.4331%0.307SS..Hα-helixtrans-63.6-34.2174.9-174165-144.700112.1F262 M296 K297 L302 N303F262-E300 HydrophobicContact CE2-CB 4.13Å; F262-E300 HydrophobicContact CZ-CB 4.22Å; M296-E300 WeakPolarHBondContact O-CB 3.46Å; M296-E300 PolarHBondContact O-N 3.07Å; K297-E300 PolarHBondContact O-N 3.06Å; E300-L302 PolarHBondContact O-N 3.26Å; E300-N303 WeakPolarHBondContact O-CB 3.23Å; E300-N303 PolarHBondContact O-N 3.35Å
301G98.5Very high97.8Very high65 Ų6554 Ų5467%0.6729%0.29SS*.THydrogen-bonded Turntrans-66.1-10.5173.200000114.8K297 A298 I299 N303K297-G301 PolarHBondContact O-N 2.75Å; A298-G301 PolarHBondContact O-N 2.93Å; I299-G301 VanDerWaalsContact C-N 3.27Å; I299-G301 PolarHBondContact O-N 3.01Å; G301-N303 PolarHBondContact O-N 3.01Å
302L98.5Very high97.6Very high23 Ų2358.5 Ų58.512%0.1231%0.314CS..THydrogen-bonded Turntrans-76-6.9172.6-59.2178.2000113.1P198 Y199 D241 V243 L244 I299 E300 K304P198-L302 HydrophobicContact CB-CB 4.25Å; P198-L302 HydrophobicContact CB-CD1 4.02Å; P198-L302 CarbonylContact O-C 3.41Å; P198-L302 VanDerWaalsContact O-C 3.25Å; Y199-L302 HydrophobicContact CD1-CB 4.12Å; Y199-L302 WeakPolarHBondContact CD1-O 3.42Å; Y199-L302 HydrophobicContact CE1-CB 4.29Å; D241-L302 WeakPolarHBondContact OD1-CD1 3.42Å; V243-L302 HydrophobicContact CB-CD1 4.15Å; V243-L302 HydrophobicContact CB-CD2 4.01Å; V243-L302 HydrophobicContact CB-CG 4.5Å; V243-L302 HydrophobicContact CG1-CD1 4.36Å; V243-L302 HydrophobicContact CG2-CD2 3.87Å; L244-L302 HydrophobicContact CD2-CD1 4.18Å; L244-L302 HydrophobicContact CG-CD1 4.07Å; I299-L302 HydrophobicContact CG2-CD1 4.44Å; I299-L302 VanDerWaalsContact O-CB 3.25Å; I299-L302 WeakPolarHBondContact O-CB 3.32Å; I299-L302 WeakPolarHBondContact O-CG 3.23Å; I299-L302 PolarHBondContact O-N 2.92Å; I299-L302 VanDerWaalsContact O-N 3.11Å; E300-L302 PolarHBondContact O-N 3.26Å; L302-K304 WeakPolarHBondContact O-CG 3.47Å; L302-K304 PolarHBondContact O-N 3.18Å; L302-K304 VanDerWaalsContact O-N 3.15Å
303N98.4Very high97.5Very high49 Ų4959 Ų5926%0.26231%0.312SS..  trans-57.1121.2-177.6-173.150.3000111P198 Y199 F200 T201 E300 G301P198-N303 VanDerWaalsContact O-CA 3.3Å; P198-N303 WeakPolarHBondContact O-CA 3.23Å; P198-N303 PolarHBondContact O-N 2.83Å; P198-N303 VanDerWaalsContact O-N 3.16Å; Y199-N303 PolarHBondContact O-OD1 3.3Å; F200-N303 WeakPolarHBondContact CA-OD1 3.41Å; T201-N303 HydrophobicContact CG2-CB 3.78Å; T201-N303 PolarHBondContact N-OD1 3.03Å; T201-N303 VanDerWaalsContact OG1-CG 3.27Å; T201-N303 PolarHBondContact OG1-OD1 3.04Å; E300-N303 WeakPolarHBondContact O-CB 3.23Å; E300-N303 PolarHBondContact O-N 3.35Å; G301-N303 PolarHBondContact O-N 3.01Å
