A0A087YC64_POEFO Loading...

Aminopeptidase like 1

AlphaFold DB , UniProt , Accession A0A087YC64, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 523 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
1M57.3Low86.5Confident104 Ų10449.4 Ų49.451%0.51227%0.271SS..  0-32.30-67.2-161.5-98.800111.4V4 R100M1-V4 VanDerWaalsContact O-CG2 3.24Å; M1-V4 WeakPolarHBondContact O-CG2 3.47Å; M1-R100 HydrophobicContact CE-CB 4.16Å; M1-R100 HydrophobicContact CE-CG 4.02Å; M1-R100 HydrophobicContact SD-CB 4.25Å; M1-R100 HydrophobicContact SD-CG 3.72Å
2A63.7Low86.3Confident29 Ų2946.5 Ų46.524%0.2426%0.257CS..  trans-68160.3162.200000112.3P132 T135A2-P132 WeakPolarHBondContact CA-O 3.35Å; A2-T135 HydrophobicContact CB-CG2 3.48Å; A2-T135 VanDerWaalsContact CB-CG2 3.48Å
3N79.8Confident86.5Confident70 Ų7045.2 Ų45.237%0.37426%0.26SS..SBendtrans59.444-177.8-158.927.9000114K147N3-K147 PolarHBondContact O-N 2.97Å; N3-K147 VanDerWaalsContact O-N 3.08Å
4V89.4Confident86.9Confident6 Ų651.5 Ų51.54%0.03629%0.293CS..EExtended strand (participates in β ladder)trans-106.3130.4177.1172.40000109.8M1 F131 K147 V149 R179M1-V4 VanDerWaalsContact O-CG2 3.24Å; M1-V4 WeakPolarHBondContact O-CG2 3.47Å; V4-F131 HydrophobicContact CB-CB 4.32Å; V4-F131 HydrophobicContact CB-CD1 4.16Å; V4-F131 HydrophobicContact CB-CG 4.42Å; V4-F131 HydrophobicContact CG1-CB 4.33Å; V4-F131 HydrophobicContact CG1-CD1 3.94Å; V4-F131 HydrophobicContact CG1-CE1 4.44Å; V4-F131 HydrophobicContact CG1-CG 4.06Å; V4-F131 HydrophobicContact CG2-CD1 3.9Å; V4-F131 HydrophobicContact CG2-CE1 4.5Å; V4-K147 CarbonylContact C-O 3.56Å; V4-K147 VanDerWaalsContact CA-O 3.26Å; V4-K147 WeakPolarHBondContact CA-O 3.36Å; V4-K147 HydrophobicContact CG2-CB 4.09Å; V4-V149 HydrophobicContact CG1-CB 4.04Å; V4-V149 HydrophobicContact CG1-CG2 3.55Å; V4-R179 PolarHBondContact O-NH2 3.3Å
5V93.6Very high87.2Confident45 Ų4550 Ų5027%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-88.7123.2163.3-177.10000107.1E7 K146 K147 V149V5-E7 HydrophobicContact CG1-CG 4.15Å; V5-K146 HydrophobicContact CG2-CB 4.39Å; V5-K146 HydrophobicContact CG2-CD 4.07Å; V5-K147 PolarHBondContact N-O 3.47Å; V5-V149 PolarHBondContact O-N 3.14Å
6L95.8Very high87.5Confident19 Ų1951.4 Ų51.410%0.09929%0.29CS..EExtended strand (participates in β ladder)trans-108.3122.8-179-171.967.4000108.1F8 V127 A128 F131 V149 V151 A175L6-F8 HydrophobicContact CD2-CE2 4.08Å; L6-F8 HydrophobicContact CD2-CZ 3.98Å; L6-F8 HydrophobicContact CG-CE2 4.29Å; L6-F8 HydrophobicContact CG-CZ 4.41Å; L6-V127 HydrophobicContact CD1-CG1 4Å; L6-V127 HydrophobicContact CD2-CG1 4.29Å; L6-A128 HydrophobicContact CD2-CB 4.26Å; L6-F131 HydrophobicContact CD1-CD2 3.95Å; L6-F131 HydrophobicContact CD1-CE2 4.03Å; L6-V149 HydrophobicContact CD1-CB 3.9Å; L6-V149 HydrophobicContact CD1-CG1 3.75Å; L6-V151 HydrophobicContact CD1-CG2 3.48Å; L6-V151 VanDerWaalsContact CD1-CG2 3.48Å; L6-V151 HydrophobicContact CG-CG2 4.23Å; L6-A175 HydrophobicContact CD2-CB 4.19Å
7E96.8Very high87.8Confident58 Ų5848.4 Ų48.427%0.27127%0.273SS..EExtended strand (participates in β ladder)trans-127.1122.8-176.6-70.6171.9-150.800109.9V5 K9 H148 V149 T150 V151V5-E7 HydrophobicContact CG1-CG 4.15Å; E7-K9 WeakPolarHBondContact OE2-CE 3.4Å; E7-K9 IonicContact OE2-NZ 3.7Å; E7-K9 PolarHBondContact OE2-NZ 2.72Å; E7-H148 IonicContact OE1-ND1 2.86Å; E7-V149 PolarHBondContact N-O 2.88Å; E7-T150 CarbonylContact O-C 3.41Å; E7-T150 WeakPolarHBondContact O-CA 3.24Å; E7-V151 PolarHBondContact O-N 2.95Å
8F97.6Very high88Confident14 Ų1451.4 Ų51.46%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-89125.9171.5-61.9-85.3000109.2L6 A124 V151 F153 L168 L171 A175L6-F8 HydrophobicContact CD2-CE2 4.08Å; L6-F8 HydrophobicContact CD2-CZ 3.98Å; L6-F8 HydrophobicContact CG-CE2 4.29Å; L6-F8 HydrophobicContact CG-CZ 4.41Å; F8-A124 HydrophobicContact CE1-CB 3.71Å; F8-A124 HydrophobicContact CZ-CB 3.99Å; F8-V151 HydrophobicContact CD1-CB 3.67Å; F8-V151 HydrophobicContact CD1-CG1 3.9Å; F8-V151 HydrophobicContact CD1-CG2 4.26Å; F8-V151 HydrophobicContact CE1-CB 3.89Å; F8-V151 HydrophobicContact CE1-CG1 3.87Å; F8-V151 HydrophobicContact CE1-CG2 4.1Å; F8-V151 HydrophobicContact CG-CB 4.49Å; F8-F153 AromaticContact CD1-CE2 3.81Å; F8-F153 HydrophobicContact CD1-CE2 3.81Å; F8-F153 HydrophobicContact CE1-CE2 4.02Å; F8-F153 HydrophobicContact CE1-CZ 4.49Å; F8-L168 HydrophobicContact CB-CD2 3.96Å; F8-L171 HydrophobicContact CB-CB 4.49Å; F8-L171 HydrophobicContact CD1-CB 4.12Å; F8-L171 HydrophobicContact CD1-CD1 4.21Å; F8-L171 HydrophobicContact CD2-CB 4.07Å; F8-L171 HydrophobicContact CE1-CB 4.35Å; F8-L171 HydrophobicContact CE2-CB 4.32Å; F8-L171 WeakPolarHBondContact CE2-O 3.38Å; F8-L171 HydrophobicContact CG-CB 3.96Å; F8-L171 HydrophobicContact CZ-CB 4.44Å; F8-A175 HydrophobicContact CE2-CB 3.53Å; F8-A175 HydrophobicContact CZ-CB 3.88Å
9K95.8Very high88.2Confident84 Ų8454.8 Ų54.837%0.36530%0.302SS..  trans-135.2149.9-179.3-65.7-172.7-179.4167.80110.9E7 S11 T150 V151E7-K9 WeakPolarHBondContact OE2-CE 3.4Å; E7-K9 IonicContact OE2-NZ 3.7Å; E7-K9 PolarHBondContact OE2-NZ 2.72Å; K9-S11 PolarHBondContact O-N 3.2Å; K9-T150 HydrophobicContact CB-CG2 3.97Å; K9-T150 HydrophobicContact CD-CG2 3.86Å; K9-T150 HydrophobicContact CG-CG2 3.98Å; K9-V151 PolarHBondContact N-O 3.49Å
10V92.6Very high88.6Confident52 Ų5253.4 Ų53.432%0.31529%0.292SS..SBendtrans-56-43.5170.1-178.90000110.7L162 L163 L168V10-L162 HydrophobicContact CG1-CB 3.99Å; V10-L162 HydrophobicContact CG1-CD1 3.79Å; V10-L162 HydrophobicContact CG1-CD2 3.91Å; V10-L162 HydrophobicContact CG1-CG 4.1Å; V10-L163 WeakPolarHBondContact CG2-O 3.28Å; V10-L168 HydrophobicContact CG2-CD1 3.55Å
11S88.9Confident89Confident62 Ų6251.1 Ų51.143%0.43428%0.28SS..  trans-144.9139.6173.8-173.20000109.8K9 G13K9-S11 PolarHBondContact O-N 3.2Å; S11-G13 PolarHBondContact OG-N 3.09Å
12S84.3Confident90.9Very high15 Ų1546.2 Ų46.211%0.10526%0.256CS..  trans-76.2-10.3166.756.10000112.3R20 K42 C110 E152S12-R20 PolarHBondContact O-NH1 2.86Å; S12-R20 PolarHBondContact O-NH2 3.35Å; S12-K42 WeakPolarHBondContact OG-CE 3.25Å; S12-C110 PolarHBondContact OG-SG 3.2Å; S12-E152 PolarHBondContact N-OE2 2.96Å; S12-E152 PolarHBondContact OG-OE2 3.47Å
13G89.5Confident92.5Very high29 Ų2944.9 Ų44.930%0.29925%0.245SC..  trans76.3-178.7-171.300000113S11 R20S11-G13 PolarHBondContact OG-N 3.09Å; G13-R20 PolarHBondContact O-NH2 3.28Å
14D91.3Very high93.4Very high134 Ų13441.5 Ų41.572%0.71723%0.227SC*.  trans-85.3137.3-179.4-68.6-4.7000110.8G41D14-G41 CarbonylContact C-O 3.53Å; D14-G41 VanDerWaalsContact CA-O 3.28Å; D14-G41 WeakPolarHBondContact CA-O 3.47Å; D14-G41 WeakPolarHBondContact CB-O 3.41Å; D14-G41 VanDerWaalsContact CG-CA 3.49Å; D14-G41 VanDerWaalsContact OD1-CA 3.31Å; D14-G41 WeakPolarHBondContact OD1-CA 3.19Å
15S91.7Very high93.8Very high29 Ų2941.2 Ų41.220%0.20323%0.225CC..  trans-165.3138.4175.2176.90000109.5R20 G41 K42S15-R20 VanDerWaalsContact OG-CB 3.3Å; S15-R20 WeakPolarHBondContact OG-CB 3.4Å; S15-G41 PolarHBondContact N-O 3.44Å; S15-K42 CarbonylContact O-C 3.55Å; S15-K42 WeakPolarHBondContact O-CA 3.42Å
16E92Very high93.9Very high72 Ų7239.1 Ų39.134%0.33621%0.212SC..  trans-64.4147.5172.5-53.8-167.8-170.800111.1Q18 N19 R20 P45E16-Q18 PolarHBondContact O-N 3.11Å; E16-Q18 VanDerWaalsContact O-N 3.13Å; E16-N19 PolarHBondContact O-N 2.89Å; E16-R20 PolarHBondContact O-N 3.18Å; E16-P45 VanDerWaalsContact OE1-CD 3.3Å; E16-P45 WeakPolarHBondContact OE1-CD 3.41Å
17P92.6Very high93.9Very high0 Ų039.9 Ų39.90%022%0.215CC..THydrogen-bonded Turntrans-53.9-31.8177.4-30.836.8000114.9N19 R20 P21 K42 L43 V46 Y70 Q73 A74P17-N19 VanDerWaalsContact C-N 3.31Å; P17-N19 PolarHBondContact O-N 3.25Å; P17-R20 CarbonylContact O-C 3.58Å; P17-R20 VanDerWaalsContact O-C 3.3Å; P17-P21 VanDerWaalsContact O-CA 3.29Å; P17-P21 WeakPolarHBondContact O-CA 3.38Å; P17-K42 WeakPolarHBondContact CD-O 3.11Å; P17-K42 WeakPolarHBondContact CG-O 3.5Å; P17-L43 HydrophobicContact CG-CD2 4.35Å; P17-V46 HydrophobicContact CB-CG2 4.36Å; P17-V46 HydrophobicContact CG-CG2 3.64Å; P17-Y70 HydrophobicContact CB-CD1 4.26Å; P17-Q73 HydrophobicContact CB-CB 3.99Å; P17-A74 HydrophobicContact CB-CB 3.99Å; P17-A74 HydrophobicContact CG-CB 3.97Å
18Q92.1Very high93.7Very high104 Ų10438.7 Ų38.749%0.48621%0.21SC..THydrogen-bonded Turntrans-65.3-36178.3-64.2-177.1900112.4E16 Y70E16-Q18 PolarHBondContact O-N 3.11Å; E16-Q18 VanDerWaalsContact O-N 3.13Å; Q18-Y70 HydrophobicContact CG-CE1 3.81Å; Q18-Y70 PolarHBondContact NE2-OH 3.45Å
19N92.1Very high93.5Very high116 Ų11642 Ų4262%0.6223%0.228SC*.THydrogen-bonded Turntrans-85-39.3-179.5-66.5-31.7000111.5E16 P17E16-N19 PolarHBondContact O-N 2.89Å; P17-N19 VanDerWaalsContact C-N 3.31Å; P17-N19 PolarHBondContact O-N 3.25Å
20R95.2Very high93.4Very high26 Ų2638.3 Ų38.310%0.09821%0.212CC..SBendtrans-135.296.8176.5-174.2165.959.1-164-3.6110.2S12 G13 S15 E16 P17 C110S12-R20 PolarHBondContact O-NH1 2.86Å; S12-R20 PolarHBondContact O-NH2 3.35Å; G13-R20 PolarHBondContact O-NH2 3.28Å; S15-R20 VanDerWaalsContact OG-CB 3.3Å; S15-R20 WeakPolarHBondContact OG-CB 3.4Å; E16-R20 PolarHBondContact O-N 3.18Å; P17-R20 CarbonylContact O-C 3.58Å; P17-R20 VanDerWaalsContact O-C 3.3Å; R20-C110 HydrophobicContact CG-CB 4.02Å
21P96.4Very high93.6Very high5 Ų535.9 Ų35.93%0.03220%0.197CC..  trans-63.2140.4-179.3-2538.3000111.1P17 Q73 P104 N108 R109 C110P17-P21 VanDerWaalsContact O-CA 3.29Å; P17-P21 WeakPolarHBondContact O-CA 3.38Å; P21-Q73 CarbonylContact C-O 3.5Å; P21-Q73 WeakPolarHBondContact CA-O 3.49Å; P21-Q73 WeakPolarHBondContact CB-O 3.4Å; P21-Q73 VanDerWaalsContact CB-OE1 3.31Å; P21-P104 HydrophobicContact CB-CB 3.36Å; P21-P104 HydrophobicContact CB-CG 4.2Å; P21-N108 WeakPolarHBondContact CD-O 3.37Å; P21-R109 CarbonylContact O-C 3.5Å; P21-R109 WeakPolarHBondContact O-CA 3.47Å; P21-C110 PolarHBondContact O-N 3.26Å
22V97.3Very high93.7Very high2 Ų238.2 Ų38.21%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-127.3136.3-167.564.60000112.5I24 L43 Q73 A74 V75 C110 V112V22-I24 HydrophobicContact CG2-CG1 4.04Å; V22-L43 HydrophobicContact CG1-CD2 3.9Å; V22-Q73 PolarHBondContact N-O 3.24Å; V22-A74 HydrophobicContact CG1-CB 3.77Å; V22-A74 WeakPolarHBondContact O-CA 3.29Å; V22-V75 PolarHBondContact O-N 3.04Å; V22-C110 WeakPolarHBondContact CA-O 3.43Å; V22-C110 HydrophobicContact CB-CB 4.3Å; V22-C110 HydrophobicContact CG2-CB 4.05Å; V22-V112 HydrophobicContact CG2-CG2 4.19Å
23L98.1Very high94.1Very high0 Ų042.9 Ų42.90%022%0.222CC..EExtended strand (participates in β ladder)trans-115.7119.5166.1176.264.3000108.8L25 V75 A77 I99 C102 L103 C110 I111 V112L23-L25 HydrophobicContact CD2-CD2 3.75Å; L23-L25 HydrophobicContact CG-CD2 3.7Å; L23-V75 WeakPolarHBondContact CA-O 3.44Å; L23-V75 HydrophobicContact CD1-CB 3.94Å; L23-V75 HydrophobicContact CD1-CG1 3.98Å; L23-A77 HydrophobicContact CD1-CB 4.15Å; L23-I99 HydrophobicContact CD2-CG1 4.12Å; L23-C102 HydrophobicContact CD1-CB 3.91Å; L23-C102 HydrophobicContact CD2-CB 4.48Å; L23-L103 HydrophobicContact CB-CD1 3.68Å; L23-L103 HydrophobicContact CD2-CB 4.07Å; L23-L103 HydrophobicContact CD2-CD1 4.42Å; L23-C110 PolarHBondContact N-O 3.31Å; L23-I111 CarbonylContact O-C 3.51Å; L23-I111 WeakPolarHBondContact O-CA 3.26Å; L23-V112 PolarHBondContact O-N 2.98Å
24I97.9Very high94.1Very high0 Ų042.2 Ų42.20%021%0.211CC..EExtended strand (participates in β ladder)trans-103.1125.9172.9-54.1170.1000107.3V22 L31 I39 L43 W52 V75 V76 A77 V112 V114V22-I24 HydrophobicContact CG2-CG1 4.04Å; I24-L31 HydrophobicContact CG2-CD2 4.07Å; I24-I39 HydrophobicContact CD1-CB 4.41Å; I24-I39 HydrophobicContact CD1-CG2 4.33Å; I24-L43 HydrophobicContact CD1-CD1 4.24Å; I24-L43 HydrophobicContact CD1-CD2 4.44Å; I24-W52 HydrophobicContact CD1-CH2 4.05Å; I24-W52 HydrophobicContact CD1-CZ3 3.7Å; I24-W52 HydrophobicContact CG2-CH2 4.04Å; I24-V75 PolarHBondContact N-O 3.26Å; I24-V76 HydrophobicContact CB-CG2 4.47Å; I24-V76 CarbonylContact O-C 3.58Å; I24-V76 VanDerWaalsContact O-CA 3.24Å; I24-V76 WeakPolarHBondContact O-CA 3.31Å; I24-A77 PolarHBondContact O-N 2.65Å; I24-V112 CarbonylContact C-O 3.55Å; I24-V112 WeakPolarHBondContact CA-O 3.48Å; I24-V112 HydrophobicContact CB-CB 4.46Å; I24-V112 HydrophobicContact CG1-CB 4.15Å; I24-V112 HydrophobicContact CG1-CG2 4.32Å; I24-V112 HydrophobicContact CG2-CB 4.28Å; I24-V112 HydrophobicContact CG2-CG1 4.45Å; I24-V114 HydrophobicContact CG2-CG2 4.11Å
25L97.6Very high94Very high0 Ų037.9 Ų37.90%019%0.192CC..EExtended strand (participates in β ladder)trans-142.3149.6-179.564.4133.8000113.2L23 A77 L95 I99 I111 V112 V113 V114L23-L25 HydrophobicContact CD2-CD2 3.75Å; L23-L25 HydrophobicContact CG-CD2 3.7Å; L25-A77 VanDerWaalsContact CA-O 3.23Å; L25-A77 WeakPolarHBondContact CA-O 3.41Å; L25-A77 HydrophobicContact CB-CB 4.28Å; L25-L95 HydrophobicContact CD1-CD1 3.99Å; L25-L95 HydrophobicContact CD1-CD2 4.11Å; L25-L95 HydrophobicContact CD1-CG 3.52Å; L25-I99 HydrophobicContact CD2-CG1 4.3Å; L25-I111 HydrophobicContact CD2-CG2 3.54Å; L25-V112 PolarHBondContact N-O 3.04Å; L25-V113 HydrophobicContact CD2-CG2 4.47Å; L25-V113 HydrophobicContact CG-CG2 4.45Å; L25-V113 CarbonylContact O-C 3.5Å; L25-V113 WeakPolarHBondContact O-CA 3.46Å; L25-V114 PolarHBondContact O-N 3.35Å
26G97.2Very high94.1Very high0 Ų038.5 Ų38.50%019%0.19CC..EExtended strand (participates in β ladder)trans178.4176.4179.400000110.9L31 A77 A78 L79 V114G26-L31 WeakPolarHBondContact O-CD1 3.28Å; G26-A77 PolarHBondContact N-O 3.24Å; G26-A78 WeakPolarHBondContact O-CA 3.26Å; G26-L79 PolarHBondContact O-N 3.36Å; G26-V114 VanDerWaalsContact CA-O 3.26Å; G26-V114 WeakPolarHBondContact CA-O 3.39Å
27Q95.3Very high93.9Very high35 Ų3538.6 Ų38.616%0.16420%0.198CC..EExtended strand (participates in β ladder)trans-66.8147.5166.6-63.9-175.516.300109.5N29 N30 L31 L79 P89Q27-N29 VanDerWaalsContact C-N 3.28Å; Q27-N29 PolarHBondContact O-N 3.28Å; Q27-N30 PolarHBondContact O-N 3.13Å; Q27-L31 WeakPolarHBondContact O-CG 3.46Å; Q27-L31 PolarHBondContact O-N 2.93Å; Q27-L79 HydrophobicContact CG-CB 4.21Å; Q27-P89 PolarHBondContact NE2-O 2.65Å; Q27-P89 VanDerWaalsContact NE2-O 3.09Å
28Q93.6Very high93.7Very high33 Ų3343.2 Ų43.215%0.15422%0.219CC..Hα-helixtrans-55.9-41.5-175.1-176.3170.313.900112.9N30 L31 Q32 L59 P61Q28-N30 VanDerWaalsContact C-N 3.3Å; Q28-N30 PolarHBondContact O-N 3.41Å; Q28-L31 PolarHBondContact O-N 3.28Å; Q28-Q32 VanDerWaalsContact O-CG 3.31Å; Q28-Q32 WeakPolarHBondContact O-CG 3.39Å; Q28-Q32 PolarHBondContact O-N 3.02Å; Q28-L59 PolarHBondContact NE2-O 2.71Å; Q28-P61 HydrophobicContact CB-CG 4.32Å
29N92.7Very high93.7Very high85 Ų8538.3 Ų38.346%0.45520%0.196SC..Hα-helixtrans-62.6-36.8177.6-64.3-10.9000112.1Q27 Q33Q27-N29 VanDerWaalsContact C-N 3.28Å; Q27-N29 PolarHBondContact O-N 3.28Å; N29-Q33 WeakPolarHBondContact O-CG 3.41Å; N29-Q33 PolarHBondContact O-N 3.23Å; N29-Q33 PolarHBondContact O-NE2 3.04Å; N29-Q33 VanDerWaalsContact O-NE2 3.13Å
30N94Very high93.8Very high5 Ų537 Ų373%0.02719%0.185CC..Hα-helixtrans-75.2-39.1179.4-62.2-9.3000110.8Q27 Q28 Q32 Q33 V114 V156Q27-N30 PolarHBondContact O-N 3.13Å; Q28-N30 VanDerWaalsContact C-N 3.3Å; Q28-N30 PolarHBondContact O-N 3.41Å; N30-Q32 VanDerWaalsContact C-N 3.3Å; N30-Q32 PolarHBondContact O-N 3.45Å; N30-Q33 PolarHBondContact O-N 2.85Å; N30-V114 HydrophobicContact CB-CG1 4.08Å; N30-V156 HydrophobicContact CB-CG1 4.29Å; N30-V156 HydrophobicContact CB-CG2 4.18Å
31L95.1Very high93.6Very high1 Ų136.4 Ų36.41%0.00519%0.187CC..Hα-helixtrans-61.2-38.2174.3-69.4171.4000112.1I24 G26 Q27 Q28 Q33 L34 L56 L59 V76 A78 V114I24-L31 HydrophobicContact CG2-CD2 4.07Å; G26-L31 WeakPolarHBondContact O-CD1 3.28Å; Q27-L31 WeakPolarHBondContact O-CG 3.46Å; Q27-L31 PolarHBondContact O-N 2.93Å; Q28-L31 PolarHBondContact O-N 3.28Å; L31-Q33 VanDerWaalsContact C-N 3.27Å; L31-Q33 PolarHBondContact O-N 3.35Å; L31-L34 HydrophobicContact CD2-CD1 4.42Å; L31-L34 WeakPolarHBondContact O-CB 3.37Å; L31-L34 PolarHBondContact O-N 2.9Å; L31-L56 HydrophobicContact CB-CD2 3.92Å; L31-L59 HydrophobicContact CD1-CD1 4.21Å; L31-V76 HydrophobicContact CD1-CG2 4.18Å; L31-V76 HydrophobicContact CD2-CG2 4.32Å; L31-A78 HydrophobicContact CD1-CB 4.44Å; L31-V114 HydrophobicContact CD2-CB 4.09Å; L31-V114 HydrophobicContact CD2-CG2 3.88Å
32Q93Very high93.5Very high111 Ų11136.7 Ų36.752%0.51919%0.188SC..Hα-helixtrans-68.9-22.7177.9-74.5173.9-9.700113.6Q28 N30 L34Q28-Q32 VanDerWaalsContact O-CG 3.31Å; Q28-Q32 WeakPolarHBondContact O-CG 3.39Å; Q28-Q32 PolarHBondContact O-N 3.02Å; N30-Q32 VanDerWaalsContact C-N 3.3Å; N30-Q32 PolarHBondContact O-N 3.45Å; Q32-L34 VanDerWaalsContact C-N 3.28Å
33Q91.4Very high93.4Very high114 Ų11436.6 Ų36.653%0.53319%0.187SC..THydrogen-bonded Turntrans-78.2-12.1175.4-69.9172.263.200112.9N29 N30 L31 S35 V156N29-Q33 WeakPolarHBondContact O-CG 3.41Å; N29-Q33 PolarHBondContact O-N 3.23Å; N29-Q33 PolarHBondContact O-NE2 3.04Å; N29-Q33 VanDerWaalsContact O-NE2 3.13Å; N30-Q33 PolarHBondContact O-N 2.85Å; L31-Q33 VanDerWaalsContact C-N 3.27Å; L31-Q33 PolarHBondContact O-N 3.35Å; Q33-S35 PolarHBondContact O-N 3.39Å; Q33-V156 HydrophobicContact CB-CG1 4.42Å
34L90.3Very high93.2Very high14 Ų1441 Ų417%0.07321%0.208CC..  trans-68.5120.3178.5-72.7-179.9000112.2L31 Q32 H38 I39 W52 V114 V154L31-L34 HydrophobicContact CD2-CD1 4.42Å; L31-L34 WeakPolarHBondContact O-CB 3.37Å; L31-L34 PolarHBondContact O-N 2.9Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; L34-H38 HydrophobicContact CD2-CB 4.4Å; L34-I39 HydrophobicContact CD1-CG2 4.07Å; L34-W52 HydrophobicContact CB-CZ2 4.36Å; L34-W52 HydrophobicContact CD1-CH2 4.25Å; L34-W52 HydrophobicContact CD1-CZ2 3.95Å; L34-V114 HydrophobicContact CD1-CB 4.46Å; L34-V114 HydrophobicContact CD1-CG1 4.08Å; L34-V114 HydrophobicContact CD1-CG2 3.61Å; L34-V114 HydrophobicContact CD2-CG1 3.93Å; L34-V114 HydrophobicContact CD2-CG2 4.41Å; L34-V114 HydrophobicContact CG-CG1 3.89Å; L34-V114 HydrophobicContact CG-CG2 4.32Å; L34-V154 HydrophobicContact CD2-CB 4.09Å; L34-V154 HydrophobicContact CD2-CG1 3.43Å; L34-V154 VanDerWaalsContact CD2-CG1 3.43Å
35S89.1Confident93Very high44 Ų4445.5 Ų45.531%0.30824%0.237SC..  trans-67.8147.2164.886.30000111Q33 S37 H38Q33-S35 PolarHBondContact O-N 3.39Å; S35-S37 PolarHBondContact O-N 3.04Å; S35-S37 VanDerWaalsContact O-N 3.11Å; S35-S37 PolarHBondContact OG-N 3.47Å; S35-S37 PolarHBondContact OG-OG 2.79Å; S35-H38 PolarHBondContact N-ND1 2.63Å; S35-H38 PolarHBondContact O-N 3.37Å; S35-H38 VanDerWaalsContact O-N 3.09Å; S35-H38 PolarHBondContact OG-CE1 2.86Å; S35-H38 PolarHBondContact OG-ND1 2.75Å
36W92.6Very high92.9Very high42 Ų4247.6 Ų47.616%0.15925%0.25CC..Hα-helixtrans-54.5-31.7173.7179.1-116.7000112.1H38 I39 K40 L43 Q44 V47 K49 W52W36-H38 VanDerWaalsContact C-N 3.25Å; W36-H38 PolarHBondContact O-N 2.6Å; W36-I39 HydrophobicContact CD2-CD1 4.04Å; W36-I39 HydrophobicContact CE3-CD1 3.12Å; W36-I39 HydrophobicContact CE3-CG1 4.48Å; W36-I39 HydrophobicContact CH2-CD1 4.21Å; W36-I39 HydrophobicContact CZ3-CD1 3.2Å; W36-I39 PolarHBondContact O-N 3.11Å; W36-K40 HydrophobicContact CD2-CB 4.03Å; W36-K40 VanDerWaalsContact CE2-CB 3.49Å; W36-K40 HydrophobicContact CG-CB 4.31Å; W36-K40 HydrophobicContact CH2-CB 4.48Å; W36-K40 HydrophobicContact CZ2-CB 3.78Å; W36-K40 VanDerWaalsContact O-CB 3.25Å; W36-K40 WeakPolarHBondContact O-CB 3.5Å; W36-K40 PolarHBondContact O-N 3.11Å; W36-L43 HydrophobicContact CH2-CB 4.2Å; W36-L43 HydrophobicContact CH2-CD1 4.31Å; W36-L43 HydrophobicContact CZ3-CD1 4.07Å; W36-Q44 HydrophobicContact CZ2-CG 3.89Å; W36-V47 WeakPolarHBondContact CH2-O 3.39Å; W36-K49 HydrophobicContact CB-CD 4.14Å; W36-K49 HydrophobicContact CB-CG 4.04Å; W36-K49 HydrophobicContact CD2-CB 3.78Å; W36-K49 HydrophobicContact CD2-CG 3.95Å; W36-K49 HydrophobicContact CE3-CB 4.22Å; W36-K49 HydrophobicContact CE3-CG 4.33Å; W36-K49 HydrophobicContact CG-CB 3.99Å; W36-K49 HydrophobicContact CG-CD 4.05Å; W36-K49 HydrophobicContact CG-CG 3.77Å; W36-K49 HydrophobicContact CZ2-CB 4.41Å; W36-W52 HydrophobicContact CE3-CB 3.88Å; W36-W52 AromaticContact CE3-CD1 3.87Å; W36-W52 AromaticContact CE3-CG 3.88Å; W36-W52 HydrophobicContact CE3-CG 3.88Å; W36-W52 HydrophobicContact CH2-CB 4.48Å; W36-W52 HydrophobicContact CZ3-CB 3.46Å; W36-W52 VanDerWaalsContact CZ3-CB 3.46Å; W36-W52 AromaticContact CZ3-CG 3.8Å; W36-W52 HydrophobicContact CZ3-CG 3.8Å
37S89.5Confident92.7Very high73 Ų7347.7 Ų47.751%0.5125%0.25SS..Hα-helixtrans-63.4-28.9-179.273.70000113.7S35S35-S37 PolarHBondContact O-N 3.04Å; S35-S37 VanDerWaalsContact O-N 3.11Å; S35-S37 PolarHBondContact OG-N 3.47Å; S35-S37 PolarHBondContact OG-OG 2.79Å
38H87.6Confident92.8Very high97 Ų9748.2 Ų48.245%0.44926%0.258SS..Hα-helixtrans-71.9-29.9179.1-60.4145.3000113.1L34 S35 W36L34-H38 HydrophobicContact CD2-CB 4.4Å; S35-H38 PolarHBondContact N-ND1 2.63Å; S35-H38 PolarHBondContact O-N 3.37Å; S35-H38 VanDerWaalsContact O-N 3.09Å; S35-H38 PolarHBondContact OG-CE1 2.86Å; S35-H38 PolarHBondContact OG-ND1 2.75Å; W36-H38 VanDerWaalsContact C-N 3.25Å; W36-H38 PolarHBondContact O-N 2.6Å
39I91.8Very high92.9Very high1 Ų151 Ų511%0.00527%0.27CS..Hα-helixtrans-118.7-13.4-169.853.272000114.2I24 L34 W36 G41 K42 L43 W52I24-I39 HydrophobicContact CD1-CB 4.41Å; I24-I39 HydrophobicContact CD1-CG2 4.33Å; L34-I39 HydrophobicContact CD1-CG2 4.07Å; W36-I39 HydrophobicContact CD2-CD1 4.04Å; W36-I39 HydrophobicContact CE3-CD1 3.12Å; W36-I39 HydrophobicContact CE3-CG1 4.48Å; W36-I39 HydrophobicContact CH2-CD1 4.21Å; W36-I39 HydrophobicContact CZ3-CD1 3.2Å; W36-I39 PolarHBondContact O-N 3.11Å; I39-G41 VanDerWaalsContact C-N 3.28Å; I39-G41 PolarHBondContact O-N 3.13Å; I39-K42 PolarHBondContact O-N 3.2Å; I39-K42 VanDerWaalsContact O-N 3.1Å; I39-L43 HydrophobicContact CD1-CD1 3.87Å; I39-W52 HydrophobicContact CD1-CD2 3.87Å; I39-W52 HydrophobicContact CD1-CE3 4.32Å; I39-W52 HydrophobicContact CD1-CG 4.1Å; I39-W52 HydrophobicContact CD1-CZ2 4.42Å; I39-W52 HydrophobicContact CG1-CD2 4.38Å; I39-W52 HydrophobicContact CG1-CH2 4.45Å; I39-W52 HydrophobicContact CG1-CZ2 4.03Å
40K93.4Very high93Very high89 Ų8952.8 Ų52.839%0.38728%0.275SS..G310 helixtrans-55.1-39.9-177.466.7177.3-177.1172.60113.4W36 K42 L43 Q44W36-K40 HydrophobicContact CD2-CB 4.03Å; W36-K40 VanDerWaalsContact CE2-CB 3.49Å; W36-K40 HydrophobicContact CG-CB 4.31Å; W36-K40 HydrophobicContact CH2-CB 4.48Å; W36-K40 HydrophobicContact CZ2-CB 3.78Å; W36-K40 VanDerWaalsContact O-CB 3.25Å; W36-K40 WeakPolarHBondContact O-CB 3.5Å; W36-K40 PolarHBondContact O-N 3.11Å; K40-K42 PolarHBondContact O-N 2.81Å; K40-K42 VanDerWaalsContact O-N 3.13Å; K40-L43 PolarHBondContact O-N 3.1Å; K40-Q44 HydrophobicContact CB-CG 4.21Å; K40-Q44 WeakPolarHBondContact O-CB 3.44Å; K40-Q44 WeakPolarHBondContact O-CG 3.37Å; K40-Q44 PolarHBondContact O-N 3.3Å
41G92.9Very high93.1Very high14 Ų1455.6 Ų55.614%0.14429%0.293CS..G310 helixtrans-66.3-16.6-176.500000114.4D14 S15 I39D14-G41 CarbonylContact C-O 3.53Å; D14-G41 VanDerWaalsContact CA-O 3.28Å; D14-G41 WeakPolarHBondContact CA-O 3.47Å; D14-G41 WeakPolarHBondContact CB-O 3.41Å; D14-G41 VanDerWaalsContact CG-CA 3.49Å; D14-G41 VanDerWaalsContact OD1-CA 3.31Å; D14-G41 WeakPolarHBondContact OD1-CA 3.19Å; S15-G41 PolarHBondContact N-O 3.44Å; I39-G41 VanDerWaalsContact C-N 3.28Å; I39-G41 PolarHBondContact O-N 3.13Å
42K94.2Very high93.1Very high10 Ų1055.8 Ų55.84%0.04329%0.293CS..G310 helixtrans-97.2-8.1177.6-62.4171.217363.60113.2S12 S15 P17 I39 K40 V112 E152S12-K42 WeakPolarHBondContact OG-CE 3.25Å; S15-K42 CarbonylContact O-C 3.55Å; S15-K42 WeakPolarHBondContact O-CA 3.42Å; P17-K42 WeakPolarHBondContact CD-O 3.11Å; P17-K42 WeakPolarHBondContact CG-O 3.5Å; I39-K42 PolarHBondContact O-N 3.2Å; I39-K42 VanDerWaalsContact O-N 3.1Å; K40-K42 PolarHBondContact O-N 2.81Å; K40-K42 VanDerWaalsContact O-N 3.13Å; K42-V112 HydrophobicContact CD-CG2 3.69Å; K42-E152 VanDerWaalsContact CE-CD 3.46Å; K42-E152 WeakPolarHBondContact CE-OE1 3.38Å; K42-E152 WeakPolarHBondContact CE-OE2 3.33Å; K42-E152 IonicContact NZ-OE1 2.75Å; K42-E152 PolarHBondContact NZ-OE1 2.87Å; K42-E152 IonicContact NZ-OE2 3.45Å; K42-E152 PolarHBondContact NZ-OE2 3.06Å
43L95.1Very high93.2Very high0 Ų055.6 Ų55.60%029%0.292CS..THydrogen-bonded Turntrans-128.3-30.3-165.7-73-167.2000112.9P17 V22 I24 W36 I39 K40 V46 V47 W52 L69 A74P17-L43 HydrophobicContact CG-CD2 4.35Å; V22-L43 HydrophobicContact CG1-CD2 3.9Å; I24-L43 HydrophobicContact CD1-CD1 4.24Å; I24-L43 HydrophobicContact CD1-CD2 4.44Å; W36-L43 HydrophobicContact CH2-CB 4.2Å; W36-L43 HydrophobicContact CH2-CD1 4.31Å; W36-L43 HydrophobicContact CZ3-CD1 4.07Å; I39-L43 HydrophobicContact CD1-CD1 3.87Å; K40-L43 PolarHBondContact O-N 3.1Å; L43-V46 VanDerWaalsContact O-CG2 3.23Å; L43-V46 WeakPolarHBondContact O-CG2 3.35Å; L43-V46 PolarHBondContact O-N 3.37Å; L43-V47 HydrophobicContact CB-CB 4.1Å; L43-V47 HydrophobicContact CD1-CG1 4.33Å; L43-V47 HydrophobicContact CD2-CG2 4.44Å; L43-V47 PolarHBondContact O-N 3.2Å; L43-W52 HydrophobicContact CD1-CE3 3.98Å; L43-W52 HydrophobicContact CD1-CZ3 4.48Å; L43-L69 HydrophobicContact CD1-CD1 4.12Å; L43-L69 HydrophobicContact CD2-CD1 4.16Å; L43-A74 HydrophobicContact CD2-CB 3.93Å
44Q93.1Very high93.4Very high93 Ų9352.5 Ų52.544%0.43529%0.287SS..THydrogen-bonded Turntrans-70.6152.1175.4-73.1-170.3-61.100111.3W36 K40W36-Q44 HydrophobicContact CZ2-CG 3.89Å; K40-Q44 HydrophobicContact CB-CG 4.21Å; K40-Q44 WeakPolarHBondContact O-CB 3.44Å; K40-Q44 WeakPolarHBondContact O-CG 3.37Å; K40-Q44 PolarHBondContact O-N 3.3Å
45P93.3Very high93.6Very high94 Ų9452.2 Ų52.261%0.6129%0.286SS*.THydrogen-bonded Turncis-83.6-5.8-4.734.1-34.1000113.8E16 V47E16-P45 VanDerWaalsContact OE1-CD 3.3Å; E16-P45 WeakPolarHBondContact OE1-CD 3.41Å; P45-V47 PolarHBondContact O-N 3.24Å
46V94.9Very high93.9Very high44 Ų4450.9 Ų50.927%0.26728%0.275SS..THydrogen-bonded Turntrans-76.6-20.7-165.9-63.70000115.3P17 L43 Y70P17-V46 HydrophobicContact CB-CG2 4.36Å; P17-V46 HydrophobicContact CG-CG2 3.64Å; L43-V46 VanDerWaalsContact O-CG2 3.23Å; L43-V46 WeakPolarHBondContact O-CG2 3.35Å; L43-V46 PolarHBondContact O-N 3.37Å; V46-Y70 HydrophobicContact CB-CD1 4.25Å; V46-Y70 HydrophobicContact CB-CD2 3.85Å; V46-Y70 HydrophobicContact CB-CE1 4.21Å; V46-Y70 HydrophobicContact CB-CE2 3.8Å; V46-Y70 HydrophobicContact CB-CG 4.07Å; V46-Y70 HydrophobicContact CG1-CE1 4.22Å; V46-Y70 HydrophobicContact CG1-CE2 4.17Å; V46-Y70 HydrophobicContact CG2-CD1 3.91Å; V46-Y70 HydrophobicContact CG2-CD2 4.2Å; V46-Y70 HydrophobicContact CG2-CE1 4.21Å; V46-Y70 HydrophobicContact CG2-CE2 4.48Å; V46-Y70 HydrophobicContact CG2-CG 3.9Å
47V95.1Very high94Very high2 Ų253.2 Ų53.21%0.01230%0.298CS..SBendtrans-119.4128.6172.5-1780000109W36 L43 P45 T51 L69W36-V47 WeakPolarHBondContact CH2-O 3.39Å; L43-V47 HydrophobicContact CB-CB 4.1Å; L43-V47 HydrophobicContact CD1-CG1 4.33Å; L43-V47 HydrophobicContact CD2-CG2 4.44Å; L43-V47 PolarHBondContact O-N 3.2Å; P45-V47 PolarHBondContact O-N 3.24Å; V47-T51 HydrophobicContact CG1-CG2 3.99Å; V47-L69 HydrophobicContact CG1-CB 4.49Å; V47-L69 HydrophobicContact CG2-CB 4.03Å
48S95.8Very high94.2Very high46 Ų4653.9 Ų53.932%0.32230%0.299SS..  trans-87165.7176.4900000111.9E50 T51 W52S48-E50 WeakPolarHBondContact CB-OE2 3.31Å; S48-E50 PolarHBondContact O-N 3.46Å; S48-E50 PolarHBondContact OG-N 3.14Å; S48-E50 PolarHBondContact OG-OE2 3.33Å; S48-T51 PolarHBondContact O-N 3.18Å; S48-T51 PolarHBondContact OG-N 3.1Å; S48-T51 PolarHBondContact OG-OG1 3.41Å; S48-W52 PolarHBondContact O-N 3.19Å; S48-W52 VanDerWaalsContact O-N 3.07Å
49K95.9Very high94.6Very high93 Ų9349.4 Ų49.440%0.40428%0.279SS..Hα-helixtrans-59.5-38.4175.1-178.4-178.9175.7-171.40111.4W36 W52 Q53W36-K49 HydrophobicContact CB-CD 4.14Å; W36-K49 HydrophobicContact CB-CG 4.04Å; W36-K49 HydrophobicContact CD2-CB 3.78Å; W36-K49 HydrophobicContact CD2-CG 3.95Å; W36-K49 HydrophobicContact CE3-CB 4.22Å; W36-K49 HydrophobicContact CE3-CG 4.33Å; W36-K49 HydrophobicContact CG-CB 3.99Å; W36-K49 HydrophobicContact CG-CD 4.05Å; W36-K49 HydrophobicContact CG-CG 3.77Å; W36-K49 HydrophobicContact CZ2-CB 4.41Å; K49-W52 PolarHBondContact O-N 3.38Å; K49-Q53 WeakPolarHBondContact O-CG 3.37Å; K49-Q53 PolarHBondContact O-N 2.86Å
50E95.9Very high94.6Very high121 Ų12155.3 Ų55.357%0.56531%0.31SS*.Hα-helixtrans-66.7-43.8-179.8-57.767.6-142.100110.5S48 W52 Q53 A54S48-E50 WeakPolarHBondContact CB-OE2 3.31Å; S48-E50 PolarHBondContact O-N 3.46Å; S48-E50 PolarHBondContact OG-N 3.14Å; S48-E50 PolarHBondContact OG-OE2 3.33Å; E50-W52 VanDerWaalsContact C-N 3.34Å; E50-W52 PolarHBondContact O-N 3.07Å; E50-Q53 PolarHBondContact O-N 3.37Å; E50-A54 WeakPolarHBondContact O-CB 3.47Å; E50-A54 PolarHBondContact O-N 3.33Å
51T95.4Very high94.5Very high65 Ų6551.7 Ų51.740%0.39930%0.296SS..Hα-helixtrans-61-42.7174.6-53.80000111.7V47 S48 A54 A55V47-T51 HydrophobicContact CG1-CG2 3.99Å; S48-T51 PolarHBondContact O-N 3.18Å; S48-T51 PolarHBondContact OG-N 3.1Å; S48-T51 PolarHBondContact OG-OG1 3.41Å; T51-A54 PolarHBondContact O-N 2.98Å; T51-A55 WeakPolarHBondContact O-CB 3.01Å; T51-A55 PolarHBondContact O-N 3.31Å
52W95.4Very high94.3Very high4 Ų457.9 Ų57.92%0.01533%0.326CS..Hα-helixtrans-61.1-47.8176167.9-101.4000112.5I24 L34 W36 I39 L43 S48 K49 E50 A54 A55 L56 L69 V76I24-W52 HydrophobicContact CD1-CH2 4.05Å; I24-W52 HydrophobicContact CD1-CZ3 3.7Å; I24-W52 HydrophobicContact CG2-CH2 4.04Å; L34-W52 HydrophobicContact CB-CZ2 4.36Å; L34-W52 HydrophobicContact CD1-CH2 4.25Å; L34-W52 HydrophobicContact CD1-CZ2 3.95Å; W36-W52 HydrophobicContact CE3-CB 3.88Å; W36-W52 AromaticContact CE3-CD1 3.87Å; W36-W52 AromaticContact CE3-CG 3.88Å; W36-W52 HydrophobicContact CE3-CG 3.88Å; W36-W52 HydrophobicContact CH2-CB 4.48Å; W36-W52 HydrophobicContact CZ3-CB 3.46Å; W36-W52 VanDerWaalsContact CZ3-CB 3.46Å; W36-W52 AromaticContact CZ3-CG 3.8Å; W36-W52 HydrophobicContact CZ3-CG 3.8Å; I39-W52 HydrophobicContact CD1-CD2 3.87Å; I39-W52 HydrophobicContact CD1-CE3 4.32Å; I39-W52 HydrophobicContact CD1-CG 4.1Å; I39-W52 HydrophobicContact CD1-CZ2 4.42Å; I39-W52 HydrophobicContact CG1-CD2 4.38Å; I39-W52 HydrophobicContact CG1-CH2 4.45Å; I39-W52 HydrophobicContact CG1-CZ2 4.03Å; L43-W52 HydrophobicContact CD1-CE3 3.98Å; L43-W52 HydrophobicContact CD1-CZ3 4.48Å; S48-W52 PolarHBondContact O-N 3.19Å; S48-W52 VanDerWaalsContact O-N 3.07Å; K49-W52 PolarHBondContact O-N 3.38Å; E50-W52 VanDerWaalsContact C-N 3.34Å; E50-W52 PolarHBondContact O-N 3.07Å; W52-A54 VanDerWaalsContact C-N 3.35Å; W52-A54 PolarHBondContact O-N 3.46Å; W52-A55 PolarHBondContact O-N 2.99Å; W52-L56 HydrophobicContact CD2-CD1 4.39Å; W52-L56 HydrophobicContact CD2-CG 4.36Å; W52-L56 HydrophobicContact CH2-CD2 4.07Å; W52-L56 HydrophobicContact CH2-CG 4.49Å; W52-L56 HydrophobicContact CZ2-CD1 3.69Å; W52-L56 HydrophobicContact CZ2-CD2 3.98Å; W52-L56 HydrophobicContact CZ2-CG 4.04Å; W52-L56 WeakPolarHBondContact O-CG 3.36Å; W52-L56 PolarHBondContact O-N 3.31Å; W52-L69 HydrophobicContact CE3-CD1 3.93Å; W52-L69 HydrophobicContact CE3-CD2 4.42Å; W52-L69 HydrophobicContact CZ3-CD1 3.99Å; W52-V76 HydrophobicContact CH2-CG2 4.13Å; W52-V76 HydrophobicContact CZ3-CB 4.11Å; W52-V76 HydrophobicContact CZ3-CG2 4.04Å
53Q95.1Very high94.1Very high107 Ų10759.9 Ų59.950%0.534%0.34SS..Hα-helixtrans-63-42177.8-72.5178.4-29.800111.8K49 E50 L56 S57K49-Q53 WeakPolarHBondContact O-CG 3.37Å; K49-Q53 PolarHBondContact O-N 2.86Å; E50-Q53 PolarHBondContact O-N 3.37Å; Q53-L56 PolarHBondContact O-N 3.25Å; Q53-S57 PolarHBondContact O-N 2.92Å