304K97.3Very high97.4Very high81 Ų8153.3 Ų53.335%0.35229%0.285SS..  trans-99.7-10178.4-59.2-173.1178.71760112.6Y199 L302 I306Y199-K304 HydrophobicContact CD1-CD 4.04Å; Y199-K304 HydrophobicContact CD1-CG 4.18Å; Y199-K304 HydrophobicContact CD2-CD 4.26Å; Y199-K304 HydrophobicContact CE1-CD 4.27Å; Y199-K304 HydrophobicContact CG-CD 4.02Å; Y199-K304 HydrophobicContact CG-CG 4.32Å; Y199-K304 PolarHBondContact O-N 3.18Å; Y199-K304 PolarHBondContact OH-NZ 3.29Å; Y199-K304 VanDerWaalsContact OH-NZ 3.17Å; L302-K304 WeakPolarHBondContact O-CG 3.47Å; L302-K304 PolarHBondContact O-N 3.18Å; L302-K304 VanDerWaalsContact O-N 3.15Å; K304-I306 HydrophobicContact CB-CB 4.37Å; K304-I306 HydrophobicContact CB-CD1 4.25Å; K304-I306 HydrophobicContact CB-CG1 4.34Å; K304-I306 WeakPolarHBondContact O-CG1 3.5Å; K304-I306 PolarHBondContact O-N 2.92Å
305D95.5Very high97.3Very high105 Ų10550.2 Ų50.256%0.56127%0.273SS*.SBendtrans55.829.2-171-148.533.4000112.9Y199 F200Y199-D305 PolarHBondContact O-N 3.07Å; F200-D305 WeakPolarHBondContact CE2-OD1 3.44Å
306I92.1Very high97.2Very high70 Ų7054.4 Ų54.436%0.35930%0.296SS..  trans-119.3127.8178-61.5165.6000108.6C235 K304C235-I306 WeakPolarHBondContact SG-CG2 3.38Å; K304-I306 HydrophobicContact CB-CB 4.37Å; K304-I306 HydrophobicContact CB-CD1 4.25Å; K304-I306 HydrophobicContact CB-CG1 4.34Å; K304-I306 WeakPolarHBondContact O-CG1 3.5Å; K304-I306 PolarHBondContact O-N 2.92Å
307R97.3Very high97.2Very high30 Ų3053.6 Ų53.611%0.11329%0.292CS..  trans-81.5138.6174.2-64.1169.8-171.2-93.31.6110.2E195 F200 V309 E310 F322E195-R307 VanDerWaalsContact OE1-CA 3.31Å; E195-R307 WeakPolarHBondContact OE1-CA 3.41Å; E195-R307 WeakPolarHBondContact OE2-CB 3.35Å; F200-R307 HydrophobicContact CD1-CG 3.93Å; F200-R307 HydrophobicContact CD2-CG 4.17Å; F200-R307 HydrophobicContact CE1-CG 3.61Å; F200-R307 HydrophobicContact CE2-CG 3.91Å; F200-R307 HydrophobicContact CG-CG 4.21Å; F200-R307 HydrophobicContact CZ-CG 3.63Å; R307-V309 VanDerWaalsContact C-N 3.35Å; R307-E310 HydrophobicContact CB-CG 4.07Å; R307-F322 VanDerWaalsContact NH1-CE1 3.31Å
308F98Very high97.2Very high0 Ų052.9 Ų52.90%030%0.3CS..SBendtrans-71.8-33.1158.4-74.7-51.5000111.2E195 H197 Y199 G223 T224 V231 N232 C235 P236 L238E195-F308 PolarHBondContact OE1-N 3.25Å; E195-F308 PolarHBondContact OE2-N 3.4Å; H197-F308 AromaticContact CE1-CD2 3.54Å; H197-F308 AromaticContact CE1-CE2 3.76Å; H197-F308 AromaticContact NE2-CD2 3.35Å; H197-F308 VanDerWaalsContact NE2-CD2 3.35Å; H197-F308 WeakPolarHBondContact NE2-CD2 3.06Å; H197-F308 AromaticContact NE2-CE2 3.92Å; Y199-F308 HydrophobicContact CD2-CE2 4.4Å; Y199-F308 HydrophobicContact CD2-CZ 4.03Å; G223-F308 VanDerWaalsContact CA-CE2 3.44Å; T224-F308 HydrophobicContact CG2-CB 3.55Å; T224-F308 HydrophobicContact CG2-CD2 4.26Å; T224-F308 HydrophobicContact CG2-CG 4.15Å; V231-F308 CarbonylContact C-O 3.41Å; V231-F308 WeakPolarHBondContact CA-O 3.44Å; V231-F308 HydrophobicContact CG1-CB 4.06Å; V231-F308 HydrophobicContact CG1-CD1 4.03Å; V231-F308 HydrophobicContact CG1-CG 4.35Å; N232-F308 PolarHBondContact N-O 2.77Å; C235-F308 HydrophobicContact CB-CD1 3.85Å; C235-F308 HydrophobicContact CB-CE1 3.25Å; C235-F308 HydrophobicContact CB-CZ 4Å; P236-F308 WeakPolarHBondContact O-CZ 3.43Å; L238-F308 HydrophobicContact CB-CE2 4.19Å; L238-F308 HydrophobicContact CB-CZ 4.41Å
309V97.8Very high97.1Very high11 Ų1152 Ų527%0.06729%0.288CS..  trans-11083-175.6-166.70000109.5E195 Y219 T224 W230 R307 L311E195-V309 WeakPolarHBondContact OE2-CA 3.5Å; E195-V309 VanDerWaalsContact OE2-CB 3.28Å; E195-V309 WeakPolarHBondContact OE2-CB 3.46Å; E195-V309 PolarHBondContact OE2-N 3.2Å; Y219-V309 HydrophobicContact CE2-CB 4.15Å; Y219-V309 HydrophobicContact CE2-CG1 4.47Å; Y219-V309 HydrophobicContact CE2-CG2 3.94Å; T224-V309 HydrophobicContact CG2-CG2 3.84Å; W230-V309 HydrophobicContact CE3-CG1 4.31Å; W230-V309 HydrophobicContact CE3-CG2 4.03Å; W230-V309 HydrophobicContact CZ3-CG2 3.59Å; R307-V309 VanDerWaalsContact C-N 3.35Å; V309-L311 HydrophobicContact CG1-CD2 3.81Å; V309-L311 HydrophobicContact CG1-CG 3.96Å
310E97.1Very high97.1Very high56 Ų5652.8 Ų52.826%0.26229%0.291SS..  trans-84.7-25.6-177.2-64.5177.4133.500112.6N232 R307 L312 Y320 F322N232-E310 HydrophobicContact CB-CG 4.32Å; N232-E310 WeakPolarHBondContact CB-OE2 3.49Å; N232-E310 VanDerWaalsContact ND2-CD 3.34Å; N232-E310 PolarHBondContact ND2-OE1 2.91Å; N232-E310 PolarHBondContact ND2-OE2 2.76Å; R307-E310 HydrophobicContact CB-CG 4.07Å; E310-L312 HydrophobicContact CB-CD1 4.44Å; E310-L312 HydrophobicContact CB-CD2 3.86Å; E310-L312 HydrophobicContact CB-CG 3.7Å; E310-L312 PolarHBondContact O-N 2.92Å; E310-Y320 WeakPolarHBondContact O-CE2 3.41Å; E310-Y320 PolarHBondContact O-OH 3.21Å; E310-F322 WeakPolarHBondContact O-CD2 3.42Å