54A95.2Very high94.1Very high50 Ų5061.3 Ų61.341%0.41335%0.348SS..Hα-helixtrans-60.1-48.517500000111E50 T51 W52 L56 S57 T58E50-A54 WeakPolarHBondContact O-CB 3.47Å; E50-A54 PolarHBondContact O-N 3.33Å; T51-A54 PolarHBondContact O-N 2.98Å; W52-A54 VanDerWaalsContact C-N 3.35Å; W52-A54 PolarHBondContact O-N 3.46Å; A54-L56 PolarHBondContact O-N 3.05Å; A54-S57 PolarHBondContact O-N 3.39Å; A54-S57 VanDerWaalsContact O-N 3.1Å; A54-S57 PolarHBondContact O-OG 3Å; A54-T58 WeakPolarHBondContact O-CG2 3.33Å; A54-T58 PolarHBondContact O-N 3.01Å; A54-T58 VanDerWaalsContact O-N 3.11Å
55A95.3Very high94.3Very high7 Ų759.4 Ų59.46%0.05834%0.341CS..Hα-helixtrans-56.9-47.2177.600000112.1T51 W52 S57 T58 L59 C67 L69 V76T51-A55 WeakPolarHBondContact O-CB 3.01Å; T51-A55 PolarHBondContact O-N 3.31Å; W52-A55 PolarHBondContact O-N 2.99Å; A55-S57 VanDerWaalsContact C-N 3.28Å; A55-S57 PolarHBondContact O-N 3.48Å; A55-T58 PolarHBondContact O-N 2.88Å; A55-T58 VanDerWaalsContact O-N 3.14Å; A55-T58 PolarHBondContact O-OG1 3.42Å; A55-L59 PolarHBondContact O-N 3.4Å; A55-C67 HydrophobicContact CB-CB 4.34Å; A55-L69 HydrophobicContact CB-CD2 3.34Å; A55-V76 HydrophobicContact CB-CG1 4.17Å
56L95Very high94.5Very high16 Ų1657.1 Ų57.18%0.08433%0.328CS..Hα-helixtrans-61.1-35.6176.9-70.5-174.3000113.2L31 W52 Q53 A54 T58 L59 V76L31-L56 HydrophobicContact CB-CD2 3.92Å; W52-L56 HydrophobicContact CD2-CD1 4.39Å; W52-L56 HydrophobicContact CD2-CG 4.36Å; W52-L56 HydrophobicContact CH2-CD2 4.07Å; W52-L56 HydrophobicContact CH2-CG 4.49Å; W52-L56 HydrophobicContact CZ2-CD1 3.69Å; W52-L56 HydrophobicContact CZ2-CD2 3.98Å; W52-L56 HydrophobicContact CZ2-CG 4.04Å; W52-L56 WeakPolarHBondContact O-CG 3.36Å; W52-L56 PolarHBondContact O-N 3.31Å; Q53-L56 PolarHBondContact O-N 3.25Å; A54-L56 PolarHBondContact O-N 3.05Å; L56-T58 VanDerWaalsContact C-N 3.3Å; L56-L59 HydrophobicContact CD2-CD1 4.03Å; L56-V76 HydrophobicContact CD2-CG2 4.08Å
57S93.7Very high94.5Very high91 Ų9156.3 Ų56.364%0.63632%0.323SS*.Hα-helixtrans-71.9-23.6178740000113.6Q53 A54 A55Q53-S57 PolarHBondContact O-N 2.92Å; A54-S57 PolarHBondContact O-N 3.39Å; A54-S57 VanDerWaalsContact O-N 3.1Å; A54-S57 PolarHBondContact O-OG 3Å; A55-S57 VanDerWaalsContact C-N 3.28Å; A55-S57 PolarHBondContact O-N 3.48Å
58T94.6Very high94.6Very high87 Ų8760 Ų6053%0.53435%0.348SS..Hα-helixtrans-85-20.5178.960.50000114A54 A55 L56 N60A54-T58 WeakPolarHBondContact O-CG2 3.33Å; A54-T58 PolarHBondContact O-N 3.01Å; A54-T58 VanDerWaalsContact O-N 3.11Å; A55-T58 PolarHBondContact O-N 2.88Å; A55-T58 VanDerWaalsContact O-N 3.14Å; A55-T58 PolarHBondContact O-OG1 3.42Å; L56-T58 VanDerWaalsContact C-N 3.3Å; T58-N60 PolarHBondContact O-N 3.35Å
59L94.8Very high94.6Very high4 Ų458.6 Ų58.62%0.02134%0.336CS..  trans-62.9128-179.8-69.9169000110.5Q28 L31 A55 L56 D65 C67 V76 A78Q28-L59 PolarHBondContact NE2-O 2.71Å; L31-L59 HydrophobicContact CD1-CD1 4.21Å; A55-L59 PolarHBondContact O-N 3.4Å; L56-L59 HydrophobicContact CD2-CD1 4.03Å; L59-D65 WeakPolarHBondContact CA-OD2 3.35Å; L59-D65 HydrophobicContact CD2-CB 4.2Å; L59-C67 HydrophobicContact CD2-CB 4.06Å; L59-V76 HydrophobicContact CD1-CG1 4.21Å; L59-V76 HydrophobicContact CD1-CG2 4.08Å; L59-A78 HydrophobicContact CB-CB 4.31Å; L59-A78 HydrophobicContact CD1-CB 4.21Å; L59-A78 HydrophobicContact CD2-CB 4.3Å
60N93.3Very high94.5Very high125 Ų12556.9 Ų56.967%0.66833%0.328SS*.  trans-138.474.4176.9-171.923.2000110.5T58 N62 D65T58-N60 PolarHBondContact O-N 3.35Å; N60-N62 PolarHBondContact O-N 2.83Å; N60-N62 VanDerWaalsContact O-N 3.15Å; N60-D65 PolarHBondContact N-OD2 3.13Å
61P91.4Very high94.3Very high12 Ų1257.1 Ų57.18%0.07833%0.332CS..  trans-63.7114.6-172.226.8-34.2000112.6Q28 D65 A78 L79Q28-P61 HydrophobicContact CB-CG 4.32Å; P61-D65 HydrophobicContact CB-CB 4.43Å; P61-A78 HydrophobicContact CB-CB 3.89Å; P61-A78 HydrophobicContact CG-CB 3.94Å; P61-L79 WeakPolarHBondContact CB-O 3.3Å
62N88.1Confident93.9Very high145 Ų14560.4 Ų60.478%0.77535%0.347SS*.SBendtrans-14784.4169.1-173.522.3000112.2N60N60-N62 PolarHBondContact O-N 2.83Å; N60-N62 VanDerWaalsContact O-N 3.15Å
63P90.1Very high93.8Very high52 Ų5262.9 Ų62.934%0.33836%0.359SS..SBendcis-84.2-19.4-2.133.4-35.3000113.5P80 F94P63-P80 HydrophobicContact CB-CG 4.27Å; P63-P80 WeakPolarHBondContact O-CA 3.27Å; P63-P80 WeakPolarHBondContact O-CB 3.15Å; P63-P80 VanDerWaalsContact O-CG 3.23Å; P63-P80 WeakPolarHBondContact O-CG 3.28Å; P63-F94 HydrophobicContact CB-CE1 3.9Å; P63-F94 HydrophobicContact CB-CZ 4.1Å; P63-F94 HydrophobicContact CG-CD1 4.43Å; P63-F94 HydrophobicContact CG-CE1 3.71Å; P63-F94 HydrophobicContact CG-CZ 4.3Å
64T95.6Very high93.9Very high29 Ų2957.8 Ų57.818%0.17834%0.335CS..  trans-136.1157.8179.654.60000109.4A78 P80 F94 R97 L98T64-A78 WeakPolarHBondContact CA-O 3.19Å; T64-A78 WeakPolarHBondContact CB-O 3.3Å; T64-P80 HydrophobicContact CG2-CG 4.27Å; T64-F94 HydrophobicContact CG2-CB 3.77Å; T64-F94 HydrophobicContact CG2-CD1 3.65Å; T64-F94 HydrophobicContact CG2-CG 3.96Å; T64-R97 PolarHBondContact OG1-NH2 3.37Å; T64-L98 HydrophobicContact CG2-CD1 3.99Å; T64-L98 HydrophobicContact CG2-CG 4.28Å
65D96.4Very high94Very high53 Ų5356 Ų5628%0.28332%0.319SS..EExtended strand (participates in β ladder)trans-144.9161.7175.2-16510.7000110.8L59 N60 P61 A77 A78L59-D65 WeakPolarHBondContact CA-OD2 3.35Å; L59-D65 HydrophobicContact CD2-CB 4.2Å; N60-D65 PolarHBondContact N-OD2 3.13Å; P61-D65 HydrophobicContact CB-CB 4.43Å; D65-A77 CarbonylContact O-C 3.55Å; D65-A77 WeakPolarHBondContact O-CA 3.44Å; D65-A78 PolarHBondContact N-O 2.89Å; D65-A78 VanDerWaalsContact N-O 3.16Å; D65-A78 PolarHBondContact O-N 2.74Å
66S96.8Very high94.1Very high47 Ų4755.6 Ų55.633%0.32932%0.316SS..EExtended strand (participates in β ladder)trans-150.5141.2175.764.80000112.4V76S66-V76 CarbonylContact C-O 3.59Å; S66-V76 VanDerWaalsContact CA-O 3.28Å; S66-V76 WeakPolarHBondContact CA-O 3.42Å
67C96.6Very high94.3Very high26 Ų2654.9 Ų54.918%0.17631%0.312CS..EExtended strand (participates in β ladder)trans-122.8118.5178.3-1730000109.8A55 L59 L69 V76A55-C67 HydrophobicContact CB-CB 4.34Å; L59-C67 HydrophobicContact CD2-CB 4.06Å; C67-L69 PolarHBondContact O-N 3.29Å; C67-V76 HydrophobicContact CB-CG1 3.85Å; C67-V76 PolarHBondContact N-O 3.02Å; C67-V76 WeakPolarHBondContact O-CG1 3.34Å; C67-V76 PolarHBondContact O-N 3.29Å
68P96.3Very high94.5Very high81 Ų8150.5 Ų50.553%0.52628%0.282SS..EExtended strand (participates in β ladder)trans-64.6130.5169.2-19.132.2000110.7
69L95.6Very high94.6Very high15 Ų1546.7 Ų46.78%0.07926%0.258CS..EExtended strand (participates in β ladder)trans-96.9-34.6179.8-63.5174.4000112.2L43 V47 W52 A55 C67 A74 V76L43-L69 HydrophobicContact CD1-CD1 4.12Å; L43-L69 HydrophobicContact CD2-CD1 4.16Å; V47-L69 HydrophobicContact CG1-CB 4.49Å; V47-L69 HydrophobicContact CG2-CB 4.03Å; W52-L69 HydrophobicContact CE3-CD1 3.93Å; W52-L69 HydrophobicContact CE3-CD2 4.42Å; W52-L69 HydrophobicContact CZ3-CD1 3.99Å; A55-L69 HydrophobicContact CB-CD2 3.34Å; C67-L69 PolarHBondContact O-N 3.29Å; L69-A74 HydrophobicContact CB-CB 3.92Å; L69-A74 PolarHBondContact N-O 2.86Å; L69-V76 HydrophobicContact CD1-CB 4.18Å; L69-V76 HydrophobicContact CD1-CG1 4.36Å; L69-V76 HydrophobicContact CD2-CG1 3.95Å; L69-V76 HydrophobicContact CG-CB 4.44Å; L69-V76 HydrophobicContact CG-CG1 4.15Å
70Y94.8Very high94.5Very high58 Ų5846.9 Ų46.923%0.22726%0.26CS..EExtended strand (participates in β ladder)trans-154.2105.5179.7-177.1-108.1000110.6P17 Q18 V46 N72 Q73 A74P17-Y70 HydrophobicContact CB-CD1 4.26Å; Q18-Y70 HydrophobicContact CG-CE1 3.81Å; Q18-Y70 PolarHBondContact NE2-OH 3.45Å; V46-Y70 HydrophobicContact CB-CD1 4.25Å; V46-Y70 HydrophobicContact CB-CD2 3.85Å; V46-Y70 HydrophobicContact CB-CE1 4.21Å; V46-Y70 HydrophobicContact CB-CE2 3.8Å; V46-Y70 HydrophobicContact CB-CG 4.07Å; V46-Y70 HydrophobicContact CG1-CE1 4.22Å; V46-Y70 HydrophobicContact CG1-CE2 4.17Å; V46-Y70 HydrophobicContact CG2-CD1 3.91Å; V46-Y70 HydrophobicContact CG2-CD2 4.2Å; V46-Y70 HydrophobicContact CG2-CE1 4.21Å; V46-Y70 HydrophobicContact CG2-CE2 4.48Å; V46-Y70 HydrophobicContact CG2-CG 3.9Å; Y70-N72 PolarHBondContact O-N 3.38Å; Y70-Q73 HydrophobicContact CD1-CB 4.22Å; Y70-Q73 PolarHBondContact O-N 2.74Å; Y70-A74 PolarHBondContact N-O 2.79Å; Y70-A74 PolarHBondContact O-N 3.47Å; Y70-A74 VanDerWaalsContact O-N 3.17Å
71L90.5Very high94Very high125 Ų12543.2 Ų43.265%0.65424%0.243SC*.THydrogen-bonded Turntrans47.2-135.3-177.1-56.8174.9000110.1
72N86.9Confident93.7Very high134 Ų13449.5 Ų49.572%0.71727%0.266SS*.THydrogen-bonded Turntrans-101.131.4169.6-73.9-16.7000112.1Y70 P104Y70-N72 PolarHBondContact O-N 3.38Å; N72-P104 WeakPolarHBondContact O-CB 3.45Å
73Q94.6Very high93.8Very high56 Ų5644.7 Ų44.726%0.26224%0.241SC..THydrogen-bonded Turntrans-118.2-23.2-174.8-59-63.33.900113.9P17 P21 V22 Y70P17-Q73 HydrophobicContact CB-CB 3.99Å; P21-Q73 CarbonylContact C-O 3.5Å; P21-Q73 WeakPolarHBondContact CA-O 3.49Å; P21-Q73 WeakPolarHBondContact CB-O 3.4Å; P21-Q73 VanDerWaalsContact CB-OE1 3.31Å; V22-Q73 PolarHBondContact N-O 3.24Å; Y70-Q73 HydrophobicContact CD1-CB 4.22Å; Y70-Q73 PolarHBondContact O-N 2.74Å
74A96.8Very high94Very high0 Ų045.6 Ų45.60%025%0.249CC..EExtended strand (participates in β ladder)trans-133.9131.1171.300000110.3P17 V22 L43 L69 Y70P17-A74 HydrophobicContact CB-CB 3.99Å; P17-A74 HydrophobicContact CG-CB 3.97Å; V22-A74 HydrophobicContact CG1-CB 3.77Å; V22-A74 WeakPolarHBondContact O-CA 3.29Å; L43-A74 HydrophobicContact CD2-CB 3.93Å; L69-A74 HydrophobicContact CB-CB 3.92Å; L69-A74 PolarHBondContact N-O 2.86Å; Y70-A74 PolarHBondContact N-O 2.79Å; Y70-A74 PolarHBondContact O-N 3.47Å; Y70-A74 VanDerWaalsContact O-N 3.17Å
75V97.6Very high93.9Very high12 Ų1252.3 Ų52.37%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-137.9139.1-179.6-177.10000109.8V22 L23 I24 C102 P104V22-V75 PolarHBondContact O-N 3.04Å; L23-V75 WeakPolarHBondContact CA-O 3.44Å; L23-V75 HydrophobicContact CD1-CB 3.94Å; L23-V75 HydrophobicContact CD1-CG1 3.98Å; I24-V75 PolarHBondContact N-O 3.26Å; V75-C102 HydrophobicContact CG1-CB 4.23Å; V75-P104 HydrophobicContact CG2-CG 4.08Å
76V97.6Very high93.8Very high0 Ų052.6 Ų52.60%027%0.271CS..EExtended strand (participates in β ladder)trans-107.6137.2164.562.60000109.8I24 L31 W52 A55 L56 L59 S66 C67 L69I24-V76 HydrophobicContact CB-CG2 4.47Å; I24-V76 CarbonylContact O-C 3.58Å; I24-V76 VanDerWaalsContact O-CA 3.24Å; I24-V76 WeakPolarHBondContact O-CA 3.31Å; L31-V76 HydrophobicContact CD1-CG2 4.18Å; L31-V76 HydrophobicContact CD2-CG2 4.32Å; W52-V76 HydrophobicContact CH2-CG2 4.13Å; W52-V76 HydrophobicContact CZ3-CB 4.11Å; W52-V76 HydrophobicContact CZ3-CG2 4.04Å; A55-V76 HydrophobicContact CB-CG1 4.17Å; L56-V76 HydrophobicContact CD2-CG2 4.08Å; L59-V76 HydrophobicContact CD1-CG1 4.21Å; L59-V76 HydrophobicContact CD1-CG2 4.08Å; S66-V76 CarbonylContact C-O 3.59Å; S66-V76 VanDerWaalsContact CA-O 3.28Å; S66-V76 WeakPolarHBondContact CA-O 3.42Å; C67-V76 HydrophobicContact CB-CG1 3.85Å; C67-V76 PolarHBondContact N-O 3.02Å; C67-V76 WeakPolarHBondContact O-CG1 3.34Å; C67-V76 PolarHBondContact O-N 3.29Å; L69-V76 HydrophobicContact CD1-CB 4.18Å; L69-V76 HydrophobicContact CD1-CG1 4.36Å; L69-V76 HydrophobicContact CD2-CG1 3.95Å; L69-V76 HydrophobicContact CG-CB 4.44Å; L69-V76 HydrophobicContact CG-CG1 4.15Å
77A97.8Very high93.8Very high0 Ų051.4 Ų51.40%026%0.26CS..EExtended strand (participates in β ladder)trans-133.6136.3-179.800000112.4L23 I24 L25 G26 D65 L98L23-A77 HydrophobicContact CD1-CB 4.15Å; I24-A77 PolarHBondContact O-N 2.65Å; L25-A77 VanDerWaalsContact CA-O 3.23Å; L25-A77 WeakPolarHBondContact CA-O 3.41Å; L25-A77 HydrophobicContact CB-CB 4.28Å; G26-A77 PolarHBondContact N-O 3.24Å; D65-A77 CarbonylContact O-C 3.55Å; D65-A77 WeakPolarHBondContact O-CA 3.44Å; A77-L98 HydrophobicContact CB-CD1 4.07Å; A77-L98 HydrophobicContact CB-CD2 4.25Å
78A97.7Very high93.8Very high0 Ų050.1 Ų50.10%025%0.252CS..EExtended strand (participates in β ladder)trans-99.612817900000111.5G26 L31 L59 P61 T64 D65G26-A78 WeakPolarHBondContact O-CA 3.26Å; L31-A78 HydrophobicContact CD1-CB 4.44Å; L59-A78 HydrophobicContact CB-CB 4.31Å; L59-A78 HydrophobicContact CD1-CB 4.21Å; L59-A78 HydrophobicContact CD2-CB 4.3Å; P61-A78 HydrophobicContact CB-CB 3.89Å; P61-A78 HydrophobicContact CG-CB 3.94Å; T64-A78 WeakPolarHBondContact CA-O 3.19Å; T64-A78 WeakPolarHBondContact CB-O 3.3Å; D65-A78 PolarHBondContact N-O 2.89Å; D65-A78 VanDerWaalsContact N-O 3.16Å; D65-A78 PolarHBondContact O-N 2.74Å
79L97Very high93.7Very high7 Ų748.7 Ų48.74%0.03724%0.243CC..EExtended strand (participates in β ladder)trans-74164.5167-67.7171.9000111G26 Q27 P61 S81 F94 L95 L98G26-L79 PolarHBondContact O-N 3.36Å; Q27-L79 HydrophobicContact CG-CB 4.21Å; P61-L79 WeakPolarHBondContact CB-O 3.3Å; L79-S81 PolarHBondContact O-N 3.07Å; L79-F94 HydrophobicContact CD2-CB 4.09Å; L79-L95 HydrophobicContact CD1-CD1 4.29Å; L79-L95 HydrophobicContact CD2-CB 3.93Å; L79-L98 HydrophobicContact CD2-CD1 3.84Å
80P93.9Very high93.6Very high8 Ų848 Ų485%0.05224%0.24CC..PPolyproline II helixtrans-57.2135.2173.5-16.527.7000111.2P63 T64 R82 F94P63-P80 HydrophobicContact CB-CG 4.27Å; P63-P80 WeakPolarHBondContact O-CA 3.27Å; P63-P80 WeakPolarHBondContact O-CB 3.15Å; P63-P80 VanDerWaalsContact O-CG 3.23Å; P63-P80 WeakPolarHBondContact O-CG 3.28Å; T64-P80 HydrophobicContact CG2-CG 4.27Å; P80-R82 VanDerWaalsContact C-N 3.28Å; P80-F94 HydrophobicContact CG-CB 4.18Å; P80-F94 HydrophobicContact CG-CD1 4.24Å; P80-F94 HydrophobicContact CG-CD2 3.42Å; P80-F94 VanDerWaalsContact CG-CD2 3.42Å; P80-F94 HydrophobicContact CG-CE2 3.75Å; P80-F94 HydrophobicContact CG-CG 3.68Å; P80-F94 HydrophobicContact CG-CZ 4.3Å
81S81.7Confident93.6Very high47 Ų4745.3 Ų45.333%0.32923%0.229SC..SBendtrans-78.6-12.1176.854.50000113.5L79L79-S81 PolarHBondContact O-N 3.07Å
82R85.8Confident93.8Very high145 Ų14539.5 Ų39.555%0.54720%0.199SC..  trans-142.3136.8180-60.6-174.8-171.3170.68.1110.6P80P80-R82 VanDerWaalsContact C-N 3.28Å
83V89.8Confident94.1Very high43 Ų4335.9 Ų35.926%0.26118%0.177SC..  trans-126.6156.8174.3-64.60000110.8N87 S91V83-N87 HydrophobicContact CB-CB 4.14Å; V83-S91 WeakPolarHBondContact CG1-OG 3.45Å
84S93.6Very high94.2Very high72 Ų7235.7 Ų35.750%0.50318%0.176SC..  trans-76.8160.2174.963.80000111.1H86 N87S84-H86 PolarHBondContact O-N 2.96Å; S84-N87 PolarHBondContact O-N 3.28Å
85R94.8Very high94.2Very high169 Ų16935.7 Ų35.764%0.63818%0.176SC*.THydrogen-bonded Turntrans-56.3-22.1178.571.4-179.4-175.1-116-4.4115.3R402R85-R402 WeakPolarHBondContact O-CD 3.49Å; R85-R402 PolarHBondContact O-NE 3.04Å; R85-R402 VanDerWaalsContact O-NE 3.11Å; R85-R402 PolarHBondContact O-NH1 3.11Å; R85-R402 VanDerWaalsContact O-NH1 3.16Å
86H95Very high94.2Very high59 Ų5935.4 Ų35.427%0.27317%0.174SC..THydrogen-bonded Turntrans-95.30.1178.7-64.5-64.1000112.9S84 H383 H409S84-H86 PolarHBondContact O-N 2.96Å; H86-H383 PolarHBondContact O-NE2 2.92Å; H86-H409 AromaticContact CE1-CD2 3.95Å; H86-H409 AromaticContact CE1-NE2 3.81Å; H86-H409 AromaticContact ND1-CD2 3.85Å
87N96.1Very high94.1Very high22 Ų2240.5 Ų40.512%0.11819%0.193CC..SBendtrans-102.6163.8177.8-166.116.9000110.6V83 S84 R402 L407V83-N87 HydrophobicContact CB-CB 4.14Å; S84-N87 PolarHBondContact O-N 3.28Å; N87-R402 PolarHBondContact O-NE 3.25Å; N87-L407 WeakPolarHBondContact OD1-CD1 3.21Å
88S95.7Very high94.1Very high0 Ų040.8 Ų40.80%020%0.195CC..  trans-75.1133.1172.7178.20000110.1A90 S91 R402S88-A90 PolarHBondContact O-N 2.81Å; S88-A90 PolarHBondContact OG-N 3Å; S88-S91 PolarHBondContact O-N 3.48Å; S88-R402 WeakPolarHBondContact CA-O 3.24Å; S88-R402 WeakPolarHBondContact CB-O 3.37Å; S88-R402 PolarHBondContact OG-O 3.45Å
89P94.1Very high94Very high50 Ų5040.9 Ų40.933%0.32520%0.195SC..THydrogen-bonded Turntrans-53-38171.3-25.835.6000112.9Q27 S91Q27-P89 PolarHBondContact NE2-O 2.65Å; Q27-P89 VanDerWaalsContact NE2-O 3.09Å; P89-S91 PolarHBondContact O-N 2.97Å; P89-S91 PolarHBondContact O-OG 3.34Å
90A94.6Very high93.9Very high2 Ų245.7 Ų45.72%0.01721%0.213CC..THydrogen-bonded Turntrans-63.4-9.6176.500000114.8S88 V92 D119 A122S88-A90 PolarHBondContact O-N 2.81Å; S88-A90 PolarHBondContact OG-N 3Å; A90-V92 HydrophobicContact CB-CG1 3.99Å; A90-V92 PolarHBondContact O-N 3.46Å; A90-V92 VanDerWaalsContact O-N 3.16Å; A90-D119 HydrophobicContact CB-CB 3.8Å; A90-D119 PolarHBondContact N-OD1 2.86Å; A90-A122 HydrophobicContact CB-CB 3.78Å
91S94.4Very high93.9Very high1 Ų149.3 Ų49.31%0.00724%0.239CC..  trans53.238177.7-65.90000114V83 S88 P89 H93 F94 L95V83-S91 WeakPolarHBondContact CG1-OG 3.45Å; S88-S91 PolarHBondContact O-N 3.48Å; P89-S91 PolarHBondContact O-N 2.97Å; P89-S91 PolarHBondContact O-OG 3.34Å; S91-H93 VanDerWaalsContact C-N 3.29Å; S91-H93 PolarHBondContact O-N 2.73Å; S91-F94 WeakPolarHBondContact O-CB 3.38Å; S91-F94 PolarHBondContact O-N 2.78Å; S91-L95 PolarHBondContact O-N 3.28Å; S91-L95 VanDerWaalsContact O-N 3.13Å
92V94.3Very high94.6Very high3 Ų348 Ų482%0.01823%0.229CC..Hα-helixtrans-50.2-38.3-167.3-68.90000115.7A90 F94 L95 S96 A122 A126 G405A90-V92 HydrophobicContact CB-CG1 3.99Å; A90-V92 PolarHBondContact O-N 3.46Å; A90-V92 VanDerWaalsContact O-N 3.16Å; V92-F94 VanDerWaalsContact C-N 3.33Å; V92-F94 PolarHBondContact O-N 2.68Å; V92-L95 WeakPolarHBondContact O-CB 3.34Å; V92-L95 PolarHBondContact O-N 2.81Å; V92-S96 PolarHBondContact O-N 2.94Å; V92-S96 PolarHBondContact O-OG 3.07Å; V92-A122 HydrophobicContact CG1-CB 3.68Å; V92-A122 WeakPolarHBondContact CG1-O 3.47Å; V92-A126 HydrophobicContact CB-CB 3.72Å; V92-A126 HydrophobicContact CG1-CB 3.93Å; V92-G405 WeakPolarHBondContact CG2-O 3.38Å
93H93.3Very high95.1Very high57 Ų5742.2 Ų42.226%0.26421%0.209SC..Hα-helixtrans-67.7-36.6-179-57.1-55.8000112S91 R97 Y382S91-H93 VanDerWaalsContact C-N 3.29Å; S91-H93 PolarHBondContact O-N 2.73Å; H93-R97 WeakPolarHBondContact O-CB 3.25Å; H93-R97 PolarHBondContact O-N 2.99Å; H93-R97 VanDerWaalsContact O-N 3.14Å; H93-Y382 AromaticContact CD2-CD1 3.87Å; H93-Y382 AromaticContact CE1-CD1 3.9Å; H93-Y382 AromaticContact CG-CD1 3.98Å; H93-Y382 AromaticContact ND1-CD1 4Å; H93-Y382 AromaticContact NE2-CD1 3.81Å
94F96.6Very high95.3Very high53 Ų5340.5 Ų40.523%0.23220%0.199CC..Hα-helixtrans-70.7-38.2174.2-65.8-73000110.9P63 T64 L79 P80 S91 V92 R97 L98P63-F94 HydrophobicContact CB-CE1 3.9Å; P63-F94 HydrophobicContact CB-CZ 4.1Å; P63-F94 HydrophobicContact CG-CD1 4.43Å; P63-F94 HydrophobicContact CG-CE1 3.71Å; P63-F94 HydrophobicContact CG-CZ 4.3Å; T64-F94 HydrophobicContact CG2-CB 3.77Å; T64-F94 HydrophobicContact CG2-CD1 3.65Å; T64-F94 HydrophobicContact CG2-CG 3.96Å; L79-F94 HydrophobicContact CD2-CB 4.09Å; P80-F94 HydrophobicContact CG-CB 4.18Å; P80-F94 HydrophobicContact CG-CD1 4.24Å; P80-F94 HydrophobicContact CG-CD2 3.42Å; P80-F94 VanDerWaalsContact CG-CD2 3.42Å; P80-F94 HydrophobicContact CG-CE2 3.75Å; P80-F94 HydrophobicContact CG-CG 3.68Å; P80-F94 HydrophobicContact CG-CZ 4.3Å; S91-F94 WeakPolarHBondContact O-CB 3.38Å; S91-F94 PolarHBondContact O-N 2.78Å; V92-F94 VanDerWaalsContact C-N 3.33Å; V92-F94 PolarHBondContact O-N 2.68Å; F94-R97 WeakPolarHBondContact O-CB 3.23Å; F94-R97 PolarHBondContact O-N 3.37Å; F94-L98 WeakPolarHBondContact O-CB 3.41Å; F94-L98 WeakPolarHBondContact O-CG 3.43Å; F94-L98 PolarHBondContact O-N 3.45Å
95L97.4Very high95.1Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-57.4-55.5175-166.7155.7000111.2L25 L79 S91 V92 R97 L98 I99 V113 A126 V127L25-L95 HydrophobicContact CD1-CD1 3.99Å; L25-L95 HydrophobicContact CD1-CD2 4.11Å; L25-L95 HydrophobicContact CD1-CG 3.52Å; L79-L95 HydrophobicContact CD1-CD1 4.29Å; L79-L95 HydrophobicContact CD2-CB 3.93Å; S91-L95 PolarHBondContact O-N 3.28Å; S91-L95 VanDerWaalsContact O-N 3.13Å; V92-L95 WeakPolarHBondContact O-CB 3.34Å; V92-L95 PolarHBondContact O-N 2.81Å; L95-R97 PolarHBondContact O-N 2.89Å; L95-L98 PolarHBondContact O-N 2.94Å; L95-I99 HydrophobicContact CD2-CD1 3.4Å; L95-I99 HydrophobicContact CD2-CG1 4.25Å; L95-I99 WeakPolarHBondContact O-CG1 3.4Å; L95-I99 PolarHBondContact O-N 3.13Å; L95-V113 HydrophobicContact CD1-CG1 4.34Å; L95-A126 HydrophobicContact CB-CB 4.27Å; L95-A126 HydrophobicContact CD2-CB 3.77Å; L95-A126 HydrophobicContact CG-CB 4.4Å; L95-V127 HydrophobicContact CD2-CG2 3.9Å
96S96.6Very high94.8Very high5 Ų533.9 Ų33.94%0.03519%0.186CC..Hα-helixtrans-59.4-36.8177.1-55.40000112.1V92 R100 A126V92-S96 PolarHBondContact O-N 2.94Å; V92-S96 PolarHBondContact O-OG 3.07Å; S96-R100 WeakPolarHBondContact O-CG 3.23Å; S96-R100 PolarHBondContact O-N 2.93Å; S96-R100 VanDerWaalsContact O-N 3.16Å; S96-A126 WeakPolarHBondContact OG-CA 3.46Å; S96-A126 PolarHBondContact OG-O 2.89Å
97R95.7Very high94.5Very high108 Ų10833.6 Ų33.641%0.40819%0.191SC..Hα-helixtrans-64.9-48.2177.9-175178.569.9160.14.9111.6T64 H93 F94 L95 I99 R100 S101T64-R97 PolarHBondContact OG1-NH2 3.37Å; H93-R97 WeakPolarHBondContact O-CB 3.25Å; H93-R97 PolarHBondContact O-N 2.99Å; H93-R97 VanDerWaalsContact O-N 3.14Å; F94-R97 WeakPolarHBondContact O-CB 3.23Å; F94-R97 PolarHBondContact O-N 3.37Å; L95-R97 PolarHBondContact O-N 2.89Å; R97-I99 VanDerWaalsContact C-N 3.34Å; R97-I99 PolarHBondContact O-N 3.03Å; R97-R100 PolarHBondContact O-N 2.86Å; R97-R100 VanDerWaalsContact O-N 3.15Å; R97-S101 PolarHBondContact O-N 3.44Å; R97-S101 PolarHBondContact O-OG 2.84Å; R97-S101 VanDerWaalsContact O-OG 3.12Å
98L97.3Very high94.4Very high5 Ų535.8 Ų35.83%0.02620%0.203CC..Hα-helixtrans-62.6-39.7178.4-74.4173.6000111.8T64 A77 L79 F94 L95 R100 S101 C102T64-L98 HydrophobicContact CG2-CD1 3.99Å; T64-L98 HydrophobicContact CG2-CG 4.28Å; A77-L98 HydrophobicContact CB-CD1 4.07Å; A77-L98 HydrophobicContact CB-CD2 4.25Å; L79-L98 HydrophobicContact CD2-CD1 3.84Å; F94-L98 WeakPolarHBondContact O-CB 3.41Å; F94-L98 WeakPolarHBondContact O-CG 3.43Å; F94-L98 PolarHBondContact O-N 3.45Å; L95-L98 PolarHBondContact O-N 2.94Å; L98-R100 VanDerWaalsContact C-N 3.29Å; L98-R100 PolarHBondContact O-N 3.19Å; L98-S101 WeakPolarHBondContact CA-OG 2.94Å; L98-S101 PolarHBondContact O-N 3.09Å; L98-S101 PolarHBondContact O-OG 3.35Å; L98-C102 WeakPolarHBondContact O-CA 3.29Å; L98-C102 WeakPolarHBondContact O-CB 3.4Å; L98-C102 PolarHBondContact O-N 2.98Å
99I97.3Very high94.4Very high3 Ų336.5 Ų36.52%0.01521%0.205CC..Hα-helixtrans-60.6-42174.4-67172.8000110.8L23 L25 L95 R97 L103 I111 V127 A130 F131L23-I99 HydrophobicContact CD2-CG1 4.12Å; L25-I99 HydrophobicContact CD2-CG1 4.3Å; L95-I99 HydrophobicContact CD2-CD1 3.4Å; L95-I99 HydrophobicContact CD2-CG1 4.25Å; L95-I99 WeakPolarHBondContact O-CG1 3.4Å; L95-I99 PolarHBondContact O-N 3.13Å; R97-I99 VanDerWaalsContact C-N 3.34Å; R97-I99 PolarHBondContact O-N 3.03Å; I99-L103 HydrophobicContact CG2-CB 4.44Å; I99-L103 HydrophobicContact CG2-CD2 4.19Å; I99-L103 WeakPolarHBondContact O-CB 3.47Å; I99-L103 PolarHBondContact O-N 3.23Å; I99-I111 HydrophobicContact CD1-CD1 4.17Å; I99-I111 HydrophobicContact CG1-CD1 4.38Å; I99-I111 HydrophobicContact CG2-CD1 3.92Å; I99-V127 HydrophobicContact CD1-CB 4.04Å; I99-V127 HydrophobicContact CD1-CG1 4.16Å; I99-V127 HydrophobicContact CD1-CG2 3.58Å; I99-A130 HydrophobicContact CB-CB 3.9Å; I99-A130 HydrophobicContact CG2-CB 3.51Å; I99-F131 HydrophobicContact CG2-CE2 4.04Å; I99-F131 HydrophobicContact CG2-CZ 3.79Å
100R94.6Very high94.5Very high108 Ų10834.1 Ų34.141%0.40819%0.19SC..Hα-helixtrans-68.3-34.2179.2-70.1-172.2-67.5-104.8-1.3113.3M1 S96 R97 L98 A130M1-R100 HydrophobicContact CE-CB 4.16Å; M1-R100 HydrophobicContact CE-CG 4.02Å; M1-R100 HydrophobicContact SD-CB 4.25Å; M1-R100 HydrophobicContact SD-CG 3.72Å; S96-R100 WeakPolarHBondContact O-CG 3.23Å; S96-R100 PolarHBondContact O-N 2.93Å; S96-R100 VanDerWaalsContact O-N 3.16Å; R97-R100 PolarHBondContact O-N 2.86Å; R97-R100 VanDerWaalsContact O-N 3.15Å; L98-R100 VanDerWaalsContact C-N 3.29Å; L98-R100 PolarHBondContact O-N 3.19Å; R100-A130 HydrophobicContact CG-CB 4.06Å
101S94.5Very high94.7Very high84 Ų8434 Ų3459%0.58719%0.189SC*.Hα-helixtrans-92.2-34.3-175.857.80000114.2R97 L98R97-S101 PolarHBondContact O-N 3.44Å; R97-S101 PolarHBondContact O-OG 2.84Å; R97-S101 VanDerWaalsContact O-OG 3.12Å; L98-S101 WeakPolarHBondContact CA-OG 2.94Å; L98-S101 PolarHBondContact O-N 3.09Å; L98-S101 PolarHBondContact O-OG 3.35Å
102C95.9Very high94.8Very high20 Ų2034 Ų3414%0.13519%0.189CC..Hα-helixtrans-111.5-14.3-166.3-57.70000113.4L23 V75 L98 P104L23-C102 HydrophobicContact CD1-CB 3.91Å; L23-C102 HydrophobicContact CD2-CB 4.48Å; V75-C102 HydrophobicContact CG1-CB 4.23Å; L98-C102 WeakPolarHBondContact O-CA 3.29Å; L98-C102 WeakPolarHBondContact O-CB 3.4Å; L98-C102 PolarHBondContact O-N 2.98Å; C102-P104 WeakPolarHBondContact O-CD 3.43Å
103L95.9Very high95Very high22 Ų2234 Ų3412%0.11519%0.189CC..SBendtrans-67.8118.2178.9-179.365.2000110.3L23 I99 R109 I111 F131L23-L103 HydrophobicContact CB-CD1 3.68Å; L23-L103 HydrophobicContact CD2-CB 4.07Å; L23-L103 HydrophobicContact CD2-CD1 4.42Å; I99-L103 HydrophobicContact CG2-CB 4.44Å; I99-L103 HydrophobicContact CG2-CD2 4.19Å; I99-L103 WeakPolarHBondContact O-CB 3.47Å; I99-L103 PolarHBondContact O-N 3.23Å; L103-R109 HydrophobicContact CD1-CB 4.47Å; L103-R109 VanDerWaalsContact CD2-NH1 3.3Å; L103-I111 HydrophobicContact CD1-CD1 4.44Å; L103-I111 HydrophobicContact CD1-CG1 3.87Å; L103-I111 HydrophobicContact CD2-CD1 4.16Å; L103-I111 HydrophobicContact CD2-CG1 4.43Å; L103-F131 HydrophobicContact CD2-CE1 3.95Å; L103-F131 HydrophobicContact CD2-CZ 3.58Å
104P93.4Very high95.1Very high8 Ų831.3 Ų31.35%0.05218%0.177CC..PPolyproline II helixtrans-50.2150.1174.8-37.544.9000115.2P21 N72 V75 C102 R109P21-P104 HydrophobicContact CB-CB 3.36Å; P21-P104 HydrophobicContact CB-CG 4.2Å; N72-P104 WeakPolarHBondContact O-CB 3.45Å; V75-P104 HydrophobicContact CG2-CG 4.08Å; C102-P104 WeakPolarHBondContact O-CD 3.43Å; P104-R109 WeakPolarHBondContact O-CD 3.43Å
105A89.8Confident95.1Very high81 Ų8129 Ų2967%0.66917%0.167SC*.PPolyproline II helixtrans-74.9140.2173.300000110.5
106G88.6Confident94.9Very high20 Ų2033 Ų3321%0.20619%0.186CC..  trans173.6165.3178.500000110.9
107S88.6Confident94.7Very high54 Ų5434.3 Ų34.338%0.37819%0.19SC..SBendtrans-85.3-33.6174.5-63.40000111.8K147 H148S107-K147 CarbonylContact O-C 3.59Å; S107-K147 VanDerWaalsContact O-CA 3.31Å; S107-K147 WeakPolarHBondContact O-CA 3.44Å; S107-H148 PolarHBondContact O-N 3.13Å
108N93.5Very high94.6Very high67 Ų6732.3 Ų32.336%0.35819%0.192SC..EExtended strand (participates in β ladder)trans-121.5117.1173.7-17516.7000109P21P21-N108 WeakPolarHBondContact CD-O 3.37Å
109R95.3Very high94.5Very high15 Ų1532.6 Ų32.66%0.05719%0.194CC..EExtended strand (participates in β ladder)trans-130.1153.6-171.3-62.9172-68.9164.26.2111.1P21 L103 P104 H148 V149 T150P21-R109 CarbonylContact O-C 3.5Å; P21-R109 WeakPolarHBondContact O-CA 3.47Å; L103-R109 HydrophobicContact CD1-CB 4.47Å; L103-R109 VanDerWaalsContact CD2-NH1 3.3Å; P104-R109 WeakPolarHBondContact O-CD 3.43Å; R109-H148 PolarHBondContact N-O 2.77Å; R109-V149 HydrophobicContact CB-CG2 4.39Å; R109-V149 WeakPolarHBondContact O-CA 3.37Å; R109-T150 PolarHBondContact O-N 2.88Å
110C97.1Very high94.5Very high1 Ų132.4 Ų32.41%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-119.4136.2177.1-172.60000111.1S12 R20 P21 V22 L23 T150S12-C110 PolarHBondContact OG-SG 3.2Å; R20-C110 HydrophobicContact CG-CB 4.02Å; P21-C110 PolarHBondContact O-N 3.26Å; V22-C110 WeakPolarHBondContact CA-O 3.43Å; V22-C110 HydrophobicContact CB-CB 4.3Å; V22-C110 HydrophobicContact CG2-CB 4.05Å; L23-C110 PolarHBondContact N-O 3.31Å; C110-T150 CarbonylContact C-O 3.57Å; C110-T150 WeakPolarHBondContact CA-O 3.47Å
111I98.1Very high94.6Very high0 Ų027.3 Ų27.30%017%0.174CC..EExtended strand (participates in β ladder)trans-116.7123.9168.4-59.7177.2000107.3L23 L25 I99 L103 V113 V127 F131 V149 T150 V151 E152L23-I111 CarbonylContact O-C 3.51Å; L23-I111 WeakPolarHBondContact O-CA 3.26Å; L25-I111 HydrophobicContact CD2-CG2 3.54Å; I99-I111 HydrophobicContact CD1-CD1 4.17Å; I99-I111 HydrophobicContact CG1-CD1 4.38Å; I99-I111 HydrophobicContact CG2-CD1 3.92Å; L103-I111 HydrophobicContact CD1-CD1 4.44Å; L103-I111 HydrophobicContact CD1-CG1 3.87Å; L103-I111 HydrophobicContact CD2-CD1 4.16Å; L103-I111 HydrophobicContact CD2-CG1 4.43Å; I111-V113 HydrophobicContact CG2-CG2 3.92Å; I111-V127 HydrophobicContact CD1-CG1 4.07Å; I111-F131 HydrophobicContact CD1-CE2 3.87Å; I111-F131 HydrophobicContact CD1-CZ 3.92Å; I111-V149 HydrophobicContact CD1-CG1 3.63Å; I111-V149 HydrophobicContact CG1-CG1 3.91Å; I111-T150 PolarHBondContact N-O 2.91Å; I111-V151 WeakPolarHBondContact O-CA 3.4Å; I111-E152 PolarHBondContact O-N 2.83Å
112V97.5Very high94.8Very high1 Ų123.4 Ų23.41%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-109.3113.5172.7-174.50000107.9V22 L23 I24 L25 K42 V114 E152 V154V22-V112 HydrophobicContact CG2-CG2 4.19Å; L23-V112 PolarHBondContact O-N 2.98Å; I24-V112 CarbonylContact C-O 3.55Å; I24-V112 WeakPolarHBondContact CA-O 3.48Å; I24-V112 HydrophobicContact CB-CB 4.46Å; I24-V112 HydrophobicContact CG1-CB 4.15Å; I24-V112 HydrophobicContact CG1-CG2 4.32Å; I24-V112 HydrophobicContact CG2-CB 4.28Å; I24-V112 HydrophobicContact CG2-CG1 4.45Å; L25-V112 PolarHBondContact N-O 3.04Å; K42-V112 HydrophobicContact CD-CG2 3.69Å; V112-V114 HydrophobicContact CG1-CG2 4.33Å; V112-E152 CarbonylContact C-O 3.59Å; V112-E152 WeakPolarHBondContact CA-O 3.39Å; V112-V154 HydrophobicContact CG1-CG2 3.76Å
113V97.6Very high94.9Very high1 Ų122.5 Ų22.51%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-99.7125.6176.7-175.40000109L25 L95 I111 C115 V127 V151 E152 F153 V154L25-V113 HydrophobicContact CD2-CG2 4.47Å; L25-V113 HydrophobicContact CG-CG2 4.45Å; L25-V113 CarbonylContact O-C 3.5Å; L25-V113 WeakPolarHBondContact O-CA 3.46Å; L95-V113 HydrophobicContact CD1-CG1 4.34Å; I111-V113 HydrophobicContact CG2-CG2 3.92Å; V113-C115 HydrophobicContact CG1-CB 4.43Å; V113-V127 HydrophobicContact CG2-CG2 4.2Å; V113-V151 HydrophobicContact CG2-CG1 4.39Å; V113-E152 PolarHBondContact N-O 2.95Å; V113-F153 HydrophobicContact CB-CD1 3.73Å; V113-F153 HydrophobicContact CB-CE1 3.7Å; V113-F153 HydrophobicContact CG1-CD1 4.02Å; V113-F153 HydrophobicContact CG1-CE1 3.8Å; V113-F153 HydrophobicContact CG2-CE1 4.16Å; V113-F153 CarbonylContact O-C 3.05Å; V113-F153 WeakPolarHBondContact O-CA 3.39Å; V113-V154 PolarHBondContact O-N 2.88Å
114V96.4Very high95Very high1 Ų121.5 Ų21.51%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-112.5105.9-177-169.70000108.2I24 L25 G26 N30 L31 L34 V112 V154 V156I24-V114 HydrophobicContact CG2-CG2 4.11Å; L25-V114 PolarHBondContact O-N 3.35Å; G26-V114 VanDerWaalsContact CA-O 3.26Å; G26-V114 WeakPolarHBondContact CA-O 3.39Å; N30-V114 HydrophobicContact CB-CG1 4.08Å; L31-V114 HydrophobicContact CD2-CB 4.09Å; L31-V114 HydrophobicContact CD2-CG2 3.88Å; L34-V114 HydrophobicContact CD1-CB 4.46Å; L34-V114 HydrophobicContact CD1-CG1 4.08Å; L34-V114 HydrophobicContact CD1-CG2 3.61Å; L34-V114 HydrophobicContact CD2-CG1 3.93Å; L34-V114 HydrophobicContact CD2-CG2 4.41Å; L34-V114 HydrophobicContact CG-CG1 3.89Å; L34-V114 HydrophobicContact CG-CG2 4.32Å; V112-V114 HydrophobicContact CG1-CG2 4.33Å; V114-V154 WeakPolarHBondContact CA-O 3.17Å; V114-V154 HydrophobicContact CG2-CB 4.45Å; V114-V156 HydrophobicContact CG1-CG1 3.9Å
115C95.4Very high95.3Very high6 Ų621.1 Ų21.14%0.04113%0.133CC..EExtended strand (participates in β ladder)trans-150.3170.3-171.266.50000112.2V113 D119 V154 V155 V156V113-C115 HydrophobicContact CG1-CB 4.43Å; C115-D119 HydrophobicContact CB-CB 3.97Å; C115-V154 PolarHBondContact N-O 2.87Å; C115-V155 WeakPolarHBondContact O-CA 3.29Å; C115-V156 PolarHBondContact O-N 3.06Å