311L95.9Very high97.1Very high21 Ų2148.5 Ų48.511%0.1127%0.272CS..  trans5336.5-177.8-52.7175.2000113.5M121 V309 M313 W314 Y320 F322M121-L311 HydrophobicContact CE-CD1 3.33Å; M121-L311 HydrophobicContact SD-CD1 3.71Å; V309-L311 HydrophobicContact CG1-CD2 3.81Å; V309-L311 HydrophobicContact CG1-CG 3.96Å; L311-M313 WeakPolarHBondContact CA-SD 3.42Å; L311-M313 HydrophobicContact CB-SD 4.1Å; L311-M313 HydrophobicContact CD2-SD 4.35Å; L311-M313 PolarHBondContact O-N 2.87Å; L311-W314 HydrophobicContact CB-CE3 4.07Å; L311-W314 HydrophobicContact CD1-CE3 4.12Å; L311-W314 HydrophobicContact CD1-CZ3 3.98Å; L311-W314 HydrophobicContact CD2-CE3 4.41Å; L311-W314 HydrophobicContact CD2-CZ3 4.05Å; L311-W314 HydrophobicContact CG-CE3 4.43Å; L311-W314 HydrophobicContact CG-CZ3 4.41Å; L311-W314 PolarHBondContact O-N 3.14Å; L311-Y320 HydrophobicContact CB-CE2 4.33Å; L311-F322 HydrophobicContact CB-CE2 4.31Å; L311-F322 HydrophobicContact CD1-CE2 3.89Å; L311-F322 HydrophobicContact CD1-CZ 4.27Å; L311-F322 HydrophobicContact CG-CE2 4.16Å
312L95.6Very high97.1Very high100 Ų10046.9 Ų46.952%0.52425%0.246SC..G310 helixtrans-57.2-24.8-175.2-63.1180000113.8E310 W314 S315E310-L312 HydrophobicContact CB-CD1 4.44Å; E310-L312 HydrophobicContact CB-CD2 3.86Å; E310-L312 HydrophobicContact CB-CG 3.7Å; E310-L312 PolarHBondContact O-N 2.92Å; L312-W314 PolarHBondContact O-N 2.63Å; L312-W314 VanDerWaalsContact O-N 3.15Å; L312-S315 VanDerWaalsContact O-CB 3.31Å; L312-S315 WeakPolarHBondContact O-CB 3.47Å; L312-S315 PolarHBondContact O-N 3.15Å; L312-S315 VanDerWaalsContact O-N 3.11Å; L312-S315 PolarHBondContact O-OG 2.6Å
313M95.7Very high96.9Very high72 Ų7252 Ų5236%0.35527%0.273SS..G310 helixtrans-64.8-12.5176.475.5-70.1-72.800113.8Y140 L311Y140-M313 WeakPolarHBondContact CD2-O 3.26Å; Y140-M313 HydrophobicContact CE2-CB 3.9Å; Y140-M313 HydrophobicContact CE2-CG 3.78Å; Y140-M313 WeakPolarHBondContact CE2-O 3.49Å; L311-M313 WeakPolarHBondContact CA-SD 3.42Å; L311-M313 HydrophobicContact CB-SD 4.1Å; L311-M313 HydrophobicContact CD2-SD 4.35Å; L311-M313 PolarHBondContact O-N 2.87Å
314W97.1Very high96.6Very high14 Ų1453.1 Ų53.15%0.05328%0.279CS..G310 helixtrans-117.214.9175-54-34.7000113W89 M121 F125 Y132 Y140 Y142 L311 L312 D316 H317 Y320W89-W314 AromaticContact CH2-CH2 3.83Å; W89-W314 HydrophobicContact CH2-CH2 3.83Å; W89-W314 HydrophobicContact CZ2-CH2 4.27Å; M121-W314 HydrophobicContact CE-CE3 4.33Å; M121-W314 HydrophobicContact CE-CZ3 4.35Å; M121-W314 HydrophobicContact CG-CZ3 4.39Å; F125-W314 HydrophobicContact CE2-CD2 4.43Å; F125-W314 AromaticContact CE2-CE2 3.82Å; F125-W314 AromaticContact CE2-CZ2 3.92Å; F125-W314 HydrophobicContact CE2-CZ2 3.92Å; F125-W314 AromaticContact CE2-NE1 3.86Å; F125-W314 AromaticContact CZ-CD1 3.75Å; F125-W314 AromaticContact CZ-CD2 3.67Å; F125-W314 HydrophobicContact CZ-CD2 3.67Å; F125-W314 AromaticContact CZ-CE2 3.48Å; F125-W314 VanDerWaalsContact CZ-CE2 3.48Å; F125-W314 HydrophobicContact CZ-CE3 4.25Å; F125-W314 AromaticContact CZ-CG 3.89Å; F125-W314 HydrophobicContact CZ-CG 3.89Å; F125-W314 AromaticContact CZ-CZ2 3.98Å; F125-W314 HydrophobicContact CZ-CZ2 3.98Å; F125-W314 AromaticContact CZ-NE1 3.51Å; Y132-W314 HydrophobicContact CD1-CZ2 4.03Å; Y132-W314 HydrophobicContact CE1-CH2 4.27Å; Y132-W314 AromaticContact CE1-CZ2 3.94Å; Y132-W314 HydrophobicContact CE1-CZ2 3.94Å; Y140-W314 AromaticContact CD1-NE1 3.58Å; Y140-W314 AromaticContact CD2-CD1 3.53Å; Y140-W314 AromaticContact CD2-NE1 3.68Å; Y140-W314 AromaticContact CE1-NE1 3.33Å; Y140-W314 VanDerWaalsContact CE1-NE1 3.33Å; Y140-W314 AromaticContact CE2-CD1 3.63Å; Y140-W314 AromaticContact CE2-NE1 3.46Å; Y140-W314 AromaticContact CG-CD1 3.8Å; Y140-W314 AromaticContact CG-NE1 3.75Å; Y140-W314 AromaticContact CZ-CD1 3.96Å; Y140-W314 AromaticContact CZ-NE1 3.28Å; Y140-W314 VanDerWaalsContact CZ-NE1 3.28Å; Y142-W314 WeakPolarHBondContact OH-CA 3.25Å; L311-W314 HydrophobicContact CB-CE3 4.07Å; L311-W314 HydrophobicContact CD1-CE3 4.12Å; L311-W314 HydrophobicContact CD1-CZ3 3.98Å; L311-W314 HydrophobicContact CD2-CE3 4.41Å; L311-W314 HydrophobicContact CD2-CZ3 4.05Å; L311-W314 HydrophobicContact CG-CE3 4.43Å; L311-W314 HydrophobicContact CG-CZ3 4.41Å; L311-W314 PolarHBondContact O-N 3.14Å; L312-W314 PolarHBondContact O-N 2.63Å; L312-W314 VanDerWaalsContact O-N 3.15Å; W314-D316 PolarHBondContact O-N 3Å; W314-D316 VanDerWaalsContact O-N 3.16Å; W314-H317 VanDerWaalsContact O-CB 3.25Å; W314-H317 WeakPolarHBondContact O-CB 3.46Å; W314-H317 PolarHBondContact O-N 3.16Å; W314-Y320 WeakPolarHBondContact O-CB 3.49Å
315S96.9Very high96.1Very high54 Ų5455.6 Ų55.638%0.37829%0.292SS..THydrogen-bonded Turntrans-65.8-15.7-175.957.20000114.3L312L312-S315 VanDerWaalsContact O-CB 3.31Å; L312-S315 WeakPolarHBondContact O-CB 3.47Å; L312-S315 PolarHBondContact O-N 3.15Å; L312-S315 VanDerWaalsContact O-N 3.11Å; L312-S315 PolarHBondContact O-OG 2.6Å