116E93.6Very high95.7Very high82 Ų8217.3 Ų17.338%0.38310%0.101SC..  trans-72.5161.2166.9-66.1-177.8-178.700110.3S118 D119 V156 D157E116-S118 VanDerWaalsContact C-N 3.27Å; E116-S118 PolarHBondContact O-N 3.33Å; E116-D119 PolarHBondContact O-N 3.15Å; E116-D119 VanDerWaalsContact O-N 3.1Å; E116-V156 HydrophobicContact CG-CG2 4.19Å; E116-D157 WeakPolarHBondContact CA-OD1 3.19Å; E116-D157 HydrophobicContact CG-CB 4.29Å
117R92.8Very high96.2Very high34 Ų3416.3 Ų16.313%0.1289%0.091CC..G310 helixtrans-61-38.9-176.6-171.856.3168.1-149.3-10.7112.3D119 V120 V155 D157 E167R117-D119 PolarHBondContact O-N 3.46Å; R117-V120 WeakPolarHBondContact O-CB 3.47Å; R117-V120 WeakPolarHBondContact O-CG2 3.38Å; R117-V120 PolarHBondContact O-N 2.9Å; R117-V155 HydrophobicContact CB-CG1 3.88Å; R117-D157 PolarHBondContact N-OD1 3.08Å; R117-D157 PolarHBondContact N-OD2 3.03Å; R117-E167 IonicContact CZ-OE1 3.96Å; R117-E167 IonicContact CZ-OE2 2.7Å; R117-E167 IonicContact NE-OE1 2.62Å; R117-E167 IonicContact NH2-OE1 2.82Å; R117-E167 PolarHBondContact NH2-OE1 3.23Å; R117-E167 IonicContact NH2-OE2 3.01Å; R117-E167 PolarHBondContact NH2-OE2 2.89Å
118S92.7Very high96.6Very high65 Ų6513.8 Ų13.846%0.4557%0.073SC..G310 helixtrans-62.9-23.2178.352.40000113.8E116E116-S118 VanDerWaalsContact C-N 3.27Å; E116-S118 PolarHBondContact O-N 3.33Å
119D95.4Very high96.8Very high11 Ų1112.1 Ų12.16%0.0596%0.062CC..G310 helixtrans-93.2-7.8-176.3-75.8-15.2000113.3A90 C115 E116 R117 F121 S123A90-D119 HydrophobicContact CB-CB 3.8Å; A90-D119 PolarHBondContact N-OD1 2.86Å; C115-D119 HydrophobicContact CB-CB 3.97Å; E116-D119 PolarHBondContact O-N 3.15Å; E116-D119 VanDerWaalsContact O-N 3.1Å; R117-D119 PolarHBondContact O-N 3.46Å; D119-F121 PolarHBondContact O-N 3.05Å; D119-S123 WeakPolarHBondContact O-CB 3.39Å; D119-S123 PolarHBondContact O-N 2.81Å; D119-S123 PolarHBondContact O-OG 2.84Å
120V97.1Very high96.9Very high0 Ų011.4 Ų11.40%06%0.059CC..Hα-helixtrans-60-48.4-174.7172.50000111.3R117 S123 A124 F153 V155 L163 L171 M495R117-V120 WeakPolarHBondContact O-CB 3.47Å; R117-V120 WeakPolarHBondContact O-CG2 3.38Å; R117-V120 PolarHBondContact O-N 2.9Å; V120-S123 PolarHBondContact O-N 2.85Å; V120-A124 WeakPolarHBondContact O-CB 3.4Å; V120-A124 PolarHBondContact O-N 3.13Å; V120-F153 HydrophobicContact CB-CD1 4.43Å; V120-F153 HydrophobicContact CG1-CD1 4.01Å; V120-F153 HydrophobicContact CG1-CD2 4.24Å; V120-F153 HydrophobicContact CG1-CE1 4.06Å; V120-F153 HydrophobicContact CG1-CE2 4.27Å; V120-F153 HydrophobicContact CG1-CG 4.1Å; V120-F153 HydrophobicContact CG1-CZ 4.19Å; V120-F153 HydrophobicContact CG2-CD1 4.17Å; V120-V155 HydrophobicContact CG2-CG2 4.13Å; V120-L163 HydrophobicContact CG1-CD1 4.12Å; V120-L163 HydrophobicContact CG1-CD2 4.01Å; V120-L171 HydrophobicContact CG1-CD1 3.76Å; V120-L171 HydrophobicContact CG1-CD2 4.25Å; V120-M495 HydrophobicContact CB-CE 4.35Å; V120-M495 HydrophobicContact CG1-CE 3.82Å
121F98.2Very high96.8Very high1 Ų111.4 Ų11.40%0.0046%0.059CC..Hα-helixtrans-60.6-53.8-178-179.9-106.8000111.7D119 S123 A124 C125 L171 A174 A481 M484 A485 M495 L496 V499D119-F121 PolarHBondContact O-N 3.05Å; F121-S123 VanDerWaalsContact C-N 3.29Å; F121-S123 PolarHBondContact O-N 3.27Å; F121-A124 PolarHBondContact O-N 3.22Å; F121-C125 PolarHBondContact O-N 2.87Å; F121-C125 VanDerWaalsContact O-N 3.1Å; F121-C125 PolarHBondContact O-SG 3.38Å; F121-L171 HydrophobicContact CD2-CD2 4.28Å; F121-A174 HydrophobicContact CE2-CB 3.91Å; F121-A174 HydrophobicContact CZ-CB 4.48Å; F121-A481 HydrophobicContact CE1-CB 4.22Å; F121-A481 HydrophobicContact CZ-CB 4.44Å; F121-M484 HydrophobicContact CE2-CE 4.45Å; F121-M484 HydrophobicContact CZ-CB 3.89Å; F121-M484 HydrophobicContact CZ-SD 4.34Å; F121-A485 HydrophobicContact CE1-CB 4.3Å; F121-M495 HydrophobicContact CB-CG 4.33Å; F121-M495 HydrophobicContact CB-SD 4.09Å; F121-M495 HydrophobicContact CD2-SD 4.27Å; F121-L496 HydrophobicContact CD2-CD2 4.16Å; F121-L496 HydrophobicContact CE2-CD2 3.64Å; F121-L496 HydrophobicContact CZ-CD2 3.95Å; F121-V499 HydrophobicContact CB-CG1 4.05Å; F121-V499 HydrophobicContact CD1-CG1 4.42Å; F121-V499 HydrophobicContact CD1-CG2 4.11Å; F121-V499 HydrophobicContact CE1-CG2 4.46Å; F121-V499 HydrophobicContact CG-CG1 4.46Å; F121-V499 HydrophobicContact CG-CG2 4.46Å
122A98.2Very high96.6Very high1 Ų112.4 Ų12.41%0.0087%0.066CC..Hα-helixtrans-57.8-42.1177.400000112.3A90 V92 C125 A126 S403 S404A90-A122 HydrophobicContact CB-CB 3.78Å; V92-A122 HydrophobicContact CG1-CB 3.68Å; V92-A122 WeakPolarHBondContact CG1-O 3.47Å; A122-C125 PolarHBondContact O-N 3.38Å; A122-A126 WeakPolarHBondContact O-CB 3.48Å; A122-A126 PolarHBondContact O-N 2.75Å; A122-S403 WeakPolarHBondContact CB-O 3.4Å; A122-S404 WeakPolarHBondContact CA-O 3.44Å
123S98.4Very high96.5Very high2 Ų215.7 Ų15.71%0.0148%0.083CC..Hα-helixtrans-65.7-40.7179.5-63.90000112.2D119 V120 F121 A126 V127D119-S123 WeakPolarHBondContact O-CB 3.39Å; D119-S123 PolarHBondContact O-N 2.81Å; D119-S123 PolarHBondContact O-OG 2.84Å; V120-S123 PolarHBondContact O-N 2.85Å; F121-S123 VanDerWaalsContact C-N 3.29Å; F121-S123 PolarHBondContact O-N 3.27Å; S123-A126 WeakPolarHBondContact O-CB 3.43Å; S123-A126 PolarHBondContact O-N 3.32Å; S123-V127 VanDerWaalsContact O-CG2 3.28Å; S123-V127 WeakPolarHBondContact O-CG2 3.23Å; S123-V127 PolarHBondContact O-N 3.09Å
124A98.5Very high96.3Very high0 Ų017 Ų170%09%0.088CC..Hα-helixtrans-63.1-45.2176.200000111.9F8 V120 F121 A126 V127 A128 F153 L171F8-A124 HydrophobicContact CE1-CB 3.71Å; F8-A124 HydrophobicContact CZ-CB 3.99Å; V120-A124 WeakPolarHBondContact O-CB 3.4Å; V120-A124 PolarHBondContact O-N 3.13Å; F121-A124 PolarHBondContact O-N 3.22Å; A124-A126 VanDerWaalsContact C-N 3.3Å; A124-A126 PolarHBondContact O-N 2.75Å; A124-V127 WeakPolarHBondContact O-CB 3.35Å; A124-V127 PolarHBondContact O-N 2.67Å; A124-A128 PolarHBondContact O-N 2.76Å; A124-F153 HydrophobicContact CB-CE2 4.24Å; A124-F153 HydrophobicContact CB-CZ 3.82Å; A124-L171 HydrophobicContact CB-CB 4.07Å; A124-L171 HydrophobicContact CB-CD1 4.07Å; A124-L171 HydrophobicContact CB-CD2 3.61Å; A124-L171 HydrophobicContact CB-CG 4.1Å
125C98.6Very high96.1Very high1 Ų118.8 Ų18.81%0.00710%0.099CC..Hα-helixtrans-59-44.4173.4-660000110.5F121 A122 V127 A128 R129 V178 A481F121-C125 PolarHBondContact O-N 2.87Å; F121-C125 VanDerWaalsContact O-N 3.1Å; F121-C125 PolarHBondContact O-SG 3.38Å; A122-C125 PolarHBondContact O-N 3.38Å; C125-V127 VanDerWaalsContact C-N 3.33Å; C125-V127 PolarHBondContact O-N 3.35Å; C125-A128 WeakPolarHBondContact O-CB 3.49Å; C125-A128 PolarHBondContact O-N 3.14Å; C125-A128 VanDerWaalsContact O-N 3.1Å; C125-R129 WeakPolarHBondContact O-CG 3.39Å; C125-R129 PolarHBondContact O-N 3.33Å; C125-R129 VanDerWaalsContact O-N 3.13Å; C125-V178 HydrophobicContact CB-CG2 4.42Å; C125-A481 HydrophobicContact CB-CB 4.08Å
126A98.3Very high95.9Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-62.2-35.817700000113.7V92 L95 S96 A122 S123 A124V92-A126 HydrophobicContact CB-CB 3.72Å; V92-A126 HydrophobicContact CG1-CB 3.93Å; L95-A126 HydrophobicContact CB-CB 4.27Å; L95-A126 HydrophobicContact CD2-CB 3.77Å; L95-A126 HydrophobicContact CG-CB 4.4Å; S96-A126 WeakPolarHBondContact OG-CA 3.46Å; S96-A126 PolarHBondContact OG-O 2.89Å; A122-A126 WeakPolarHBondContact O-CB 3.48Å; A122-A126 PolarHBondContact O-N 2.75Å; S123-A126 WeakPolarHBondContact O-CB 3.43Å; S123-A126 PolarHBondContact O-N 3.32Å; A124-A126 VanDerWaalsContact C-N 3.3Å; A124-A126 PolarHBondContact O-N 2.75Å
127V98.4Very high95.6Very high0 Ų030.3 Ų30.30%014%0.139CC..Hα-helixtrans-62.7-45.3171.3176.20000110.4L6 L95 I99 I111 V113 S123 A124 C125 R129 A130 F131 V151L6-V127 HydrophobicContact CD1-CG1 4Å; L6-V127 HydrophobicContact CD2-CG1 4.29Å; L95-V127 HydrophobicContact CD2-CG2 3.9Å; I99-V127 HydrophobicContact CD1-CB 4.04Å; I99-V127 HydrophobicContact CD1-CG1 4.16Å; I99-V127 HydrophobicContact CD1-CG2 3.58Å; I111-V127 HydrophobicContact CD1-CG1 4.07Å; V113-V127 HydrophobicContact CG2-CG2 4.2Å; S123-V127 VanDerWaalsContact O-CG2 3.28Å; S123-V127 WeakPolarHBondContact O-CG2 3.23Å; S123-V127 PolarHBondContact O-N 3.09Å; A124-V127 WeakPolarHBondContact O-CB 3.35Å; A124-V127 PolarHBondContact O-N 2.67Å; C125-V127 VanDerWaalsContact C-N 3.33Å; C125-V127 PolarHBondContact O-N 3.35Å; V127-R129 VanDerWaalsContact C-N 3.3Å; V127-R129 PolarHBondContact O-N 3.11Å; V127-A130 WeakPolarHBondContact O-CB 3.31Å; V127-A130 PolarHBondContact O-N 3.1Å; V127-F131 HydrophobicContact CG1-CD2 4.39Å; V127-F131 HydrophobicContact CG1-CE2 4Å; V127-F131 VanDerWaalsContact O-CD2 3.31Å; V127-F131 WeakPolarHBondContact O-CD2 3.48Å; V127-V151 HydrophobicContact CG1-CG1 4.46Å; V127-V151 HydrophobicContact CG1-CG2 3.73Å; V127-V151 HydrophobicContact CG2-CG1 4.31Å
128A98.3Very high95.3Very high0 Ų032.3 Ų32.30%016%0.158CC..Hα-helixtrans-57.6-42179.600000112.3L6 A124 C125 A130 F131 A175 V178 R179L6-A128 HydrophobicContact CD2-CB 4.26Å; A124-A128 PolarHBondContact O-N 2.76Å; C125-A128 WeakPolarHBondContact O-CB 3.49Å; C125-A128 PolarHBondContact O-N 3.14Å; C125-A128 VanDerWaalsContact O-N 3.1Å; A128-A130 PolarHBondContact O-N 3.35Å; A128-A130 VanDerWaalsContact O-N 3.15Å; A128-F131 PolarHBondContact O-N 3.35Å; A128-A175 HydrophobicContact CB-CB 3.58Å; A128-V178 HydrophobicContact CB-CB 4.31Å; A128-V178 HydrophobicContact CB-CG1 4.15Å; A128-R179 HydrophobicContact CB-CG 4.13Å
129R97.4Very high94Very high32 Ų3233 Ų3312%0.12117%0.168CC..THydrogen-bonded Turntrans-62.4-19.2177.3-58.4-179.8-160-83.60.8113.9C125 V127 F131 V178 D406 T476 G477C125-R129 WeakPolarHBondContact O-CG 3.39Å; C125-R129 PolarHBondContact O-N 3.33Å; C125-R129 VanDerWaalsContact O-N 3.13Å; V127-R129 VanDerWaalsContact C-N 3.3Å; V127-R129 PolarHBondContact O-N 3.11Å; R129-F131 VanDerWaalsContact C-N 3.29Å; R129-V178 HydrophobicContact CG-CG1 3.65Å; R129-D406 IonicContact CZ-OD1 2.86Å; R129-D406 IonicContact CZ-OD2 3.25Å; R129-D406 IonicContact NH1-OD1 2.71Å; R129-D406 PolarHBondContact NH1-OD1 2.94Å; R129-D406 IonicContact NH2-OD1 3.64Å; R129-D406 PolarHBondContact NH2-OD1 3.09Å; R129-D406 IonicContact NH2-OD2 2.63Å; R129-D406 PolarHBondContact NH2-OD2 3.27Å; R129-T476 WeakPolarHBondContact CD-O 3.28Å; R129-T476 VanDerWaalsContact CG-O 3.23Å; R129-T476 WeakPolarHBondContact CG-O 3.24Å; R129-T476 PolarHBondContact NH1-O 3.22Å; R129-G477 PolarHBondContact NH1-O 3.32Å
130A96.7Very high92.2Very high0 Ų038.3 Ų38.30%021%0.205CC..THydrogen-bonded Turntrans-78.7-12.5176.100000113I99 R100 V127 A128 P132I99-A130 HydrophobicContact CB-CB 3.9Å; I99-A130 HydrophobicContact CG2-CB 3.51Å; R100-A130 HydrophobicContact CG-CB 4.06Å; V127-A130 WeakPolarHBondContact O-CB 3.31Å; V127-A130 PolarHBondContact O-N 3.1Å; A128-A130 PolarHBondContact O-N 3.35Å; A128-A130 VanDerWaalsContact O-N 3.15Å; A130-P132 WeakPolarHBondContact O-CD 3.43Å
131F95.9Very high90.3Very high2 Ų241.4 Ų41.41%0.00923%0.227CC..SBendtrans-124.471.4-173.8-60.4-66.4000112.9V4 L6 I99 L103 I111 V127 A128 R129 V149 R179V4-F131 HydrophobicContact CB-CB 4.32Å; V4-F131 HydrophobicContact CB-CD1 4.16Å; V4-F131 HydrophobicContact CB-CG 4.42Å; V4-F131 HydrophobicContact CG1-CB 4.33Å; V4-F131 HydrophobicContact CG1-CD1 3.94Å; V4-F131 HydrophobicContact CG1-CE1 4.44Å; V4-F131 HydrophobicContact CG1-CG 4.06Å; V4-F131 HydrophobicContact CG2-CD1 3.9Å; V4-F131 HydrophobicContact CG2-CE1 4.5Å; L6-F131 HydrophobicContact CD1-CD2 3.95Å; L6-F131 HydrophobicContact CD1-CE2 4.03Å; I99-F131 HydrophobicContact CG2-CE2 4.04Å; I99-F131 HydrophobicContact CG2-CZ 3.79Å; L103-F131 HydrophobicContact CD2-CE1 3.95Å; L103-F131 HydrophobicContact CD2-CZ 3.58Å; I111-F131 HydrophobicContact CD1-CE2 3.87Å; I111-F131 HydrophobicContact CD1-CZ 3.92Å; V127-F131 HydrophobicContact CG1-CD2 4.39Å; V127-F131 HydrophobicContact CG1-CE2 4Å; V127-F131 VanDerWaalsContact O-CD2 3.31Å; V127-F131 WeakPolarHBondContact O-CD2 3.48Å; A128-F131 PolarHBondContact O-N 3.35Å; R129-F131 VanDerWaalsContact C-N 3.29Å; F131-V149 HydrophobicContact CE1-CG2 4.03Å; F131-V149 HydrophobicContact CE2-CG1 4.05Å; F131-V149 HydrophobicContact CE2-CG2 4.45Å; F131-V149 HydrophobicContact CZ-CB 4.43Å; F131-V149 HydrophobicContact CZ-CG1 4.01Å; F131-V149 HydrophobicContact CZ-CG2 3.89Å; F131-R179 PolarHBondContact O-NE 3.37Å
132P93.6Very high88.2Confident21 Ų2146.6 Ų46.614%0.13625%0.247CC..  trans-70.3148.2-176.533.3-38.9000112A2 A130 R474A2-P132 WeakPolarHBondContact CA-O 3.35Å; A130-P132 WeakPolarHBondContact O-CD 3.43Å; P132-R474 VanDerWaalsContact CB-NH2 3.32Å
133L94.1Very high86.3Confident69 Ų6955 Ų5536%0.36128%0.278SS..  trans-84.1-49.3-175.6-70173.5000112.9T135 R179 C183L133-T135 PolarHBondContact O-N 2.81Å; L133-R179 HydrophobicContact CD1-CB 3.9Å; L133-R179 HydrophobicContact CG-CB 4.17Å; L133-C183 HydrophobicContact CB-CB 3.93Å; L133-C183 HydrophobicContact CD1-CB 4.12Å
134F94.7Very high84.4Confident28 Ų2861.4 Ų61.412%0.12332%0.318CS..  trans-68.4128.7-171-178.7-97.9000113.4R136 D186 T187 P188 R474F134-R136 HydrophobicContact CE1-CG 4.31Å; F134-R136 HydrophobicContact CE2-CG 4.02Å; F134-R136 HydrophobicContact CZ-CB 4.4Å; F134-R136 HydrophobicContact CZ-CG 3.52Å; F134-D186 HydrophobicContact CB-CB 3.82Å; F134-D186 HydrophobicContact CD1-CB 3.99Å; F134-D186 VanDerWaalsContact CD1-O 3.25Å; F134-D186 WeakPolarHBondContact CD1-O 3.44Å; F134-D186 WeakPolarHBondContact CE1-O 3.37Å; F134-D186 HydrophobicContact CG-CB 4.18Å; F134-T187 HydrophobicContact CD2-CG2 4.08Å; F134-T187 WeakPolarHBondContact CD2-OG1 3.34Å; F134-T187 HydrophobicContact CE2-CG2 3.76Å; F134-T187 HydrophobicContact CZ-CG2 4.47Å; F134-P188 HydrophobicContact CZ-CG 4.13Å; F134-R474 PolarHBondContact O-NH1 2.85Å; F134-R474 PolarHBondContact O-NH2 3.32Å
135T91.9Very high83.1Confident39 Ų3967.5 Ų67.524%0.23935%0.346CS..  trans-155.6139.8166.7-167.30000111.9A2 L133 R137A2-T135 HydrophobicContact CB-CG2 3.48Å; A2-T135 VanDerWaalsContact CB-CG2 3.48Å; L133-T135 PolarHBondContact O-N 2.81Å; T135-R137 PolarHBondContact OG1-N 3.16Å
136R91.1Very high82.2Confident143 Ų14373.8 Ų73.854%0.5437%0.374SS..  trans-117.711.5171.4-72.8-72.1-179.3-125.910.6113.7F134 R142 E191F134-R136 HydrophobicContact CE1-CG 4.31Å; F134-R136 HydrophobicContact CE2-CG 4.02Å; F134-R136 HydrophobicContact CZ-CB 4.4Å; F134-R136 HydrophobicContact CZ-CG 3.52Å; R136-R142 VanDerWaalsContact C-NH2 3.34Å; R136-R142 PolarHBondContact O-NH2 3.28Å; R136-R142 VanDerWaalsContact O-NH2 3.14Å; R136-E191 IonicContact CZ-OE1 3.44Å; R136-E191 IonicContact CZ-OE2 3.68Å; R136-E191 VanDerWaalsContact NE-CD 3.34Å; R136-E191 IonicContact NE-OE1 3.79Å; R136-E191 PolarHBondContact NE-OE1 3.29Å; R136-E191 IonicContact NE-OE2 2.84Å; R136-E191 PolarHBondContact NE-OE2 3.2Å; R136-E191 IonicContact NH2-OE1 2.68Å; R136-E191 IonicContact NH2-OE2 3.76Å; R136-E191 PolarHBondContact NH2-OE2 3.18Å
137R88.3Confident81.8Confident187 Ų18775.6 Ų75.671%0.70638%0.381SS*.  trans-55.2147.4174.9-61.7-172.9171.5-165.4-3.1111T135 S141 R142T135-R137 PolarHBondContact OG1-N 3.16Å; R137-S141 WeakPolarHBondContact CB-OG 3.33Å; R137-R142 WeakPolarHBondContact O-CG 3.39Å; R137-R142 VanDerWaalsContact O-CZ 3.29Å; R137-R142 PolarHBondContact O-NE 3.32Å; R137-R142 PolarHBondContact O-NH2 3.37Å; R137-R142 VanDerWaalsContact O-NH2 3.12Å
138S84.7Confident81.6Confident76 Ų7679.1 Ų79.153%0.53140%0.398SS..  trans-64.3160.4-172.757.50000113.7S140 S141 R142S138-S140 VanDerWaalsContact C-N 3.27Å; S138-S140 PolarHBondContact O-N 2.71Å; S138-S140 PolarHBondContact OG-OG 3.38Å; S138-S141 PolarHBondContact N-OG 2.83Å; S138-S141 CarbonylContact O-C 3.25Å; S138-S141 WeakPolarHBondContact O-CA 3.46Å; S138-S141 PolarHBondContact O-N 3.01Å; S138-S141 PolarHBondContact O-OG 3.38Å; S138-R142 PolarHBondContact O-N 2.9Å; S138-R142 VanDerWaalsContact O-N 3.07Å
139A65.6Low81.6Confident81 Ų8179.1 Ų79.167%0.66940%0.398SS*.G310 helixtrans-56.7-32.7-175.800000114.5S141 R142A139-S141 PolarHBondContact O-N 2.98Å; A139-R142 PolarHBondContact O-N 3.28Å; A139-R142 VanDerWaalsContact O-O 3.05Å
140S57.7Low81.6Confident121 Ų12177.9 Ų77.985%0.84639%0.393SS*.G310 helixtrans-60.3-17.7172.657.20000113.6S138S138-S140 VanDerWaalsContact C-N 3.27Å; S138-S140 PolarHBondContact O-N 2.71Å; S138-S140 PolarHBondContact OG-OG 3.38Å
141S57.1Low81.6Confident66 Ų6677.9 Ų77.946%0.46239%0.393SS..G310 helixtrans-111.2-7.9173.970.80000114.1R137 S138 A139R137-S141 WeakPolarHBondContact CB-OG 3.33Å; S138-S141 PolarHBondContact N-OG 2.83Å; S138-S141 CarbonylContact O-C 3.25Å; S138-S141 WeakPolarHBondContact O-CA 3.46Å; S138-S141 PolarHBondContact O-N 3.01Å; S138-S141 PolarHBondContact O-OG 3.38Å; A139-S141 PolarHBondContact O-N 2.98Å
142R54.8Low81.6Confident110 Ų11078.4 Ų78.442%0.41540%0.396SS..  trans-92.2105.8171.6-64.6-173.9-163165.616.2108.6R136 R137 S138 A139 T144R136-R142 VanDerWaalsContact C-NH2 3.34Å; R136-R142 PolarHBondContact O-NH2 3.28Å; R136-R142 VanDerWaalsContact O-NH2 3.14Å; R137-R142 WeakPolarHBondContact O-CG 3.39Å; R137-R142 VanDerWaalsContact O-CZ 3.29Å; R137-R142 PolarHBondContact O-NE 3.32Å; R137-R142 PolarHBondContact O-NH2 3.37Å; R137-R142 VanDerWaalsContact O-NH2 3.12Å; S138-R142 PolarHBondContact O-N 2.9Å; S138-R142 VanDerWaalsContact O-N 3.07Å; A139-R142 PolarHBondContact O-N 3.28Å; A139-R142 VanDerWaalsContact O-O 3.05Å; R142-T144 PolarHBondContact O-N 2.92Å
143R58.6Low81.7Confident176 Ų17678.1 Ų78.166%0.66439%0.393SS*.  trans-69122.4164.2-64.6-171.3-178.7-173.8-1.1107.8E145R143-E145 PolarHBondContact O-N 2.9Å
144T58.3Low81.7Confident137 Ų13775.9 Ų75.984%0.8438%0.382SS*.SBendtrans-64.8-29.4-18038.80000112.4R142 K146R142-T144 PolarHBondContact O-N 2.92Å; T144-K146 PolarHBondContact O-N 2.79Å
145E70.4Confident81.7Confident128 Ų12874.9 Ų74.960%0.59838%0.378SS*.SBendtrans-67.5129.6177.4-68.7176.7-176.900112.2R143 K147R143-E145 PolarHBondContact O-N 2.9Å; E145-K147 PolarHBondContact O-N 3.02Å
146K80.8Confident81.6Confident134 Ų13474.4 Ų74.458%0.58338%0.375SS*.PPolyproline II helixtrans-65130.8167.8-71.5-174.8179.6-179.60108.8V5 T144V5-K146 HydrophobicContact CG2-CB 4.39Å; V5-K146 HydrophobicContact CG2-CD 4.07Å; T144-K146 PolarHBondContact O-N 2.79Å
147K89.8Confident81.2Confident38 Ų3871.4 Ų71.417%0.16537%0.37CS..EExtended strand (participates in β ladder)trans-93134.9172.6-64.7-174.7177.2-170.30109.2N3 V4 V5 S107 E145N3-K147 PolarHBondContact O-N 2.97Å; N3-K147 VanDerWaalsContact O-N 3.08Å; V4-K147 CarbonylContact C-O 3.56Å; V4-K147 VanDerWaalsContact CA-O 3.26Å; V4-K147 WeakPolarHBondContact CA-O 3.36Å; V4-K147 HydrophobicContact CG2-CB 4.09Å; V5-K147 PolarHBondContact N-O 3.47Å; S107-K147 CarbonylContact O-C 3.59Å; S107-K147 VanDerWaalsContact O-CA 3.31Å; S107-K147 WeakPolarHBondContact O-CA 3.44Å; E145-K147 PolarHBondContact O-N 3.02Å
148H94.4Very high80.1Confident74 Ų7466.9 Ų66.934%0.34336%0.359SS..EExtended strand (participates in β ladder)trans-100.7135.3176.2-67.3-99.6000109.8E7 S107 R109E7-H148 IonicContact OE1-ND1 2.86Å; S107-H148 PolarHBondContact O-N 3.13Å; R109-H148 PolarHBondContact N-O 2.77Å
149V96.9Very high79Confident0 Ų071.6 Ų71.60%038%0.379CS..EExtended strand (participates in β ladder)trans-127112.6171.81780000107.5V4 V5 L6 E7 R109 I111 F131 V151V4-V149 HydrophobicContact CG1-CB 4.04Å; V4-V149 HydrophobicContact CG1-CG2 3.55Å; V5-V149 PolarHBondContact O-N 3.14Å; L6-V149 HydrophobicContact CD1-CB 3.9Å; L6-V149 HydrophobicContact CD1-CG1 3.75Å; E7-V149 PolarHBondContact N-O 2.88Å; R109-V149 HydrophobicContact CB-CG2 4.39Å; R109-V149 WeakPolarHBondContact O-CA 3.37Å; I111-V149 HydrophobicContact CD1-CG1 3.63Å; I111-V149 HydrophobicContact CG1-CG1 3.91Å; F131-V149 HydrophobicContact CE1-CG2 4.03Å; F131-V149 HydrophobicContact CE2-CG1 4.05Å; F131-V149 HydrophobicContact CE2-CG2 4.45Å; F131-V149 HydrophobicContact CZ-CB 4.43Å; F131-V149 HydrophobicContact CZ-CG1 4.01Å; F131-V149 HydrophobicContact CZ-CG2 3.89Å; V149-V151 HydrophobicContact CG1-CG2 4.3Å
150T97.4Very high79Confident5 Ų569.6 Ų69.63%0.03137%0.366CS..EExtended strand (participates in β ladder)trans-89.7132.1169.6-53.30000109.2E7 K9 R109 C110 I111E7-T150 CarbonylContact O-C 3.41Å; E7-T150 WeakPolarHBondContact O-CA 3.24Å; K9-T150 HydrophobicContact CB-CG2 3.97Å; K9-T150 HydrophobicContact CD-CG2 3.86Å; K9-T150 HydrophobicContact CG-CG2 3.98Å; R109-T150 PolarHBondContact O-N 2.88Å; C110-T150 CarbonylContact C-O 3.57Å; C110-T150 WeakPolarHBondContact CA-O 3.47Å; I111-T150 PolarHBondContact N-O 2.91Å
151V98.1Very high79.9Confident0 Ų065.6 Ų65.60%034%0.338CS..EExtended strand (participates in β ladder)trans-112.3127.7176.8-170.40000108.3L6 E7 F8 K9 I111 V113 V127 V149 F153L6-V151 HydrophobicContact CD1-CG2 3.48Å; L6-V151 VanDerWaalsContact CD1-CG2 3.48Å; L6-V151 HydrophobicContact CG-CG2 4.23Å; E7-V151 PolarHBondContact O-N 2.95Å; F8-V151 HydrophobicContact CD1-CB 3.67Å; F8-V151 HydrophobicContact CD1-CG1 3.9Å; F8-V151 HydrophobicContact CD1-CG2 4.26Å; F8-V151 HydrophobicContact CE1-CB 3.89Å; F8-V151 HydrophobicContact CE1-CG1 3.87Å; F8-V151 HydrophobicContact CE1-CG2 4.1Å; F8-V151 HydrophobicContact CG-CB 4.49Å; K9-V151 PolarHBondContact N-O 3.49Å; I111-V151 WeakPolarHBondContact O-CA 3.4Å; V113-V151 HydrophobicContact CG2-CG1 4.39Å; V127-V151 HydrophobicContact CG1-CG1 4.46Å; V127-V151 HydrophobicContact CG1-CG2 3.73Å; V127-V151 HydrophobicContact CG2-CG1 4.31Å; V149-V151 HydrophobicContact CG1-CG2 4.3Å; V151-F153 HydrophobicContact CG1-CE2 3.97Å; V151-F153 HydrophobicContact CG1-CZ 4.33Å
152E96Very high81.3Confident13 Ų1368.3 Ų68.36%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-123.6137.2179.9-178.3175.314500108.6S12 K42 I111 V112 V113S12-E152 PolarHBondContact N-OE2 2.96Å; S12-E152 PolarHBondContact OG-OE2 3.47Å; K42-E152 VanDerWaalsContact CE-CD 3.46Å; K42-E152 WeakPolarHBondContact CE-OE1 3.38Å; K42-E152 WeakPolarHBondContact CE-OE2 3.33Å; K42-E152 IonicContact NZ-OE1 2.75Å; K42-E152 PolarHBondContact NZ-OE1 2.87Å; K42-E152 IonicContact NZ-OE2 3.45Å; K42-E152 PolarHBondContact NZ-OE2 3.06Å; I111-E152 PolarHBondContact O-N 2.83Å; V112-E152 CarbonylContact C-O 3.59Å; V112-E152 WeakPolarHBondContact CA-O 3.39Å; V113-E152 PolarHBondContact N-O 2.95Å
153F95.8Very high83Confident15 Ų1563.6 Ų63.67%0.06633%0.33CS..EExtended strand (participates in β ladder)trans-109.1131.6176.4-74.1-86.9000110.3F8 V113 V120 A124 V151 L163 L171F8-F153 AromaticContact CD1-CE2 3.81Å; F8-F153 HydrophobicContact CD1-CE2 3.81Å; F8-F153 HydrophobicContact CE1-CE2 4.02Å; F8-F153 HydrophobicContact CE1-CZ 4.49Å; V113-F153 HydrophobicContact CB-CD1 3.73Å; V113-F153 HydrophobicContact CB-CE1 3.7Å; V113-F153 HydrophobicContact CG1-CD1 4.02Å; V113-F153 HydrophobicContact CG1-CE1 3.8Å; V113-F153 HydrophobicContact CG2-CE1 4.16Å; V113-F153 CarbonylContact O-C 3.05Å; V113-F153 WeakPolarHBondContact O-CA 3.39Å; V120-F153 HydrophobicContact CB-CD1 4.43Å; V120-F153 HydrophobicContact CG1-CD1 4.01Å; V120-F153 HydrophobicContact CG1-CD2 4.24Å; V120-F153 HydrophobicContact CG1-CE1 4.06Å; V120-F153 HydrophobicContact CG1-CE2 4.27Å; V120-F153 HydrophobicContact CG1-CG 4.1Å; V120-F153 HydrophobicContact CG1-CZ 4.19Å; V120-F153 HydrophobicContact CG2-CD1 4.17Å; A124-F153 HydrophobicContact CB-CE2 4.24Å; A124-F153 HydrophobicContact CB-CZ 3.82Å; V151-F153 HydrophobicContact CG1-CE2 3.97Å; V151-F153 HydrophobicContact CG1-CZ 4.33Å; F153-L163 HydrophobicContact CB-CD1 3.69Å; F153-L163 HydrophobicContact CD2-CD1 3.63Å; F153-L163 HydrophobicContact CG-CD1 3.91Å; F153-L171 HydrophobicContact CD2-CD1 4.01Å; F153-L171 HydrophobicContact CE2-CD1 3.58Å; F153-L171 HydrophobicContact CZ-CD1 4.32Å
154V94.4Very high84.7Confident23 Ų2358.8 Ų58.814%0.13932%0.317CS..EExtended strand (participates in β ladder)trans-111.2111.3168.9-173.50000108.3L34 V112 V113 V114 C115L34-V154 HydrophobicContact CD2-CB 4.09Å; L34-V154 HydrophobicContact CD2-CG1 3.43Å; L34-V154 VanDerWaalsContact CD2-CG1 3.43Å; V112-V154 HydrophobicContact CG1-CG2 3.76Å; V113-V154 PolarHBondContact O-N 2.88Å; V114-V154 WeakPolarHBondContact CA-O 3.17Å; V114-V154 HydrophobicContact CG2-CB 4.45Å; C115-V154 PolarHBondContact N-O 2.87Å
155V93.4Very high86.4Confident6 Ų658.5 Ų58.54%0.03631%0.311CS..EExtended strand (participates in β ladder)trans-92.6127.8-175.5179.90000110C115 R117 V120 D157 G160C115-V155 WeakPolarHBondContact O-CA 3.29Å; R117-V155 HydrophobicContact CB-CG1 3.88Å; V120-V155 HydrophobicContact CG2-CG2 4.13Å; V155-D157 WeakPolarHBondContact CG1-OD1 3.13Å; V155-G160 WeakPolarHBondContact O-CA 3.38Å
156V90.3Very high87.6Confident30 Ų3055 Ų5518%0.18230%0.304CS..SBendtrans-100.6-18.4-170.5-62.60000115.5N30 Q33 V114 C115 E116N30-V156 HydrophobicContact CB-CG1 4.29Å; N30-V156 HydrophobicContact CB-CG2 4.18Å; Q33-V156 HydrophobicContact CB-CG1 4.42Å; V114-V156 HydrophobicContact CG1-CG1 3.9Å; C115-V156 PolarHBondContact O-N 3.06Å; E116-V156 HydrophobicContact CG-CG2 4.19Å
157D82.5Confident88.3Confident80 Ų8049 Ų4943%0.42828%0.278SS..SBendtrans-100.6-3.9-167.957.7-33.2000115.5E116 R117 V155E116-D157 WeakPolarHBondContact CA-OD1 3.19Å; E116-D157 HydrophobicContact CG-CB 4.29Å; R117-D157 PolarHBondContact N-OD1 3.08Å; R117-D157 PolarHBondContact N-OD2 3.03Å; V155-D157 WeakPolarHBondContact CG1-OD1 3.13Å
158N65.9Low88.6Confident91 Ų9147.9 Ų47.949%0.48727%0.274SS..SBendtrans-135.156.2-175.8-164.641.5000112.4G160 S161N158-G160 PolarHBondContact O-N 3.28Å; N158-S161 WeakPolarHBondContact ND2-CB 3.38Å; N158-S161 PolarHBondContact ND2-OG 3.34Å; N158-S161 WeakPolarHBondContact O-CB 3.41Å; N158-S161 PolarHBondContact O-N 2.82Å; N158-S161 PolarHBondContact O-OG 3.38Å
159D62Low88.7Confident175 Ų17550.4 Ų50.494%0.93628%0.284SS*.THydrogen-bonded Turntrans52.521.5-177.9-66-23.6000115.3
160G64.1Low88.8Confident40 Ų4050.4 Ų50.441%0.41228%0.284SS..THydrogen-bonded Turntrans76.623.3-17500000114.5V155 N158 L162V155-G160 WeakPolarHBondContact O-CA 3.38Å; N158-G160 PolarHBondContact O-N 3.28Å; G160-L162 PolarHBondContact O-N 3.05Å
161S76.3Confident88.8Confident37 Ų3750.2 Ų50.226%0.25928%0.282SS..PPolyproline II helixtrans-52.8122.9179.968.10000111.7N158N158-S161 WeakPolarHBondContact ND2-CB 3.38Å; N158-S161 PolarHBondContact ND2-OG 3.34Å; N158-S161 WeakPolarHBondContact O-CB 3.41Å; N158-S161 PolarHBondContact O-N 2.82Å; N158-S161 PolarHBondContact O-OG 3.38Å
162L86.9Confident88.9Confident123 Ų12351.9 Ų51.964%0.64429%0.294SS*.PPolyproline II helixtrans-67.1150.6178.1-61.7174.3000110.8V10 G160V10-L162 HydrophobicContact CG1-CB 3.99Å; V10-L162 HydrophobicContact CG1-CD1 3.79Å; V10-L162 HydrophobicContact CG1-CD2 3.91Å; V10-L162 HydrophobicContact CG1-CG 4.1Å; G160-L162 PolarHBondContact O-N 3.05Å
163L91.8Very high89Confident10 Ų1052 Ų525%0.05230%0.295CS..PPolyproline II helixtrans-66135.8167.8-70.2167.4000109.3V10 V120 F153 E167 L168 L171 M495V10-L163 WeakPolarHBondContact CG2-O 3.28Å; V120-L163 HydrophobicContact CG1-CD1 4.12Å; V120-L163 HydrophobicContact CG1-CD2 4.01Å; F153-L163 HydrophobicContact CB-CD1 3.69Å; F153-L163 HydrophobicContact CD2-CD1 3.63Å; F153-L163 HydrophobicContact CG-CD1 3.91Å; L163-E167 WeakPolarHBondContact CA-OE2 3.27Å; L163-E167 HydrophobicContact CD2-CB 4.03Å; L163-L168 HydrophobicContact CB-CD2 3.96Å; L163-L168 HydrophobicContact CB-CG 4.07Å; L163-L168 HydrophobicContact CD1-CD2 3.81Å; L163-L171 HydrophobicContact CD1-CD1 4.02Å; L163-M495 HydrophobicContact CD2-CE 3.71Å
164N92.9Very high89.1Confident75 Ų7551.3 Ų51.340%0.40129%0.292SS..PPolyproline II helixtrans-83.5170.117369.750000111.1A166 E167 L168N164-A166 VanDerWaalsContact C-N 3.31Å; N164-A166 PolarHBondContact O-N 3.32Å; N164-A166 WeakPolarHBondContact OD1-CA 3.45Å; N164-A166 WeakPolarHBondContact OD1-CB 3.39Å; N164-A166 PolarHBondContact OD1-N 3.22Å; N164-E167 PolarHBondContact N-OE2 3.38Å; N164-E167 PolarHBondContact ND2-OE2 3.1Å; N164-E167 PolarHBondContact O-N 2.94Å; N164-E167 WeakPolarHBondContact OD1-CG 3.17Å; N164-E167 PolarHBondContact OD1-N 3.48Å; N164-L168 WeakPolarHBondContact O-CG 3.44Å; N164-L168 PolarHBondContact O-N 3.44Å
165D94.3Very high89.3Confident131 Ų13150.3 Ų50.370%0.70129%0.286SS*.Hα-helixtrans-64.1-33.3-176.4-69.2-26.3000113.3L168 K169D165-L168 PolarHBondContact O-N 3.02Å; D165-K169 WeakPolarHBondContact O-CB 3.47Å; D165-K169 PolarHBondContact O-N 2.92Å
166A94.9Very high89.6Confident56 Ų5653.2 Ų53.246%0.46330%0.302SS..Hα-helixtrans-66-42.7177.700000111N164 K169 C170N164-A166 VanDerWaalsContact C-N 3.31Å; N164-A166 PolarHBondContact O-N 3.32Å; N164-A166 WeakPolarHBondContact OD1-CA 3.45Å; N164-A166 WeakPolarHBondContact OD1-CB 3.39Å; N164-A166 PolarHBondContact OD1-N 3.22Å; A166-K169 WeakPolarHBondContact O-CB 3.29Å; A166-K169 PolarHBondContact O-N 2.94Å; A166-C170 PolarHBondContact O-N 2.71Å
167E95.5Very high90Very high6 Ų651.8 Ų51.83%0.02829%0.293CS..Hα-helixtrans-65.5-44.6176.1-67.5172.1134.700111.7R117 L163 N164 K169 C170 L171 M495R117-E167 IonicContact CZ-OE1 3.96Å; R117-E167 IonicContact CZ-OE2 2.7Å; R117-E167 IonicContact NE-OE1 2.62Å; R117-E167 IonicContact NH2-OE1 2.82Å; R117-E167 PolarHBondContact NH2-OE1 3.23Å; R117-E167 IonicContact NH2-OE2 3.01Å; R117-E167 PolarHBondContact NH2-OE2 2.89Å; L163-E167 WeakPolarHBondContact CA-OE2 3.27Å; L163-E167 HydrophobicContact CD2-CB 4.03Å; N164-E167 PolarHBondContact N-OE2 3.38Å; N164-E167 PolarHBondContact ND2-OE2 3.1Å; N164-E167 PolarHBondContact O-N 2.94Å; N164-E167 WeakPolarHBondContact OD1-CG 3.17Å; N164-E167 PolarHBondContact OD1-N 3.48Å; E167-K169 PolarHBondContact O-N 3.39Å; E167-C170 WeakPolarHBondContact O-CA 3.41Å; E167-C170 VanDerWaalsContact O-CB 3.23Å; E167-C170 WeakPolarHBondContact O-CB 3.44Å; E167-C170 PolarHBondContact O-N 3.36Å; E167-C170 VanDerWaalsContact O-N 3.07Å; E167-L171 WeakPolarHBondContact O-CG 3.24Å; E167-L171 PolarHBondContact O-N 2.9Å; E167-M495 HydrophobicContact CB-CE 3.79Å; E167-M495 HydrophobicContact CG-CB 4.32Å; E167-M495 HydrophobicContact CG-CE 3.98Å
168L97Very high90.8Very high16 Ų1648 Ų488%0.08427%0.273CS..Hα-helixtrans-61.2-36.3175.4-68.6176.1000112.1F8 V10 L163 N164 D165 L171 S172F8-L168 HydrophobicContact CB-CD2 3.96Å; V10-L168 HydrophobicContact CG2-CD1 3.55Å; L163-L168 HydrophobicContact CB-CD2 3.96Å; L163-L168 HydrophobicContact CB-CG 4.07Å; L163-L168 HydrophobicContact CD1-CD2 3.81Å; N164-L168 WeakPolarHBondContact O-CG 3.44Å; N164-L168 PolarHBondContact O-N 3.44Å; D165-L168 PolarHBondContact O-N 3.02Å; L168-L171 PolarHBondContact O-N 3.3Å; L168-S172 WeakPolarHBondContact O-CB 3.35Å; L168-S172 PolarHBondContact O-N 2.79Å; L168-S172 PolarHBondContact O-OG 3.17Å
169K97.3Very high92.3Very high127 Ų12744.4 Ų44.455%0.55225%0.253SS*.Hα-helixtrans-65.4-41.1173-171.2-178.2179.4-169.20111.2D165 A166 E167 S172 N173D165-K169 WeakPolarHBondContact O-CB 3.47Å; D165-K169 PolarHBondContact O-N 2.92Å; A166-K169 WeakPolarHBondContact O-CB 3.29Å; A166-K169 PolarHBondContact O-N 2.94Å; E167-K169 PolarHBondContact O-N 3.39Å; K169-S172 PolarHBondContact O-N 2.9Å; K169-N173 WeakPolarHBondContact O-CB 3.28Å; K169-N173 PolarHBondContact O-N 3.31Å; K169-N173 PolarHBondContact O-ND2 2.79Å
170C98Very high94.1Very high0 Ų037.1 Ų37.10%021%0.214CC..Hα-helixtrans-57-50.9172.7-170.50000112A166 E167 S172 N173 A174 D493A166-C170 PolarHBondContact O-N 2.71Å; E167-C170 WeakPolarHBondContact O-CA 3.41Å; E167-C170 VanDerWaalsContact O-CB 3.23Å; E167-C170 WeakPolarHBondContact O-CB 3.44Å; E167-C170 PolarHBondContact O-N 3.36Å; E167-C170 VanDerWaalsContact O-N 3.07Å; C170-S172 VanDerWaalsContact C-N 3.29Å; C170-S172 PolarHBondContact O-N 3.49Å; C170-N173 PolarHBondContact O-N 2.96Å; C170-A174 WeakPolarHBondContact O-CB 3.42Å; C170-A174 PolarHBondContact O-N 2.92Å; C170-D493 VanDerWaalsContact CB-OD2 3.29Å; C170-D493 WeakPolarHBondContact CB-OD2 3.39Å