316D96.8Very high95.3Very high105 Ų10553.5 Ų53.556%0.56128%0.276SS*.THydrogen-bonded Turntrans-87.6-4.7174.166.1-36.9000113.5Y142 W314Y142-D316 PolarHBondContact OH-OD1 3.45Å; W314-D316 PolarHBondContact O-N 3Å; W314-D316 VanDerWaalsContact O-N 3.16Å
317H98.4Very high95.5Very high4 Ų452.7 Ų52.72%0.01927%0.272CS..SBendtrans-70.5134.6174.7-170.7-73.3000110.6T123 A124 Y142 T145 W314 E319 Y320T123-H317 VanDerWaalsContact CA-CE1 3.46Å; T123-H317 WeakPolarHBondContact CA-CE1 3.27Å; T123-H317 HydrophobicContact CG2-CB 4.1Å; T123-H317 WeakPolarHBondContact CG2-ND1 3.38Å; A124-H317 PolarHBondContact N-NE2 3.44Å; A124-H317 PolarHBondContact O-NE2 2.88Å; A124-H317 VanDerWaalsContact O-NE2 3.14Å; Y142-H317 AromaticContact CD1-CD2 3.49Å; Y142-H317 VanDerWaalsContact CD1-CD2 3.49Å; Y142-H317 WeakPolarHBondContact CD1-CD2 3.19Å; Y142-H317 HydrophobicContact CD2-CB 4.25Å; Y142-H317 AromaticContact CD2-CD2 3.76Å; Y142-H317 HydrophobicContact CE1-CB 4.36Å; Y142-H317 AromaticContact CE1-CD2 3.86Å; Y142-H317 HydrophobicContact CE2-CB 3.87Å; Y142-H317 AromaticContact CG-CD2 3.42Å; Y142-H317 VanDerWaalsContact CG-CD2 3.42Å; T145-H317 PolarHBondContact OG1-CE1 3.21Å; W314-H317 VanDerWaalsContact O-CB 3.25Å; W314-H317 WeakPolarHBondContact O-CB 3.46Å; W314-H317 PolarHBondContact O-N 3.16Å; H317-E319 PolarHBondContact ND1-N 3.11Å; H317-E319 PolarHBondContact O-N 2.73Å; H317-E319 VanDerWaalsContact O-N 3.15Å; H317-Y320 VanDerWaalsContact O-CB 3.23Å; H317-Y320 WeakPolarHBondContact O-CB 3.31Å; H317-Y320 PolarHBondContact O-N 2.86Å
318P97.3Very high95.4Very high112 Ų11253.8 Ų53.873%0.72728%0.28SS*.THydrogen-bonded Turntrans-56.1-35.1-178.8-2835000114.8
319E98.3Very high95.2Very high28 Ų2856.8 Ų56.813%0.13130%0.296CS..THydrogen-bonded Turntrans-95.119176.5-69.1-68.5146.100114.3P122 T123 T145 R174 Q175 H317 P321P122-E319 HydrophobicContact CB-CB 4.47Å; P122-E319 WeakPolarHBondContact CG-O 3.38Å; P122-E319 WeakPolarHBondContact O-CB 3.48Å; T123-E319 HydrophobicContact CG2-CB 4.48Å; T145-E319 HydrophobicContact CG2-CG 3.99Å; R174-E319 IonicContact CZ-OE1 3.72Å; R174-E319 IonicContact CZ-OE2 2.92Å; R174-E319 IonicContact NH1-OE1 3.47Å; R174-E319 PolarHBondContact NH1-OE1 2.93Å; R174-E319 IonicContact NH1-OE2 3.2Å; R174-E319 IonicContact NH2-OE1 3.65Å; R174-E319 PolarHBondContact NH2-OE1 3.43Å; R174-E319 