171L98.4Very high95.7Very high0 Ų035.3 Ų35.30%020%0.195CC..Hα-helixtrans-60.9-40.4179.6-60.5-173.2000111.8F8 V120 F121 A124 F153 L163 E167 L168 A175 M495F8-L171 HydrophobicContact CB-CB 4.49Å; F8-L171 HydrophobicContact CD1-CB 4.12Å; F8-L171 HydrophobicContact CD1-CD1 4.21Å; F8-L171 HydrophobicContact CD2-CB 4.07Å; F8-L171 HydrophobicContact CE1-CB 4.35Å; F8-L171 HydrophobicContact CE2-CB 4.32Å; F8-L171 WeakPolarHBondContact CE2-O 3.38Å; F8-L171 HydrophobicContact CG-CB 3.96Å; F8-L171 HydrophobicContact CZ-CB 4.44Å; V120-L171 HydrophobicContact CG1-CD1 3.76Å; V120-L171 HydrophobicContact CG1-CD2 4.25Å; F121-L171 HydrophobicContact CD2-CD2 4.28Å; A124-L171 HydrophobicContact CB-CB 4.07Å; A124-L171 HydrophobicContact CB-CD1 4.07Å; A124-L171 HydrophobicContact CB-CD2 3.61Å; A124-L171 HydrophobicContact CB-CG 4.1Å; F153-L171 HydrophobicContact CD2-CD1 4.01Å; F153-L171 HydrophobicContact CE2-CD1 3.58Å; F153-L171 HydrophobicContact CZ-CD1 4.32Å; L163-L171 HydrophobicContact CD1-CD1 4.02Å; E167-L171 WeakPolarHBondContact O-CG 3.24Å; E167-L171 PolarHBondContact O-N 2.9Å; L168-L171 PolarHBondContact O-N 3.3Å; L171-A175 VanDerWaalsContact O-CB 3.24Å; L171-A175 WeakPolarHBondContact O-CB 3.23Å; L171-A175 PolarHBondContact O-N 3.26Å; L171-M495 HydrophobicContact CD2-CE 4.19Å; L171-M495 HydrophobicContact CD2-SD 3.45Å; L171-M495 WeakPolarHBondContact CD2-SD 3.3Å; L171-M495 HydrophobicContact CG-SD 4.25Å
172S98.4Very high96.8Very high36 Ų3633.9 Ų33.925%0.25219%0.185SC..Hα-helixtrans-64.3-48176.8-57.50000111.6L168 K169 C170 A174 A175 D176L168-S172 WeakPolarHBondContact O-CB 3.35Å; L168-S172 PolarHBondContact O-N 2.79Å; L168-S172 PolarHBondContact O-OG 3.17Å; K169-S172 PolarHBondContact O-N 2.9Å; C170-S172 VanDerWaalsContact C-N 3.29Å; C170-S172 PolarHBondContact O-N 3.49Å; S172-A174 PolarHBondContact O-N 2.79Å; S172-A175 PolarHBondContact O-N 2.91Å; S172-D176 WeakPolarHBondContact O-CB 3.35Å; S172-D176 PolarHBondContact O-N 3.08Å
173N98.5Very high97.3Very high14 Ų1429.4 Ų29.48%0.07516%0.164CC..Hα-helixtrans-62.8-42.4178-74.1-27.1000112K169 C170 D176 G177 A296 K299 Q300K169-N173 WeakPolarHBondContact O-CB 3.28Å; K169-N173 PolarHBondContact O-N 3.31Å; K169-N173 PolarHBondContact O-ND2 2.79Å; C170-N173 PolarHBondContact O-N 2.96Å; N173-D176 PolarHBondContact O-N 2.82Å; N173-G177 PolarHBondContact O-N 3.25Å; N173-A296 HydrophobicContact CB-CB 4.44Å; N173-A296 WeakPolarHBondContact O-CB 3.23Å; N173-K299 WeakPolarHBondContact ND2-CB 3.29Å; N173-K299 WeakPolarHBondContact OD1-CD 3.41Å; N173-Q300 PolarHBondContact ND2-OE1 2.96Å
174A98.7Very high97.7Very high1 Ų129 Ų291%0.00816%0.161CC..Hα-helixtrans-63.6-44.3175.600000111.8F121 C170 S172 D176 G177 V178 M484F121-A174 HydrophobicContact CE2-CB 3.91Å; F121-A174 HydrophobicContact CZ-CB 4.48Å; C170-A174 WeakPolarHBondContact O-CB 3.42Å; C170-A174 PolarHBondContact O-N 2.92Å; S172-A174 PolarHBondContact O-N 2.79Å; A174-D176 VanDerWaalsContact C-N 3.35Å; A174-D176 PolarHBondContact O-N 3.45Å; A174-G177 PolarHBondContact O-N 3.28Å; A174-V178 VanDerWaalsContact O-CG2 3.31Å; A174-V178 WeakPolarHBondContact O-CG2 3.13Å; A174-V178 PolarHBondContact O-N 2.95Å; A174-M484 HydrophobicContact CB-CE 3.93Å; A174-M484 HydrophobicContact CB-SD 3.66Å
175A98.7Very high98Very high2 Ų225.5 Ų25.52%0.01714%0.143CC..Hα-helixtrans-63.6-40.1177.700000112.5L6 F8 A128 L171 S172 V178 R179L6-A175 HydrophobicContact CD2-CB 4.19Å; F8-A175 HydrophobicContact CE2-CB 3.53Å; F8-A175 HydrophobicContact CZ-CB 3.88Å; A128-A175 HydrophobicContact CB-CB 3.58Å; L171-A175 VanDerWaalsContact O-CB 3.24Å; L171-A175 WeakPolarHBondContact O-CB 3.23Å; L171-A175 PolarHBondContact O-N 3.26Å; S172-A175 PolarHBondContact O-N 2.91Å; A175-V178 PolarHBondContact O-N 3.49Å; A175-R179 WeakPolarHBondContact O-CB 3.46Å; A175-R179 WeakPolarHBondContact O-CD 3.48Å; A175-R179 WeakPolarHBondContact O-CG 3.1Å; A175-R179 PolarHBondContact O-N 3.05Å
176D98.5Very high98.2Very high68 Ų6819.4 Ų19.436%0.36411%0.11SC..Hα-helixtrans-65.7-42.6175.5-76.5-15.1000111.5S172 N173 A174 R179 L180S172-D176 WeakPolarHBondContact O-CB 3.35Å; S172-D176 PolarHBondContact O-N 3.08Å; N173-D176 PolarHBondContact O-N 2.82Å; A174-D176 VanDerWaalsContact C-N 3.35Å; A174-D176 PolarHBondContact O-N 3.45Å; D176-R179 PolarHBondContact O-N 2.94Å; D176-L180 VanDerWaalsContact O-CB 3.26Å; D176-L180 WeakPolarHBondContact O-CB 3.47Å; D176-L180 PolarHBondContact O-N 3.48Å
177G98.8Very high98.3Very high0 Ų017.2 Ų17.20%09%0.091CC..Hα-helixtrans-59-48.3173.400000112.4N173 A174 R179 L180 A181N173-G177 PolarHBondContact O-N 3.25Å; A174-G177 PolarHBondContact O-N 3.28Å; G177-R179 VanDerWaalsContact C-N 3.33Å; G177-R179 PolarHBondContact O-N 2.88Å; G177-L180 PolarHBondContact O-N 3.11Å; G177-A181 PolarHBondContact O-N 3.35Å
178V98.9Very high98.5Very high1 Ų118.7 Ų18.71%0.00610%0.101CC..Hα-helixtrans-59.3-44.2177.6167.60000111C125 A128 R129 A174 A175 A182 G477 V480C125-V178 HydrophobicContact CB-CG2 4.42Å; A128-V178 HydrophobicContact CB-CB 4.31Å; A128-V178 HydrophobicContact CB-CG1 4.15Å; R129-V178 HydrophobicContact CG-CG1 3.65Å; A174-V178 VanDerWaalsContact O-CG2 3.31Å; A174-V178 WeakPolarHBondContact O-CG2 3.13Å; A174-V178 PolarHBondContact O-N 2.95Å; A175-V178 PolarHBondContact O-N 3.49Å; V178-A182 WeakPolarHBondContact O-CB 3.33Å; V178-A182 PolarHBondContact O-N 3.17Å; V178-G477 WeakPolarHBondContact O-CA 3.44Å; V178-V480 HydrophobicContact CG2-CB 3.89Å; V178-V480 HydrophobicContact CG2-CG1 3.95Å
179R98.7Very high98.5Very high14 Ų1418.8 Ų18.85%0.05310%0.103CC..Hα-helixtrans-73.4-33.5-178.5-70.1171.174.2-148.25.8112.4V4 A128 F131 L133 A175 D176 G177 C183V4-R179 PolarHBondContact O-NH2 3.3Å; A128-R179 HydrophobicContact CB-CG 4.13Å; F131-R179 PolarHBondContact O-NE 3.37Å; L133-R179 HydrophobicContact CD1-CB 3.9Å; L133-R179 HydrophobicContact CG-CB 4.17Å; A175-R179 WeakPolarHBondContact O-CB 3.46Å; A175-R179 WeakPolarHBondContact O-CD 3.48Å; A175-R179 WeakPolarHBondContact O-CG 3.1Å; A175-R179 PolarHBondContact O-N 3.05Å; D176-R179 PolarHBondContact O-N 2.94Å; G177-R179 VanDerWaalsContact C-N 3.33Å; G177-R179 PolarHBondContact O-N 2.88Å; R179-C183 VanDerWaalsContact O-CB 3.26Å; R179-C183 WeakPolarHBondContact O-CB 3.49Å; R179-C183 PolarHBondContact O-N 3.5Å
180L98.8Very high98.5Very high23 Ų2317.4 Ų17.412%0.1211%0.109CC..Hα-helixtrans-62.3-53.3172174.860.7000110.5D176 G177 A182 C183 I184 V204 L291 K295D176-L180 VanDerWaalsContact O-CB 3.26Å; D176-L180 WeakPolarHBondContact O-CB 3.47Å; D176-L180 PolarHBondContact O-N 3.48Å; G177-L180 PolarHBondContact O-N 3.11Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 3.21Å; L180-C183 WeakPolarHBondContact O-CA 3.23Å; L180-C183 VanDerWaalsContact O-CB 3.32Å; L180-C183 WeakPolarHBondContact O-CB 3.26Å; L180-C183 PolarHBondContact O-N 3.08Å; L180-I184 HydrophobicContact CD1-CD1 4.02Å; L180-I184 HydrophobicContact CD1-CG1 4.36Å; L180-I184 HydrophobicContact CG-CD1 4.16Å; L180-I184 PolarHBondContact O-N 2.72Å; L180-V204 HydrophobicContact CD2-CG2 3.9Å; L180-L291 HydrophobicContact CD2-CG 4.49Å; L180-K295 HydrophobicContact CD2-CD 4.12Å
181A98.9Very high98.5Very high2 Ų220.2 Ų20.22%0.01712%0.123CC..Hα-helixtrans-56.4-46.8177.800000111.3G177 C183 I184 V185 A288 V480G177-A181 PolarHBondContact O-N 3.35Å; A181-C183 VanDerWaalsContact C-N 3.3Å; A181-C183 PolarHBondContact O-N 3.03Å; A181-I184 PolarHBondContact O-N 3.02Å; A181-V185 VanDerWaalsContact O-CG2 3.27Å; A181-V185 WeakPolarHBondContact O-CG2 3.34Å; A181-V185 PolarHBondContact O-N 3.42Å; A181-V185 VanDerWaalsContact O-N 3.14Å; A181-A288 HydrophobicContact CB-CB 4.41Å; A181-A288 WeakPolarHBondContact CB-O 3.33Å; A181-V480 HydrophobicContact CB-CG2 3.75Å
182A98.7Very high98.6Very high6 Ų620.7 Ų20.75%0.0513%0.125CC..Hα-helixtrans-63.2-34.7175.900000113V178 L180 D186 A475V178-A182 WeakPolarHBondContact O-CB 3.33Å; V178-A182 PolarHBondContact O-N 3.17Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 3.21Å; A182-D186 VanDerWaalsContact O-CB 3.27Å; A182-D186 WeakPolarHBondContact O-CB 3.07Å; A182-D186 PolarHBondContact O-N 3.29Å; A182-A475 HydrophobicContact CB-CB 3.99Å; A182-A475 VanDerWaalsContact O-CB 3.31Å; A182-A475 WeakPolarHBondContact O-CB 3.45Å
183C98.6Very high98.6Very high29 Ų2919.3 Ų19.320%0.19612%0.115CC..Hα-helixtrans-64.9-49.1178.3-167.30000111.3L133 R179 L180 A181 V185 D186 T187L133-C183 HydrophobicContact CB-CB 3.93Å; L133-C183 HydrophobicContact CD1-CB 4.12Å; R179-C183 VanDerWaalsContact O-CB 3.26Å; R179-C183 WeakPolarHBondContact O-CB 3.49Å; R179-C183 PolarHBondContact O-N 3.5Å; L180-C183 WeakPolarHBondContact O-CA 3.23Å; L180-C183 VanDerWaalsContact O-CB 3.32Å; L180-C183 WeakPolarHBondContact O-CB 3.26Å; L180-C183 PolarHBondContact O-N 3.08Å; A181-C183 VanDerWaalsContact C-N 3.3Å; A181-C183 PolarHBondContact O-N 3.03Å; C183-V185 PolarHBondContact O-N 2.77Å; C183-D186 PolarHBondContact O-N 3.16Å; C183-T187 PolarHBondContact O-N 3.05Å; C183-T187 PolarHBondContact O-OG1 2.93Å
184I98.8Very high98.6Very high1 Ų118.7 Ų18.71%0.00511%0.111CC..Hα-helixtrans-57.3-52.1178.1-67.5167.8000109.7L180 A181 D186 T187 M192 F197 E200 A288 L291L180-I184 HydrophobicContact CD1-CD1 4.02Å; L180-I184 HydrophobicContact CD1-CG1 4.36Å; L180-I184 HydrophobicContact CG-CD1 4.16Å; L180-I184 PolarHBondContact O-N 2.72Å; A181-I184 PolarHBondContact O-N 3.02Å; I184-D186 VanDerWaalsContact C-N 3.32Å; I184-D186 PolarHBondContact O-N 3.16Å; I184-T187 WeakPolarHBondContact O-CB 3.22Å; I184-T187 PolarHBondContact O-N 3.16Å; I184-T187 VanDerWaalsContact O-N 3.08Å; I184-M192 HydrophobicContact CG1-CE 4.23Å; I184-M192 HydrophobicContact CG2-CG 4.07Å; I184-M192 HydrophobicContact CG2-SD 4.08Å; I184-F197 HydrophobicContact CG2-CD2 3.93Å; I184-F197 HydrophobicContact CG2-CE2 3.47Å; I184-F197 VanDerWaalsContact CG2-CE2 3.47Å; I184-F197 HydrophobicContact CG2-CZ 4.1Å; I184-E200 HydrophobicContact CD1-CB 4.41Å; I184-E200 HydrophobicContact CD1-CG 4.44Å; I184-E200 HydrophobicContact CG1-CG 4.42Å; I184-A288 HydrophobicContact CB-CB 4Å; I184-A288 HydrophobicContact CD1-CB 4.39Å; I184-A288 HydrophobicContact CG2-CB 3.81Å; I184-L291 HydrophobicContact CD1-CD2 3.86Å
185V98.8Very high98.6Very high3 Ų320.6 Ų20.62%0.01812%0.122CC..Hα-helixtrans-63.2-33.5-179173.60000113.3A181 C183 R282 A288 V469 A475A181-V185 VanDerWaalsContact O-CG2 3.27Å; A181-V185 WeakPolarHBondContact O-CG2 3.34Å; A181-V185 PolarHBondContact O-N 3.42Å; A181-V185 VanDerWaalsContact O-N 3.14Å; C183-V185 PolarHBondContact O-N 2.77Å; V185-R282 HydrophobicContact CG1-CB 3.79Å; V185-R282 HydrophobicContact CG1-CG 3.74Å; V185-A288 HydrophobicContact CG2-CB 3.8Å; V185-V469 HydrophobicContact CG1-CG2 4.03Å; V185-V469 HydrophobicContact CG2-CG2 4.27Å; V185-A475 HydrophobicContact CB-CB 3.62Å; V185-A475 HydrophobicContact CG1-CB 3.41Å; V185-A475 VanDerWaalsContact CG1-CB 3.41Å
186D98.6Very high98.6Very high2 Ų224.3 Ų24.31%0.01114%0.138CC..Hα-helixtrans-79.3-19.3176.8-85.6-30.4000113.2F134 A182 C183 I184 K281 R474 A475F134-D186 HydrophobicContact CB-CB 3.82Å; F134-D186 HydrophobicContact CD1-CB 3.99Å; F134-D186 VanDerWaalsContact CD1-O 3.25Å; F134-D186 WeakPolarHBondContact CD1-O 3.44Å; F134-D186 WeakPolarHBondContact CE1-O 3.37Å; F134-D186 HydrophobicContact CG-CB 4.18Å; A182-D186 VanDerWaalsContact O-CB 3.27Å; A182-D186 WeakPolarHBondContact O-CB 3.07Å; A182-D186 PolarHBondContact O-N 3.29Å; C183-D186 PolarHBondContact O-N 3.16Å; I184-D186 VanDerWaalsContact C-N 3.32Å; I184-D186 PolarHBondContact O-N 3.16Å; D186-K281 WeakPolarHBondContact O-CE 3.34Å; D186-K281 PolarHBondContact O-NZ 3.35Å; D186-R474 WeakPolarHBondContact OD1-CA 3.23Å; D186-R474 IonicContact OD1-NE 3.78Å; D186-R474 IonicContact OD2-CZ 2.63Å; D186-R474 IonicContact OD2-NE 3.19Å; D186-R474 PolarHBondContact OD2-NE 3.11Å; D186-R474 IonicContact OD2-NH2 3.88Å; D186-R474 PolarHBondContact OD2-NH2 3.15Å; D186-A475 HydrophobicContact CB-CB 4.42Å; D186-A475 WeakPolarHBondContact OD1-CB 3.32Å; D186-A475 PolarHBondContact OD1-N 2.76Å
187T98.6Very high98.6Very high10 Ų1021 Ų216%0.06112%0.121CC..SBendtrans-74.7131.5-177.9-57.40000109.7F134 C183 I184 E191 M192F134-T187 HydrophobicContact CD2-CG2 4.08Å; F134-T187 WeakPolarHBondContact CD2-OG1 3.34Å; F134-T187 HydrophobicContact CE2-CG2 3.76Å; F134-T187 HydrophobicContact CZ-CG2 4.47Å; C183-T187 PolarHBondContact O-N 3.05Å; C183-T187 PolarHBondContact O-OG1 2.93Å; I184-T187 WeakPolarHBondContact O-CB 3.22Å; I184-T187 PolarHBondContact O-N 3.16Å; I184-T187 VanDerWaalsContact O-N 3.08Å; T187-E191 HydrophobicContact CG2-CB 3.73Å; T187-M192 HydrophobicContact CG2-CB 3.62Å; T187-M192 HydrophobicContact CG2-CE 4.21Å
188P98.4Very high98.6Very high37 Ų3721.3 Ų21.324%0.2412%0.123CC..  trans-67.1149.8177.630-35.8000110.7F134 S190 E191 M192F134-P188 HydrophobicContact CZ-CG 4.13Å; P188-S190 PolarHBondContact O-N 3.39Å; P188-S190 VanDerWaalsContact O-N 3.1Å; P188-E191 HydrophobicContact CG-CB 4.39Å; P188-E191 HydrophobicContact CG-CG 4.27Å; P188-E191 CarbonylContact O-C 2.93Å; P188-E191 WeakPolarHBondContact O-CA 3.44Å; P188-E191 PolarHBondContact O-N 2.84Å; P188-M192 PolarHBondContact O-N 2.89Å
189C97.6Very high98.6Very high19 Ų1925.2 Ų25.213%0.12814%0.143CC..G310 helixtrans-55.4-31.8-178.5-175.60000113.5E191 M192 N193 Y264C189-E191 PolarHBondContact O-N 3.15Å; C189-M192 CarbonylContact O-C 3.5Å; C189-M192 VanDerWaalsContact O-C 3.25Å; C189-M192 PolarHBondContact O-N 3.2Å; C189-N193 PolarHBondContact O-N 3.33Å; C189-Y264 HydrophobicContact CB-CD2 3.88Å; C189-Y264 HydrophobicContact CB-CG 4.11Å
190S97.8Very high98.6Very high97 Ų9727.6 Ų27.668%0.67816%0.155SC*.G310 helixtrans-57.6-18.7173.461.90000114.5P188P188-S190 PolarHBondContact O-N 3.39Å; P188-S190 VanDerWaalsContact O-N 3.1Å
191E98.3Very high98.6Very high60 Ų6026.6 Ų26.628%0.2815%0.15SC..G310 helixtrans-124.44.7176.9-56.9179.9-150.900112.1R136 T187 P188 C189R136-E191 IonicContact CZ-OE1 3.44Å; R136-E191 IonicContact CZ-OE2 3.68Å; R136-E191 VanDerWaalsContact NE-CD 3.34Å; R136-E191 IonicContact NE-OE1 3.79Å; R136-E191 PolarHBondContact NE-OE1 3.29Å; R136-E191 IonicContact NE-OE2 2.84Å; R136-E191 PolarHBondContact NE-OE2 3.2Å; R136-E191 IonicContact NH2-OE1 2.68Å; R136-E191 IonicContact NH2-OE2 3.76Å; R136-E191 PolarHBondContact NH2-OE2 3.18Å; T187-E191 HydrophobicContact CG2-CB 3.73Å; P188-E191 HydrophobicContact CG-CB 4.39Å; P188-E191 HydrophobicContact CG-CG 4.27Å; P188-E191 CarbonylContact O-C 2.93Å; P188-E191 WeakPolarHBondContact O-CA 3.44Å; P188-E191 PolarHBondContact O-N 2.84Å; C189-E191 PolarHBondContact O-N 3.15Å
192M98.7Very high98.6Very high10 Ų1030.7 Ų30.75%0.04917%0.167CC..SBendtrans-151.555.2-178.2-168.156.465.900109.7I184 T187 P188 C189 H196 F197 E200 V263I184-M192 HydrophobicContact CG1-CE 4.23Å; I184-M192 HydrophobicContact CG2-CG 4.07Å; I184-M192 HydrophobicContact CG2-SD 4.08Å; T187-M192 HydrophobicContact CG2-CB 3.62Å; T187-M192 HydrophobicContact CG2-CE 4.21Å; P188-M192 PolarHBondContact O-N 2.89Å; C189-M192 CarbonylContact O-C 3.5Å; C189-M192 VanDerWaalsContact O-C 3.25Å; C189-M192 PolarHBondContact O-N 3.2Å; M192-H196 HydrophobicContact SD-CB 4.28Å; M192-F197 HydrophobicContact SD-CB 4.29Å; M192-F197 HydrophobicContact SD-CD2 4.36Å; M192-E200 HydrophobicContact CE-CG 4.02Å; M192-E200 HydrophobicContact SD-CG 4.35Å; M192-V263 WeakPolarHBondContact O-CB 3.39Å
193N98.8Very high98.7Very high7 Ų732.9 Ų32.94%0.03719%0.185CC..SBendtrans-82.5-173.8170.26234.7000110.1C189 D195 H196 F197 H237C189-N193 PolarHBondContact O-N 3.33Å; N193-D195 VanDerWaalsContact C-N 3.25Å; N193-D195 PolarHBondContact O-N 3.08Å; N193-D195 WeakPolarHBondContact OD1-CB 3.41Å; N193-D195 PolarHBondContact OD1-N 3.06Å; N193-H196 PolarHBondContact ND2-CE1 2.89Å; N193-H196 PolarHBondContact ND2-ND1 3.2Å; N193-H196 VanDerWaalsContact ND2-ND1 3.11Å; N193-H196 PolarHBondContact O-N 2.63Å; N193-H196 PolarHBondContact OD1-N 3.19Å; N193-H196 VanDerWaalsContact OD1-N 3.13Å; N193-H196 PolarHBondContact OD1-ND1 2.88Å; N193-F197 PolarHBondContact O-N 2.97Å; N193-H237 HydrophobicContact CB-CB 4.36Å; N193-H237 PolarHBondContact ND2-CD2 3.08Å; N193-H237 PolarHBondContact ND2-CE1 3.45Å; N193-H237 VanDerWaalsContact ND2-CE1 3.27Å; N193-H237 PolarHBondContact ND2-NE2 2.82Å
194T98.9Very high98.7Very high0 Ų031.7 Ų31.70%018%0.177CC..Hα-helixtrans-60.1-34-177.155.70000112.9L198 H237 P238 V263 L312T194-L198 VanDerWaalsContact O-CG 3.3Å; T194-L198 WeakPolarHBondContact O-CG 3.49Å; T194-L198 PolarHBondContact O-N 3.24Å; T194-H237 WeakPolarHBondContact OG1-CB 3.42Å; T194-H237 PolarHBondContact OG1-O 3.37Å; T194-P238 WeakPolarHBondContact CB-O 3.34Å; T194-P238 PolarHBondContact OG1-O 3.46Å; T194-V263 HydrophobicContact CG2-CG1 4.25Å; T194-V263 HydrophobicContact CG2-CG2 3.92Å; T194-L312 HydrophobicContact CG2-CB 4.25Å
195D98.8Very high98.7Very high42 Ų4231.6 Ų31.623%0.22518%0.177CC..Hα-helixtrans-70.6-45.5179.3-64.5-15.5000111.9N193 F197 L198 D199 R216 H237N193-D195 VanDerWaalsContact C-N 3.25Å; N193-D195 PolarHBondContact O-N 3.08Å; N193-D195 WeakPolarHBondContact OD1-CB 3.41Å; N193-D195 PolarHBondContact OD1-N 3.06Å; D195-F197 VanDerWaalsContact C-N 3.31Å; D195-F197 PolarHBondContact O-N 2.86Å; D195-L198 WeakPolarHBondContact O-CB 3.48Å; D195-L198 PolarHBondContact O-N 2.82Å; D195-D199 PolarHBondContact O-N 3.32Å; D195-R216 IonicContact OD1-CZ 3.38Å; D195-R216 VanDerWaalsContact OD1-CZ 3.25Å; D195-R216 IonicContact OD1-NE 3.15Å; D195-R216 PolarHBondContact OD1-NE 3.1Å; D195-R216 IonicContact OD1-NH2 3.02Å; D195-R216 PolarHBondContact OD1-NH2 3.39Å; D195-R216 IonicContact OD2-NH2 2.68Å; D195-R216 PolarHBondContact OD2-NH2 3.02Å; D195-H237 IonicContact OD2-CE1 2.82Å; D195-H237 IonicContact OD2-CG 3.07Å; D195-H237 IonicContact OD2-ND1 3.78Å; D195-H237 PolarHBondContact OD2-ND1 3.25Å
196H98.9Very high98.7Very high79 Ų7936.1 Ų36.137%0.36621%0.208SC..Hα-helixtrans-64.3-37.7176-64.9100.5000111.6M192 N193 D199 E200M192-H196 HydrophobicContact SD-CB 4.28Å; N193-H196 PolarHBondContact ND2-CE1 2.89Å; N193-H196 PolarHBondContact ND2-ND1 3.2Å; N193-H196 VanDerWaalsContact ND2-ND1 3.11Å; N193-H196 PolarHBondContact O-N 2.63Å; N193-H196 PolarHBondContact OD1-N 3.19Å; N193-H196 VanDerWaalsContact OD1-N 3.13Å; N193-H196 PolarHBondContact OD1-ND1 2.88Å; H196-D199 WeakPolarHBondContact O-CB 3.31Å; H196-D199 PolarHBondContact O-N 3.15Å; H196-E200 PolarHBondContact O-N 3.08Å
197F98.9Very high98.6Very high0 Ų040.7 Ų40.70%023%0.23CC..Hα-helixtrans-64.5-42.2174.7-155.2-56.2000110.8I184 M192 N193 D195 D199 E200 I201 V263 C284 A287 A288 L291 F310 L312I184-F197 HydrophobicContact CG2-CD2 3.93Å; I184-F197 HydrophobicContact CG2-CE2 3.47Å; I184-F197 VanDerWaalsContact CG2-CE2 3.47Å; I184-F197 HydrophobicContact CG2-CZ 4.1Å; M192-F197 HydrophobicContact SD-CB 4.29Å; M192-F197 HydrophobicContact SD-CD2 4.36Å; N193-F197 PolarHBondContact O-N 2.97Å; D195-F197 VanDerWaalsContact C-N 3.31Å; D195-F197 PolarHBondContact O-N 2.86Å; F197-D199 PolarHBondContact O-N 3.24Å; F197-E200 WeakPolarHBondContact O-CB 3.12Å; F197-E200 PolarHBondContact O-N 3.49Å; F197-E200 VanDerWaalsContact O-N 3.15Å; F197-I201 HydrophobicContact CD1-CD1 3.7Å; F197-I201 HydrophobicContact CD1-CG1 3.92Å; F197-I201 HydrophobicContact CE1-CD1 3.98Å; F197-I201 HydrophobicContact CE1-CG1 4.02Å; F197-I201 WeakPolarHBondContact O-CG1 3.43Å; F197-I201 PolarHBondContact O-N 2.97Å; F197-V263 HydrophobicContact CB-CG1 4.43Å; F197-V263 HydrophobicContact CD2-CG1 4.21Å; F197-C284 HydrophobicContact CD2-CB 4.32Å; F197-C284 HydrophobicContact CE2-CB 3.87Å; F197-A287 HydrophobicContact CE1-CB 4.25Å; F197-A287 HydrophobicContact CE2-CB 4.18Å; F197-A287 HydrophobicContact CZ-CB 3.62Å; F197-A288 HydrophobicContact CZ-CB 4.37Å; F197-L291 HydrophobicContact CE1-CD2 4.18Å; F197-F310 HydrophobicContact CE1-CD1 4.49Å; F197-L312 HydrophobicContact CB-CD1 4.2Å; F197-L312 HydrophobicContact CB-CD2 4.48Å; F197-L312 HydrophobicContact CD1-CD1 4.2Å; F197-L312 HydrophobicContact CD1-CD2 3.83Å; F197-L312 HydrophobicContact CD2-CD2 4.32Å; F197-L312 HydrophobicContact CE1-CD2 4.17Å; F197-L312 HydrophobicContact CG-CD1 4.39Å; F197-L312 HydrophobicContact CG-CD2 3.95Å
198L98.9Very high98.6Very high6 Ų641.9 Ų41.93%0.03124%0.235CC..Hα-helixtrans-58.9-35.6173.1-73.3171.9000112.1T194 D195 I201 K202 I214 A240 A242 L312T194-L198 VanDerWaalsContact O-CG 3.3Å; T194-L198 WeakPolarHBondContact O-CG 3.49Å; T194-L198 PolarHBondContact O-N 3.24Å; D195-L198 WeakPolarHBondContact O-CB 3.48Å; D195-L198 PolarHBondContact O-N 2.82Å; L198-I201 HydrophobicContact CD2-CD1 4.42Å; L198-I201 PolarHBondContact O-N 3.33Å; L198-K202 VanDerWaalsContact O-CG 3.27Å; L198-K202 WeakPolarHBondContact O-CG 3.45Å; L198-K202 PolarHBondContact O-N 3.44Å; L198-I214 HydrophobicContact CD1-CG2 4.36Å; L198-I214 HydrophobicContact CD2-CD1 4.13Å; L198-I214 HydrophobicContact CD2-CG1 4.25Å; L198-I214 HydrophobicContact CD2-CG2 4.12Å; L198-A240 HydrophobicContact CD1-CB 3.97Å; L198-A240 HydrophobicContact CD2-CB 4.16Å; L198-A240 HydrophobicContact CG-CB 4.45Å; L198-A242 HydrophobicContact CD2-CB 3.67Å; L198-L312 HydrophobicContact CD2-CD1 3.64Å; L198-L312 HydrophobicContact CG-CD1 3.77Å
199D98.9Very high98.6Very high83 Ų8343.5 Ų43.544%0.44426%0.259SS..Hα-helixtrans-69-36.7175.9-69.1-18.6000112.5D195 H196 F197 K202 A203D195-D199 PolarHBondContact O-N 3.32Å; H196-D199 WeakPolarHBondContact O-CB 3.31Å; H196-D199 PolarHBondContact O-N 3.15Å; F197-D199 PolarHBondContact O-N 3.24Å; D199-K202 PolarHBondContact O-N 2.93Å; D199-K202 IonicContact OD1-NZ 2.93Å; D199-K202 PolarHBondContact OD1-NZ 3.48Å; D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 2.88Å
200E98.9Very high98.7Very high64 Ų6443.7 Ų43.730%0.29926%0.258SS..Hα-helixtrans-62.1-42.6169.7-68.1-67.9165.400111.6I184 M192 H196 F197 K202 A203 V204 L291I184-E200 HydrophobicContact CD1-CB 4.41Å; I184-E200 HydrophobicContact CD1-CG 4.44Å; I184-E200 HydrophobicContact CG1-CG 4.42Å; M192-E200 HydrophobicContact CE-CG 4.02Å; M192-E200 HydrophobicContact SD-CG 4.35Å; H196-E200 PolarHBondContact O-N 3.08Å; F197-E200 WeakPolarHBondContact O-CB 3.12Å; F197-E200 PolarHBondContact O-N 3.49Å; F197-E200 VanDerWaalsContact O-N 3.15Å; E200-K202 PolarHBondContact O-N 3.48Å; E200-A203 PolarHBondContact O-N 2.92Å; E200-V204 WeakPolarHBondContact O-CG2 3.21Å; E200-V204 PolarHBondContact O-N 2.77Å; E200-L291 HydrophobicContact CB-CD2 4.09Å
201I98.9Very high98.7Very high1 Ų145.1 Ų45.11%0.00526%0.263CS..Hα-helixtrans-61.3-45.2175.5-67.9165.1000110.7F197 L198 A203 V204 G205 P212 A242 L244 L291 F310 L312F197-I201 HydrophobicContact CD1-CD1 3.7Å; F197-I201 HydrophobicContact CD1-CG1 3.92Å; F197-I201 HydrophobicContact CE1-CD1 3.98Å; F197-I201 HydrophobicContact CE1-CG1 4.02Å; F197-I201 WeakPolarHBondContact O-CG1 3.43Å; F197-I201 PolarHBondContact O-N 2.97Å; L198-I201 HydrophobicContact CD2-CD1 4.42Å; L198-I201 PolarHBondContact O-N 3.33Å; I201-A203 VanDerWaalsContact C-N 3.35Å; I201-V204 PolarHBondContact O-N 3.5Å; I201-G205 PolarHBondContact O-N 2.75Å; I201-P212 HydrophobicContact CG2-CB 4.02Å; I201-P212 HydrophobicContact CG2-CG 4.46Å; I201-A242 HydrophobicContact CD1-CB 3.96Å; I201-L244 HydrophobicContact CG2-CD1 4.04Å; I201-L244 HydrophobicContact CG2-CD2 4.2Å; I201-L244 HydrophobicContact CG2-CG 3.94Å; I201-L291 HydrophobicContact CG1-CD1 4.2Å; I201-L291 HydrophobicContact CG1-CD2 4.2Å; I201-F310 HydrophobicContact CD1-CB 3.81Å; I201-F310 HydrophobicContact CD1-CD1 4.21Å; I201-F310 HydrophobicContact CD1-CD2 3.5Å; I201-F310 VanDerWaalsContact CD1-CD2 3.5Å; I201-F310 HydrophobicContact CD1-CE2 4.1Å; I201-F310 HydrophobicContact CD1-CG 3.56Å; I201-F310 HydrophobicContact CG1-CD2 3.97Å; I201-F310 HydrophobicContact CG1-CE2 4.05Å; I201-F310 HydrophobicContact CG1-CG 4.25Å; I201-F310 HydrophobicContact CG1-CZ 4.38Å; I201-F310 HydrophobicContact CG2-CD2 4.23Å; I201-F310 HydrophobicContact CG2-CE2 4.04Å; I201-L312 HydrophobicContact CD1-CD1 3.94Å
202K98.9Very high98.7Very high88 Ų8843.4 Ų43.438%0.38326%0.257SS..Hα-helixtrans-64.5-38.4176.3-69.5168.8-155.8155.90112L198 D199 E200 G205 S206 P212L198-K202 VanDerWaalsContact O-CG 3.27Å; L198-K202 WeakPolarHBondContact O-CG 3.45Å; L198-K202 PolarHBondContact O-N 3.44Å; D199-K202 PolarHBondContact O-N 2.93Å; D199-K202 IonicContact OD1-NZ 2.93Å; D199-K202 PolarHBondContact OD1-NZ 3.48Å; E200-K202 PolarHBondContact O-N 3.48Å; K202-G205 PolarHBondContact O-N 3.3Å; K202-S206 WeakPolarHBondContact O-CB 3.31Å; K202-S206 PolarHBondContact O-N 2.7Å; K202-P212 HydrophobicContact CG-CG 3.91Å
203A98.8Very high98.8Very high52 Ų5246.4 Ų46.443%0.4328%0.276SS..Hα-helixtrans-63.6-46178.100000111.1D199 E200 I201 S206 E207D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 2.88Å; E200-A203 PolarHBondContact O-N 2.92Å; I201-A203 VanDerWaalsContact C-N 3.35Å; A203-S206 PolarHBondContact O-N 2.92Å; A203-E207 PolarHBondContact O-N 3.47Å; A203-E207 VanDerWaalsContact O-N 3.08Å
204V98.9Very high98.8Very high4 Ų448.7 Ų48.72%0.02429%0.288CS..Hα-helixtrans-63.3-44.5173.1172.10000111.2L180 E200 I201 S206 E207 L208 L244 L291 K295L180-V204 HydrophobicContact CD2-CG2 3.9Å; E200-V204 WeakPolarHBondContact O-CG2 3.21Å; E200-V204 PolarHBondContact O-N 2.77Å; I201-V204 PolarHBondContact O-N 3.5Å; V204-S206 PolarHBondContact O-N 2.96Å; V204-E207 PolarHBondContact O-N 2.94Å; V204-L208 HydrophobicContact CG1-CD1 3.84Å; V204-L208 HydrophobicContact CG1-CG 4.42Å; V204-L208 WeakPolarHBondContact O-CG 3.36Å; V204-L208 PolarHBondContact O-N 3.48Å; V204-L208 VanDerWaalsContact O-N 3.08Å; V204-L244 HydrophobicContact CG1-CD1 4.22Å; V204-L291 HydrophobicContact CB-CD1 3.79Å; V204-L291 HydrophobicContact CG1-CD1 3.87Å; V204-L291 HydrophobicContact CG2-CD1 3.79Å; V204-L291 HydrophobicContact CG2-CD2 4.22Å; V204-L291 HydrophobicContact CG2-CG 3.96Å; V204-K295 HydrophobicContact CG1-CB 3.79Å; V204-K295 HydrophobicContact CG1-CD 4.34Å; V204-K295 HydrophobicContact CG1-CG 4.27Å; V204-K295 HydrophobicContact CG2-CD 4.1Å
205G98.8Very high98.8Very high0 Ų048.7 Ų48.70%029%0.288CS..Hα-helixtrans-55.4-50.3175.700000112.1I201 K202 E207 L208 G209 I210I201-G205 PolarHBondContact O-N 2.75Å; K202-G205 PolarHBondContact O-N 3.3Å; G205-E207 VanDerWaalsContact C-N 3.33Å; G205-E207 PolarHBondContact O-N 3.24Å; G205-L208 CarbonylContact O-C 3.59Å; G205-L208 PolarHBondContact O-N 3Å; G205-G209 PolarHBondContact O-N 3.35Å; G205-I210 CarbonylContact C-O 3.52Å; G205-I210 WeakPolarHBondContact CA-O 3.5Å; G205-I210 PolarHBondContact O-N 2.67Å
206S98.7Very high98.8Very high98 Ų9851.3 Ų51.369%0.68529%0.294SS*.Hα-helixtrans-57.4-43.4177-175.70000112.6K202 A203 V204 L208 G209K202-S206 WeakPolarHBondContact O-CB 3.31Å; K202-S206 PolarHBondContact O-N 2.7Å; A203-S206 PolarHBondContact O-N 2.92Å; V204-S206 PolarHBondContact O-N 2.96Å; S206-L208 PolarHBondContact O-N 3.4Å; S206-G209 PolarHBondContact O-N 2.93Å
207E98.4Very high98.7Very high97 Ų9748.1 Ų48.145%0.45328%0.282SS..Hα-helixtrans-63.5-30.1177.1-172.4178.8165.700113.1A203 V204 G205 K295 K299A203-E207 PolarHBondContact O-N 3.47Å; A203-E207 VanDerWaalsContact O-N 3.08Å; V204-E207 PolarHBondContact O-N 2.94Å; G205-E207 VanDerWaalsContact C-N 3.33Å; G205-E207 PolarHBondContact O-N 3.24Å; E207-K295 VanDerWaalsContact CD-NZ 3.31Å; E207-K295 WeakPolarHBondContact OE1-CE 3.19Å; E207-K295 IonicContact OE1-NZ 3.57Å; E207-K295 PolarHBondContact OE1-NZ 3.16Å; E207-K295 VanDerWaalsContact OE2-CE 3.23Å; E207-K295 WeakPolarHBondContact OE2-CE 3.34Å; E207-K295 IonicContact OE2-NZ 2.75Å; E207-K295 PolarHBondContact OE2-NZ 3.35Å; E207-K299 VanDerWaalsContact OE1-CE 3.23Å; E207-K299 WeakPolarHBondContact OE1-CE 3.47Å; E207-K299 IonicContact OE1-NZ 2.6Å; E207-K299 PolarHBondContact OE1-NZ 2.64Å
208L98.4Very high98.7Very high35 Ų3552.6 Ų52.618%0.18330%0.304CS..Hα-helixtrans-94.6-5.2178.2-60.6174.9000113.4V204 G205 S206 I210 F294 I298 K299V204-L208 HydrophobicContact CG1-CD1 3.84Å; V204-L208 HydrophobicContact CG1-CG 4.42Å; V204-L208 WeakPolarHBondContact O-CG 3.36Å; V204-L208 PolarHBondContact O-N 3.48Å; V204-L208 VanDerWaalsContact O-N 3.08Å; G205-L208 CarbonylContact O-C 3.59Å; G205-L208 PolarHBondContact O-N 3Å; S206-L208 PolarHBondContact O-N 3.4Å; L208-I210 VanDerWaalsContact C-N 3.31Å; L208-I210 HydrophobicContact CB-CD1 3.89Å; L208-I210 HydrophobicContact CB-CG1 4.06Å; L208-I210 HydrophobicContact CD1-CD1 4.17Å; L208-F294 HydrophobicContact CD1-CD1 3.84Å; L208-F294 HydrophobicContact CD1-CE1 3.7Å; L208-I298 HydrophobicContact CD1-CB 4.29Å; L208-I298 HydrophobicContact CD1-CG1 4.47Å; L208-I298 HydrophobicContact CD1-CG2 4.46Å; L208-I298 HydrophobicContact CD2-CB 4.21Å; L208-I298 HydrophobicContact CD2-CG2 4.11Å; L208-K299 HydrophobicContact CD2-CG 3.92Å
209G98.4Very high98.7Very high71 Ų7156 Ų5673%0.73232%0.319SS*.THydrogen-bonded Turntrans7122.8-171.500000114.4G205 S206G205-G209 PolarHBondContact O-N 3.35Å; S206-G209 PolarHBondContact O-N 2.93Å
210I98.6Very high98.7Very high23 Ų2352 Ų5212%0.11830%0.298CS..  trans-107.8125.2-178.7-60.6170.5000109.5G205 L208 L244 H246 F294G205-I210 CarbonylContact C-O 3.52Å; G205-I210 WeakPolarHBondContact CA-O 3.5Å; G205-I210 PolarHBondContact O-N 2.67Å; L208-I210 VanDerWaalsContact C-N 3.31Å; L208-I210 HydrophobicContact CB-CD1 3.89Å; L208-I210 HydrophobicContact CB-CG1 4.06Å; L208-I210 HydrophobicContact CD1-CD1 4.17Å; I210-L244 HydrophobicContact CB-CD2 4.31Å; I210-L244 HydrophobicContact CG2-CB 4.24Å; I210-L244 HydrophobicContact CG2-CD2 3.73Å; I210-H246 HydrophobicContact CD1-CB 4.41Å; I210-F294 HydrophobicContact CD1-CE1 3.79Å; I210-F294 HydrophobicContact CD1-CZ 3.9Å
211T98.6Very high98.7Very high128 Ų12854.2 Ų54.279%0.78531%0.306SS*.PPolyproline II helixtrans-88.4122.2172.1-60.30000109.7
212P98.7Very high98.7Very high23 Ų2361.5 Ų61.515%0.14934%0.341CS..PPolyproline II helixtrans-71.3140.7179.327.1-32.7000112I201 K202 I214 V243 L244I201-P212 HydrophobicContact CG2-CB 4.02Å; I201-P212 HydrophobicContact CG2-CG 4.46Å; K202-P212 HydrophobicContact CG-CG 3.91Å; P212-I214 HydrophobicContact CB-CG1 4.34Å; P212-I214 HydrophobicContact CG-CD1 4.34Å; P212-V243 CarbonylContact C-O 3.46Å; P212-V243 VanDerWaalsContact CA-O 3.22Å; P212-V243 WeakPolarHBondContact CA-O 3.49Å; P212-L244 HydrophobicContact CB-CD2 3.78Å; P212-L244 HydrophobicContact CG-CD2 4.41Å
213V98.8Very high98.6Very high74 Ų7461.9 Ų61.945%0.44834%0.34SS..EExtended strand (participates in β ladder)trans-81.4133.3162.7176.70000107.9A242 V243V213-A242 CarbonylContact O-C 3.59Å; V213-A242 VanDerWaalsContact O-CA 3.24Å; V213-A242 WeakPolarHBondContact O-CA 3.32Å; V213-V243 HydrophobicContact CB-CB 4.35Å; V213-V243 PolarHBondContact N-O 3.08Å; V213-V243 PolarHBondContact O-N 3.42Å
214I98.9Very high98.6Very high54 Ų5461 Ų6128%0.27734%0.336SS..EExtended strand (participates in β ladder)trans-132.5124.9-177.9-59.3172000109.3L198 P212 R216 A240 L241 A242L198-I214 HydrophobicContact CD1-CG2 4.36Å; L198-I214 HydrophobicContact CD2-CD1 4.13Å; L198-I214 HydrophobicContact CD2-CG1 4.25Å; L198-I214 HydrophobicContact CD2-CG2 4.12Å; P212-I214 HydrophobicContact CB-CG1 4.34Å; P212-I214 HydrophobicContact CG-CD1 4.34Å; I214-R216 HydrophobicContact CG2-CB 4.13Å; I214-A240 HydrophobicContact CG2-CB 4.49Å; I214-L241 WeakPolarHBondContact CA-O 3.31Å; I214-A242 HydrophobicContact CG1-CB 4.23Å
215I98.9Very high98.6Very high0 Ų060.9 Ų60.90%034%0.335CS..EExtended strand (participates in β ladder)trans-114.4115.2173.3-49.7173.1000106.7E219 L220 R223 F225 A240 L241 Y355I215-E219 HydrophobicContact CG2-CB 4.15Å; I215-E219 HydrophobicContact CG2-CG 3.92Å; I215-L220 HydrophobicContact CB-CD2 4.02Å; I215-L220 HydrophobicContact CG2-CD2 3.66Å; I215-L220 HydrophobicContact CG2-CG 3.99Å; I215-R223 VanDerWaalsContact CG1-NH1 3.34Å; I215-F225 HydrophobicContact CD1-CE2 3.89Å; I215-F225 HydrophobicContact CD1-CZ 3.81Å; I215-F225 HydrophobicContact CG2-CE2 4.42Å; I215-A240 CarbonylContact O-C 3.48Å; I215-A240 VanDerWaalsContact O-CA 3.24Å; I215-A240 WeakPolarHBondContact O-CA 3.13Å; I215-L241 HydrophobicContact CB-CB 4.44Å; I215-L241 HydrophobicContact CD1-CD2 3.92Å; I215-L241 PolarHBondContact N-O 3.13Å; I215-L241 PolarHBondContact O-N 2.63Å; I215-Y355 HydrophobicContact CD1-CE2 4.21Å
216R98.8Very high98.6Very high98 Ų9861.6 Ų61.637%0.3734%0.342SS..EExtended strand (participates in β ladder)trans-134.2143.3-165.9-175.2168.7175.8-111.8-0.4113.8D195 I214 E218 E219 P238 A240D195-R216 IonicContact OD1-CZ 3.38Å; D195-R216 VanDerWaalsContact OD1-CZ 3.25Å; D195-R216 IonicContact OD1-NE 3.15Å; D195-R216 PolarHBondContact OD1-NE 3.1Å; D195-R216 IonicContact OD1-NH2 3.02Å; D195-R216 PolarHBondContact OD1-NH2 3.39Å; D195-R216 IonicContact OD2-NH2 2.68Å; D195-R216 PolarHBondContact OD2-NH2 3.02Å; I214-R216 HydrophobicContact CG2-CB 4.13Å; R216-E218 PolarHBondContact O-N 3.33Å; R216-E219 WeakPolarHBondContact O-CB 3.49Å; R216-E219 PolarHBondContact O-N 2.91Å; R216-P238 HydrophobicContact CG-CB 4.18Å; R216-A240 HydrophobicContact CB-CB 4.12Å; R216-A240 HydrophobicContact CG-CB 4.07Å
217G98.4Very high98.6Very high11 Ų1156.9 Ų56.911%0.11331%0.309CS..THydrogen-bonded Turntrans58.4-126.7172.700000112.9E219 L220 P239G217-E219 PolarHBondContact O-N 3.29Å; G217-L220 WeakPolarHBondContact O-CB 3.27Å; G217-L220 PolarHBondContact O-N 3.4Å; G217-L220 VanDerWaalsContact O-N 3.09Å; G217-P239 PolarHBondContact N-O 3.03Å
218E98.4Very high98.7Very high95 Ų9552.3 Ų52.344%0.44429%0.288SS..Hα-helixtrans-62.8-21.8-178.7-69.8-61.4127.200113.6R216 L220 K221 Q222 Y229R216-E218 PolarHBondContact O-N 3.33Å; E218-L220 VanDerWaalsContact C-N 3.3Å; E218-L220 PolarHBondContact O-N 3.21Å; E218-K221 WeakPolarHBondContact O-CB 3.09Å; E218-K221 PolarHBondContact O-N 2.65Å; E218-K221 WeakPolarHBondContact OE2-CD 3.24Å; E218-K221 IonicContact OE2-NZ 3.07Å; E218-K221 PolarHBondContact OE2-NZ 3.36Å; E218-Q222 VanDerWaalsContact O-CG 3.27Å; E218-Q222 WeakPolarHBondContact O-CG 3.27Å; E218-Q222 PolarHBondContact O-N 3.3Å; E218-Y229 VanDerWaalsContact OE1-CE2 3.26Å; E218-Y229 WeakPolarHBondContact OE1-CE2 3.03Å; E218-Y229 PolarHBondContact OE1-OH 3.29Å
219E98.8Very high98.7Very high77 Ų7752.3 Ų52.336%0.3629%0.286SS..Hα-helixtrans-63.4-37.9174.1-165.3-165.7156.300111.3I215 R216 G217 K221 Q222 R223I215-E219 HydrophobicContact CG2-CB 4.15Å; I215-E219 HydrophobicContact CG2-CG 3.92Å; R216-E219 WeakPolarHBondContact O-CB 3.49Å; R216-E219 PolarHBondContact O-N 2.91Å; G217-E219 PolarHBondContact O-N 3.29Å; E219-K221 VanDerWaalsContact C-N 3.31Å; E219-K221 PolarHBondContact O-N 3.3Å; E219-Q222 PolarHBondContact O-N 2.87Å; E219-R223 HydrophobicContact CG-CG 4.35Å; E219-R223 WeakPolarHBondContact O-CB 3.37Å; E219-R223 WeakPolarHBondContact O-CG 3.33Å; E219-R223 PolarHBondContact O-N 3.41Å; E219-R223 WeakPolarHBondContact OE1-CD 3.34Å; E219-R223 IonicContact OE1-NH1 2.67Å; E219-R223 PolarHBondContact OE1-NH1 3.3Å
220L98.9Very high98.7Very high0 Ų049 Ų490%025%0.251CS..Hα-helixtrans-57.9-47174.8-73.1166.9000110.6I215 G217 E218 R223 G224 F225 I228 P239 L241I215-L220 HydrophobicContact CB-CD2 4.02Å; I215-L220 HydrophobicContact CG2-CD2 3.66Å; I215-L220 HydrophobicContact CG2-CG 3.99Å; G217-L220 WeakPolarHBondContact O-CB 3.27Å; G217-L220 PolarHBondContact O-N 3.4Å; G217-L220 VanDerWaalsContact O-N 3.09Å; E218-L220 VanDerWaalsContact C-N 3.3Å; E218-L220 PolarHBondContact O-N 3.21Å; L220-R223 PolarHBondContact O-N 3.21Å; L220-G224 PolarHBondContact O-N 2.96Å; L220-G224 VanDerWaalsContact O-N 3.12Å; L220-F225 HydrophobicContact CB-CB 3.97Å; L220-F225 HydrophobicContact CD2-CB 3.72Å; L220-F225 HydrophobicContact CD2-CD1 4.29Å; L220-F225 HydrophobicContact CD2-CD2 3.99Å; L220-F225 HydrophobicContact CD2-CG 3.75Å; L220-F225 HydrophobicContact CG-CB 4.47Å; L220-F225 WeakPolarHBondContact O-CB 3.35Å; L220-F225 PolarHBondContact O-N 3.26Å; L220-I228 HydrophobicContact CD1-CB 4.47Å; L220-I228 HydrophobicContact CD1-CG2 3.79Å; L220-P239 HydrophobicContact CD1-CB 4Å; L220-P239 HydrophobicContact CD1-CG 4.02Å; L220-P239 WeakPolarHBondContact CD1-O 3.49Å; L220-L241 HydrophobicContact CD2-CB 3.93Å
221K98.4Very high98.7Very high109 Ų10948.3 Ų48.347%0.47425%0.249SC..Hα-helixtrans-61.3-47.7177.5-176-165.8-167.51670111.8E218 E219 R223 G224 Y229E218-K221 WeakPolarHBondContact O-CB 3.09Å; E218-K221 PolarHBondContact O-N 2.65Å; E218-K221 WeakPolarHBondContact OE2-CD 3.24Å; E218-K221 IonicContact OE2-NZ 3.07Å; E218-K221 PolarHBondContact OE2-NZ 3.36Å; E219-K221 VanDerWaalsContact C-N 3.31Å; E219-K221 PolarHBondContact O-N 3.3Å; K221-R223 VanDerWaalsContact C-N 3.25Å; K221-R223 PolarHBondContact O-N 3.44Å; K221-G224 PolarHBondContact O-N 3.24Å; K221-G224 VanDerWaalsContact O-N 3.14Å; K221-Y229 HydrophobicContact CB-CD1 3.91Å; K221-Y229 HydrophobicContact CB-CD2 3.79Å; K221-Y229 HydrophobicContact CB-CE1 3.96Å; K221-Y229 HydrophobicContact CB-CE2 3.84Å; K221-Y229 HydrophobicContact CB-CG 3.81Å; K221-Y229 HydrophobicContact CD-CD1 4.47Å; K221-Y229 HydrophobicContact CD-CE1 3.77Å; K221-Y229 HydrophobicContact CD-CE2 4.26Å; K221-Y229 HydrophobicContact CG-CD1 4.05Å; K221-Y229 HydrophobicContact CG-CE1 3.83Å; K221-Y229 HydrophobicContact CG-CE2 4.48Å; K221-Y229 HydrophobicContact CG-CG 4.46Å; K221-Y229 PolarHBondContact NZ-OH 3.38Å
222Q98.6Very high98.7Very high155 Ų15542.2 Ų42.272%0.72421%0.211SC*.Hα-helixtrans-62.5-34.5-179-70.8168.616.300112.1E218 E219E218-Q222 VanDerWaalsContact O-CG 3.27Å; E218-Q222 WeakPolarHBondContact O-CG 3.27Å; E218-Q222 PolarHBondContact O-N 3.3Å; E219-Q222 PolarHBondContact O-N 2.87Å
223R98.5Very high98.7Very high96 Ų9644 Ų4436%0.36222%0.217SC..THydrogen-bonded Turntrans-87.30.7177.9-66.5-179.262.4172-2.6114.3I215 E219 L220 K221 F225I215-R223 VanDerWaalsContact CG1-NH1 3.34Å; E219-R223 HydrophobicContact CG-CG 4.35Å; E219-R223 WeakPolarHBondContact O-CB 3.37Å; E219-R223 WeakPolarHBondContact O-CG 3.33Å; E219-R223 PolarHBondContact O-N 3.41Å; E219-R223 WeakPolarHBondContact OE1-CD 3.34Å; E219-R223 IonicContact OE1-NH1 2.67Å; E219-R223 PolarHBondContact OE1-NH1 3.3Å; L220-R223 PolarHBondContact O-N 3.21Å; K221-R223 VanDerWaalsContact C-N 3.25Å; K221-R223 PolarHBondContact O-N 3.44Å; R223-F225 HydrophobicContact CB-CD2 3.71Å; R223-F225 HydrophobicContact CB-CE2 3.66Å
224G98.4Very high98.7Very high34 Ų3441.4 Ų41.435%0.35120%0.203SC..THydrogen-bonded Turntrans86.416.3174.800000116L220 K221 G226 L330 Y331L220-G224 PolarHBondContact O-N 2.96Å; L220-G224 VanDerWaalsContact O-N 3.12Å; K221-G224 PolarHBondContact O-N 3.24Å; K221-G224 VanDerWaalsContact O-N 3.14Å; G224-G226 PolarHBondContact O-N 3.13Å; G224-L330 CarbonylContact O-C 3.58Å; G224-Y331 WeakPolarHBondContact O-CA 3.33Å; G224-Y331 PolarHBondContact O-N 2.98Å
225F98.8Very high98.7Very high0 Ų039.7 Ų39.70%020%0.197CC..  trans-7962173.6-65-94.2000111.3I215 L220 R223 G227 I228 Y229 L241 Y331 D351 Y355I215-F225 HydrophobicContact CD1-CE2 3.89Å; I215-F225 HydrophobicContact CD1-CZ 3.81Å; I215-F225 HydrophobicContact CG2-CE2 4.42Å; L220-F225 HydrophobicContact CB-CB 3.97Å; L220-F225 HydrophobicContact CD2-CB 3.72Å; L220-F225 HydrophobicContact CD2-CD1 4.29Å; L220-F225 HydrophobicContact CD2-CD2 3.99Å; L220-F225 HydrophobicContact CD2-CG 3.75Å; L220-F225 HydrophobicContact CG-CB 4.47Å; L220-F225 WeakPolarHBondContact O-CB 3.35Å; L220-F225 PolarHBondContact O-N 3.26Å; R223-F225 HydrophobicContact CB-CD2 3.71Å; R223-F225 HydrophobicContact CB-CE2 3.66Å; F225-G227 VanDerWaalsContact C-N 3.27Å; F225-G227 PolarHBondContact O-N 3.45Å; F225-I228 HydrophobicContact CD1-CD1 4.38Å; F225-Y229 WeakPolarHBondContact O-CB 3.47Å; F225-Y229 PolarHBondContact O-N 3.01Å; F225-L241 HydrophobicContact CD1-CD1 4.37Å; F225-L241 HydrophobicContact CE1-CD1 4.02Å; F225-Y331 HydrophobicContact CD1-CD1 4.47Å; F225-Y331 HydrophobicContact CD1-CD2 4.04Å; F225-Y331 AromaticContact CD1-CG 3.96Å; F225-Y331 HydrophobicContact CD1-CG 3.96Å; F225-Y331 HydrophobicContact CD2-CD2 4.1Å; F225-Y331 HydrophobicContact CD2-CE2 4.31Å; F225-Y331 AromaticContact CE1-CD1 3.95Å; F225-Y331 HydrophobicContact CE1-CD1 3.95Å; F225-Y331 AromaticContact CE1-CD2 3.9Å; F225-Y331 HydrophobicContact CE1-CD2 3.9Å; F225-Y331 HydrophobicContact CE1-CE1 4.17Å; F225-Y331 HydrophobicContact CE1-CE2 4.11Å; F225-Y331 AromaticContact CE1-CG 3.83Å; F225-Y331 HydrophobicContact CE1-CG 3.83Å; F225-Y331 AromaticContact CE2-CD2 3.98Å; F225-Y331 HydrophobicContact CE2-CD2 3.98Å; F225-Y331 AromaticContact CE2-CE2 3.76Å; F225-Y331 HydrophobicContact CE2-CE2 3.76Å; F225-Y331 HydrophobicContact CG-CD2 4.13Å; F225-Y331 HydrophobicContact CG-CG 4.46Å; F225-Y331 HydrophobicContact CZ-CD1 4.34Å; F225-Y331 AromaticContact CZ-CD2 3.87Å; F225-Y331 HydrophobicContact CZ-CD2 3.87Å; F225-Y331 HydrophobicContact CZ-CE1 4.15Å; F225-Y331 AromaticContact CZ-CE2 3.65Å; F225-Y331 HydrophobicContact CZ-CE2 3.65Å; F225-Y331 HydrophobicContact CZ-CG 4.22Å; F225-Y331 AromaticContact CZ-CZ 3.8Å; F225-D351 WeakPolarHBondContact CA-OD2 3.39Å; F225-D351 HydrophobicContact CD1-CB 4.12Å; F225-Y355 AromaticContact CE1-CD2 3.96Å; F225-Y355 HydrophobicContact CE1-CD2 3.96Å; F225-Y355 HydrophobicContact CE1-CG 4.35Å; F225-Y355 AromaticContact CZ-CD2 3.68Å; F225-Y355 HydrophobicContact CZ-CD2 3.68Å; F225-Y355 HydrophobicContact CZ-CE2 4.26Å; F225-Y355 HydrophobicContact CZ-CG 4.5Å
226G98.8Very high98.6Very high15 Ų1548 Ų4816%0.15524%0.235CC..Hα-helixtrans-69.2-19.6-172.700000114.8G224 G230 H328 T329G224-G226 PolarHBondContact O-N 3.13Å; G226-G230 WeakPolarHBondContact O-CA 3.14Å; G226-G230 PolarHBondContact O-N 3.38Å; G226-H328 PolarHBondContact O-ND1 3.25Å; G226-T329 VanDerWaalsContact CA-O 3.28Å; G226-T329 WeakPolarHBondContact CA-O 3.48Å; G226-T329 PolarHBondContact N-O 3.48Å
227G98.8Very high98.6Very high0 Ų045.3 Ų45.30%023%0.227CC..Hα-helixtrans-71.6-61172.500000111.1F225 Y229 G230 V231 D351F225-G227 VanDerWaalsContact C-N 3.27Å; F225-G227 PolarHBondContact O-N 3.45Å; G227-Y229 PolarHBondContact O-N 3.26Å; G227-G230 PolarHBondContact O-N 3.15Å; G227-V231 WeakPolarHBondContact O-CG2 3.48Å; G227-V231 PolarHBondContact O-N 3.31Å; G227-D351 WeakPolarHBondContact CA-OD2 3.33Å; G227-D351 PolarHBondContact N-OD2 3.03Å
228I98.9Very high98.6Very high0 Ų046.8 Ų46.80%023%0.234CC..Hα-helixtrans-60.8-49.2-179.1-59.7172.9000111.2L220 F225 G230 V231 G232 P239 L241 C311 V348 D351L220-I228 HydrophobicContact CD1-CB 4.47Å; L220-I228 HydrophobicContact CD1-CG2 3.79Å; F225-I228 HydrophobicContact CD1-CD1 4.38Å; I228-G230 VanDerWaalsContact C-N 3.33Å; I228-G230 PolarHBondContact O-N 2.96Å; I228-V231 PolarHBondContact O-N 2.85Å; I228-G232 PolarHBondContact O-N 3.24Å; I228-G232 VanDerWaalsContact O-N 3.13Å; I228-P239 HydrophobicContact CG2-CB 4.02Å; I228-L241 HydrophobicContact CD1-CB 4.09Å; I228-L241 HydrophobicContact CD1-CD1 3.6Å; I228-L241 HydrophobicContact CD1-CG 4.43Å; I228-C311 HydrophobicContact CD1-CB 4.15Å; I228-C311 HydrophobicContact CG1-CB 4.47Å; I228-V348 HydrophobicContact CG1-CB 3.85Å; I228-V348 HydrophobicContact CG1-CG1 4.34Å; I228-D351 HydrophobicContact CD1-CB 3.79Å; I228-D351 HydrophobicContact CG1-CB 3.78Å; I228-D351 PolarHBondContact N-OD2 3.15Å
229Y98.9Very high98.6Very high35 Ų3542.4 Ų42.414%0.13722%0.215CC..Hα-helixtrans-61-44.9177.5176.4-100.7000111.2E218 K221 F225 G227 V231 G232 K233E218-Y229 VanDerWaalsContact OE1-CE2 3.26Å; E218-Y229 WeakPolarHBondContact OE1-CE2 3.03Å; E218-Y229 PolarHBondContact OE1-OH 3.29Å; K221-Y229 HydrophobicContact CB-CD1 3.91Å; K221-Y229 HydrophobicContact CB-CD2 3.79Å; K221-Y229 HydrophobicContact CB-CE1 3.96Å; K221-Y229 HydrophobicContact CB-CE2 3.84Å; K221-Y229 HydrophobicContact CB-CG 3.81Å; K221-Y229 HydrophobicContact CD-CD1 4.47Å; K221-Y229 HydrophobicContact CD-CE1 3.77Å; K221-Y229 HydrophobicContact CD-CE2 4.26Å; K221-Y229 HydrophobicContact CG-CD1 4.05Å; K221-Y229 HydrophobicContact CG-CE1 3.83Å; K221-Y229 HydrophobicContact CG-CE2 4.48Å; K221-Y229 HydrophobicContact CG-CG 4.46Å; K221-Y229 PolarHBondContact NZ-OH 3.38Å; F225-Y229 WeakPolarHBondContact O-CB 3.47Å; F225-Y229 PolarHBondContact O-N 3.01Å; G227-Y229 PolarHBondContact O-N 3.26Å; Y229-V231 VanDerWaalsContact C-N 3.32Å; Y229-V231 PolarHBondContact O-N 2.76Å; Y229-G232 PolarHBondContact O-N 2.95Å; Y229-K233 HydrophobicContact CE1-CB 4.25Å; Y229-K233 HydrophobicContact CE1-CD 4.18Å; Y229-K233 HydrophobicContact CE2-CB 4.3Å; Y229-K233 VanDerWaalsContact O-CB 3.26Å; Y229-K233 WeakPolarHBondContact O-CB 3.43Å; Y229-K233 PolarHBondContact O-N 3.37Å
230G98.8Very high98.6Very high1 Ų138.8 Ų38.81%0.0120%0.197CC..Hα-helixtrans-57.8-43.3-179.600000113.5G226 G227 I228 K233 T322 H328G226-G230 WeakPolarHBondContact O-CA 3.14Å; G226-G230 PolarHBondContact O-N 3.38Å; G227-G230 PolarHBondContact O-N 3.15Å; I228-G230 VanDerWaalsContact C-N 3.33Å; I228-G230 PolarHBondContact O-N 2.96Å; G230-K233 WeakPolarHBondContact O-CE 3.43Å; G230-T322 PolarHBondContact O-OG1 2.9Å; G230-H328 WeakPolarHBondContact CA-CE1 3.22Å
231V98.9Very high98.6Very high10 Ų1038.8 Ų38.86%0.06120%0.197CC..Hα-helixtrans-68.4-47178.2171.40000111.3G227 I228 Y229 I262 A313 N315 E344 L347 V348G227-V231 WeakPolarHBondContact O-CG2 3.48Å; G227-V231 PolarHBondContact O-N 3.31Å; I228-V231 PolarHBondContact O-N 2.85Å; Y229-V231 VanDerWaalsContact C-N 3.32Å; Y229-V231 PolarHBondContact O-N 2.76Å; V231-I262 HydrophobicContact CG1-CD1 4.03Å; V231-A313 HydrophobicContact CG1-CB 4.03Å; V231-N315 HydrophobicContact CG1-CB 4.2Å; V231-E344 HydrophobicContact CB-CB 4.39Å; V231-E344 HydrophobicContact CG1-CB 3.71Å; V231-E344 HydrophobicContact CG1-CG 3.9Å; V231-E344 HydrophobicContact CG2-CB 3.72Å; V231-L347 HydrophobicContact CG2-CB 4.1Å; V231-L347 HydrophobicContact CG2-CD1 3.92Å; V231-V348 HydrophobicContact CB-CG1 3.8Å; V231-V348 HydrophobicContact CG1-CG1 4.01Å; V231-V348 HydrophobicContact CG2-CG1 3.78Å
232G98.8Very high98.7Very high0 Ų033.6 Ų33.60%018%0.175CC..Hα-helixtrans-90.3-9.7-170.300000117.1I228 Y229 A234 A235I228-G232 PolarHBondContact O-N 3.24Å; I228-G232 VanDerWaalsContact O-N 3.13Å; Y229-G232 PolarHBondContact O-N 2.95Å; G232-A234 PolarHBondContact O-N 3.3Å; G232-A235 WeakPolarHBondContact O-CB 3.49Å; G232-A235 PolarHBondContact O-N 2.78Å; G232-A235 VanDerWaalsContact O-N 3.09Å
233K98.6Very high98.7Very high60 Ų6026.3 Ų26.326%0.26114%0.141SC..THydrogen-bonded Turntrans-61.5-12.8-172.663177.6169.7171.60116Y229 G230 T320 T322Y229-K233 HydrophobicContact CE1-CB 4.25Å; Y229-K233 HydrophobicContact CE1-CD 4.18Å; Y229-K233 HydrophobicContact CE2-CB 4.3Å; Y229-K233 VanDerWaalsContact O-CB 3.26Å; Y229-K233 WeakPolarHBondContact O-CB 3.43Å; Y229-K233 PolarHBondContact O-N 3.37Å; G230-K233 WeakPolarHBondContact O-CE 3.43Å; K233-T320 WeakPolarHBondContact CD-O 3.01Å; K233-T320 WeakPolarHBondContact CE-O 3.33Å; K233-T320 PolarHBondContact NZ-O 2.79Å; K233-T320 PolarHBondContact O-OG1 3.06Å; K233-T322 WeakPolarHBondContact CE-OG1 3.36Å; K233-T322 PolarHBondContact NZ-OG1 2.87Å
234A98.4Very high98.7Very high19 Ų1921.7 Ų21.716%0.15712%0.124CC..THydrogen-bonded Turntrans-95.7-10.2178.800000114G232 A321G232-A234 PolarHBondContact O-N 3.3Å; A234-A321 HydrophobicContact CB-CB 3.81Å
235A98.3Very high98.7Very high18 Ų1822 Ų2215%0.14912%0.12CC..SBendtrans-77.2156.4-179.900000112G232 E314 S316G232-A235 WeakPolarHBondContact O-CB 3.49Å; G232-A235 PolarHBondContact O-N 2.78Å; G232-A235 VanDerWaalsContact O-N 3.09Å; A235-E314 HydrophobicContact CB-CB 3.68Å; A235-E314 HydrophobicContact CB-CG 4.42Å; A235-S316 WeakPolarHBondContact CB-OG 3.49Å
236E97.4Very high98.7Very high174 Ų17423.7 Ų23.781%0.81313%0.128SC*.SBendtrans-64.8-42.5171.6179.9176.4179.300111.3
237H98.6Very high98.7Very high42 Ų4227.1 Ų27.119%0.19415%0.146CC..SBendtrans-94.2120.1177.9-61.8-83.1000110N193 T194 D195N193-H237 HydrophobicContact CB-CB 4.36Å; N193-H237 PolarHBondContact ND2-CD2 3.08Å; N193-H237 PolarHBondContact ND2-CE1 3.45Å; N193-H237 VanDerWaalsContact ND2-CE1 3.27Å; N193-H237 PolarHBondContact ND2-NE2 2.82Å; T194-H237 WeakPolarHBondContact OG1-CB 3.42Å; T194-H237 PolarHBondContact OG1-O 3.37Å; D195-H237 IonicContact OD2-CE1 2.82Å; D195-H237 IonicContact OD2-CG 3.07Å; D195-H237 IonicContact OD2-ND1 3.78Å; D195-H237 PolarHBondContact OD2-ND1 3.25Å
238P98.6Very high98.6Very high42 Ų4228.8 Ų28.827%0.27316%0.157SC..PPolyproline II helixtrans-57.3149-174.9-26.131.8000113.8T194 R216T194-P238 WeakPolarHBondContact CB-O 3.34Å; T194-P238 PolarHBondContact OG1-O 3.46Å; R216-P238 HydrophobicContact CG-CB 4.18Å
239P98.9Very high98.5Very high4 Ų437 Ų373%0.02620%0.201CC..PPolyproline II helixtrans-67.6156.8170.927.9-32.4000111.5G217 L220 I228 L312 A313G217-P239 PolarHBondContact N-O 3.03Å; L220-P239 HydrophobicContact CD1-CB 4Å; L220-P239 HydrophobicContact CD1-CG 4.02Å; L220-P239 WeakPolarHBondContact CD1-O 3.49Å; I228-P239 HydrophobicContact CG2-CB 4.02Å; P239-L312 CarbonylContact C-O 3.56Å; P239-L312 VanDerWaalsContact CA-O 3.26Å; P239-L312 WeakPolarHBondContact CA-O 3.19Å; P239-L312 WeakPolarHBondContact CB-O 3.42Å; P239-A313 HydrophobicContact CB-CB 4.04Å
240A98.9Very high98.2Very high0 Ų038.8 Ų38.80%023%0.23CC..EExtended strand (participates in β ladder)trans-147145.2178.400000112.1L198 I214 I215 R216 L312L198-A240 HydrophobicContact CD1-CB 3.97Å; L198-A240 HydrophobicContact CD2-CB 4.16Å; L198-A240 HydrophobicContact CG-CB 4.45Å; I214-A240 HydrophobicContact CG2-CB 4.49Å; I215-A240 CarbonylContact O-C 3.48Å; I215-A240 VanDerWaalsContact O-CA 3.24Å; I215-A240 WeakPolarHBondContact O-CA 3.13Å; R216-A240 HydrophobicContact CB-CB 4.12Å; R216-A240 HydrophobicContact CG-CB 4.07Å; A240-L312 HydrophobicContact CB-CB 4.46Å; A240-L312 PolarHBondContact N-O 2.86Å; A240-L312 WeakPolarHBondContact O-CA 3.4Å; A240-L312 WeakPolarHBondContact O-CB 3.47Å; A240-L312 PolarHBondContact O-N 2.85Å
241L98.9Very high98.1Very high0 Ų040.1 Ų40.10%024%0.241CC..EExtended strand (participates in β ladder)trans-101.4124.3157.5-175.7132.6000107.7I214 I215 L220 F225 I228 V243 V309 F310 Y355I214-L241 WeakPolarHBondContact CA-O 3.31Å; I215-L241 HydrophobicContact CB-CB 4.44Å; I215-L241 HydrophobicContact CD1-CD2 3.92Å; I215-L241 PolarHBondContact N-O 3.13Å; I215-L241 PolarHBondContact O-N 2.63Å; L220-L241 HydrophobicContact CD2-CB 3.93Å; F225-L241 HydrophobicContact CD1-CD1 4.37Å; F225-L241 HydrophobicContact CE1-CD1 4.02Å; I228-L241 HydrophobicContact CD1-CB 4.09Å; I228-L241 HydrophobicContact CD1-CD1 3.6Å; I228-L241 HydrophobicContact CD1-CG 4.43Å; L241-V243 HydrophobicContact CD2-CG2 3.7Å; L241-V309 HydrophobicContact CD1-CG1 3.92Å; L241-V309 HydrophobicContact CD2-CG1 4.37Å; L241-V309 HydrophobicContact CG-CG1 4.12Å; L241-F310 WeakPolarHBondContact CA-O 3.41Å; L241-Y355 HydrophobicContact CD1-CG 4.48Å; L241-Y355 HydrophobicContact CD2-CD1 4Å; L241-Y355 HydrophobicContact CD2-CD2 4.39Å; L241-Y355 HydrophobicContact CD2-CE1 4.05Å; L241-Y355 HydrophobicContact CD2-CE2 4.41Å; L241-Y355 HydrophobicContact CD2-CG 4.17Å
242A98.9Very high97.9Very high0 Ų045.3 Ų45.30%027%0.273CS..EExtended strand (participates in β ladder)trans-122.7147.3177.300000111L198 I201 V213 I214 V309 F310L198-A242 HydrophobicContact CD2-CB 3.67Å; I201-A242 HydrophobicContact CD1-CB 3.96Å; V213-A242 CarbonylContact O-C 3.59Å; V213-A242 VanDerWaalsContact O-CA 3.24Å; V213-A242 WeakPolarHBondContact O-CA 3.32Å; I214-A242 HydrophobicContact CG1-CB 4.23Å; A242-V309 CarbonylContact O-C 3.51Å; A242-V309 WeakPolarHBondContact O-CA 3.41Å; A242-F310 HydrophobicContact CB-CB 4.37Å; A242-F310 HydrophobicContact CB-CD2 4.25Å; A242-F310 PolarHBondContact N-O 2.94Å; A242-F310 WeakPolarHBondContact O-CD2 3.4Å; A242-F310 PolarHBondContact O-N 3.48Å
243V98.9Very high97.8Very high2 Ų249.4 Ų49.41%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-137.7125.6-175.3-168.90000110.6P212 V213 L241 A308 V309 Y355 L360P212-V243 CarbonylContact C-O 3.46Å; P212-V243 VanDerWaalsContact CA-O 3.22Å; P212-V243 WeakPolarHBondContact CA-O 3.49Å; V213-V243 HydrophobicContact CB-CB 4.35Å; V213-V243 PolarHBondContact N-O 3.08Å; V213-V243 PolarHBondContact O-N 3.42Å; L241-V243 HydrophobicContact CD2-CG2 3.7Å; V243-A308 VanDerWaalsContact CA-O 3.29Å; V243-A308 WeakPolarHBondContact CA-O 3.27Å; V243-V309 HydrophobicContact CG1-CG2 4.25Å; V243-V309 HydrophobicContact CG2-CG1 4.47Å; V243-V309 HydrophobicContact CG2-CG2 4.4Å; V243-Y355 HydrophobicContact CG2-CD1 4.35Å; V243-Y355 HydrophobicContact CG2-CE1 3.6Å; V243-L360 HydrophobicContact CG1-CD1 4.14Å
244L98.9Very high97.8Very high0 Ų047.5 Ų47.50%029%0.285CS..EExtended strand (participates in β ladder)trans-102.2135.2163.1-67.1171.7000108.5I201 V204 I210 P212 L291 F294 H307 A308 F310I201-L244 HydrophobicContact CG2-CD1 4.04Å; I201-L244 HydrophobicContact CG2-CD2 4.2Å; I201-L244 HydrophobicContact CG2-CG 3.94Å; V204-L244 HydrophobicContact CG1-CD1 4.22Å; I210-L244 HydrophobicContact CB-CD2 4.31Å; I210-L244 HydrophobicContact CG2-CB 4.24Å; I210-L244 HydrophobicContact CG2-CD2 3.73Å; P212-L244 HydrophobicContact CB-CD2 3.78Å; P212-L244 HydrophobicContact CG-CD2 4.41Å; L244-L291 HydrophobicContact CD1-CD1 4Å; L244-F294 HydrophobicContact CB-CD1 4.23Å; L244-F294 HydrophobicContact CB-CE1 3.65Å; L244-F294 HydrophobicContact CB-CZ 3.88Å; L244-F294 HydrophobicContact CD1-CD1 4.01Å; L244-F294 HydrophobicContact CD1-CE1 4.05Å; L244-F294 HydrophobicContact CG-CE1 4.46Å; L244-H307 CarbonylContact O-C 3.58Å; L244-H307 WeakPolarHBondContact O-CA 3.44Å; L244-A308 HydrophobicContact CB-CB 4.42Å; L244-A308 PolarHBondContact N-O 3.38Å; L244-A308 PolarHBondContact O-N 2.82Å; L244-F310 HydrophobicContact CD1-CE2 4.06Å; L244-F310 HydrophobicContact CD1-CZ 4.3Å; L244-F310 HydrophobicContact CG-CE2 4.12Å
245S98.9Very high97.8Very high39 Ų3946.8 Ų46.827%0.27328%0.279SS..EExtended strand (participates in β ladder)trans-128.5126.2-177.1-58.40000110.8H307S245-H307 VanDerWaalsContact CB-ND1 3.29Å; S245-H307 WeakPolarHBondContact CB-ND1 3.38Å; S245-H307 PolarHBondContact OG-ND1 3.49Å
246H98.6Very high97.8Very high36 Ų3645.9 Ų45.917%0.16727%0.272CS..EExtended strand (participates in β ladder)trans-110.1118168.3172.574.4000108.1I210 P248 F294 I298 F302 N305 L306I210-H246 HydrophobicContact CD1-CB 4.41Å; H246-P248 WeakPolarHBondContact NE2-CD 3.44Å; H246-P248 WeakPolarHBondContact NE2-CG 3.45Å; H246-F294 HydrophobicContact CB-CE2 4.41Å; H246-F294 HydrophobicContact CB-CZ 4.11Å; H246-I298 HydrophobicContact CB-CD1 3.47Å; H246-I298 VanDerWaalsContact CB-CD1 3.47Å; H246-I298 HydrophobicContact CB-CG1 4.14Å; H246-I298 VanDerWaalsContact CG-CD1 3.45Å; H246-F302 PolarHBondContact NE2-O 3.3Å; H246-N305 CarbonylContact O-C 3.59Å; H246-N305 WeakPolarHBondContact O-CA 3.49Å; H246-L306 PolarHBondContact N-O 3.26Å; H246-L306 PolarHBondContact O-N 3.35Å
247T98.1Very high97.9Very high88 Ų8837.6 Ų37.654%0.5423%0.233SC..  trans-132.478.4-174.756.60000109.8N305T247-N305 VanDerWaalsContact CA-OD1 3.26Å; T247-N305 WeakPolarHBondContact CA-OD1 3.06Å; T247-N305 WeakPolarHBondContact CB-OD1 3.34Å; T247-N305 HydrophobicContact CG2-CB 4.48Å
248P97.3Very high97.9Very high35 Ų3535.6 Ų35.623%0.22722%0.224CC..  trans-74.6153.1-176.933-34.1000110.9H246 G250 A251 K303 D304H246-P248 WeakPolarHBondContact NE2-CD 3.44Å; H246-P248 WeakPolarHBondContact NE2-CG 3.45Å; P248-G250 PolarHBondContact O-N 2.85Å; P248-A251 HydrophobicContact CG-CB 4.29Å; P248-A251 WeakPolarHBondContact O-CB 3.29Å; P248-A251 PolarHBondContact O-N 2.85Å; P248-K303 WeakPolarHBondContact CG-O 3.23Å; P248-D304 WeakPolarHBondContact CD-O 3.36Å
249D95.8Very high97.9Very high173 Ų17333.6 Ų33.693%0.92521%0.211SC*.THydrogen-bonded Turntrans-61.3135.9173.3-68.8-31.7000110.5
250G93.8Very high97.9Very high72 Ų7233.6 Ų33.674%0.74221%0.21SC*.THydrogen-bonded Turntrans83.16.3179.100000115.3P248 T252P248-G250 PolarHBondContact O-N 2.85Å; G250-T252 PolarHBondContact O-N 2.82Å
251A96.4Very high97.9Very high29 Ų2933.6 Ų33.624%0.2421%0.21CC..  trans-53.6135.5169.800000111.5P248 N305P248-A251 HydrophobicContact CG-CB 4.29Å; P248-A251 WeakPolarHBondContact O-CB 3.29Å; P248-A251 PolarHBondContact O-N 2.85Å; A251-N305 HydrophobicContact CB-CB 4.49Å; A251-N305 VanDerWaalsContact CB-OD1 3.31Å; A251-N305 WeakPolarHBondContact CB-OD1 3.44Å
252T94.6Very high97.9Very high118 Ų11833.6 Ų33.672%0.72421%0.21SC*.  trans-113-17.7-177.361.30000113.4G250 D304G250-T252 PolarHBondContact O-N 2.82Å; T252-D304 PolarHBondContact N-OD1 3.33Å; T252-D304 PolarHBondContact OG1-OD1 3.35Å; T252-D304 VanDerWaalsContact OG1-OD1 3.07Å
253Q95.9Very high97.9Very high86 Ų8633.6 Ų33.640%0.40221%0.21SC..  trans-127.7155.5175.7-62.1-174.915.600110.7D304 N305Q253-D304 HydrophobicContact CB-CB 4.35Å; Q253-D304 PolarHBondContact N-OD1 3.26Å; Q253-N305 PolarHBondContact O-N 2.95Å
254T98.6Very high97.9Very high21 Ų2136.5 Ų36.513%0.12922%0.221CC..EExtended strand (participates in β ladder)trans-116.9116.6171.8-53.70000111.1N305 L360 A362 D363 I364T254-N305 HydrophobicContact CG2-CB 4.01Å; T254-N305 PolarHBondContact OG1-ND2 3.32Å; T254-L360 WeakPolarHBondContact CG2-O 3.47Å; T254-A362 HydrophobicContact CG2-CB 4.39Å; T254-A362 CarbonylContact O-C 3.59Å; T254-A362 WeakPolarHBondContact O-CA 3.46Å; T254-D363 PolarHBondContact N-OD2 3.35Å; T254-D363 PolarHBondContact O-N 3.08Å; T254-I364 PolarHBondContact O-N 2.74Å
255I98.8Very high97.9Very high3 Ų336.7 Ų36.72%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-114.4135.2-175.1-59.7159.7000108.5F302 D304 N305 L306 H307 I364 F487I255-F302 HydrophobicContact CD1-CE1 4.07Å; I255-F302 HydrophobicContact CD1-CZ 3.76Å; I255-D304 HydrophobicContact CD1-CB 4.38Å; I255-N305 PolarHBondContact N-O 2.94Å; I255-L306 HydrophobicContact CB-CD1 3.96Å; I255-L306 HydrophobicContact CG2-CD1 3.68Å; I255-L306 CarbonylContact O-C 3.58Å; I255-L306 WeakPolarHBondContact O-CA 3.4Å; I255-H307 PolarHBondContact O-N 2.95Å; I255-I364 WeakPolarHBondContact CA-O 3.33Å; I255-I364 HydrophobicContact CG1-CB 4.25Å; I255-I364 HydrophobicContact CG1-CD1 4.15Å; I255-F487 HydrophobicContact CD1-CD1 3.97Å; I255-F487 HydrophobicContact CD1-CE1 4.16Å; I255-F487 HydrophobicContact CG1-CE1 4.43Å; I255-F487 HydrophobicContact CG2-CD1 4.17Å; I255-F487 HydrophobicContact CG2-CE1 3.59Å; I255-F487 HydrophobicContact CG2-CZ 4.04Å
256A98.9Very high97.9Very high0 Ų035.8 Ų35.80%022%0.215CC..EExtended strand (participates in β ladder)trans-123.1131.5172.600000111.4H307 A356 A362 I364 I365 L366A256-H307 CarbonylContact C-O 3.6Å; A256-H307 WeakPolarHBondContact CA-O 3.27Å; A256-H307 HydrophobicContact CB-CB 4.39Å; A256-A356 HydrophobicContact CB-CB 3.55Å; A256-A362 HydrophobicContact CB-CB 3.73Å; A256-I364 PolarHBondContact N-O 2.97Å; A256-I365 HydrophobicContact CB-CG1 4.44Å; A256-I365 WeakPolarHBondContact O-CA 3.5Å; A256-L366 PolarHBondContact O-N 2.78Å
257W98.9Very high97.9Very high0 Ų034.1 Ų34.10%021%0.207CC..EExtended strand (participates in β ladder)trans-106117.5169.2-63.5-14.8000109.5I290 A293 F294 T297 L306 H307 A308 V309 L366 L483 F487W257-I290 HydrophobicContact CB-CD1 3.97Å; W257-I290 HydrophobicContact CB-CG1 3.99Å; W257-I290 HydrophobicContact CB-CG2 3.84Å; W257-A293 HydrophobicContact CE3-CB 4.27Å; W257-A293 HydrophobicContact CH2-CB 4.44Å; W257-A293 HydrophobicContact CZ3-CB 3.73Å; W257-F294 HydrophobicContact CZ3-CB 4.4Å; W257-T297 HydrophobicContact CH2-CG2 4.11Å; W257-L306 HydrophobicContact CD2-CD1 3.82Å; W257-L306 HydrophobicContact CE3-CD1 4.25Å; W257-L306 HydrophobicContact CE3-CD2 4.22Å; W257-L306 HydrophobicContact CG-CD1 4.18Å; W257-L306 HydrophobicContact CH2-CD1 4.41Å; W257-L306 HydrophobicContact CH2-CD2 3.73Å; W257-L306 HydrophobicContact CZ2-CD1 3.98Å; W257-L306 HydrophobicContact CZ2-CD2 4.06Å; W257-L306 HydrophobicContact CZ3-CD2 3.81Å; W257-H307 PolarHBondContact N-O 2.83Å; W257-A308 CarbonylContact O-C 3.59Å; W257-A308 WeakPolarHBondContact O-CA 3.48Å; W257-V309 PolarHBondContact O-N 2.8Å; W257-L366 CarbonylContact C-O 3.48Å; W257-L366 VanDerWaalsContact CA-O 3.26Å; W257-L366 WeakPolarHBondContact CA-O 3.16Å; W257-L483 HydrophobicContact CD2-CD1 4.15Å; W257-L483 HydrophobicContact CD2-CD2 4.41Å; W257-L483 HydrophobicContact CE3-CD1 4.03Å; W257-L483 HydrophobicContact CH2-CB 4.05Å; W257-L483 HydrophobicContact CZ2-CB 4.18Å; W257-L483 HydrophobicContact CZ3-CB 4.32Å; W257-L483 HydrophobicContact CZ3-CD1 4.36Å; W257-F487 AromaticContact CE2-CD2 3.7Å; W257-F487 AromaticContact CE2-CE2 3.75Å; W257-F487 HydrophobicContact CZ2-CB 4.01Å; W257-F487 AromaticContact CZ2-CD2 3.39Å; W257-F487 HydrophobicContact CZ2-CD2 3.39Å; W257-F487 AromaticContact CZ2-CE2 3.96Å; W257-F487 HydrophobicContact CZ2-CE2 3.96Å; W257-F487 AromaticContact CZ2-CG 3.75Å; W257-F487 HydrophobicContact CZ2-CG 3.75Å; W257-F487 AromaticContact NE1-CD2 3.5Å; W257-F487 AromaticContact NE1-CE1 4Å; W257-F487 AromaticContact NE1-CE2 3.08Å; W257-F487 AromaticContact NE1-CZ 3.37Å
258V99Very high97.9Very high0 Ų030 Ų300%018%0.182CC..EExtended strand (participates in β ladder)trans-111.3119.5-174.7-169.80000110.5I290 V309 L349 V353 A356 I365 L366 D367 M368V258-I290 VanDerWaalsContact O-CD1 3.25Å; V258-I290 WeakPolarHBondContact O-CD1 3.34Å; V258-V309 CarbonylContact C-O 3.5Å; V258-V309 WeakPolarHBondContact CA-O 3.35Å; V258-V309 HydrophobicContact CB-CB 4.46Å; V258-V309 HydrophobicContact CG1-CB 4.25Å; V258-V309 HydrophobicContact CG1-CG1 4.26Å; V258-V309 HydrophobicContact CG2-CB 4.17Å; V258-V309 HydrophobicContact CG2-CG2 4.45Å; V258-L349 HydrophobicContact CB-CD2 4.46Å; V258-L349 HydrophobicContact CG1-CD2 3.77Å; V258-V353 HydrophobicContact CB-CG1 4.28Å; V258-V353 HydrophobicContact CG1-CG1 4.33Å; V258-V353 HydrophobicContact CG2-CG1 4.18Å; V258-A356 HydrophobicContact CG2-CB 4.06Å; V258-I365 HydrophobicContact CG2-CG2 4.02Å; V258-L366 PolarHBondContact N-O 3.08Å; V258-D367 HydrophobicContact CB-CB 4.03Å; V258-D367 CarbonylContact O-C 3.53Å; V258-D367 WeakPolarHBondContact O-CA 3.47Å; V258-M368 PolarHBondContact O-N 3.1Å
259G98.9Very high98Very high0 Ų032 Ų320%019%0.191CC..EExtended strand (participates in β ladder)trans-111.5129.8-172.800000114.1G261 I290 V309 C311G259-G261 PolarHBondContact O-N 3.29Å; G259-I290 VanDerWaalsContact CA-CD1 3.42Å; G259-I290 VanDerWaalsContact N-CD1 3.32Å; G259-V309 PolarHBondContact N-O 2.91Å; G259-C311 PolarHBondContact O-N 3.47Å
260K98.9Very high98.1Very high3 Ų325.5 Ų25.51%0.01316%0.159CC..EExtended strand (participates in β ladder)trans-66.9116.8165.9178.8-172.5172.9-178.90108.9I262 D283 C284 A287 E344 V348 L349 M368 A369 T370 L371K260-I262 HydrophobicContact CD-CG1 4.22Å; K260-I262 HydrophobicContact CG-CG1 3.86Å; K260-D283 WeakPolarHBondContact CE-OD1 3.43Å; K260-D283 WeakPolarHBondContact CE-OD2 3.26Å; K260-D283 IonicContact NZ-OD1 3.49Å; K260-D283 PolarHBondContact NZ-OD1 3.27Å; K260-D283 IonicContact NZ-OD2 2.57Å; K260-D283 PolarHBondContact NZ-OD2 3.44Å; K260-C284 CarbonylContact O-C 3.52Å; K260-A287 WeakPolarHBondContact O-CB 3.37Å; K260-A287 PolarHBondContact O-N 2.78Å; K260-E344 VanDerWaalsContact CE-OE1 3.27Å; K260-E344 WeakPolarHBondContact CE-OE1 3.26Å; K260-E344 IonicContact NZ-OE1 2.72Å; K260-E344 PolarHBondContact NZ-OE1 3.21Å; K260-V348 HydrophobicContact CG-CG2 4.4Å; K260-L349 HydrophobicContact CB-CD1 4.15Å; K260-L349 HydrophobicContact CB-CD2 4.29Å; K260-L349 HydrophobicContact CB-CG 4.14Å; K260-M368 PolarHBondContact N-O 3.36Å; K260-A369 HydrophobicContact CB-CB 3.54Å; K260-A369 HydrophobicContact CD-CB 3.83Å; K260-A369 HydrophobicContact CG-CB 4.29Å; K260-T370 PolarHBondContact NZ-O 3.48Å; K260-L371 HydrophobicContact CD-CD1 4.45Å