IonicContact NH2-OE2 3.4Å; R174-E319 PolarHBondContact NH2-OE2 2.89Å; Q175-E319 WeakPolarHBondContact CG-OE2 3.33Å; Q175-E319 PolarHBondContact NE2-O 3.25Å; Q175-E319 PolarHBondContact NE2-OE2 3.29Å; H317-E319 PolarHBondContact ND1-N 3.11Å; H317-E319 PolarHBondContact O-N 2.73Å; H317-E319 VanDerWaalsContact O-N 3.15Å; E319-P321 WeakPolarHBondContact O-CD 3.2Å
320Y98.6Very high95.1Very high17 Ų1759.5 Ų59.57%0.06731%0.309CS..  trans-60.2119.6175.7172.7-115.1000110.4E310 L311 W314 H317 F322 L323E310-Y320 WeakPolarHBondContact O-CE2 3.41Å; E310-Y320 PolarHBondContact O-OH 3.21Å; L311-Y320 HydrophobicContact CB-CE2 4.33Å; W314-Y320 WeakPolarHBondContact O-CB 3.49Å; H317-Y320 VanDerWaalsContact O-CB 3.23Å; H317-Y320 WeakPolarHBondContact O-CB 3.31Å; H317-Y320 PolarHBondContact O-N 2.86Å; Y320-F322 HydrophobicContact CE1-CB 4.03Å; Y320-F322 HydrophobicContact CE2-CB 4.33Å; Y320-F322 AromaticContact CE2-CD2 3.65Å; Y320-F322 HydrophobicContact CE2-CD2 3.65Å; Y320-F322 HydrophobicContact CE2-CE2 4.35Å; Y320-F322 HydrophobicContact CE2-CG 4.27Å; Y320-F322 AromaticContact CZ-CD2 3.77Å; Y320-F322 PolarHBondContact O-N 2.8Å; Y320-L323 HydrophobicContact CD1-CD1 4.05Å; Y320-L323 HydrophobicContact CD1-CD2 4.18Å; Y320-L323 HydrophobicContact CD1-CG 3.62Å; Y320-L323 HydrophobicContact CE1-CD2 4.12Å; Y320-L323 HydrophobicContact CE1-CG 3.95Å
321P98Very high94.9Very high2 Ų259.8 Ų59.81%0.01331%0.312CS..THydrogen-bonded Turntrans-79.1-12.2-161.725-32.8000115.5M121 P122 N170 N172 E319M121-P321 HydrophobicContact CE-CG 4.12Å; P122-P321 HydrophobicContact CG-CB 3.95Å; P122-P321 HydrophobicContact CG-CG 3.98Å; N170-P321 HydrophobicContact CB-CG 4.3Å; N170-P321 WeakPolarHBondContact O-CB 3.4Å; N170-P321 WeakPolarHBondContact O-CG 3.43Å; N172-P321 WeakPolarHBondContact CB-O 3.38Å; N172-P321 PolarHBondContact ND2-O 2.97Å; N172-P321 VanDerWaalsContact ND2-O 3.16Å; E319-P321 WeakPolarHBondContact O-CD 3.2Å
322F97.9Very high94.9Very high30 Ų3062.3 Ų62.313%0.13233%0.326CS..THydrogen-bonded Turntrans-107.214.5-166.2-44.7-39.1000114.4N170 R307 E310 L311 Y320N170-F322 HydrophobicContact CB-CE1 4.46Å; N170-F322 HydrophobicContact CB-CZ 4.31Å; R307-F322 VanDerWaalsContact NH1-CE1 3.31Å; E310-F322 WeakPolarHBondContact O-CD2 3.42Å; L311-F322 HydrophobicContact CB-CE2 4.31Å; L311-F322 HydrophobicContact CD1-CE2 3.89Å; L311-F322 HydrophobicContact CD1-CZ 4.27Å; L311-F322 HydrophobicContact CG-CE2 4.16Å; Y320-F322 HydrophobicContact CE1-CB 4.03Å; Y320-F322 HydrophobicContact CE2-CB 4.33Å; Y320-F322 AromaticContact CE2-CD2 3.65Å; Y320-F322 HydrophobicContact CE2-CD2 3.65Å; Y320-F322 HydrophobicContact CE2-CE2 4.35Å; Y320-F322 HydrophobicContact CE2-CG 4.27Å; Y320-F322 AromaticContact CZ-CD2 3.77Å; Y320-F322 PolarHBondContact O-N 2.8Å