261G98.9Very high98.3Very high0 Ų027.4 Ų27.40%015%0.151CC..EExtended strand (participates in β ladder)trans-116.350.1-179.400000112.7G259 V263 C311 L312 A313G259-G261 PolarHBondContact O-N 3.29Å; G261-V263 PolarHBondContact O-N 2.79Å; G261-V263 VanDerWaalsContact O-N 3.14Å; G261-C311 CarbonylContact C-O 3.49Å; G261-C311 WeakPolarHBondContact CA-O 3.4Å; G261-C311 PolarHBondContact N-O 3.29Å; G261-L312 WeakPolarHBondContact O-CA 3.48Å; G261-A313 PolarHBondContact O-N 3.14Å; G261-A313 VanDerWaalsContact O-N 3.16Å
262I98.9Very high98.4Very high0 Ų027.5 Ų27.50%015%0.146CC..EExtended strand (participates in β ladder)trans-76.8100.4174.7-58-57.1000109V231 K260 Y264 D265 D283 C284 A313 N315 E344 V348V231-I262 HydrophobicContact CG1-CD1 4.03Å; K260-I262 HydrophobicContact CD-CG1 4.22Å; K260-I262 HydrophobicContact CG-CG1 3.86Å; I262-Y264 WeakPolarHBondContact CG2-O 3.24Å; I262-Y264 PolarHBondContact O-N 2.86Å; I262-D265 HydrophobicContact CG2-CB 3.84Å; I262-D283 HydrophobicContact CB-CB 4.25Å; I262-D283 WeakPolarHBondContact CB-OD2 3.19Å; I262-D283 HydrophobicContact CG2-CB 4.37Å; I262-D283 WeakPolarHBondContact CG2-OD2 3.23Å; I262-D283 PolarHBondContact N-O 2.81Å; I262-D283 CarbonylContact O-C 3.49Å; I262-C284 WeakPolarHBondContact O-CB 3.23Å; I262-C284 PolarHBondContact O-N 3.09Å; I262-A313 CarbonylContact C-O 3.48Å; I262-A313 VanDerWaalsContact CA-O 3.23Å; I262-A313 WeakPolarHBondContact CA-O 3.17Å; I262-A313 HydrophobicContact CD1-CB 3.86Å; I262-N315 HydrophobicContact CG2-CB 4.32Å; I262-E344 HydrophobicContact CD1-CG 4.09Å; I262-E344 HydrophobicContact CG1-CG 4.09Å; I262-V348 HydrophobicContact CD1-CG1 4.04Å; I262-V348 HydrophobicContact CD1-CG2 4.11Å
263V98.8Very high98.5Very high1 Ų123.7 Ų23.71%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-67.8-26.2-172.1-63.60000112.9M192 T194 F197 G261 A313 E314M192-V263 WeakPolarHBondContact O-CB 3.39Å; T194-V263 HydrophobicContact CG2-CG1 4.25Å; T194-V263 HydrophobicContact CG2-CG2 3.92Å; F197-V263 HydrophobicContact CB-CG1 4.43Å; F197-V263 HydrophobicContact CD2-CG1 4.21Å; G261-V263 PolarHBondContact O-N 2.79Å; G261-V263 VanDerWaalsContact O-N 3.14Å; V263-A313 PolarHBondContact N-O 3.43Å; V263-E314 HydrophobicContact CG2-CB 3.67Å; V263-E314 HydrophobicContact CG2-CG 4.09Å
264Y98.9Very high98.5Very high63 Ų6329 Ų2925%0.24715%0.152CC..EExtended strand (participates in β ladder)trans-156.2141.3165-159.8-101000110.1C189 I262 T266 M277 K281 N315C189-Y264 HydrophobicContact CB-CD2 3.88Å; C189-Y264 HydrophobicContact CB-CG 4.11Å; I262-Y264 WeakPolarHBondContact CG2-O 3.24Å; I262-Y264 PolarHBondContact O-N 2.86Å; Y264-T266 HydrophobicContact CD1-CG2 3.91Å; Y264-T266 HydrophobicContact CE1-CG2 4Å; Y264-M277 HydrophobicContact CE1-CG 4.29Å; Y264-M277 HydrophobicContact CE1-SD 4.36Å; Y264-K281 HydrophobicContact CD2-CB 4.23Å; Y264-K281 HydrophobicContact CE2-CB 4.48Å; Y264-N315 PolarHBondContact O-N 3.02Å
265D98.8Very high98.4Very high3 Ų334 Ų342%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-119.9103.8-179.7-17518.9000111.3I262 G267 K272 M280 D283 N315I262-D265 HydrophobicContact CG2-CB 3.84Å; D265-G267 VanDerWaalsContact C-N 3.26Å; D265-G267 WeakPolarHBondContact OD1-CA 3.26Å; D265-G267 PolarHBondContact OD1-N 2.8Å; D265-K272 WeakPolarHBondContact O-CE 3.3Å; D265-K272 WeakPolarHBondContact OD2-CE 3.38Å; D265-K272 IonicContact OD2-NZ 3.39Å; D265-K272 PolarHBondContact OD2-NZ 3.04Å; D265-M280 HydrophobicContact CB-CB 4.1Å; D265-M280 HydrophobicContact CB-CG 4.35Å; D265-M280 HydrophobicContact CB-SD 4.33Å; D265-M280 VanDerWaalsContact O-CB 3.27Å; D265-M280 WeakPolarHBondContact O-CB 3.37Å; D265-M280 WeakPolarHBondContact O-CG 3.39Å; D265-D283 HydrophobicContact CB-CB 4.21Å; D265-D283 WeakPolarHBondContact CB-OD2 3.32Å; D265-N315 WeakPolarHBondContact OD1-CB 3.4Å; D265-N315 PolarHBondContact OD1-ND2 3.35Å
266T98.8Very high98.1Very high21 Ų2137.7 Ų37.713%0.12921%0.205CC..  trans-79.9-13.8171.867.40000112.2Y264 G268 K272 N315Y264-T266 HydrophobicContact CD1-CG2 3.91Å; Y264-T266 HydrophobicContact CE1-CG2 4Å; T266-G268 VanDerWaalsContact C-N 3.33Å; T266-G268 PolarHBondContact OG1-N 2.85Å; T266-G268 VanDerWaalsContact OG1-N 3.11Å; T266-K272 PolarHBondContact O-N 3.37Å; T266-N315 WeakPolarHBondContact CB-O 3.25Å; T266-N315 PolarHBondContact N-O 3.37Å; T266-N315 PolarHBondContact OG1-O 2.99Å
267G98.5Very high98.1Very high0 Ų039.7 Ų39.70%022%0.215CC..  trans84.1-1.3-163.800000115D265 S270 T341 D342D265-G267 VanDerWaalsContact C-N 3.26Å; D265-G267 WeakPolarHBondContact OD1-CA 3.26Å; D265-G267 PolarHBondContact OD1-N 2.8Å; G267-S270 CarbonylContact O-C 3.43Å; G267-S270 PolarHBondContact O-N 3.41Å; G267-T341 CarbonylContact O-C 3.26Å; G267-T341 VanDerWaalsContact O-C 3.26Å; G267-T341 PolarHBondContact O-OG1 2.92Å; G267-D342 WeakPolarHBondContact CA-OD1 3.48Å; G267-D342 PolarHBondContact O-N 2.86Å
268G98.6Very high98Very high1 Ų144 Ų441%0.0124%0.243CC..THydrogen-bonded Turntrans63.7-143-174.200000110.9T266 S270 I271 N315 V317T266-G268 VanDerWaalsContact C-N 3.33Å; T266-G268 PolarHBondContact OG1-N 2.85Å; T266-G268 VanDerWaalsContact OG1-N 3.11Å; G268-S270 VanDerWaalsContact C-N 3.25Å; G268-S270 PolarHBondContact O-N 3.04Å; G268-I271 WeakPolarHBondContact O-CA 3.24Å; G268-I271 PolarHBondContact O-N 3.49Å; G268-N315 PolarHBondContact N-ND2 2.89Å; G268-V317 WeakPolarHBondContact O-CG2 3.27Å
269L98.5Very high98Very high79 Ų7944.8 Ų44.841%0.41425%0.251SS..THydrogen-bonded Turntrans-68.4-24179.2-68.6178.5000113.3I271 V317 A321 T322 R323 T341L269-I271 PolarHBondContact O-N 2.91Å; L269-V317 HydrophobicContact CD2-CG1 4.13Å; L269-A321 HydrophobicContact CD1-CB 4.34Å; L269-A321 HydrophobicContact CG-CB 4.15Å; L269-T322 WeakPolarHBondContact CD1-O 3.46Å; L269-R323 HydrophobicContact CD1-CB 4.25Å; L269-R323 HydrophobicContact CD1-CG 3.65Å; L269-T341 PolarHBondContact N-OG1 3.45Å; L269-T341 VanDerWaalsContact N-OG1 3.07Å
270S98.1Very high98Very high35 Ų3547 Ų4725%0.24526%0.262CS..SBendtrans-77.455.6162-57.40000110.8G267 G268 K272 N340 T341G267-S270 CarbonylContact O-C 3.43Å; G267-S270 PolarHBondContact O-N 3.41Å; G268-S270 VanDerWaalsContact C-N 3.25Å; G268-S270 PolarHBondContact O-N 3.04Å; S270-K272 PolarHBondContact O-N 3.46Å; S270-N340 WeakPolarHBondContact CB-OD1 3.44Å; S270-N340 PolarHBondContact OG-OD1 2.89Å; S270-T341 VanDerWaalsContact CB-OG1 3.3Å; S270-T341 WeakPolarHBondContact CB-OG1 3.21Å; S270-T341 PolarHBondContact N-OG1 2.74Å; S270-T341 PolarHBondContact OG-N 3.34Å; S270-T341 VanDerWaalsContact OG-N 3.09Å; S270-T341 PolarHBondContact OG-OG1 3.37Å
271I98.4Very high97.9Very high112 Ų11249.2 Ų49.257%0.57427%0.272SS*.PPolyproline II helixtrans-57.2134.5-166.2-163.2168.8000113.3G268 L269 M277 V317G268-I271 WeakPolarHBondContact O-CA 3.24Å; G268-I271 PolarHBondContact O-N 3.49Å; L269-I271 PolarHBondContact O-N 2.91Å; I271-M277 HydrophobicContact CD1-CE 4.34Å; I271-M277 HydrophobicContact CG1-CE 3.92Å; I271-V317 HydrophobicContact CD1-CG2 4.42Å
272K98.3Very high97.9Very high32 Ų3250.7 Ų50.714%0.13928%0.277CS..PPolyproline II helixtrans-65144173.4-69.8-174.4-156.9-74.80111.1D265 T266 S270 M277 M280 D342D265-K272 WeakPolarHBondContact O-CE 3.3Å; D265-K272 WeakPolarHBondContact OD2-CE 3.38Å; D265-K272 IonicContact OD2-NZ 3.39Å; D265-K272 PolarHBondContact OD2-NZ 3.04Å; T266-K272 PolarHBondContact O-N 3.37Å; S270-K272 PolarHBondContact O-N 3.46Å; K272-M277 HydrophobicContact CB-CB 3.94Å; K272-M277 HydrophobicContact CB-CE 4.24Å; K272-M277 HydrophobicContact CB-CG 4.45Å; K272-M277 WeakPolarHBondContact O-CE 3.49Å; K272-M280 HydrophobicContact CD-CG 3.74Å; K272-M280 HydrophobicContact CD-SD 3.99Å; K272-M280 WeakPolarHBondContact CE-SD 3.23Å; K272-D342 WeakPolarHBondContact CE-OD1 3.27Å; K272-D342 IonicContact NZ-OD1 3.44Å; K272-D342 PolarHBondContact NZ-OD1 3.07Å; K272-D342 IonicContact NZ-OD2 3.92Å; K272-D342 PolarHBondContact NZ-OD2 2.97Å
273G97.3Very high97.9Very high38 Ų3851.1 Ų51.139%0.39228%0.279SS..PPolyproline II helixtrans-65.9163.3173.200000113.2T275 T276 M277G273-T275 PolarHBondContact O-N 3.41Å; G273-T276 PolarHBondContact N-OG1 3.02Å; G273-T276 VanDerWaalsContact N-OG1 3.11Å; G273-T276 PolarHBondContact O-N 3.01Å; G273-T276 PolarHBondContact O-OG1 3.15Å; G273-M277 PolarHBondContact O-N 3.13Å; G273-M277 VanDerWaalsContact O-N 3.12Å
274K96.6Very high97.9Very high198 Ų19851.1 Ų51.186%0.86128%0.279SS*.THydrogen-bonded Turntrans-51.1-32.5-177.4-177.3176.4179.1179.60114.4P278K274-P278 WeakPolarHBondContact O-CD 3.45Å; K274-P278 WeakPolarHBondContact O-CG 3.28Å
275T94.9Very high97.9Very high126 Ų12648.2 Ų48.277%0.77327%0.269SS*.THydrogen-bonded Turntrans-97.9-15.1-176.252.40000113.9G273G273-T275 PolarHBondContact O-N 3.41Å
276T93.4Very high97.9Very high80 Ų8048 Ų4849%0.49127%0.268SS..THydrogen-bonded Turntrans-99.6-19.1-178.757.10000112.8G273G273-T276 PolarHBondContact N-OG1 3.02Å; G273-T276 VanDerWaalsContact N-OG1 3.11Å; G273-T276 PolarHBondContact O-N 3.01Å; G273-T276 PolarHBondContact O-OG1 3.15Å
277M98.3Very high97.9Very high42 Ų4247 Ų4721%0.20726%0.262CS..SBendtrans-75.3-38.7174.1-165.3-172.9-65.200114.3Y264 I271 K272 G273 G279 M280Y264-M277 HydrophobicContact CE1-CG 4.29Å; Y264-M277 HydrophobicContact CE1-SD 4.36Å; I271-M277 HydrophobicContact CD1-CE 4.34Å; I271-M277 HydrophobicContact CG1-CE 3.92Å; K272-M277 HydrophobicContact CB-CB 3.94Å; K272-M277 HydrophobicContact CB-CE 4.24Å; K272-M277 HydrophobicContact CB-CG 4.45Å; K272-M277 WeakPolarHBondContact O-CE 3.49Å; G273-M277 PolarHBondContact O-N 3.13Å; G273-M277 VanDerWaalsContact O-N 3.12Å; M277-G279 PolarHBondContact O-N 2.84Å; M277-M280 WeakPolarHBondContact O-CB 3.31Å; M277-M280 WeakPolarHBondContact O-CG 3.5Å; M277-M280 PolarHBondContact O-N 2.85Å; M277-M280 VanDerWaalsContact O-N 3.08Å
278P98.1Very high97.9Very high90 Ų9047 Ų4758%0.58426%0.262SS*.THydrogen-bonded Turntrans-58.3125.8174.9-26.236.4000111.8K274K274-P278 WeakPolarHBondContact O-CD 3.45Å; K274-P278 WeakPolarHBondContact O-CG 3.28Å
279G97.6Very high98Very high17 Ų1747 Ų4718%0.17526%0.262CS..THydrogen-bonded Turntrans104.4-10.3-175.400000114.1M277 K281 R282M277-G279 PolarHBondContact O-N 2.84Å; G279-K281 PolarHBondContact O-N 2.9Å; G279-K281 VanDerWaalsContact O-N 3.12Å; G279-R282 WeakPolarHBondContact O-CB 3.47Å; G279-R282 WeakPolarHBondContact O-CD 3.24Å; G279-R282 WeakPolarHBondContact O-CG 3.23Å; G279-R282 PolarHBondContact O-N 2.91Å
280M98.5Very high98Very high46 Ų4643.3 Ų43.323%0.22724%0.242CC..G310 helixtrans-69.8-5.1-179.1-67.1-61.598.900115.4D265 K272 M277 R282 D283D265-M280 HydrophobicContact CB-CB 4.1Å; D265-M280 HydrophobicContact CB-CG 4.35Å; D265-M280 HydrophobicContact CB-SD 4.33Å; D265-M280 VanDerWaalsContact O-CB 3.27Å; D265-M280 WeakPolarHBondContact O-CB 3.37Å; D265-M280 WeakPolarHBondContact O-CG 3.39Å; K272-M280 HydrophobicContact CD-CG 3.74Å; K272-M280 HydrophobicContact CD-SD 3.99Å; K272-M280 WeakPolarHBondContact CE-SD 3.23Å; M277-M280 WeakPolarHBondContact O-CB 3.31Å; M277-M280 WeakPolarHBondContact O-CG 3.5Å; M277-M280 PolarHBondContact O-N 2.85Å; M277-M280 VanDerWaalsContact O-N 3.08Å; M280-R282 PolarHBondContact O-N 2.85Å; M280-R282 VanDerWaalsContact O-N 3.16Å; M280-D283 VanDerWaalsContact O-CB 3.22Å; M280-D283 WeakPolarHBondContact O-CB 3.19Å; M280-D283 PolarHBondContact O-N 3.23Å; M280-D283 VanDerWaalsContact O-N 3.13Å
281K98.6Very high98Very high50 Ų5041.6 Ų41.622%0.21723%0.23CC..G310 helixtrans-57.6-22.516168.6175.7-175.3178.90112.8D186 Y264 G279 D283 C284D186-K281 WeakPolarHBondContact O-CE 3.34Å; D186-K281 PolarHBondContact O-NZ 3.35Å; Y264-K281 HydrophobicContact CD2-CB 4.23Å; Y264-K281 HydrophobicContact CE2-CB 4.48Å; G279-K281 PolarHBondContact O-N 2.9Å; G279-K281 VanDerWaalsContact O-N 3.12Å; K281-D283 PolarHBondContact O-N 2.94Å; K281-C284 PolarHBondContact O-SG 2.66Å; K281-C284 VanDerWaalsContact O-SG 3.42Å
282R98.6Very high98Very high30 Ų3036.3 Ų36.311%0.11320%0.203CC..G310 helixtrans-77.6-5.5-179.3-58.8168.8-176.8145.67112.4V185 G279 M280 C284 G285 V469 H470 E473V185-R282 HydrophobicContact CG1-CB 3.79Å; V185-R282 HydrophobicContact CG1-CG 3.74Å; G279-R282 WeakPolarHBondContact O-CB 3.47Å; G279-R282 WeakPolarHBondContact O-CD 3.24Å; G279-R282 WeakPolarHBondContact O-CG 3.23Å; G279-R282 PolarHBondContact O-N 2.91Å; M280-R282 PolarHBondContact O-N 2.85Å; M280-R282 VanDerWaalsContact O-N 3.16Å; R282-C284 PolarHBondContact O-N 3.34Å; R282-C284 VanDerWaalsContact O-N 3.12Å; R282-G285 PolarHBondContact O-N 2.9Å; R282-V469 HydrophobicContact CB-CG1 4.35Å; R282-H470 PolarHBondContact NH1-ND1 2.97Å; R282-E473 IonicContact NH2-OE2 2.81Å
283D98.8Very high98.1Very high9 Ų934.8 Ų34.85%0.04820%0.196CC..G310 helixtrans-76.51.7-170.2-155.838.7000114.6K260 I262 D265 M280 K281 T370K260-D283 WeakPolarHBondContact CE-OD1 3.43Å; K260-D283 WeakPolarHBondContact CE-OD2 3.26Å; K260-D283 IonicContact NZ-OD1 3.49Å; K260-D283 PolarHBondContact NZ-OD1 3.27Å; K260-D283 IonicContact NZ-OD2 2.57Å; K260-D283 PolarHBondContact NZ-OD2 3.44Å; I262-D283 HydrophobicContact CB-CB 4.25Å; I262-D283 WeakPolarHBondContact CB-OD2 3.19Å; I262-D283 HydrophobicContact CG2-CB 4.37Å; I262-D283 WeakPolarHBondContact CG2-OD2 3.23Å; I262-D283 PolarHBondContact N-O 2.81Å; I262-D283 CarbonylContact O-C 3.49Å; D265-D283 HydrophobicContact CB-CB 4.21Å; D265-D283 WeakPolarHBondContact CB-OD2 3.32Å; M280-D283 VanDerWaalsContact O-CB 3.22Å; M280-D283 WeakPolarHBondContact O-CB 3.19Å; M280-D283 PolarHBondContact O-N 3.23Å; M280-D283 VanDerWaalsContact O-N 3.13Å; K281-D283 PolarHBondContact O-N 2.94Å; D283-T370 VanDerWaalsContact CA-OG1 3.27Å; D283-T370 WeakPolarHBondContact CA-OG1 3.34Å; D283-T370 PolarHBondContact O-OG1 2.75Å; D283-T370 WeakPolarHBondContact OD1-CB 3.41Å; D283-T370 PolarHBondContact OD1-OG1 2.94Å
284C98.8Very high98.2Very high1 Ų133 Ų331%0.00718%0.178CC..G310 helixtrans-9711168.263.60000112.7F197 K260 I262 K281 R282 G286 A287 A288F197-C284 HydrophobicContact CD2-CB 4.32Å; F197-C284 HydrophobicContact CE2-CB 3.87Å; K260-C284 CarbonylContact O-C 3.52Å; I262-C284 WeakPolarHBondContact O-CB 3.23Å; I262-C284 PolarHBondContact O-N 3.09Å; K281-C284 PolarHBondContact O-SG 2.66Å; K281-C284 VanDerWaalsContact O-SG 3.42Å; R282-C284 PolarHBondContact O-N 3.34Å; R282-C284 VanDerWaalsContact O-N 3.12Å; C284-G286 VanDerWaalsContact C-N 3.29Å; C284-G286 PolarHBondContact O-N 3.24Å; C284-A287 PolarHBondContact O-N 3.15Å; C284-A288 WeakPolarHBondContact O-CB 3.35Å; C284-A288 PolarHBondContact O-N 3.16Å
285G98.9Very high98.3Very high2 Ų224.9 Ų24.92%0.02114%0.143CC..Hα-helixtrans-58.9-35.5-17400000114.6R282 A288 A289R282-G285 PolarHBondContact O-N 2.9Å; G285-A288 PolarHBondContact O-N 3.12Å; G285-A289 VanDerWaalsContact O-CB 3.27Å; G285-A289 WeakPolarHBondContact O-CB 3.34Å; G285-A289 PolarHBondContact O-N 3.22Å
286G98.9Very high98.4Very high0 Ų019 Ų190%011%0.106CC..Hα-helixtrans-65.2-49.817700000112.5C284 A288 A289 I290 M368C284-G286 VanDerWaalsContact C-N 3.29Å; C284-G286 PolarHBondContact O-N 3.24Å; G286-A288 VanDerWaalsContact C-N 3.35Å; G286-A288 PolarHBondContact O-N 3.01Å; G286-A289 PolarHBondContact O-N 3.14Å; G286-I290 PolarHBondContact O-N 2.94Å; G286-M368 VanDerWaalsContact CA-O 3.31Å; G286-M368 WeakPolarHBondContact CA-O 3.46Å
287A98.9Very high98.7Very high0 Ų015.3 Ų15.30%08%0.084CC..Hα-helixtrans-61.6-4117400000112.3F197 K260 C284 I290 L291 F310 L312F197-A287 HydrophobicContact CE1-CB 4.25Å; F197-A287 HydrophobicContact CE2-CB 4.18Å; F197-A287 HydrophobicContact CZ-CB 3.62Å; K260-A287 WeakPolarHBondContact O-CB 3.37Å; K260-A287 PolarHBondContact O-N 2.78Å; C284-A287 PolarHBondContact O-N 3.15Å; A287-I290 PolarHBondContact O-N 2.77Å; A287-L291 WeakPolarHBondContact O-CB 3.32Å; A287-L291 PolarHBondContact O-N 2.98Å; A287-F310 HydrophobicContact CB-CD1 4.09Å; A287-L312 HydrophobicContact CB-CD2 4.48Å
288A98.9Very high98.7Very high0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-65.2-40.8178.900000112.1A181 I184 V185 F197 C284 G285 G286 L291 G292A181-A288 HydrophobicContact CB-CB 4.41Å; A181-A288 WeakPolarHBondContact CB-O 3.33Å; I184-A288 HydrophobicContact CB-CB 4Å; I184-A288 HydrophobicContact CD1-CB 4.39Å; I184-A288 HydrophobicContact CG2-CB 3.81Å; V185-A288 HydrophobicContact CG2-CB 3.8Å; F197-A288 HydrophobicContact CZ-CB 4.37Å; C284-A288 WeakPolarHBondContact O-CB 3.35Å; C284-A288 PolarHBondContact O-N 3.16Å; G285-A288 PolarHBondContact O-N 3.12Å; G286-A288 VanDerWaalsContact C-N 3.35Å; G286-A288 PolarHBondContact O-N 3.01Å; A288-L291 PolarHBondContact O-N 2.83Å; A288-G292 PolarHBondContact O-N 2.86Å
289A98.9Very high98.6Very high1 Ų113 Ų131%0.0086%0.064CC..Hα-helixtrans-62.5-45.6174.900000111.6G285 G286 G292 A293 M368 F478G285-A289 VanDerWaalsContact O-CB 3.27Å; G285-A289 WeakPolarHBondContact O-CB 3.34Å; G285-A289 PolarHBondContact O-N 3.22Å; G286-A289 PolarHBondContact O-N 3.14Å; A289-G292 PolarHBondContact O-N 2.98Å; A289-A293 VanDerWaalsContact O-CB 3.24Å; A289-A293 WeakPolarHBondContact O-CB 3.38Å; A289-A293 PolarHBondContact O-N 3.36Å; A289-M368 HydrophobicContact CB-SD 3.5Å; A289-M368 WeakPolarHBondContact CB-SD 3.13Å; A289-F478 VanDerWaalsContact CB-O 3.23Å; A289-F478 WeakPolarHBondContact CB-O 3.22Å
290I98.9Very high98.6Very high0 Ų012.9 Ų12.90%06%0.059CC..Hα-helixtrans-63.9-42.2177.4-75.3167.8000111.4W257 V258 G259 G286 A287 G292 A293 F294 A308 F310 M368 L483W257-I290 HydrophobicContact CB-CD1 3.97Å; W257-I290 HydrophobicContact CB-CG1 3.99Å; W257-I290 HydrophobicContact CB-CG2 3.84Å; V258-I290 VanDerWaalsContact O-CD1 3.25Å; V258-I290 WeakPolarHBondContact O-CD1 3.34Å; G259-I290 VanDerWaalsContact CA-CD1 3.42Å; G259-I290 VanDerWaalsContact N-CD1 3.32Å; G286-I290 PolarHBondContact O-N 2.94Å; A287-I290 PolarHBondContact O-N 2.77Å; I290-G292 PolarHBondContact O-N 2.9Å; I290-A293 PolarHBondContact O-N 3.45Å; I290-F294 WeakPolarHBondContact O-CB 3.49Å; I290-F294 PolarHBondContact O-N 3.11Å; I290-A308 HydrophobicContact CG2-CB 3.69Å; I290-F310 HydrophobicContact CB-CE1 4.37Å; I290-F310 HydrophobicContact CG2-CE1 3.85Å; I290-F310 HydrophobicContact CG2-CZ 4.3Å; I290-M368 HydrophobicContact CD1-CB 4.05Å; I290-M368 HydrophobicContact CG1-CB 4.49Å; I290-L483 HydrophobicContact CG1-CD1 3.94Å
291L98.9Very high98.5Very high0 Ų011.8 Ų11.80%06%0.06CC..Hα-helixtrans-61.9-46.4177.7-175.961.3000111.5L180 I184 F197 E200 I201 V204 L244 A287 A288 K295 F310L180-L291 HydrophobicContact CD2-CG 4.49Å; I184-L291 HydrophobicContact CD1-CD2 3.86Å; F197-L291 HydrophobicContact CE1-CD2 4.18Å; E200-L291 HydrophobicContact CB-CD2 4.09Å; I201-L291 HydrophobicContact CG1-CD1 4.2Å; I201-L291 HydrophobicContact CG1-CD2 4.2Å; V204-L291 HydrophobicContact CB-CD1 3.79Å; V204-L291 HydrophobicContact CG1-CD1 3.87Å; V204-L291 HydrophobicContact CG2-CD1 3.79Å; V204-L291 HydrophobicContact CG2-CD2 4.22Å; V204-L291 HydrophobicContact CG2-CG 3.96Å; L244-L291 HydrophobicContact CD1-CD1 4Å; A287-L291 WeakPolarHBondContact O-CB 3.32Å; A287-L291 PolarHBondContact O-N 2.98Å; A288-L291 PolarHBondContact O-N 2.83Å; L291-K295 WeakPolarHBondContact O-CB 3.22Å; L291-K295 PolarHBondContact O-N 2.85Å; L291-K295 VanDerWaalsContact O-N 3.08Å; L291-F310 HydrophobicContact CB-CE1 3.73Å; L291-F310 HydrophobicContact CB-CZ 4.07Å; L291-F310 HydrophobicContact CD1-CE1 4.22Å; L291-F310 HydrophobicContact CD1-CE2 4.47Å; L291-F310 HydrophobicContact CD1-CZ 3.71Å; L291-F310 HydrophobicContact CG-CZ 4.49Å
292G98.9Very high98.4Very high0 Ų09.7 Ų9.70%05%0.05CC..Hα-helixtrans-63.9-42.3176.700000112.9A288 A289 I290 A296A288-G292 PolarHBondContact O-N 2.86Å; A289-G292 PolarHBondContact O-N 2.98Å; I290-G292 PolarHBondContact O-N 2.9Å; G292-A296 WeakPolarHBondContact O-CB 3.45Å; G292-A296 PolarHBondContact O-N 2.96Å; G292-A296 VanDerWaalsContact O-N 3.15Å
293A98.9Very high98.3Very high0 Ų012.7 Ų12.70%06%0.064CC..Hα-helixtrans-65.5-47177.100000112W257 A289 I290 K295 A296 T297 L483W257-A293 HydrophobicContact CE3-CB 4.27Å; W257-A293 HydrophobicContact CH2-CB 4.44Å; W257-A293 HydrophobicContact CZ3-CB 3.73Å; A289-A293 VanDerWaalsContact O-CB 3.24Å; A289-A293 WeakPolarHBondContact O-CB 3.38Å; A289-A293 PolarHBondContact O-N 3.36Å; I290-A293 PolarHBondContact O-N 3.45Å; A293-K295 PolarHBondContact O-N 3.27Å; A293-A296 PolarHBondContact O-N 3.45Å; A293-T297 WeakPolarHBondContact O-CB 3.33Å; A293-T297 PolarHBondContact O-N 3.49Å; A293-T297 PolarHBondContact O-OG1 2.91Å; A293-L483 HydrophobicContact CB-CB 3.75Å; A293-L483 HydrophobicContact CB-CD1 3.58Å; A293-L483 HydrophobicContact CB-CG 4.28Å
294F98.9Very high98.3Very high0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-59.4-50.3-179.5-175.6-94.7000109.9L208 I210 L244 H246 W257 I290 A296 T297 I298 L306 A308L208-F294 HydrophobicContact CD1-CD1 3.84Å; L208-F294 HydrophobicContact CD1-CE1 3.7Å; I210-F294 HydrophobicContact CD1-CE1 3.79Å; I210-F294 HydrophobicContact CD1-CZ 3.9Å; L244-F294 HydrophobicContact CB-CD1 4.23Å; L244-F294 HydrophobicContact CB-CE1 3.65Å; L244-F294 HydrophobicContact CB-CZ 3.88Å; L244-F294 HydrophobicContact CD1-CD1 4.01Å; L244-F294 HydrophobicContact CD1-CE1 4.05Å; L244-F294 HydrophobicContact CG-CE1 4.46Å; H246-F294 HydrophobicContact CB-CE2 4.41Å; H246-F294 HydrophobicContact CB-CZ 4.11Å; W257-F294 HydrophobicContact CZ3-CB 4.4Å; I290-F294 WeakPolarHBondContact O-CB 3.49Å; I290-F294 PolarHBondContact O-N 3.11Å; F294-A296 VanDerWaalsContact C-N 3.34Å; F294-A296 PolarHBondContact O-N 2.98Å; F294-T297 PolarHBondContact O-N 3.36Å; F294-I298 HydrophobicContact CD1-CG1 4.12Å; F294-I298 HydrophobicContact CD2-CD1 4.49Å; F294-I298 HydrophobicContact CD2-CG1 4.23Å; F294-I298 HydrophobicContact CE1-CG1 3.83Å; F294-I298 HydrophobicContact CE2-CD1 4.06Å; F294-I298 HydrophobicContact CE2-CG1 3.96Å; F294-I298 HydrophobicContact CG-CG1 4.31Å; F294-I298 HydrophobicContact CZ-CD1 4.2Å; F294-I298 HydrophobicContact CZ-CG1 3.75Å; F294-I298 WeakPolarHBondContact O-CG1 3.48Å; F294-I298 PolarHBondContact O-N 3.34Å; F294-L306 HydrophobicContact CD2-CD2 3.81Å; F294-L306 HydrophobicContact CD2-CG 3.92Å; F294-L306 HydrophobicContact CE2-CB 4.31Å; F294-L306 HydrophobicContact CE2-CD2 4.07Å; F294-L306 HydrophobicContact CE2-CG 3.87Å; F294-L306 WeakPolarHBondContact CE2-O 3.35Å; F294-A308 HydrophobicContact CB-CB 4.06Å; F294-A308 HydrophobicContact CD1-CB 4.47Å; F294-A308 HydrophobicContact CD2-CB 3.61Å; F294-A308 HydrophobicContact CE2-CB 4.15Å; F294-A308 HydrophobicContact CG-CB 3.79Å
295K98.8Very high98.2Very high29 Ų2914.8 Ų14.813%0.1268%0.075CC..Hα-helixtrans-52.2-50174.5176.8171.6166.6164.50112.8L180 V204 E207 L291 A293 K299L180-K295 HydrophobicContact CD2-CD 4.12Å; V204-K295 HydrophobicContact CG1-CB 3.79Å; V204-K295 HydrophobicContact CG1-CD 4.34Å; V204-K295 HydrophobicContact CG1-CG 4.27Å; V204-K295 HydrophobicContact CG2-CD 4.1Å; E207-K295 VanDerWaalsContact CD-NZ 3.31Å; E207-K295 WeakPolarHBondContact OE1-CE 3.19Å; E207-K295 IonicContact OE1-NZ 3.57Å; E207-K295 PolarHBondContact OE1-NZ 3.16Å; E207-K295 VanDerWaalsContact OE2-CE 3.23Å; E207-K295 WeakPolarHBondContact OE2-CE 3.34Å; E207-K295 IonicContact OE2-NZ 2.75Å; E207-K295 PolarHBondContact OE2-NZ 3.35Å; L291-K295 WeakPolarHBondContact O-CB 3.22Å; L291-K295 PolarHBondContact O-N 2.85Å; L291-K295 VanDerWaalsContact O-N 3.08Å; A293-K295 PolarHBondContact O-N 3.27Å; K295-K299 WeakPolarHBondContact O-CG 3.36Å
296A98.6Very high98.2Very high1 Ų114.7 Ų14.71%0.0087%0.074CC..Hα-helixtrans-69.7-38.5-176.800000112N173 G292 A293 F294 Q300 M484N173-A296 HydrophobicContact CB-CB 4.44Å; N173-A296 WeakPolarHBondContact O-CB 3.23Å; G292-A296 WeakPolarHBondContact O-CB 3.45Å; G292-A296 PolarHBondContact O-N 2.96Å; G292-A296 VanDerWaalsContact O-N 3.15Å; A293-A296 PolarHBondContact O-N 3.45Å; F294-A296 VanDerWaalsContact C-N 3.34Å; F294-A296 PolarHBondContact O-N 2.98Å; A296-Q300 WeakPolarHBondContact O-CG 3.46Å; A296-M484 HydrophobicContact CB-CE 3.69Å; A296-M484 HydrophobicContact CB-CG 4.35Å; A296-M484 HydrophobicContact CB-SD 3.41Å; A296-M484 WeakPolarHBondContact CB-SD 3.35Å
297T98.4Very high98.2Very high3 Ų315.3 Ų15.32%0.0188%0.077CC..Hα-helixtrans-70.5-47.1-176.5-57.80000112W257 A293 F294 K299 Q300 F302 L306W257-T297 HydrophobicContact CH2-CG2 4.11Å; A293-T297 WeakPolarHBondContact O-CB 3.33Å; A293-T297 PolarHBondContact O-N 3.49Å; A293-T297 PolarHBondContact O-OG1 2.91Å; F294-T297 PolarHBondContact O-N 3.36Å; T297-K299 PolarHBondContact O-N 3.34Å; T297-Q300 PolarHBondContact O-N 3.06Å; T297-F302 HydrophobicContact CG2-CB 4.17Å; T297-F302 HydrophobicContact CG2-CD2 3.27Å; T297-F302 HydrophobicContact CG2-CE2 3.85Å; T297-F302 HydrophobicContact CG2-CG 3.94Å; T297-L306 HydrophobicContact CG2-CD2 4.19Å
298I98.4Very high98.2Very high20 Ų2015.3 Ų15.310%0.1038%0.077CC..Hα-helixtrans-61.6-35.9180-62.3-43.5000111.4L208 H246 F294 Q300 G301 F302 L306L208-I298 HydrophobicContact CD1-CB 4.29Å; L208-I298 HydrophobicContact CD1-CG1 4.47Å; L208-I298 HydrophobicContact CD1-CG2 4.46Å; L208-I298 HydrophobicContact CD2-CB 4.21Å; L208-I298 HydrophobicContact CD2-CG2 4.11Å; H246-I298 HydrophobicContact CB-CD1 3.47Å; H246-I298 VanDerWaalsContact CB-CD1 3.47Å; H246-I298 HydrophobicContact CB-CG1 4.14Å; H246-I298 VanDerWaalsContact CG-CD1 3.45Å; F294-I298 HydrophobicContact CD1-CG1 4.12Å; F294-I298 HydrophobicContact CD2-CD1 4.49Å; F294-I298 HydrophobicContact CD2-CG1 4.23Å; F294-I298 HydrophobicContact CE1-CG1 3.83Å; F294-I298 HydrophobicContact CE2-CD1 4.06Å; F294-I298 HydrophobicContact CE2-CG1 3.96Å; F294-I298 HydrophobicContact CG-CG1 4.31Å; F294-I298 HydrophobicContact CZ-CD1 4.2Å; F294-I298 HydrophobicContact CZ-CG1 3.75Å; F294-I298 WeakPolarHBondContact O-CG1 3.48Å; F294-I298 PolarHBondContact O-N 3.34Å; I298-Q300 PolarHBondContact O-N 2.96Å; I298-Q300 VanDerWaalsContact O-N 3.16Å; I298-G301 PolarHBondContact O-N 3.45Å; I298-F302 HydrophobicContact CD1-CB 3.97Å; I298-L306 HydrophobicContact CD1-CB 4.41Å; I298-L306 HydrophobicContact CD1-CD2 3.95Å
299K97.4Very high98.3Very high64 Ų6415.3 Ų15.328%0.2788%0.077SC..THydrogen-bonded Turntrans-65.5-15.2176.1-73.8-175.7174.3-166.80114.6N173 E207 L208 K295 T297N173-K299 WeakPolarHBondContact ND2-CB 3.29Å; N173-K299 WeakPolarHBondContact OD1-CD 3.41Å; E207-K299 VanDerWaalsContact OE1-CE 3.23Å; E207-K299 WeakPolarHBondContact OE1-CE 3.47Å; E207-K299 IonicContact OE1-NZ 2.6Å; E207-K299 PolarHBondContact OE1-NZ 2.64Å; L208-K299 HydrophobicContact CD2-CG 3.92Å; K295-K299 WeakPolarHBondContact O-CG 3.36Å; T297-K299 PolarHBondContact O-N 3.34Å
300Q96.5Very high98.3Very high15 Ų1515.2 Ų15.27%0.078%0.077CC..THydrogen-bonded Turntrans-101.522.6177.2-58.6-50.190.300112.7N173 A296 T297 I298 S491 E492 D493 L496N173-Q300 PolarHBondContact ND2-OE1 2.96Å; A296-Q300 WeakPolarHBondContact O-CG 3.46Å; T297-Q300 PolarHBondContact O-N 3.06Å; I298-Q300 PolarHBondContact O-N 2.96Å; I298-Q300 VanDerWaalsContact O-N 3.16Å; Q300-S491 WeakPolarHBondContact CB-OG 3.4Å; Q300-S491 PolarHBondContact O-OG 2.89Å; Q300-E492 PolarHBondContact O-N 3.2Å; Q300-D493 HydrophobicContact CB-CB 4.13Å; Q300-D493 PolarHBondContact NE2-OD2 2.91Å; Q300-L496 HydrophobicContact CB-CD1 4.04Å; Q300-L496 HydrophobicContact CG-CD1 4.07Å
301G95.6Very high98.3Very high23 Ų2315.2 Ų15.224%0.2378%0.077CC..  trans65.862173.200000112I298 E492I298-G301 PolarHBondContact O-N 3.45Å; G301-E492 PolarHBondContact O-N 3.11Å
302F97.2Very high98.3Very high5 Ų515.2 Ų15.22%0.0228%0.077CC..BIsolated β-bridgetrans-69.5132.4174.9-161.2-99.3000110.4H246 I255 T297 I298 D304 L306 F487 A490H246-F302 PolarHBondContact NE2-O 3.3Å; I255-F302 HydrophobicContact CD1-CE1 4.07Å; I255-F302 HydrophobicContact CD1-CZ 3.76Å; T297-F302 HydrophobicContact CG2-CB 4.17Å; T297-F302 HydrophobicContact CG2-CD2 3.27Å; T297-F302 HydrophobicContact CG2-CE2 3.85Å; T297-F302 HydrophobicContact CG2-CG 3.94Å; I298-F302 HydrophobicContact CD1-CB 3.97Å; F302-D304 VanDerWaalsContact CD1-O 3.23Å; F302-D304 WeakPolarHBondContact CD1-O 3.38Å; F302-D304 HydrophobicContact CE1-CB 3.97Å; F302-L306 HydrophobicContact CD1-CB 3.78Å; F302-L306 HydrophobicContact CD1-CD2 4.24Å; F302-L306 HydrophobicContact CE1-CB 3.7Å; F302-L306 HydrophobicContact CE1-CD2 4.24Å; F302-L306 HydrophobicContact CE1-CG 4.38Å; F302-L306 HydrophobicContact CG-CD2 4.43Å; F302-L306 HydrophobicContact CZ-CD2 4.4Å; F302-F487 HydrophobicContact CE2-CB 4.01Å; F302-F487 HydrophobicContact CZ-CB 4.4Å; F302-A490 CarbonylContact C-O 3.56Å; F302-A490 WeakPolarHBondContact CA-O 3.46Å; F302-A490 HydrophobicContact CD2-CB 4.05Å; F302-A490 HydrophobicContact CE1-CB 4.25Å; F302-A490 HydrophobicContact CE2-CB 3.46Å; F302-A490 VanDerWaalsContact CE2-CB 3.46Å; F302-A490 HydrophobicContact CZ-CB 3.57Å
303K96.8Very high98.3Very high93 Ų9315.2 Ų15.240%0.4048%0.077SC..  trans-96.6-19.7-165.9-65167.7-179.8158.60114.7P248 A490 S491 E492P248-K303 WeakPolarHBondContact CG-O 3.23Å; K303-A490 WeakPolarHBondContact CB-O 3.26Å; K303-A490 WeakPolarHBondContact CG-O 3.32Å; K303-A490 PolarHBondContact N-O 2.79Å; K303-S491 WeakPolarHBondContact CE-O 3.33Å; K303-S491 PolarHBondContact NZ-O 3.44Å; K303-E492 VanDerWaalsContact CE-CG 3.43Å; K303-E492 HydrophobicContact CG-CG 4.38Å
304D97.6Very high98.3Very high20 Ų2016.9 Ų16.911%0.1079%0.085CC..SBendtrans-106.2173179.5-74.2-61.8000111.5P248 T252 Q253 I255 F302 L306P248-D304 WeakPolarHBondContact CD-O 3.36Å; T252-D304 PolarHBondContact N-OD1 3.33Å; T252-D304 PolarHBondContact OG1-OD1 3.35Å; T252-D304 VanDerWaalsContact OG1-OD1 3.07Å; Q253-D304 HydrophobicContact CB-CB 4.35Å; Q253-D304 PolarHBondContact N-OD1 3.26Å; I255-D304 HydrophobicContact CD1-CB 4.38Å; F302-D304 VanDerWaalsContact CD1-O 3.23Å; F302-D304 WeakPolarHBondContact CD1-O 3.38Å; F302-D304 HydrophobicContact CE1-CB 3.97Å; D304-L306 PolarHBondContact O-N 2.8Å
305N98.7Very high98.2Very high34 Ų3417.2 Ų17.218%0.1829%0.087CC..EExtended strand (participates in β ladder)trans-69129.8173.8-62.3-37.6000108.6H246 T247 A251 Q253 T254 I255H246-N305 CarbonylContact O-C 3.59Å; H246-N305 WeakPolarHBondContact O-CA 3.49Å; T247-N305 VanDerWaalsContact CA-OD1 3.26Å; T247-N305 WeakPolarHBondContact CA-OD1 3.06Å; T247-N305 WeakPolarHBondContact CB-OD1 3.34Å; T247-N305 HydrophobicContact CG2-CB 4.48Å; A251-N305 HydrophobicContact CB-CB 4.49Å; A251-N305 VanDerWaalsContact CB-OD1 3.31Å; A251-N305 WeakPolarHBondContact CB-OD1 3.44Å; Q253-N305 PolarHBondContact O-N 2.95Å; T254-N305 HydrophobicContact CG2-CB 4.01Å; T254-N305 PolarHBondContact OG1-ND2 3.32Å; I255-N305 PolarHBondContact N-O 2.94Å
306L98.9Very high98.2Very high0 Ų016.4 Ų16.40%08%0.084CC..EExtended strand (participates in β ladder)trans-130.6124.2175.8-17661000110.4H246 I255 W257 F294 T297 I298 F302 D304H246-L306 PolarHBondContact N-O 3.26Å; H246-L306 PolarHBondContact O-N 3.35Å; I255-L306 HydrophobicContact CB-CD1 3.96Å; I255-L306 HydrophobicContact CG2-CD1 3.68Å; I255-L306 CarbonylContact O-C 3.58Å; I255-L306 WeakPolarHBondContact O-CA 3.4Å; W257-L306 HydrophobicContact CD2-CD1 3.82Å; W257-L306 HydrophobicContact CE3-CD1 4.25Å; W257-L306 HydrophobicContact CE3-CD2 4.22Å; W257-L306 HydrophobicContact CG-CD1 4.18Å; W257-L306 HydrophobicContact CH2-CD1 4.41Å; W257-L306 HydrophobicContact CH2-CD2 3.73Å; W257-L306 HydrophobicContact CZ2-CD1 3.98Å; W257-L306 HydrophobicContact CZ2-CD2 4.06Å; W257-L306 HydrophobicContact CZ3-CD2 3.81Å; F294-L306 HydrophobicContact CD2-CD2 3.81Å; F294-L306 HydrophobicContact CD2-CG 3.92Å; F294-L306 HydrophobicContact CE2-CB 4.31Å; F294-L306 HydrophobicContact CE2-CD2 4.07Å; F294-L306 HydrophobicContact CE2-CG 3.87Å; F294-L306 WeakPolarHBondContact CE2-O 3.35Å; T297-L306 HydrophobicContact CG2-CD2 4.19Å; I298-L306 HydrophobicContact CD1-CB 4.41Å; I298-L306 HydrophobicContact CD1-CD2 3.95Å; F302-L306 HydrophobicContact CD1-CB 3.78Å; F302-L306 HydrophobicContact CD1-CD2 4.24Å; F302-L306 HydrophobicContact CE1-CB 3.7Å; F302-L306 HydrophobicContact CE1-CD2 4.24Å; F302-L306 HydrophobicContact CE1-CG 4.38Å; F302-L306 HydrophobicContact CG-CD2 4.43Å; F302-L306 HydrophobicContact CZ-CD2 4.4Å; D304-L306 PolarHBondContact O-N 2.8Å
307H98.9Very high98.2Very high13 Ų1320 Ų206%0.0611%0.106CC..EExtended strand (participates in β ladder)trans-114.4132175.4-55.3-81.3000110.5L244 S245 I255 A256 W257 L360L244-H307 CarbonylContact O-C 3.58Å; L244-H307 WeakPolarHBondContact O-CA 3.44Å; S245-H307 VanDerWaalsContact CB-ND1 3.29Å; S245-H307 WeakPolarHBondContact CB-ND1 3.38Å; S245-H307 PolarHBondContact OG-ND1 3.49Å; I255-H307 PolarHBondContact O-N 2.95Å; A256-H307 CarbonylContact C-O 3.6Å; A256-H307 WeakPolarHBondContact CA-O 3.27Å; A256-H307 HydrophobicContact CB-CB 4.39Å; W257-H307 PolarHBondContact N-O 2.83Å; H307-L360 HydrophobicContact CB-CD1 3.63Å
308A98.9Very high98.1Very high0 Ų020.9 Ų20.90%012%0.116CC..EExtended strand (participates in β ladder)trans-106.1112.3168.200000109.1V243 L244 W257 I290 F294 F310V243-A308 VanDerWaalsContact CA-O 3.29Å; V243-A308 WeakPolarHBondContact CA-O 3.27Å; L244-A308 HydrophobicContact CB-CB 4.42Å; L244-A308 PolarHBondContact N-O 3.38Å; L244-A308 PolarHBondContact O-N 2.82Å; W257-A308 CarbonylContact O-C 3.59Å; W257-A308 WeakPolarHBondContact O-CA 3.48Å; I290-A308 HydrophobicContact CG2-CB 3.69Å; F294-A308 HydrophobicContact CB-CB 4.06Å; F294-A308 HydrophobicContact CD1-CB 4.47Å; F294-A308 HydrophobicContact CD2-CB 3.61Å; F294-A308 HydrophobicContact CE2-CB 4.15Å; F294-A308 HydrophobicContact CG-CB 3.79Å; A308-F310 HydrophobicContact CB-CE1 4.35Å; A308-F310 HydrophobicContact CB-CE2 3.86Å; A308-F310 HydrophobicContact CB-CZ 3.58Å; A308-F310 WeakPolarHBondContact O-CE2 3.31Å
309V99Very high98.1Very high0 Ų025.9 Ų25.90%015%0.149CC..EExtended strand (participates in β ladder)trans-103.6125-179.8-176.30000109.1L241 A242 V243 W257 V258 G259 Y355 L360L241-V309 HydrophobicContact CD1-CG1 3.92Å; L241-V309 HydrophobicContact CD2-CG1 4.37Å; L241-V309 HydrophobicContact CG-CG1 4.12Å; A242-V309 CarbonylContact O-C 3.51Å; A242-V309 WeakPolarHBondContact O-CA 3.41Å; V243-V309 HydrophobicContact CG1-CG2 4.25Å; V243-V309 HydrophobicContact CG2-CG1 4.47Å; V243-V309 HydrophobicContact CG2-CG2 4.4Å; W257-V309 PolarHBondContact O-N 2.8Å; V258-V309 CarbonylContact C-O 3.5Å; V258-V309 WeakPolarHBondContact CA-O 3.35Å; V258-V309 HydrophobicContact CB-CB 4.46Å; V258-V309 HydrophobicContact CG1-CB 4.25Å; V258-V309 HydrophobicContact CG1-CG1 4.26Å; V258-V309 HydrophobicContact CG2-CB 4.17Å; V258-V309 HydrophobicContact CG2-CG2 4.45Å; G259-V309 PolarHBondContact N-O 2.91Å; V309-Y355 HydrophobicContact CG1-CD1 4.44Å; V309-Y355 HydrophobicContact CG2-CD1 4.48Å; V309-L360 HydrophobicContact CG2-CD1 3.8Å
310F98.9Very high98.1Very high0 Ų026.7 Ų26.70%016%0.16CC..EExtended strand (participates in β ladder)trans-114115.3-176.6-51.8-79.4000110.1F197 I201 L241 A242 L244 A287 I290 L291 A308 L312F197-F310 HydrophobicContact CE1-CD1 4.49Å; I201-F310 HydrophobicContact CD1-CB 3.81Å; I201-F310 HydrophobicContact CD1-CD1 4.21Å; I201-F310 HydrophobicContact CD1-CD2 3.5Å; I201-F310 VanDerWaalsContact CD1-CD2 3.5Å; I201-F310 HydrophobicContact CD1-CE2 4.1Å; I201-F310 HydrophobicContact CD1-CG 3.56Å; I201-F310 HydrophobicContact CG1-CD2 3.97Å; I201-F310 HydrophobicContact CG1-CE2 4.05Å; I201-F310 HydrophobicContact CG1-CG 4.25Å; I201-F310 HydrophobicContact CG1-CZ 4.38Å; I201-F310 HydrophobicContact CG2-CD2 4.23Å; I201-F310 HydrophobicContact CG2-CE2 4.04Å; L241-F310 WeakPolarHBondContact CA-O 3.41Å; A242-F310 HydrophobicContact CB-CB 4.37Å; A242-F310 HydrophobicContact CB-CD2 4.25Å; A242-F310 PolarHBondContact N-O 2.94Å; A242-F310 WeakPolarHBondContact O-CD2 3.4Å; A242-F310 PolarHBondContact O-N 3.48Å; L244-F310 HydrophobicContact CD1-CE2 4.06Å; L244-F310 HydrophobicContact CD1-CZ 4.3Å; L244-F310 HydrophobicContact CG-CE2 4.12Å; A287-F310 HydrophobicContact CB-CD1 4.09Å; I290-F310 HydrophobicContact CB-CE1 4.37Å; I290-F310 HydrophobicContact CG2-CE1 3.85Å; I290-F310 HydrophobicContact CG2-CZ 4.3Å; L291-F310 HydrophobicContact CB-CE1 3.73Å; L291-F310 HydrophobicContact CB-CZ 4.07Å; L291-F310 HydrophobicContact CD1-CE1 4.22Å; L291-F310 HydrophobicContact CD1-CE2 4.47Å; L291-F310 HydrophobicContact CD1-CZ 3.71Å; L291-F310 HydrophobicContact CG-CZ 4.49Å; A308-F310 HydrophobicContact CB-CE1 4.35Å; A308-F310 HydrophobicContact CB-CE2 3.86Å; A308-F310 HydrophobicContact CB-CZ 3.58Å; A308-F310 WeakPolarHBondContact O-CE2 3.31Å; F310-L312 HydrophobicContact CB-CD2 3.98Å; F310-L312 HydrophobicContact CB-CG 4.17Å; F310-L312 PolarHBondContact O-N 3.47Å
311C98.9Very high98.2Very high0 Ų026.1 Ų26.10%016%0.158CC..EExtended strand (participates in β ladder)trans-94.589.3177.8-55.70000109.5I228 G259 G261 V348I228-C311 HydrophobicContact CD1-CB 4.15Å; I228-C311 HydrophobicContact CG1-CB 4.47Å; G259-C311 PolarHBondContact O-N 3.47Å; G261-C311 CarbonylContact C-O 3.49Å; G261-C311 WeakPolarHBondContact CA-O 3.4Å; G261-C311 PolarHBondContact N-O 3.29Å; C311-V348 HydrophobicContact CB-CB 3.95Å; C311-V348 HydrophobicContact CB-CG2 3.9Å; C311-V348 PolarHBondContact SG-O 2.96Å
312L98.9Very high98.4Very high0 Ų025.7 Ų25.70%015%0.151CC..EExtended strand (participates in β ladder)trans-95.5125.9-171.5-51.8-177.8000111.8T194 F197 L198 I201 P239 A240 G261 A287 F310T194-L312 HydrophobicContact CG2-CB 4.25Å; F197-L312 HydrophobicContact CB-CD1 4.2Å; F197-L312 HydrophobicContact CB-CD2 4.48Å; F197-L312 HydrophobicContact CD1-CD1 4.2Å; F197-L312 HydrophobicContact CD1-CD2 3.83Å; F197-L312 HydrophobicContact CD2-CD2 4.32Å; F197-L312 HydrophobicContact CE1-CD2 4.17Å; F197-L312 HydrophobicContact CG-CD1 4.39Å; F197-L312 HydrophobicContact CG-CD2 3.95Å; L198-L312 HydrophobicContact CD2-CD1 3.64Å; L198-L312 HydrophobicContact CG-CD1 3.77Å; I201-L312 HydrophobicContact CD1-CD1 3.94Å; P239-L312 CarbonylContact C-O 3.56Å; P239-L312 VanDerWaalsContact CA-O 3.26Å; P239-L312 WeakPolarHBondContact CA-O 3.19Å; P239-L312 WeakPolarHBondContact CB-O 3.42Å; A240-L312 HydrophobicContact CB-CB 4.46Å; A240-L312 PolarHBondContact N-O 2.86Å; A240-L312 WeakPolarHBondContact O-CA 3.4Å; A240-L312 WeakPolarHBondContact O-CB 3.47Å; A240-L312 PolarHBondContact O-N 2.85Å; G261-L312 WeakPolarHBondContact O-CA 3.48Å; A287-L312 HydrophobicContact CB-CD2 4.48Å; F310-L312 HydrophobicContact CB-CD2 3.98Å; F310-L312 HydrophobicContact CB-CG 4.17Å; F310-L312 PolarHBondContact O-N 3.47Å
313A98.9Very high98.4Very high0 Ų031.1 Ų31.10%017%0.171CC..EExtended strand (participates in β ladder)trans-155.7162.8171.200000110.3V231 P239 G261 I262 V263V231-A313 HydrophobicContact CG1-CB 4.03Å; P239-A313 HydrophobicContact CB-CB 4.04Å; G261-A313 PolarHBondContact O-N 3.14Å; G261-A313 VanDerWaalsContact O-N 3.16Å; I262-A313 CarbonylContact C-O 3.48Å; I262-A313 VanDerWaalsContact CA-O 3.23Å; I262-A313 WeakPolarHBondContact CA-O 3.17Å; I262-A313 HydrophobicContact CD1-CB 3.86Å; V263-A313 PolarHBondContact N-O 3.43Å
314E98.9Very high98.5Very high34 Ų3429 Ų2916%0.15917%0.167CC..EExtended strand (participates in β ladder)trans-111.6127.8161.1-171.6-168.2143.100107.5A235 V263 S316A235-E314 HydrophobicContact CB-CB 3.68Å; A235-E314 HydrophobicContact CB-CG 4.42Å; V263-E314 HydrophobicContact CG2-CB 3.67Å; V263-E314 HydrophobicContact CG2-CG 4.09Å; E314-S316 VanDerWaalsContact CG-OG 3.31Å; E314-S316 WeakPolarHBondContact CG-OG 3.31Å; E314-S316 PolarHBondContact O-N 3.38Å; E314-S316 PolarHBondContact OE1-OG 3.24Å
315N98.8Very high98.6Very high8 Ų834.1 Ų34.14%0.04319%0.194CC..EExtended strand (participates in β ladder)trans-87.787.5177.8-171.423000108.9V231 I262 Y264 D265 T266 G268 T341 E344V231-N315 HydrophobicContact CG1-CB 4.2Å; I262-N315 HydrophobicContact CG2-CB 4.32Å; Y264-N315 PolarHBondContact O-N 3.02Å; D265-N315 WeakPolarHBondContact OD1-CB 3.4Å; D265-N315 PolarHBondContact OD1-ND2 3.35Å; T266-N315 WeakPolarHBondContact CB-O 3.25Å; T266-N315 PolarHBondContact N-O 3.37Å; T266-N315 PolarHBondContact OG1-O 2.99Å; G268-N315 PolarHBondContact N-ND2 2.89Å; N315-T341 PolarHBondContact ND2-O 2.97Å; N315-E344 HydrophobicContact CB-CG 3.97Å
316S98.4Very high98.6Very high11 Ų1134.4 Ų34.48%0.07720%0.196CC..  trans-103.4162.5-172.5-48.20000112.7A235 E314A235-S316 WeakPolarHBondContact CB-OG 3.49Å; E314-S316 VanDerWaalsContact CG-OG 3.31Å; E314-S316 WeakPolarHBondContact CG-OG 3.31Å; E314-S316 PolarHBondContact O-N 3.38Å; E314-S316 PolarHBondContact OE1-OG 3.24Å
317V98.4Very high98.6Very high77 Ų7738.4 Ų38.447%0.46722%0.216SC..  trans-97.2128.6171.41770000109.3G268 L269 I271G268-V317 WeakPolarHBondContact O-CG2 3.27Å; L269-V317 HydrophobicContact CD2-CG1 4.13Å; I271-V317 HydrophobicContact CD1-CG2 4.42Å
318G96.8Very high98.6Very high22 Ų2238.7 Ų38.723%0.22722%0.217CC..SBendtrans-170.8174.1176.600000112.5T320 A321G318-T320 PolarHBondContact O-N 3.06Å; G318-T320 VanDerWaalsContact O-N 3.17Å; G318-A321 WeakPolarHBondContact O-CB 3.48Å; G318-A321 PolarHBondContact O-N 2.9Å
319P97.9Very high98.6Very high124 Ų12442.5 Ų42.581%0.80524%0.241SC*.THydrogen-bonded Turntrans-60-27.1-178.7-2434.3000114.1R323P319-R323 PolarHBondContact O-NH2 2.82Å
320T97.8Very high98.6Very high81 Ų8142.7 Ų42.750%0.49724%0.242SC..THydrogen-bonded Turntrans-94.81178.655.30000113.2K233 G318K233-T320 WeakPolarHBondContact CD-O 3.01Å; K233-T320 WeakPolarHBondContact CE-O 3.33Å; K233-T320 PolarHBondContact NZ-O 2.79Å; K233-T320 PolarHBondContact O-OG1 3.06Å; G318-T320 PolarHBondContact O-N 3.06Å; G318-T320 VanDerWaalsContact O-N 3.17Å
321A98.6Very high98.6Very high3 Ų344.8 Ų44.83%0.02525%0.25CS..PPolyproline II helixtrans-59.1145.818000000111.7A234 L269 G318A234-A321 HydrophobicContact CB-CB 3.81Å; L269-A321 HydrophobicContact CD1-CB 4.34Å; L269-A321 HydrophobicContact CG-CB 4.15Å; G318-A321 WeakPolarHBondContact O-CB 3.48Å; G318-A321 PolarHBondContact O-N 2.9Å
322T98.6Very high98.6Very high15 Ų1545.8 Ų45.89%0.09226%0.257CS..PPolyproline II helixtrans-59.1136.8169.6-67.20000109.4G230 K233 L269 D326 H328 I338 T341G230-T322 PolarHBondContact O-OG1 2.9Å; K233-T322 WeakPolarHBondContact CE-OG1 3.36Å; K233-T322 PolarHBondContact NZ-OG1 2.87Å; L269-T322 WeakPolarHBondContact CD1-O 3.46Å; T322-D326 WeakPolarHBondContact CA-OD2 3.37Å; T322-D326 HydrophobicContact CG2-CB 4.26Å; T322-H328 WeakPolarHBondContact CG2-NE2 3.48Å; T322-H328 PolarHBondContact OG1-CE1 2.73Å; T322-H328 PolarHBondContact OG1-NE2 3.43Å; T322-I338 HydrophobicContact CG2-CB 4.19Å; T322-I338 HydrophobicContact CG2-CG1 3.88Å; T322-I338 HydrophobicContact CG2-CG2 3.98Å; T322-T341 HydrophobicContact CG2-CG2 4.28Å; T322-T341 VanDerWaalsContact O-CG2 3.32Å; T322-T341 WeakPolarHBondContact O-CG2 3.28Å
323R98.8Very high98.5Very high118 Ų11848.2 Ų48.245%0.44528%0.283SS..PPolyproline II helixtrans-104150179.3-57.8176.2-171.2798.4109.8L269 P319 D325 D326L269-R323 HydrophobicContact CD1-CB 4.25Å; L269-R323 HydrophobicContact CD1-CG 3.65Å; P319-R323 PolarHBondContact O-NH2 2.82Å; R323-D325 PolarHBondContact O-N 3.05Å; R323-D326 PolarHBondContact N-OD2 3.22Å; R323-D326 IonicContact NH1-OD1 3.94Å; R323-D326 IonicContact NH1-OD2 3.92Å; R323-D326 WeakPolarHBondContact O-CB 3.39Å; R323-D326 PolarHBondContact O-N 3.27Å; R323-D326 VanDerWaalsContact O-N 3.1Å
324P98.7Very high98.5Very high49 Ų4951.5 Ų51.532%0.31830%0.297SS..THydrogen-bonded Turntrans-49.8138.7152.2-22.534.6000109.3D326 I338 T341P324-D326 VanDerWaalsContact C-N 3.34Å; P324-I338 CarbonylContact C-O 3.41Å; P324-I338 WeakPolarHBondContact CA-O 3.48Å; P324-T341 HydrophobicContact CG-CG2 4.4Å
325D98.7Very high98.5Very high127 Ų12751.7 Ų51.768%0.67930%0.3SS*.THydrogen-bonded Turntrans80.5-9.8-172.7-46.7-28.9000116R323 I338R323-D325 PolarHBondContact O-N 3.05Å; D325-I338 PolarHBondContact N-O 3.18Å
326D98.8Very high98.5Very high41 Ų4151.3 Ų51.322%0.21930%0.298CS..  trans-63.9142.5169.5-76.4-12.3000109.6T322 R323 P324 I338T322-D326 WeakPolarHBondContact CA-OD2 3.37Å; T322-D326 HydrophobicContact CG2-CB 4.26Å; R323-D326 PolarHBondContact N-OD2 3.22Å; R323-D326 IonicContact NH1-OD1 3.94Å; R323-D326 IonicContact NH1-OD2 3.92Å; R323-D326 WeakPolarHBondContact O-CB 3.39Å; R323-D326 PolarHBondContact O-N 3.27Å; R323-D326 VanDerWaalsContact O-N 3.1Å; P324-D326 VanDerWaalsContact C-N 3.34Å; D326-I338 WeakPolarHBondContact O-CG1 3.24Å; D326-I338 PolarHBondContact O-N 3.41Å
327I98.9Very high98.6Very high83 Ų8351.9 Ų51.943%0.42630%0.3SS..EExtended strand (participates in β ladder)trans-109.6120.9173.6-60.1174000109.2T335 V336 E337 V426 A427I327-T335 HydrophobicContact CG2-CG2 4.48Å; I327-V336 CarbonylContact C-O 3.59Å; I327-V336 WeakPolarHBondContact CA-O 3.45Å; I327-E337 HydrophobicContact CG1-CB 4.28Å; I327-V426 HydrophobicContact CD1-CB 4.28Å; I327-V426 HydrophobicContact CD1-CG2 3.83Å; I327-A427 HydrophobicContact CD1-CB 4.41Å; I327-A427 HydrophobicContact CG2-CB 4.07Å
328H98.8Very high98.6Very high19 Ų1948.2 Ų48.29%0.08828%0.278CS..EExtended strand (participates in β ladder)trans-100.5136.1177.5-71.9-112.3000110.4G226 G230 T322 L330 T335 V336 I338G226-H328 PolarHBondContact O-ND1 3.25Å; G230-H328 WeakPolarHBondContact CA-CE1 3.22Å; T322-H328 WeakPolarHBondContact CG2-NE2 3.48Å; T322-H328 PolarHBondContact OG1-CE1 2.73Å; T322-H328 PolarHBondContact OG1-NE2 3.43Å; H328-L330 HydrophobicContact CB-CD1 3.79Å; H328-T335 CarbonylContact O-C 3.56Å; H328-T335 VanDerWaalsContact O-CA 3.3Å; H328-T335 WeakPolarHBondContact O-CA 3.33Å; H328-V336 PolarHBondContact N-O 3.11Å; H328-V336 PolarHBondContact O-N 3.19Å; H328-I338 WeakPolarHBondContact CD2-CG1 3.42Å
329T98.9Very high98.7Very high81 Ų8149.7 Ų49.750%0.49728%0.28SS..EExtended strand (participates in β ladder)trans-92.2113.5163.5-53.80000108.3G226G226-T329 VanDerWaalsContact CA-O 3.28Å; G226-T329 WeakPolarHBondContact CA-O 3.48Å; G226-T329 PolarHBondContact N-O 3.48Å
330L98.8Very high98.7Very high3 Ų345.1 Ų45.12%0.01625%0.249CC..  trans-81.4169.3179.8-90.664000111.2G224 H328 S332 G333 K334 V336 L347 A350 D351 H451G224-L330 CarbonylContact O-C 3.58Å; H328-L330 HydrophobicContact CB-CD1 3.79Å; L330-S332 PolarHBondContact O-N 2.82Å; L330-S332 VanDerWaalsContact O-N 3.1Å; L330-G333 WeakPolarHBondContact O-CA 3.45Å; L330-G333 PolarHBondContact O-N 2.85Å; L330-K334 PolarHBondContact N-O 3.17Å; L330-V336 HydrophobicContact CD1-CB 4.16Å; L330-V336 HydrophobicContact CD1-CG2 3.8Å; L330-V336 HydrophobicContact CD2-CG2 4.14Å; L330-L347 HydrophobicContact CD1-CD2 4.49Å; L330-L347 HydrophobicContact CD2-CD2 4.41Å; L330-A350 HydrophobicContact CD2-CB 3.55Å; L330-D351 WeakPolarHBondContact CB-OD1 3.33Å; L330-D351 WeakPolarHBondContact CG-OD1 3.36Å; L330-H451 WeakPolarHBondContact CD2-CE1 3.36Å
331Y98.8Very high98.8Very high44 Ų4441.6 Ų41.617%0.17323%0.227CC..THydrogen-bonded Turntrans-61.2-22.5-179.1-168.3-117.9000113.5G224 F225 G333 D351 V354 Y355 K358 D359G224-Y331 WeakPolarHBondContact O-CA 3.33Å; G224-Y331 PolarHBondContact O-N 2.98Å; F225-Y331 HydrophobicContact CD1-CD1 4.47Å; F225-Y331 HydrophobicContact CD1-CD2 4.04Å; F225-Y331 AromaticContact CD1-CG 3.96Å; F225-Y331 HydrophobicContact CD1-CG 3.96Å; F225-Y331 HydrophobicContact CD2-CD2 4.1Å; F225-Y331 HydrophobicContact CD2-CE2 4.31Å; F225-Y331 AromaticContact CE1-CD1 3.95Å; F225-Y331 HydrophobicContact CE1-CD1 3.95Å; F225-Y331 AromaticContact CE1-CD2 3.9Å; F225-Y331 HydrophobicContact CE1-CD2 3.9Å; F225-Y331 HydrophobicContact CE1-CE1 4.17Å; F225-Y331 HydrophobicContact CE1-CE2 4.11Å; F225-Y331 AromaticContact CE1-CG 3.83Å; F225-Y331 HydrophobicContact CE1-CG 3.83Å; F225-Y331 AromaticContact CE2-CD2 3.98Å; F225-Y331 HydrophobicContact CE2-CD2 3.98Å; F225-Y331 AromaticContact CE2-CE2 3.76Å; F225-Y331 HydrophobicContact CE2-CE2 3.76Å; F225-Y331 HydrophobicContact CG-CD2 4.13Å; F225-Y331 HydrophobicContact CG-CG 4.46Å; F225-Y331 HydrophobicContact CZ-CD1 4.34Å; F225-Y331 AromaticContact CZ-CD2 3.87Å; F225-Y331 HydrophobicContact CZ-CD2 3.87Å; F225-Y331 HydrophobicContact CZ-CE1 4.15Å; F225-Y331 AromaticContact CZ-CE2 3.65Å; F225-Y331 HydrophobicContact CZ-CE2 3.65Å; F225-Y331 HydrophobicContact CZ-CG 4.22Å; F225-Y331 AromaticContact CZ-CZ 3.8Å; Y331-G333 PolarHBondContact O-N 3.49Å; Y331-D351 WeakPolarHBondContact CB-OD1 3.48Å; Y331-D351 PolarHBondContact N-OD1 2.68Å; Y331-V354 HydrophobicContact CD1-CB 4Å; Y331-V354 HydrophobicContact CD1-CG1 3.56Å; Y331-V354 HydrophobicContact CE1-CG1 4.17Å; Y331-V354 HydrophobicContact CG-CG1 4.41Å; Y331-Y355 HydrophobicContact CE1-CD2 4.13Å; Y331-K358 PolarHBondContact O-NZ 3.01Å; Y331-D359 VanDerWaalsContact CE1-OD2 3.23Å; Y331-D359 WeakPolarHBondContact CE1-OD2 3.21Å; Y331-D359 VanDerWaalsContact OH-CG 3.23Å; Y331-D359 PolarHBondContact OH-OD1 3.21Å; Y331-D359 VanDerWaalsContact OH-OD1 3.06Å; Y331-D359 PolarHBondContact OH-OD2 2.87Å
332S98.7Very high98.8Very high21 Ų2143.8 Ų43.815%0.14724%0.239CC..THydrogen-bonded Turntrans-59.2-27.5168.460.60000113.7L330 K334 K358 H451L330-S332 PolarHBondContact O-N 2.82Å; L330-S332 VanDerWaalsContact O-N 3.1Å; S332-K334 WeakPolarHBondContact OG-CB 3.05Å; S332-K334 PolarHBondContact OG-N 2.77Å; S332-K334 VanDerWaalsContact OG-N 3.08Å; S332-K358 PolarHBondContact O-NZ 3.25Å; S332-H451 PolarHBondContact OG-ND1 2.97Å
333G98.6Very high98.8Very high52 Ų5243.5 Ų43.554%0.53624%0.238SC..SBendtrans94.9-13-164.800000113.5L330 Y331L330-G333 WeakPolarHBondContact O-CA 3.45Å; L330-G333 PolarHBondContact O-N 2.85Å; Y331-G333 PolarHBondContact O-N 3.49Å
334K98.8Very high98.8Very high69 Ų6938.1 Ų38.130%0.322%0.217SC..  trans-73.7147.1177.4-59.7-173.5178.9-171.20111.7L330 S332 D428 M429 S450L330-K334 PolarHBondContact N-O 3.17Å; S332-K334 WeakPolarHBondContact OG-CB 3.05Å; S332-K334 PolarHBondContact OG-N 2.77Å; S332-K334 VanDerWaalsContact OG-N 3.08Å; K334-D428 WeakPolarHBondContact CA-OD2 3.49Å; K334-D428 HydrophobicContact CB-CB 4.44Å; K334-M429 HydrophobicContact CB-CE 4.44Å; K334-M429 HydrophobicContact CD-CE 3.67Å; K334-S450 PolarHBondContact NZ-O 3.08Å
335T98.9Very high98.8Very high38 Ų3835.8 Ų35.823%0.23320%0.202CC..EExtended strand (participates in β ladder)trans-95.5136176.656.20000111.2I327 H328 D428 M429I327-T335 HydrophobicContact CG2-CG2 4.48Å; H328-T335 CarbonylContact O-C 3.56Å; H328-T335 VanDerWaalsContact O-CA 3.3Å; H328-T335 WeakPolarHBondContact O-CA 3.33Å; T335-D428 PolarHBondContact N-OD2 2.88Å; T335-D428 WeakPolarHBondContact O-CB 3.3Å; T335-D428 PolarHBondContact O-N 3.19Å; T335-D428 VanDerWaalsContact O-N 3.15Å; T335-D428 PolarHBondContact OG1-N 3.1Å; T335-D428 PolarHBondContact OG1-OD2 2.85Å; T335-M429 PolarHBondContact O-N 2.67Å
336V98.9Very high98.8Very high0 Ų030.1 Ų30.10%017%0.172CC..EExtended strand (participates in β ladder)trans-128.8115.6-177.6-174.90000109.9I327 H328 L330 I338 L347 M429 N431 F447I327-V336 CarbonylContact C-O 3.59Å; I327-V336 WeakPolarHBondContact CA-O 3.45Å; H328-V336 PolarHBondContact N-O 3.11Å; H328-V336 PolarHBondContact O-N 3.19Å; L330-V336 HydrophobicContact CD1-CB 4.16Å; L330-V336 HydrophobicContact CD1-CG2 3.8Å; L330-V336 HydrophobicContact CD2-CG2 4.14Å; V336-I338 HydrophobicContact CG1-CD1 4.02Å; V336-L347 HydrophobicContact CG1-CD2 3.99Å; V336-M429 CarbonylContact C-O 3.54Å; V336-M429 VanDerWaalsContact CA-O 3.3Å; V336-M429 WeakPolarHBondContact CA-O 3.48Å; V336-M429 HydrophobicContact CB-CG 4.5Å; V336-M429 HydrophobicContact CG1-CG 4.31Å; V336-M429 HydrophobicContact CG2-CG 3.91Å; V336-M429 HydrophobicContact CG2-SD 4.39Å; V336-N431 HydrophobicContact CG1-CB 3.79Å; V336-F447 HydrophobicContact CG1-CE2 3.84Å; V336-F447 HydrophobicContact CG1-CZ 3.84Å; V336-F447 HydrophobicContact CG2-CE2 4.35Å; V336-F447 HydrophobicContact CG2-CZ 3.99Å
337E98.9Very high98.8Very high23 Ų2328.5 Ų28.511%0.10716%0.163CC..EExtended strand (participates in β ladder)trans-75.1118.8169.2-177.7-167.9169.300109.1I327 N339 S424 V426 A427 M429 K430 N431I327-E337 HydrophobicContact CG1-CB 4.28Å; E337-N339 PolarHBondContact O-N 2.86Å; E337-S424 VanDerWaalsContact OE2-CB 3.32Å; E337-S424 WeakPolarHBondContact OE2-CB 3.46Å; E337-S424 PolarHBondContact OE2-OG 3.2Å; E337-V426 HydrophobicContact CG-CG2 4.35Å; E337-A427 HydrophobicContact CB-CB 3.91Å; E337-M429 PolarHBondContact N-O 3.18Å; E337-K430 HydrophobicContact CB-CG 4.14Å; E337-K430 HydrophobicContact CG-CG 4.41Å; E337-K430 VanDerWaalsContact O-CA 3.24Å; E337-K430 WeakPolarHBondContact O-CA 3.46Å; E337-K430 VanDerWaalsContact OE1-CE 3.27Å; E337-K430 WeakPolarHBondContact OE1-CE 3.1Å; E337-K430 IonicContact OE1-NZ 3.72Å; E337-K430 WeakPolarHBondContact OE2-CE 3.38Å; E337-K430 IonicContact OE2-NZ 3.96Å; E337-N431 PolarHBondContact O-N 3Å
338I98.9Very high98.8Very high0 Ų024.5 Ų24.50%014%0.142CC..  trans-81.5111.9-179.5-53-54.2000108.1T322 P324 D325 D326 H328 V336 T341 L347 N431T322-I338 HydrophobicContact CG2-CB 4.19Å; T322-I338 HydrophobicContact CG2-CG1 3.88Å; T322-I338 HydrophobicContact CG2-CG2 3.98Å; P324-I338 CarbonylContact C-O 3.41Å; P324-I338 WeakPolarHBondContact CA-O 3.48Å; D325-I338 PolarHBondContact N-O 3.18Å; D326-I338 WeakPolarHBondContact O-CG1 3.24Å; D326-I338 PolarHBondContact O-N 3.41Å; H328-I338 WeakPolarHBondContact CD2-CG1 3.42Å; V336-I338 HydrophobicContact CG1-CD1 4.02Å; I338-T341 HydrophobicContact CG2-CG2 3.98Å; I338-L347 HydrophobicContact CD1-CD1 3.66Å; I338-L347 HydrophobicContact CD1-CD2 3.87Å; I338-L347 HydrophobicContact CD1-CG 4.43Å; I338-N431 WeakPolarHBondContact CA-OD1 3.5Å; I338-N431 HydrophobicContact CD1-CB 4.16Å
339N98.8Very high98.8Very high53 Ų5323.6 Ų23.628%0.28314%0.138SC..SBendtrans-104.5-8.6172.465.9-28.1000112.5E337 K430 N431 S432E337-N339 PolarHBondContact O-N 2.86Å; N339-K430 HydrophobicContact CB-CD 4.24Å; N339-N431 PolarHBondContact N-OD1 3.16Å; N339-N431 PolarHBondContact OD1-OD1 3.42Å; N339-S432 PolarHBondContact ND2-O 3.14Å; N339-S432 WeakPolarHBondContact OD1-CA 3.33Å; N339-S432 VanDerWaalsContact OD1-CB 3.28Å; N339-S432 WeakPolarHBondContact OD1-CB 3.44Å; N339-S432 PolarHBondContact OD1-N 3.35Å; N339-S432 PolarHBondContact OD1-O 3.23Å
340N98.7Very high98.8Very high28 Ų2819.8 Ų19.815%0.1511%0.114CC..  trans-152.2115.6175.1-177.11.1000111S270 D342 A343 N431S270-N340 WeakPolarHBondContact CB-OD1 3.44Å; S270-N340 PolarHBondContact OG-OD1 2.89Å; N340-D342 PolarHBondContact O-N 2.9Å; N340-D342 VanDerWaalsContact OD1-CB 3.26Å; N340-D342 WeakPolarHBondContact OD1-CB 3.44Å; N340-D342 PolarHBondContact OD1-N 2.83Å; N340-A343 HydrophobicContact CB-CB 4.37Å; N340-A343 PolarHBondContact O-N 2.88Å; N340-N431 PolarHBondContact N-OD1 3.37Å; N340-N431 PolarHBondContact O-ND2 2.9Å; N340-N431 PolarHBondContact O-OD1 2.86Å
341T98.8Very high98.8Very high6 Ų619.6 Ų19.64%0.03711%0.114CC..THydrogen-bonded Turntrans-77.3-8.8-178.763.90000113.4G267 L269 S270 N315 T322 P324 I338 A343G267-T341 CarbonylContact O-C 3.26Å; G267-T341 VanDerWaalsContact O-C 3.26Å; G267-T341 PolarHBondContact O-OG1 2.92Å; L269-T341 PolarHBondContact N-OG1 3.45Å; L269-T341 VanDerWaalsContact N-OG1 3.07Å; S270-T341 VanDerWaalsContact CB-OG1 3.3Å; S270-T341 WeakPolarHBondContact CB-OG1 3.21Å; S270-T341 PolarHBondContact N-OG1 2.74Å; S270-T341 PolarHBondContact OG-N 3.34Å; S270-T341 VanDerWaalsContact OG-N 3.09Å; S270-T341 PolarHBondContact OG-OG1 3.37Å; N315-T341 PolarHBondContact ND2-O 2.97Å; T322-T341 HydrophobicContact CG2-CG2 4.28Å; T322-T341 VanDerWaalsContact O-CG2 3.32Å; T322-T341 WeakPolarHBondContact O-CG2 3.28Å; P324-T341 HydrophobicContact CG-CG2 4.4Å; I338-T341 HydrophobicContact CG2-CG2 3.98Å; T341-A343 VanDerWaalsContact C-N 3.26Å
342D98.4Very high98.8Very high50 Ų5017.5 Ų17.527%0.26711%0.106SC..THydrogen-bonded Turntrans-87.65.2172.1-160.350.1000112.4G267 K272 N340 E344G267-D342 WeakPolarHBondContact CA-OD1 3.48Å; G267-D342 PolarHBondContact O-N 2.86Å; K272-D342 WeakPolarHBondContact CE-OD1 3.27Å; K272-D342 IonicContact NZ-OD1 3.44Å; K272-D342 PolarHBondContact NZ-OD1 3.07Å; K272-D342 IonicContact NZ-OD2 3.92Å; K272-D342 PolarHBondContact NZ-OD2 2.97Å; N340-D342 PolarHBondContact O-N 2.9Å; N340-D342 VanDerWaalsContact OD1-CB 3.26Å; N340-D342 WeakPolarHBondContact OD1-CB 3.44Å; N340-D342 PolarHBondContact OD1-N 2.83Å; D342-E344 WeakPolarHBondContact CA-OE2 3.49Å; D342-E344 VanDerWaalsContact O-OE2 3.06Å
343A98.5Very high98.8Very high8 Ų816.5 Ų16.57%0.06610%0.099CC..  trans-108.447.6169.200000109.6N340 T341 R346 N431N340-A343 HydrophobicContact CB-CB 4.37Å; N340-A343 PolarHBondContact O-N 2.88Å; T341-A343 VanDerWaalsContact C-N 3.26Å; A343-R346 WeakPolarHBondContact O-CG 3.3Å; A343-N431 WeakPolarHBondContact CB-ND2 3.38Å; A343-N431 PolarHBondContact O-ND2 2.92Å
344E98.8Very high98.8Very high5 Ų514.2 Ų14.22%0.0237%0.074CC..  trans-81.5-37.4-173.879.5-54.3126.800113.2V231 K260 I262 N315 D342 R346 L347 V348V231-E344 HydrophobicContact CB-CB 4.39Å; V231-E344 HydrophobicContact CG1-CB 3.71Å; V231-E344 HydrophobicContact CG1-CG 3.9Å; V231-E344 HydrophobicContact CG2-CB 3.72Å; K260-E344 VanDerWaalsContact CE-OE1 3.27Å; K260-E344 WeakPolarHBondContact CE-OE1 3.26Å; K260-E344 IonicContact NZ-OE1 2.72Å; K260-E344 PolarHBondContact NZ-OE1 3.21Å; I262-E344 HydrophobicContact CD1-CG 4.09Å; I262-E344 HydrophobicContact CG1-CG 4.09Å; N315-E344 HydrophobicContact CB-CG 3.97Å; D342-E344 WeakPolarHBondContact CA-OE2 3.49Å; D342-E344 VanDerWaalsContact O-OE2 3.06Å; E344-R346 PolarHBondContact O-N 3.26Å; E344-R346 VanDerWaalsContact O-N 3.15Å; E344-L347 WeakPolarHBondContact O-CA 3.42Å; E344-L347 VanDerWaalsContact O-CB 3.3Å; E344-L347 WeakPolarHBondContact O-CB 3.49Å; E344-L347 PolarHBondContact O-N 3.33Å; E344-V348 PolarHBondContact O-N 3.22Å
345G98.8Very high98.8Very high0 Ų011.7 Ų11.70%06%0.063CC..Hα-helixtrans-57.9-35.8-173.600000113.4V348 L349G345-V348 WeakPolarHBondContact O-CG2 3.24Å; G345-L349 WeakPolarHBondContact O-CB 3.45Å; G345-L349 VanDerWaalsContact O-CG 3.32Å; G345-L349 WeakPolarHBondContact O-CG 3.39Å; G345-L349 PolarHBondContact O-N 3.5Å
346R98.8Very high98.8Very high9 Ų99.9 Ų9.93%0.0345%0.052CC..Hα-helixtrans-73.7-27.3177.569.3-172.369.5-172.8-3.3112.7A343 E344 A350 L371 N431 F447 I448A343-R346 WeakPolarHBondContact O-CG 3.3Å; E344-R346 PolarHBondContact O-N 3.26Å; E344-R346 VanDerWaalsContact O-N 3.15Å; R346-A350 WeakPolarHBondContact O-CB 3.14Å; R346-A350 PolarHBondContact O-N 3.14Å; R346-L371 HydrophobicContact CB-CD1 4.23Å; R346-N431 WeakPolarHBondContact CD-O 3.45Å; R346-N431 PolarHBondContact NH1-O 3.33Å; R346-F447 HydrophobicContact CB-CD1 3.56Å; R346-F447 HydrophobicContact CB-CE1 4.12Å; R346-F447 HydrophobicContact CB-CG 4.28Å; R346-F447 HydrophobicContact CG-CD1 3.46Å; R346-F447 VanDerWaalsContact CG-CD1 3.46Å; R346-F447 HydrophobicContact CG-CE1 3.73Å; R346-F447 HydrophobicContact CG-CG 3.99Å; R346-F447 HydrophobicContact CG-CZ 4.45Å; R346-F447 WeakPolarHBondContact O-CE1 3.14Å; R346-I448 HydrophobicContact CB-CD1 4.28Å; R346-I448 HydrophobicContact CB-CG1 3.86Å
347L98.9Very high98.8Very high6 Ų611.3 Ų11.33%0.0316%0.061CC..Hα-helixtrans-69.7-45.8175-60.5170.3000110.2V231 L330 V336 I338 E344 L349 A350 D351 N431 F447V231-L347 HydrophobicContact CG2-CB 4.1Å; V231-L347 HydrophobicContact CG2-CD1 3.92Å; L330-L347 HydrophobicContact CD1-CD2 4.49Å; L330-L347 HydrophobicContact CD2-CD2 4.41Å; V336-L347 HydrophobicContact CG1-CD2 3.99Å; I338-L347 HydrophobicContact CD1-CD1 3.66Å; I338-L347 HydrophobicContact CD1-CD2 3.87Å; I338-L347 HydrophobicContact CD1-CG 4.43Å; E344-L347 WeakPolarHBondContact O-CA 3.42Å; E344-L347 VanDerWaalsContact O-CB 3.3Å; E344-L347 WeakPolarHBondContact O-CB 3.49Å; E344-L347 PolarHBondContact O-N 3.33Å; L347-L349 VanDerWaalsContact C-N 3.34Å; L347-A350 PolarHBondContact O-N 2.81Å; L347-D351 PolarHBondContact O-N 3.38Å; L347-N431 HydrophobicContact CD2-CB 3.89Å; L347-N431 HydrophobicContact CG-CB 4.44Å; L347-F447 HydrophobicContact CD2-CE1 4.03Å; L347-F447 HydrophobicContact CD2-CZ 3.64Å
348V98.9Very high98.8Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-69-35.8179.8-50.50000111.5I228 V231 K260 I262 C311 E344 G345 G352I228-V348 HydrophobicContact CG1-CB 3.85Å; I228-V348 HydrophobicContact CG1-CG1 4.34Å; V231-V348 HydrophobicContact CB-CG1 3.8Å; V231-V348 HydrophobicContact CG1-CG1 4.01Å; V231-V348 HydrophobicContact CG2-CG1 3.78Å; K260-V348 HydrophobicContact CG-CG2 4.4Å; I262-V348 HydrophobicContact CD1-CG1 4.04Å; I262-V348 HydrophobicContact CD1-CG2 4.11Å; C311-V348 HydrophobicContact CB-CB 3.95Å; C311-V348 HydrophobicContact CB-CG2 3.9Å; C311-V348 PolarHBondContact SG-O 2.96Å; E344-V348 PolarHBondContact O-N 3.22Å; G345-V348 WeakPolarHBondContact O-CG2 3.24Å; V348-G352 PolarHBondContact O-N 3.17Å
349L98.9Very high98.8Very high0 Ų018.9 Ų18.90%010%0.097CC..Hα-helixtrans-71.8-38.3176-78.5-179.2000113.1V258 K260 G345 L347 D351 G352 V353 D367 A369 I448V258-L349 HydrophobicContact CB-CD2 4.46Å; V258-L349 HydrophobicContact CG1-CD2 3.77Å; K260-L349 HydrophobicContact CB-CD1 4.15Å; K260-L349 HydrophobicContact CB-CD2 4.29Å; K260-L349 HydrophobicContact CB-CG 4.14Å; G345-L349 WeakPolarHBondContact O-CB 3.45Å; G345-L349 VanDerWaalsContact O-CG 3.32Å; G345-L349 WeakPolarHBondContact O-CG 3.39Å; G345-L349 PolarHBondContact O-N 3.5Å; L347-L349 VanDerWaalsContact C-N 3.34Å; L349-D351 VanDerWaalsContact C-N 3.28Å; L349-D351 PolarHBondContact O-N 2.84Å; L349-G352 CarbonylContact O-C 3.52Å; L349-G352 WeakPolarHBondContact O-CA 3.47Å; L349-G352 PolarHBondContact O-N 3.01Å; L349-V353 WeakPolarHBondContact O-CG2 3.21Å; L349-V353 PolarHBondContact O-N 3.31Å; L349-D367 HydrophobicContact CD2-CB 4.29Å; L349-A369 HydrophobicContact CD1-CB 3.67Å; L349-I448 HydrophobicContact CB-CD1 3.99Å; L349-I448 HydrophobicContact CB-CG1 4.15Å; L349-I448 HydrophobicContact CB-CG2 4.21Å; L349-I448 HydrophobicContact CD1-CD1 3.63Å
350A98.9Very high98.8Very high0 Ų017.6 Ų17.60%09%0.09CC..Hα-helixtrans-55.6-43.9175.800000112.1L330 R346 L347 V353 V354 F447 H451L330-A350 HydrophobicContact CD2-CB 3.55Å; R346-A350 WeakPolarHBondContact O-CB 3.14Å; R346-A350 PolarHBondContact O-N 3.14Å; L347-A350 PolarHBondContact O-N 2.81Å; A350-V353 WeakPolarHBondContact O-CG2 3.4Å; A350-V354 WeakPolarHBondContact O-CB 3.48Å; A350-V354 WeakPolarHBondContact O-CG2 3.25Å; A350-V354 PolarHBondContact O-N 3.22Å; A350-F447 HydrophobicContact CB-CE1 4.12Å; A350-H451 HydrophobicContact CB-CB 4.06Å; A350-H451 WeakPolarHBondContact CB-CD2 3.47Å
351D98.9Very high98.7Very high0 Ų020.2 Ų20.20%011%0.11CC..Hα-helixtrans-62.5-43.6172.4-81.4-5.2000112F225 G227 I228 L330 Y331 L347 L349 V354 Y355F225-D351 WeakPolarHBondContact CA-OD2 3.39Å; F225-D351 HydrophobicContact CD1-CB 4.12Å; G227-D351 WeakPolarHBondContact CA-OD2 3.33Å; G227-D351 PolarHBondContact N-OD2 3.03Å; I228-D351 HydrophobicContact CD1-CB 3.79Å; I228-D351 HydrophobicContact CG1-CB 3.78Å; I228-D351 PolarHBondContact N-OD2 3.15Å; L330-D351 WeakPolarHBondContact CB-OD1 3.33Å; L330-D351 WeakPolarHBondContact CG-OD1 3.36Å; Y331-D351 WeakPolarHBondContact CB-OD1 3.48Å; Y331-D351 PolarHBondContact N-OD1 2.68Å; L347-D351 PolarHBondContact O-N 3.38Å; L349-D351 VanDerWaalsContact C-N 3.28Å; L349-D351 PolarHBondContact O-N 2.84Å; D351-V354 PolarHBondContact O-N 2.84Å; D351-Y355 WeakPolarHBondContact O-CB 3.37Å; D351-Y355 PolarHBondContact O-N 3Å