323L95.1Very high94.8Very high131 Ų13159.6 Ų59.669%0.68631%0.312SS*.SBendtrans-80.4-39.5168.3-66.1169.3000111.8Y320Y320-L323 HydrophobicContact CD1-CD1 4.05Å; Y320-L323 HydrophobicContact CD1-CD2 4.18Å; Y320-L323 HydrophobicContact CD1-CG 3.62Å; Y320-L323 HydrophobicContact CE1-CD2 4.12Å; Y320-L323 HydrophobicContact CE1-CG 3.95Å
324D92.4Very high94.8Very high72 Ų7258.7 Ų58.739%0.38531%0.309SS..SBendtrans-69.7152.4175.2-64.6-32000109.9N172 R174 Y326N172-D324 PolarHBondContact ND2-OD2 3.36Å; R174-D324 IonicContact NE-OD2 2.76Å; D324-Y326 VanDerWaalsContact C-N 3.3Å; D324-Y326 PolarHBondContact O-N 2.97Å
325E86.1Confident94.6Very high133 Ų13362.4 Ų62.462%0.62133%0.33SS*.  trans-60.7-36.1-177.8-170.8-175.2-14500113.1K204K204-E325 HydrophobicContact CD-CG 4.44Å; K204-E325 IonicContact NZ-OE1 3.05Å; K204-E325 PolarHBondContact NZ-OE1 3.33Å; K204-E325 IonicContact NZ-OE2 2.66Å; K204-E325 PolarHBondContact NZ-OE2 3.33Å
326Y79Confident94.3Very high61 Ų6163.2 Ų63.224%0.23933%0.326CS..  trans-161.70178.659.8-79.7000114.2N172 R173 K204 D324N172-Y326 WeakPolarHBondContact CA-OXT 3.29Å; R173-Y326 HydrophobicContact CB-CD2 4.02Å; R173-Y326 HydrophobicContact CB-CE2 4.24Å; R173-Y326 WeakPolarHBondContact CB-O 3.39Å; R173-Y326 HydrophobicContact CG-CE2 4.38Å; R173-Y326 PolarHBondContact N-O 3.32Å; R173-Y326 PolarHBondContact N-OXT 2.76Å; R173-Y326 PolarHBondContact NH1-OH 2.91Å; K204-Y326 HydrophobicContact CB-CD1 3.68Å; K204-Y326 HydrophobicContact CB-CD2 3.64Å; K204-Y326 HydrophobicContact CB-CE1 4.13Å; K204-Y326 HydrophobicContact CB-CE2 4.01Å; K204-Y326 HydrophobicContact CB-CG 3.45Å; K204-Y326 VanDerWaalsContact CB-CG 3.45Å; K204-Y326 HydrophobicContact CD-CD1 3.5Å; K204-Y326 HydrophobicContact CD-CE1 3.67Å; K204-Y326 HydrophobicContact CD-CG 4.19Å; K204-Y326 HydrophobicContact CG-CD1 4.22Å; K204-Y326 HydrophobicContact CG-CE1 4.46Å; K204-Y326 HydrophobicContact CG-CG 4.45Å; D324-Y326 VanDerWaalsContact C-N 3.3Å; D324-Y326 PolarHBondContact O-N 2.97Å

Retrieved 326 of 326 residues in 75.5 ms (Link to these results)

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