352G98.9Very high98.7Very high0 Ų020.1 Ų20.10%011%0.11CC..Hα-helixtrans-65.3-43.8-179.200000114.4V348 L349 V354 Y355 A356V348-G352 PolarHBondContact O-N 3.17Å; L349-G352 CarbonylContact O-C 3.52Å; L349-G352 WeakPolarHBondContact O-CA 3.47Å; L349-G352 PolarHBondContact O-N 3.01Å; G352-V354 VanDerWaalsContact C-N 3.34Å; G352-Y355 PolarHBondContact O-N 3.05Å; G352-A356 PolarHBondContact O-N 3.44Å
353V98.9Very high98.7Very high0 Ų021.6 Ų21.60%012%0.118CC..Hα-helixtrans-68.7-35.7178.1-60.40000111.2V258 L349 A350 A356 S357 I365 D367 I448 L452V258-V353 HydrophobicContact CB-CG1 4.28Å; V258-V353 HydrophobicContact CG1-CG1 4.33Å; V258-V353 HydrophobicContact CG2-CG1 4.18Å; L349-V353 WeakPolarHBondContact O-CG2 3.21Å; L349-V353 PolarHBondContact O-N 3.31Å; A350-V353 WeakPolarHBondContact O-CG2 3.4Å; V353-A356 WeakPolarHBondContact O-CB 3.1Å; V353-A356 PolarHBondContact O-N 2.66Å; V353-S357 PolarHBondContact O-N 3.07Å; V353-I365 HydrophobicContact CB-CG2 4.08Å; V353-I365 HydrophobicContact CG1-CG2 3.87Å; V353-D367 HydrophobicContact CG1-CB 3.98Å; V353-I448 HydrophobicContact CB-CG2 4.45Å; V353-I448 HydrophobicContact CG1-CG2 3.81Å; V353-I448 HydrophobicContact CG2-CG2 3.78Å; V353-L452 HydrophobicContact CB-CD1 4.3Å; V353-L452 HydrophobicContact CB-CD2 4.13Å; V353-L452 HydrophobicContact CB-CG 4.27Å; V353-L452 HydrophobicContact CG2-CD1 4.33Å; V353-L452 HydrophobicContact CG2-CD2 4.08Å; V353-L452 HydrophobicContact CG2-CG 3.93Å; V353-L452 WeakPolarHBondContact O-CD2 3.33Å
354V98.9Very high98.7Very high3 Ų321.7 Ų21.72%0.01812%0.117CC..Hα-helixtrans-67.7-40.4175.1175.10000110.7Y331 A350 D351 G352 A356 S357 K358 H451Y331-V354 HydrophobicContact CD1-CB 4Å; Y331-V354 HydrophobicContact CD1-CG1 3.56Å; Y331-V354 HydrophobicContact CE1-CG1 4.17Å; Y331-V354 HydrophobicContact CG-CG1 4.41Å; A350-V354 WeakPolarHBondContact O-CB 3.48Å; A350-V354 WeakPolarHBondContact O-CG2 3.25Å; A350-V354 PolarHBondContact O-N 3.22Å; D351-V354 PolarHBondContact O-N 2.84Å; G352-V354 VanDerWaalsContact C-N 3.34Å; V354-A356 VanDerWaalsContact C-N 3.34Å; V354-S357 PolarHBondContact O-N 3.24Å; V354-K358 HydrophobicContact CG1-CD 3.62Å; V354-K358 HydrophobicContact CG1-CG 4Å; V354-K358 WeakPolarHBondContact O-CB 3.24Å; V354-K358 PolarHBondContact O-N 3.29Å; V354-H451 HydrophobicContact CG2-CB 3.78Å; V354-H451 WeakPolarHBondContact CG2-O 3.39Å
355Y98.9Very high98.7Very high17 Ų1721.4 Ų21.47%0.06712%0.116CC..Hα-helixtrans-60.1-45172.7-178.5-92.1000111.6I215 F225 L241 V243 V309 Y331 D351 G352 S357 D359 L360I215-Y355 HydrophobicContact CD1-CE2 4.21Å; F225-Y355 AromaticContact CE1-CD2 3.96Å; F225-Y355 HydrophobicContact CE1-CD2 3.96Å; F225-Y355 HydrophobicContact CE1-CG 4.35Å; F225-Y355 AromaticContact CZ-CD2 3.68Å; F225-Y355 HydrophobicContact CZ-CD2 3.68Å; F225-Y355 HydrophobicContact CZ-CE2 4.26Å; F225-Y355 HydrophobicContact CZ-CG 4.5Å; L241-Y355 HydrophobicContact CD1-CG 4.48Å; L241-Y355 HydrophobicContact CD2-CD1 4Å; L241-Y355 HydrophobicContact CD2-CD2 4.39Å; L241-Y355 HydrophobicContact CD2-CE1 4.05Å; L241-Y355 HydrophobicContact CD2-CE2 4.41Å; L241-Y355 HydrophobicContact CD2-CG 4.17Å; V243-Y355 HydrophobicContact CG2-CD1 4.35Å; V243-Y355 HydrophobicContact CG2-CE1 3.6Å; V309-Y355 HydrophobicContact CG1-CD1 4.44Å; V309-Y355 HydrophobicContact CG2-CD1 4.48Å; Y331-Y355 HydrophobicContact CE1-CD2 4.13Å; D351-Y355 WeakPolarHBondContact O-CB 3.37Å; D351-Y355 PolarHBondContact O-N 3Å; G352-Y355 PolarHBondContact O-N 3.05Å; Y355-S357 VanDerWaalsContact C-N 3.29Å; Y355-S357 PolarHBondContact O-N 3.19Å; Y355-D359 HydrophobicContact CD1-CB 4.47Å; Y355-D359 HydrophobicContact CD2-CB 3.7Å; Y355-D359 WeakPolarHBondContact CD2-OD2 3.13Å; Y355-D359 HydrophobicContact CE1-CB 4.26Å; Y355-D359 HydrophobicContact CE2-CB 3.48Å; Y355-D359 VanDerWaalsContact CE2-CB 3.48Å; Y355-D359 WeakPolarHBondContact CE2-OD1 3.37Å; Y355-D359 HydrophobicContact CG-CB 4.21Å; Y355-D359 WeakPolarHBondContact O-CA 3.19Å; Y355-D359 WeakPolarHBondContact O-CB 3.32Å; Y355-D359 PolarHBondContact O-N 3.48Å; Y355-L360 HydrophobicContact CD1-CD1 4.16Å; Y355-L360 HydrophobicContact CD1-CG 4.21Å; Y355-L360 HydrophobicContact CE1-CD1 3.92Å; Y355-L360 HydrophobicContact CE1-CD2 3.95Å; Y355-L360 HydrophobicContact CE1-CG 3.83Å; Y355-L360 PolarHBondContact O-N 3Å
356A98.9Very high98.7Very high0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-58.6-40.217500000112.7A256 V258 G352 V353 V354 L360 S361 A362 I365A256-A356 HydrophobicContact CB-CB 3.55Å; V258-A356 HydrophobicContact CG2-CB 4.06Å; G352-A356 PolarHBondContact O-N 3.44Å; V353-A356 WeakPolarHBondContact O-CB 3.1Å; V353-A356 PolarHBondContact O-N 2.66Å; V354-A356 VanDerWaalsContact C-N 3.34Å; A356-L360 CarbonylContact O-C 3.53Å; A356-L360 WeakPolarHBondContact O-CB 3.21Å; A356-S361 PolarHBondContact O-N 3.28Å; A356-A362 WeakPolarHBondContact O-CB 3.48Å; A356-A362 PolarHBondContact O-N 3.49Å; A356-A362 VanDerWaalsContact O-N 3.08Å; A356-I365 HydrophobicContact CB-CD1 4.02Å; A356-I365 HydrophobicContact CB-CG1 4.17Å
357S98.7Very high98.7Very high29 Ų2921 Ų2120%0.20312%0.115CC..Hα-helixtrans-72.6-52.8177.9-1760000112.6V353 V354 Y355 S361 W456V353-S357 PolarHBondContact O-N 3.07Å; V354-S357 PolarHBondContact O-N 3.24Å; Y355-S357 VanDerWaalsContact C-N 3.29Å; Y355-S357 PolarHBondContact O-N 3.19Å; S357-S361 VanDerWaalsContact O-CA 3.3Å; S357-S361 WeakPolarHBondContact O-CA 3.5Å; S357-S361 PolarHBondContact O-N 3.42Å; S357-W456 PolarHBondContact OG-NE1 2.58Å; S357-W456 VanDerWaalsContact OG-NE1 3.13Å
358K98.2Very high98.7Very high120 Ų12020.7 Ų20.752%0.52211%0.113SC..Hα-helixtrans-78.8-44.9-171.8-68.7-174.9-178.5173.30113.6Y331 S332 V354Y331-K358 PolarHBondContact O-NZ 3.01Å; S332-K358 PolarHBondContact O-NZ 3.25Å; V354-K358 HydrophobicContact CG1-CD 3.62Å; V354-K358 HydrophobicContact CG1-CG 4Å; V354-K358 WeakPolarHBondContact O-CB 3.24Å; V354-K358 PolarHBondContact O-N 3.29Å
359D98.7Very high98.7Very high63 Ų6320.7 Ų20.734%0.33711%0.113SC..THydrogen-bonded Turntrans-95-30.6-170.5-63.6-117.9000111.9Y331 Y355Y331-D359 VanDerWaalsContact CE1-OD2 3.23Å; Y331-D359 WeakPolarHBondContact CE1-OD2 3.21Å; Y331-D359 VanDerWaalsContact OH-CG 3.23Å; Y331-D359 PolarHBondContact OH-OD1 3.21Å; Y331-D359 VanDerWaalsContact OH-OD1 3.06Å; Y331-D359 PolarHBondContact OH-OD2 2.87Å; Y355-D359 HydrophobicContact CD1-CB 4.47Å; Y355-D359 HydrophobicContact CD2-CB 3.7Å; Y355-D359 WeakPolarHBondContact CD2-OD2 3.13Å; Y355-D359 HydrophobicContact CE1-CB 4.26Å; Y355-D359 HydrophobicContact CE2-CB 3.48Å; Y355-D359 VanDerWaalsContact CE2-CB 3.48Å; Y355-D359 WeakPolarHBondContact CE2-OD1 3.37Å; Y355-D359 HydrophobicContact CG-CB 4.21Å; Y355-D359 WeakPolarHBondContact O-CA 3.19Å; Y355-D359 WeakPolarHBondContact O-CB 3.32Å; Y355-D359 PolarHBondContact O-N 3.48Å
360L98.6Very high98.7Very high26 Ų2621.1 Ų21.114%0.13612%0.115CC..THydrogen-bonded Turntrans-103.3-7.8180-50.2178.4000113.2V243 T254 H307 V309 Y355 A356 A362V243-L360 HydrophobicContact CG1-CD1 4.14Å; T254-L360 WeakPolarHBondContact CG2-O 3.47Å; H307-L360 HydrophobicContact CB-CD1 3.63Å; V309-L360 HydrophobicContact CG2-CD1 3.8Å; Y355-L360 HydrophobicContact CD1-CD1 4.16Å; Y355-L360 HydrophobicContact CD1-CG 4.21Å; Y355-L360 HydrophobicContact CE1-CD1 3.92Å; Y355-L360 HydrophobicContact CE1-CD2 3.95Å; Y355-L360 HydrophobicContact CE1-CG 3.83Å; Y355-L360 PolarHBondContact O-N 3Å; A356-L360 CarbonylContact O-C 3.53Å; A356-L360 WeakPolarHBondContact O-CB 3.21Å; L360-A362 PolarHBondContact O-N 3.26Å
361S98.2Very high98.7Very high82 Ų8222.1 Ų22.157%0.57312%0.121SC*.  trans53.139.2-178.9-54.20000113A356 S357 D363A356-S361 PolarHBondContact O-N 3.28Å; S357-S361 VanDerWaalsContact O-CA 3.3Å; S357-S361 WeakPolarHBondContact O-CA 3.5Å; S357-S361 PolarHBondContact O-N 3.42Å; S361-D363 PolarHBondContact O-N 3.32Å
362A98.6Very high98.5Very high5 Ų522.6 Ų22.64%0.04112%0.124CC..  trans-67.1132.3-178.500000111.9T254 A256 A356 L360 I365 W456T254-A362 HydrophobicContact CG2-CB 4.39Å; T254-A362 CarbonylContact O-C 3.59Å; T254-A362 WeakPolarHBondContact O-CA 3.46Å; A256-A362 HydrophobicContact CB-CB 3.73Å; A356-A362 WeakPolarHBondContact O-CB 3.48Å; A356-A362 PolarHBondContact O-N 3.49Å; A356-A362 VanDerWaalsContact O-N 3.08Å; L360-A362 PolarHBondContact O-N 3.26Å; A362-I365 HydrophobicContact CB-CD1 4.36Å; A362-I365 HydrophobicContact CB-CG1 3.8Å; A362-W456 VanDerWaalsContact O-CZ2 3.28Å; A362-W456 WeakPolarHBondContact O-CZ2 3.26Å
363D97.8Very high98.2Very high80 Ų8025.9 Ų25.943%0.42816%0.157SC..SBendtrans-80.8-32.4172.8-55.1-63.7000111.5T254 S361 G458 I459T254-D363 PolarHBondContact N-OD2 3.35Å; T254-D363 PolarHBondContact O-N 3.08Å; S361-D363 PolarHBondContact O-N 3.32Å; D363-G458 VanDerWaalsContact O-CA 3.27Å; D363-G458 WeakPolarHBondContact O-CA 3.3Å; D363-I459 PolarHBondContact O-N 3.04Å
364I98.7Very high98.1Very high10 Ų1026.3 Ų26.35%0.05116%0.161CC..EExtended strand (participates in β ladder)trans-128121.6-178.9-56166000108.4T254 I255 A256 W393 I459 F487T254-I364 PolarHBondContact O-N 2.74Å; I255-I364 WeakPolarHBondContact CA-O 3.33Å; I255-I364 HydrophobicContact CG1-CB 4.25Å; I255-I364 HydrophobicContact CG1-CD1 4.15Å; A256-I364 PolarHBondContact N-O 2.97Å; I364-W393 HydrophobicContact CD1-CH2 3.94Å; I364-W393 HydrophobicContact CD1-CZ2 3.61Å; I364-W393 HydrophobicContact CG1-CZ2 4.3Å; I364-W393 HydrophobicContact CG2-CH2 3.93Å; I364-W393 HydrophobicContact CG2-CZ2 4.15Å; I364-W393 HydrophobicContact CG2-CZ3 4.33Å; I364-I459 CarbonylContact C-O 3.58Å; I364-I459 WeakPolarHBondContact CA-O 3.41Å; I364-I459 HydrophobicContact CG1-CB 4.19Å; I364-I459 HydrophobicContact CG2-CB 4.29Å; I364-I459 HydrophobicContact CG2-CG2 4.4Å; I364-F487 HydrophobicContact CG2-CE1 4.28Å; I364-F487 HydrophobicContact CG2-CZ 4.41Å
365I98.9Very high98.1Very high0 Ų026.1 Ų26.10%016%0.16CC..EExtended strand (participates in β ladder)trans-117.7115.4177.2-61.2172.4000108.4A256 V258 V353 A356 A362 L452 W456 I459 W460 V461A256-I365 HydrophobicContact CB-CG1 4.44Å; A256-I365 WeakPolarHBondContact O-CA 3.5Å; V258-I365 HydrophobicContact CG2-CG2 4.02Å; V353-I365 HydrophobicContact CB-CG2 4.08Å; V353-I365 HydrophobicContact CG1-CG2 3.87Å; A356-I365 HydrophobicContact CB-CD1 4.02Å; A356-I365 HydrophobicContact CB-CG1 4.17Å; A362-I365 HydrophobicContact CB-CD1 4.36Å; A362-I365 HydrophobicContact CB-CG1 3.8Å; I365-L452 HydrophobicContact CD1-CD1 4.27Å; I365-L452 HydrophobicContact CD1-CD2 3.9Å; I365-W456 HydrophobicContact CB-CH2 4.22Å; I365-W456 HydrophobicContact CD1-CH2 3.54Å; I365-W456 HydrophobicContact CD1-CZ2 3.7Å; I365-W456 HydrophobicContact CD1-CZ3 4.28Å; I365-W456 HydrophobicContact CG1-CH2 3.71Å; I365-W456 HydrophobicContact CG1-CZ2 4.25Å; I365-W456 HydrophobicContact CG1-CZ3 4.49Å; I365-I459 PolarHBondContact N-O 3.31Å; I365-W460 CarbonylContact O-C 3.48Å; I365-W460 VanDerWaalsContact O-CA 3.31Å; I365-W460 WeakPolarHBondContact O-CA 3.48Å; I365-V461 PolarHBondContact O-N 2.68Å
366L98.9Very high98.1Very high0 Ų026.5 Ų26.50%017%0.169CC..EExtended strand (participates in β ladder)trans-107.2121.9167.9-176.4154.7000109.1A256 W257 V258 M368 V461 V463 L483 L486 F487A256-L366 PolarHBondContact O-N 2.78Å; W257-L366 CarbonylContact C-O 3.48Å; W257-L366 VanDerWaalsContact CA-O 3.26Å; W257-L366 WeakPolarHBondContact CA-O 3.16Å; V258-L366 PolarHBondContact N-O 3.08Å; L366-M368 HydrophobicContact CD2-CB 4.26Å; L366-M368 HydrophobicContact CD2-CE 4.41Å; L366-V461 CarbonylContact C-O 3.52Å; L366-V461 VanDerWaalsContact CA-O 3.24Å; L366-V461 WeakPolarHBondContact CA-O 3.32Å; L366-V461 HydrophobicContact CB-CB 4.32Å; L366-V461 HydrophobicContact CD1-CB 4.23Å; L366-V461 HydrophobicContact CD1-CG1 4.1Å; L366-V461 HydrophobicContact CG-CB 4.11Å; L366-V461 HydrophobicContact CG-CG1 4.27Å; L366-V463 HydrophobicContact CD1-CG2 4.16Å; L366-V463 HydrophobicContact CD2-CG2 4.1Å; L366-V463 HydrophobicContact CG-CG2 4.13Å; L366-L483 HydrophobicContact CD1-CD2 3.67Å; L366-L483 HydrophobicContact CD2-CD2 3.72Å; L366-L483 HydrophobicContact CG-CD2 4.33Å; L366-L486 HydrophobicContact CD1-CD2 3.76Å; L366-F487 HydrophobicContact CB-CZ 4.47Å; L366-F487 HydrophobicContact CD1-CE2 3.98Å; L366-F487 HydrophobicContact CD1-CZ 4.37Å
367D98.9Very high98Very high0 Ų033.8 Ų33.80%021%0.206CC..EExtended strand (participates in β ladder)trans-107141.3170.378.589000112V258 L349 V353 W460 V461 H462 V463V258-D367 HydrophobicContact CB-CB 4.03Å; V258-D367 CarbonylContact O-C 3.53Å; V258-D367 WeakPolarHBondContact O-CA 3.47Å; L349-D367 HydrophobicContact CD2-CB 4.29Å; V353-D367 HydrophobicContact CG1-CB 3.98Å; D367-W460 PolarHBondContact OD2-NE1 3.39Å; D367-V461 PolarHBondContact N-O 2.99Å; D367-H462 IonicContact OD1-CE1 2.58Å; D367-H462 PolarHBondContact OD1-CE1 2.82Å; D367-H462 IonicContact OD1-CG 3.19Å; D367-H462 IonicContact OD1-ND1 2.63Å; D367-H462 PolarHBondContact OD1-ND1 2.99Å; D367-H462 IonicContact OD2-ND1 3.51Å; D367-V463 PolarHBondContact O-N 3.06Å
368M98.9Very high98Very high0 Ų035.9 Ų35.90%022%0.221CC..EExtended strand (participates in β ladder)trans-130.4131.5-177.7-171.3178.6-68.900110.7V258 K260 G286 A289 I290 L366 V463 I465 L482 L483V258-M368 PolarHBondContact O-N 3.1Å; K260-M368 PolarHBondContact N-O 3.36Å; G286-M368 VanDerWaalsContact CA-O 3.31Å; G286-M368 WeakPolarHBondContact CA-O 3.46Å; A289-M368 HydrophobicContact CB-SD 3.5Å; A289-M368 WeakPolarHBondContact CB-SD 3.13Å; I290-M368 HydrophobicContact CD1-CB 4.05Å; I290-M368 HydrophobicContact CG1-CB 4.49Å; L366-M368 HydrophobicContact CD2-CB 4.26Å; L366-M368 HydrophobicContact CD2-CE 4.41Å; M368-V463 WeakPolarHBondContact CA-O 3.3Å; M368-V463 HydrophobicContact CB-CB 4.46Å; M368-V463 HydrophobicContact CE-CB 4.43Å; M368-V463 HydrophobicContact CE-CG1 4.27Å; M368-V463 HydrophobicContact CG-CB 4.25Å; M368-V463 HydrophobicContact CG-CG1 4.47Å; M368-I465 HydrophobicContact CG-CD1 3.92Å; M368-I465 HydrophobicContact CG-CG1 4.13Å; M368-I465 HydrophobicContact CG-CG2 3.93Å; M368-I465 HydrophobicContact SD-CD1 3.87Å; M368-I465 HydrophobicContact SD-CG2 4.19Å; M368-L482 HydrophobicContact CE-CD2 4.44Å; M368-L483 HydrophobicContact CE-CD1 3.94Å; M368-L483 HydrophobicContact CE-CD2 4.13Å; M368-L483 HydrophobicContact CE-CG 3.91Å
369A98.9Very high98Very high0 Ų031 Ų310%020%0.201CC..EExtended strand (participates in β ladder)trans-150.7148.7-177.100000114.1K260 L349 L371 V463 D464 I465K260-A369 HydrophobicContact CB-CB 3.54Å; K260-A369 HydrophobicContact CD-CB 3.83Å; K260-A369 HydrophobicContact CG-CB 4.29Å; L349-A369 HydrophobicContact CD1-CB 3.67Å; A369-L371 VanDerWaalsContact C-N 3.27Å; A369-L371 HydrophobicContact CB-CB 3.81Å; A369-L371 HydrophobicContact CB-CD1 4.28Å; A369-L371 PolarHBondContact O-N 3.42Å; A369-L371 VanDerWaalsContact O-N 3.17Å; A369-V463 PolarHBondContact N-O 3.26Å; A369-D464 CarbonylContact O-C 3.45Å; A369-D464 WeakPolarHBondContact O-CA 3.17Å; A369-I465 WeakPolarHBondContact O-CG1 3.49Å; A369-I465 PolarHBondContact O-N 3.13Å
370T98.4Very high98Very high8 Ų829.2 Ų29.25%0.04920%0.198CC..  trans-78.879.7154.4460000107.8K260 D283 I465 V469K260-T370 PolarHBondContact NZ-O 3.48Å; D283-T370 VanDerWaalsContact CA-OG1 3.27Å; D283-T370 WeakPolarHBondContact CA-OG1 3.34Å; D283-T370 PolarHBondContact O-OG1 2.75Å; D283-T370 WeakPolarHBondContact OD1-CB 3.41Å; D283-T370 PolarHBondContact OD1-OG1 2.94Å; T370-I465 HydrophobicContact CG2-CD1 4.46Å; T370-I465 HydrophobicContact CG2-CG1 4Å; T370-V469 HydrophobicContact CG2-CB 3.9Å; T370-V469 HydrophobicContact CG2-CG1 3.78Å; T370-V469 HydrophobicContact CG2-CG2 4.02Å
371L97.7Very high97.9Very high22 Ų2235.4 Ų35.412%0.11522%0.223CC..  trans-95.9-47.8-161.8-166.363.2000113.5K260 R346 A369 A444 I448 H462 D464K260-L371 HydrophobicContact CD-CD1 4.45Å; R346-L371 HydrophobicContact CB-CD1 4.23Å; A369-L371 VanDerWaalsContact C-N 3.27Å; A369-L371 HydrophobicContact CB-CB 3.81Å; A369-L371 HydrophobicContact CB-CD1 4.28Å; A369-L371 PolarHBondContact O-N 3.42Å; A369-L371 VanDerWaalsContact O-N 3.17Å; L371-A444 HydrophobicContact CD2-CB 3.66Å; L371-A444 HydrophobicContact CG-CB 4.26Å; L371-I448 HydrophobicContact CD2-CD1 3.91Å; L371-H462 VanDerWaalsContact CD2-CE1 3.48Å; L371-H462 WeakPolarHBondContact CD2-CE1 3.27Å; L371-D464 HydrophobicContact CB-CB 4.45Å; L371-D464 PolarHBondContact N-OD1 3.06Å
372T95.2Very high97.9Very high10 Ų1037.8 Ų37.86%0.06122%0.221CC..  trans-133139.4-170.467.50000113.4A374 Q375 S441 A444 D464 A466T372-A374 PolarHBondContact O-N 2.98Å; T372-Q375 WeakPolarHBondContact O-CB 3.39Å; T372-Q375 PolarHBondContact O-N 2.94Å; T372-Q375 PolarHBondContact OG1-N 3.12Å; T372-Q375 VanDerWaalsContact OG1-N 3.13Å; T372-S441 PolarHBondContact OG1-OG 3.18Å; T372-A444 HydrophobicContact CG2-CB 3.42Å; T372-A444 VanDerWaalsContact CG2-CB 3.42Å; T372-D464 WeakPolarHBondContact CB-OD2 3.36Å; T372-D464 PolarHBondContact N-OD2 2.91Å; T372-D464 PolarHBondContact OG1-OD2 3.33Å; T372-A466 VanDerWaalsContact O-CB 3.23Å; T372-A466 WeakPolarHBondContact O-CB 3.26Å
373G93.4Very high97.9Very high68 Ų6839.1 Ų39.170%0.70123%0.226SC*.Hα-helixtrans-61-27.6164.700000112.6Q375 G376G373-Q375 PolarHBondContact O-N 2.81Å; G373-G376 PolarHBondContact O-N 3.32Å
374A97.4Very high97.9Very high9 Ų935.3 Ų35.37%0.07421%0.206CC..Hα-helixtrans-65.1-2317700000113.7T372 G376 I377 S378 Q440 S441T372-A374 PolarHBondContact O-N 2.98Å; A374-G376 VanDerWaalsContact C-N 3.29Å; A374-G376 PolarHBondContact O-N 3.16Å; A374-I377 PolarHBondContact O-N 3.48Å; A374-I377 VanDerWaalsContact O-N 3.16Å; A374-S378 WeakPolarHBondContact O-CB 3.35Å; A374-S378 PolarHBondContact O-N 2.89Å; A374-S378 PolarHBondContact O-OG 3.05Å; A374-Q440 HydrophobicContact CB-CB 3.87Å; A374-Q440 HydrophobicContact CB-CG 4.13Å; A374-S441 WeakPolarHBondContact CB-OG 3.27Å
375Q98.6Very high97.9Very high0 Ų034.9 Ų34.90%020%0.203CC..Hα-helixtrans-59.1-45.3174.2174.4-77.1-56.100110.2T372 G373 I377 S378 T379 G380 H383 A385 S441 D464 A466 S467T372-Q375 WeakPolarHBondContact O-CB 3.39Å; T372-Q375 PolarHBondContact O-N 2.94Å; T372-Q375 PolarHBondContact OG1-N 3.12Å; T372-Q375 VanDerWaalsContact OG1-N 3.13Å; G373-Q375 PolarHBondContact O-N 2.81Å; Q375-I377 PolarHBondContact O-N 2.68Å; Q375-S378 PolarHBondContact O-N 2.71Å; Q375-S378 VanDerWaalsContact O-N 3.07Å; Q375-T379 PolarHBondContact NE2-OG1 3.07Å; Q375-T379 PolarHBondContact O-N 3Å; Q375-T379 PolarHBondContact O-OG1 2.73Å; Q375-G380 PolarHBondContact NE2-O 2.84Å; Q375-H383 PolarHBondContact NE2-O 3.42Å; Q375-A385 HydrophobicContact CB-CB 4.44Å; Q375-A385 HydrophobicContact CG-CB 3.67Å; Q375-S441 WeakPolarHBondContact CA-OG 3.32Å; Q375-S441 PolarHBondContact N-OG 2.92Å; Q375-D464 HydrophobicContact CB-CB 4.23Å; Q375-D464 WeakPolarHBondContact CB-OD2 3.3Å; Q375-D464 HydrophobicContact CG-CB 4.01Å; Q375-D464 WeakPolarHBondContact CG-O 3.33Å; Q375-A466 HydrophobicContact CB-CB 4.41Å; Q375-S467 PolarHBondContact OE1-OG 3.24Å
376G97.6Very high97.9Very high24 Ų2434.9 Ų34.925%0.24720%0.203CC..Hα-helixtrans-64.7-25.6179.800000113.9G373 A374 G380 S467G373-G376 PolarHBondContact O-N 3.32Å; A374-G376 VanDerWaalsContact C-N 3.29Å; A374-G376 PolarHBondContact O-N 3.16Å; G376-G380 WeakPolarHBondContact O-CA 3.23Å; G376-G380 PolarHBondContact O-N 2.97Å; G376-S467 WeakPolarHBondContact CA-OG 2.95Å; G376-S467 PolarHBondContact N-OG 3.43Å
377I98.2Very high97.9Very high153 Ų15334.9 Ų34.979%0.78520%0.203SC*.Hα-helixtrans-77.6-41.4172.9-59.7173.1000110A374 Q375A374-I377 PolarHBondContact O-N 3.48Å; A374-I377 VanDerWaalsContact O-N 3.16Å; Q375-I377 PolarHBondContact O-N 2.68Å
378S97.1Very high97.9Very high73 Ų7335.1 Ų35.151%0.5121%0.205SC..Hα-helixtrans-75.7-52.2-173-54.60000113A374 Q375A374-S378 WeakPolarHBondContact O-CB 3.35Å; A374-S378 PolarHBondContact O-N 2.89Å; A374-S378 PolarHBondContact O-OG 3.05Å; Q375-S378 PolarHBondContact O-N 2.71Å; Q375-S378 VanDerWaalsContact O-N 3.07Å
379T98.4Very high97.8Very high19 Ų1937.6 Ų37.612%0.11722%0.218CC..THydrogen-bonded Turntrans-118.8-2.7-173.861.10000113.2Q375 H383 A385 H409 L411Q375-T379 PolarHBondContact NE2-OG1 3.07Å; Q375-T379 PolarHBondContact O-N 3Å; Q375-T379 PolarHBondContact O-OG1 2.73Å; T379-H383 WeakPolarHBondContact O-CB 3.41Å; T379-H383 PolarHBondContact OG1-O 2.93Å; T379-A385 HydrophobicContact CG2-CB 3.96Å; T379-H409 HydrophobicContact CG2-CB 3.93Å; T379-L411 HydrophobicContact CG2-CD2 4.26Å
380G98.4Very high97.8Very high25 Ų2538.6 Ų38.626%0.25823%0.225SC..THydrogen-bonded Turntrans83.6-166.4174.300000114.2Q375 G376Q375-G380 PolarHBondContact NE2-O 2.84Å; G376-G380 WeakPolarHBondContact O-CA 3.23Å; G376-G380 PolarHBondContact O-N 2.97Å
381K97.6Very high97.7Very high155 Ų15546.4 Ų46.467%0.67426%0.261SS*.THydrogen-bonded Turntrans-84-15.8-171.7-64.4-175.8179.3179.70115.1P468K381-P468 WeakPolarHBondContact O-CA 2.81Å
382Y97.9Very high97.7Very high133 Ų13351.6 Ų51.652%0.52228%0.284SS..THydrogen-bonded Turntrans-112.1-21.8-170.5-59.3-72.9000113H93H93-Y382 AromaticContact CD2-CD1 3.87Å; H93-Y382 AromaticContact CE1-CD1 3.9Å; H93-Y382 AromaticContact CG-CD1 3.98Å; H93-Y382 AromaticContact ND1-CD1 4Å; H93-Y382 AromaticContact NE2-CD1 3.81Å
383H98.8Very high97.8Very high33 Ų3352 Ų5215%0.15329%0.285CS..SBendtrans-106.1124.2-178.5-63.268.6000110H86 Q375 T379 L407 H409 P468H86-H383 PolarHBondContact O-NE2 2.92Å; Q375-H383 PolarHBondContact NE2-O 3.42Å; T379-H383 WeakPolarHBondContact O-CB 3.41Å; T379-H383 PolarHBondContact OG1-O 2.93Å; H383-L407 CarbonylContact C-O 3.58Å; H383-L407 WeakPolarHBondContact CA-O 3.19Å; H383-H409 HydrophobicContact CB-CB 4.25Å; H383-P468 VanDerWaalsContact C-CG 3.49Å
384A98.8Very high98Very high0 Ų051.4 Ų51.40%026%0.264CS..EExtended strand (participates in β ladder)trans-61.5147.3162.400000109.7L407 A408 H409 V463 D464 I465 F478A384-L407 PolarHBondContact N-O 2.85Å; A384-A408 CarbonylContact O-C 3.52Å; A384-A408 WeakPolarHBondContact O-CA 3.23Å; A384-H409 PolarHBondContact O-N 2.87Å; A384-V463 HydrophobicContact CB-CG1 3.84Å; A384-D464 CarbonylContact C-O 3.46Å; A384-D464 WeakPolarHBondContact CA-O 3.09Å; A384-I465 HydrophobicContact CB-CG2 3.9Å; A384-F478 HydrophobicContact CB-CE1 3.67Å; A384-F478 HydrophobicContact CB-CZ 3.57Å
385A98.8Very high98Very high0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-89.8124.4169.600000108.5Q375 T379 H409 L411 D464Q375-A385 HydrophobicContact CB-CB 4.44Å; Q375-A385 HydrophobicContact CG-CB 3.67Å; T379-A385 HydrophobicContact CG2-CB 3.96Å; A385-H409 WeakPolarHBondContact CA-O 3.28Å; A385-L411 HydrophobicContact CB-CD1 3.74Å; A385-L411 HydrophobicContact CB-CD2 3.76Å; A385-L411 HydrophobicContact CB-CG 3.66Å; A385-D464 HydrophobicContact CB-CB 4.23Å; A385-D464 PolarHBondContact N-O 3.5Å; A385-D464 PolarHBondContact O-N 3.46Å
386V98.7Very high98Very high0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-113.5141.9179.1-61.20000110.7C397 A408 H409 P410 L411 H462 V463V386-C397 HydrophobicContact CB-CB 4.36Å; V386-C397 HydrophobicContact CG1-CB 4.13Å; V386-C397 HydrophobicContact CG2-CB 4.09Å; V386-A408 HydrophobicContact CG1-CB 3.8Å; V386-H409 PolarHBondContact N-O 3.12Å; V386-P410 HydrophobicContact CG2-CB 4.38Å; V386-P410 CarbonylContact O-C 3.3Å; V386-P410 WeakPolarHBondContact O-CA 3.3Å; V386-L411 PolarHBondContact O-N 3.42Å; V386-H462 WeakPolarHBondContact CA-O 3.33Å; V386-V463 HydrophobicContact CG1-CG1 4.08Å; V386-V463 HydrophobicContact CG1-CG2 4.19Å
387M98.3Very high98.1Very high0 Ų050.9 Ų50.90%026%0.259CS..EExtended strand (participates in β ladder)trans-143.1137.3175.3-169.5-17767.100109L411 Y413 S442 G445 L446 W460 H462M387-L411 HydrophobicContact CB-CB 4.28Å; M387-Y413 HydrophobicContact CE-CD2 4.48Å; M387-Y413 HydrophobicContact CG-CD2 3.91Å; M387-Y413 HydrophobicContact CG-CG 4.47Å; M387-Y413 HydrophobicContact SD-CD2 4.2Å; M387-S442 WeakPolarHBondContact CE-O 3.32Å; M387-G445 VanDerWaalsContact CE-C 3.49Å; M387-L446 HydrophobicContact CE-CD2 4.04Å; M387-L446 HydrophobicContact CE-CG 3.89Å; M387-L446 HydrophobicContact SD-CD2 4.36Å; M387-L446 HydrophobicContact SD-CG 4.12Å; M387-W460 HydrophobicContact CE-CH2 3.54Å; M387-W460 HydrophobicContact CE-CZ2 4.49Å; M387-W460 HydrophobicContact CE-CZ3 4.04Å; M387-H462 HydrophobicContact CB-CB 4.5Å; M387-H462 PolarHBondContact N-O 3.22Å; M387-H462 PolarHBondContact O-N 3.21Å
388T98.6Very high98.1Very high5 Ų544.9 Ų44.93%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-153.1156.1-174.3174.80000111.1S390 W393 E394 Y413 W460T388-S390 WeakPolarHBondContact CG2-O 3.46Å; T388-S390 PolarHBondContact O-N 3.16Å; T388-S390 PolarHBondContact OG1-N 3.37Å; T388-S390 VanDerWaalsContact OG1-N 3.15Å; T388-W393 HydrophobicContact CG2-CB 4.41Å; T388-E394 HydrophobicContact CG2-CB 3.61Å; T388-E394 HydrophobicContact CG2-CG 4.38Å; T388-Y413 WeakPolarHBondContact O-CD2 3.45Å; T388-Y413 VanDerWaalsContact O-CG 3.25Å; T388-W460 VanDerWaalsContact CA-O 3.23Å; T388-W460 WeakPolarHBondContact CA-O 3.3Å; T388-W460 WeakPolarHBondContact CB-O 3.35Å; T388-W460 PolarHBondContact OG1-O 2.84Å
389N97.8Very high98.1Very high53 Ų5346.4 Ų46.428%0.28322%0.224SC..SBendtrans-77.86170.169.2-20.5000113.5Y413 G458 W460N389-Y413 HydrophobicContact CB-CE1 4.37Å; N389-Y413 HydrophobicContact CB-CE2 4.26Å; N389-G458 PolarHBondContact ND2-O 2.93Å; N389-W460 PolarHBondContact N-O 3.4Å; N389-W460 PolarHBondContact OD1-N 3.27Å; N389-W460 PolarHBondContact OD1-O 2.88Å
390S97.7Very high98.1Very high20 Ų2045.5 Ų45.514%0.1422%0.219CC..  trans-136.5117-177179.40000113T388 Q392 W393 E394T388-S390 WeakPolarHBondContact CG2-O 3.46Å; T388-S390 PolarHBondContact O-N 3.16Å; T388-S390 PolarHBondContact OG1-N 3.37Å; T388-S390 VanDerWaalsContact OG1-N 3.15Å; S390-Q392 PolarHBondContact O-N 3.31Å; S390-W393 PolarHBondContact O-N 2.62Å; S390-W393 VanDerWaalsContact O-N 3.08Å; S390-E394 PolarHBondContact O-N 2.83Å
391E97Very high98.1Very high173 Ų17344.3 Ų44.381%0.80821%0.207SC*.Hα-helixtrans-56.8-36.8176.1-175.6-179.8-166.400112.5W393 E394 G395E391-W393 VanDerWaalsContact C-N 3.35Å; E391-W393 PolarHBondContact O-N 2.95Å; E391-E394 WeakPolarHBondContact O-CB 3.38Å; E391-E394 PolarHBondContact O-N 3.13Å; E391-G395 PolarHBondContact O-N 3.23Å
392Q96.9Very high98.1Very high130 Ų13039.2 Ų39.261%0.60718%0.183SC*.Hα-helixtrans-60.6-45.5176.4-176.4-175.32000111.4S390 A396 L502S390-Q392 PolarHBondContact O-N 3.31Å; Q392-A396 WeakPolarHBondContact O-CB 3.45Å; Q392-A396 PolarHBondContact O-N 3Å; Q392-L502 HydrophobicContact CG-CD2 4.41Å
393W98Very high98.1Very high19 Ų1934.3 Ų34.37%0.07217%0.168CC..Hα-helixtrans-72.3-31.2179.8-79.382.8000112.2I364 T388 S390 E391 A396 C397 I459 V461 L486 F487 L502I364-W393 HydrophobicContact CD1-CH2 3.94Å; I364-W393 HydrophobicContact CD1-CZ2 3.61Å; I364-W393 HydrophobicContact CG1-CZ2 4.3Å; I364-W393 HydrophobicContact CG2-CH2 3.93Å; I364-W393 HydrophobicContact CG2-CZ2 4.15Å; I364-W393 HydrophobicContact CG2-CZ3 4.33Å; T388-W393 HydrophobicContact CG2-CB 4.41Å; S390-W393 PolarHBondContact O-N 2.62Å; S390-W393 VanDerWaalsContact O-N 3.08Å; E391-W393 VanDerWaalsContact C-N 3.35Å; E391-W393 PolarHBondContact O-N 2.95Å; W393-A396 PolarHBondContact O-N 3.38Å; W393-C397 WeakPolarHBondContact O-CB 3.39Å; W393-C397 PolarHBondContact O-N 2.86Å; W393-C397 PolarHBondContact O-SG 2.99Å; W393-I459 HydrophobicContact CB-CG2 4.29Å; W393-I459 VanDerWaalsContact CD1-CG2 3.46Å; W393-I459 HydrophobicContact CD2-CG2 3.79Å; W393-I459 HydrophobicContact CG-CG2 3.58Å; W393-V461 HydrophobicContact CB-CG2 4.05Å; W393-V461 HydrophobicContact CD2-CG2 4.33Å; W393-V461 HydrophobicContact CE3-CG2 3.98Å; W393-V461 HydrophobicContact CG-CG2 4.39Å; W393-L486 HydrophobicContact CE3-CD1 4.32Å; W393-L486 HydrophobicContact CE3-CD2 4.45Å; W393-L486 HydrophobicContact CZ3-CD1 4.23Å; W393-L486 HydrophobicContact CZ3-CD2 4.22Å; W393-L486 HydrophobicContact CZ3-CG 4.12Å; W393-F487 HydrophobicContact CH2-CD1 4.33Å; W393-F487 AromaticContact CH2-CE1 3.62Å; W393-F487 HydrophobicContact CH2-CE1 3.62Å; W393-F487 HydrophobicContact CH2-CZ 4.06Å; W393-F487 AromaticContact CZ3-CE1 3.81Å; W393-F487 HydrophobicContact CZ3-CE1 3.81Å; W393-F487 AromaticContact CZ3-CZ 3.76Å; W393-F487 HydrophobicContact CZ3-CZ 3.76Å; W393-L502 HydrophobicContact CD2-CD1 4.45Å; W393-L502 HydrophobicContact CE3-CD1 4.25Å; W393-L502 HydrophobicContact CH2-CD1 3.57Å; W393-L502 HydrophobicContact CZ2-CD1 3.78Å; W393-L502 HydrophobicContact CZ3-CD1 3.82Å
394E98.1Very high98.1Very high55 Ų5532.8 Ų32.826%0.25716%0.161SC..Hα-helixtrans-59.7-53.3172.1-170-178.291.600110.6T388 S390 E391 A396 C397 V398 P410T388-E394 HydrophobicContact CG2-CB 3.61Å; T388-E394 HydrophobicContact CG2-CG 4.38Å; S390-E394 PolarHBondContact O-N 2.83Å; E391-E394 WeakPolarHBondContact O-CB 3.38Å; E391-E394 PolarHBondContact O-N 3.13Å; E394-A396 VanDerWaalsContact C-N 3.28Å; E394-A396 PolarHBondContact O-N 3.29Å; E394-C397 PolarHBondContact O-N 3.03Å; E394-V398 PolarHBondContact O-N 3.21Å; E394-P410 HydrophobicContact CG-CB 3.55Å; E394-P410 HydrophobicContact CG-CG 4.32Å; E394-P410 WeakPolarHBondContact OE2-CB 3.4Å
395G97.9Very high98Very high22 Ų2232.9 Ų32.923%0.22716%0.162CC..Hα-helixtrans-62-36.5176.100000112.6E391 V398 R399E391-G395 PolarHBondContact O-N 3.23Å; G395-V398 PolarHBondContact O-N 3.3Å; G395-R399 WeakPolarHBondContact O-CG 3.47Å; G395-R399 PolarHBondContact O-N 3.5Å; G395-R399 VanDerWaalsContact O-N 3.11Å; G395-R399 PolarHBondContact O-NH1 3.26Å
396A98.3Very high98Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-62.5-47.8175.800000111.7Q392 W393 E394 V398 R399 A400 L486 P501 L502Q392-A396 WeakPolarHBondContact O-CB 3.45Å; Q392-A396 PolarHBondContact O-N 3Å; W393-A396 PolarHBondContact O-N 3.38Å; E394-A396 VanDerWaalsContact C-N 3.28Å; E394-A396 PolarHBondContact O-N 3.29Å; A396-V398 VanDerWaalsContact C-N 3.33Å; A396-V398 PolarHBondContact O-N 3.32Å; A396-R399 PolarHBondContact O-N 3.02Å; A396-A400 WeakPolarHBondContact O-CB 3.43Å; A396-A400 PolarHBondContact O-N 3.33Å; A396-L486 HydrophobicContact CB-CD1 3.84Å; A396-P501 HydrophobicContact CB-CB 4.19Å; A396-P501 HydrophobicContact CB-CG 3.81Å; A396-P501 VanDerWaalsContact O-CG 3.27Å; A396-P501 WeakPolarHBondContact O-CG 3.2Å; A396-L502 HydrophobicContact CB-CD2 3.75Å; A396-L502 HydrophobicContact CB-CG 3.98Å
397C98.6Very high98Very high0 Ų033 Ų330%016%0.163CC..Hα-helixtrans-56.5-44.1177.3-75.60000112.5V386 W393 E394 A400 G401V386-C397 HydrophobicContact CB-CB 4.36Å; V386-C397 HydrophobicContact CG1-CB 4.13Å; V386-C397 HydrophobicContact CG2-CB 4.09Å; W393-C397 WeakPolarHBondContact O-CB 3.39Å; W393-C397 PolarHBondContact O-N 2.86Å; W393-C397 PolarHBondContact O-SG 2.99Å; E394-C397 PolarHBondContact O-N 3.03Å; C397-A400 PolarHBondContact O-N 2.81Å; C397-G401 PolarHBondContact O-N 3.39Å
398V98.4Very high98Very high27 Ų2733.2 Ų33.216%0.16417%0.165CC..Hα-helixtrans-64-43.7177.8177.70000111.4E394 G395 A396 G401 R402E394-V398 PolarHBondContact O-N 3.21Å; G395-V398 PolarHBondContact O-N 3.3Å; A396-V398 VanDerWaalsContact C-N 3.33Å; A396-V398 PolarHBondContact O-N 3.32Å; V398-G401 PolarHBondContact O-N 3.13Å; V398-R402 WeakPolarHBondContact O-CG 3.34Å; V398-R402 PolarHBondContact O-N 3.16Å; V398-R402 VanDerWaalsContact O-N 3.08Å
399R98.3Very high98Very high106 Ų10636.1 Ų36.140%0.418%0.178SC..Hα-helixtrans-67.2-44.4177.7-71.2-169.5-57.5-86.11.7112G395 A396 G401 R402 S403 P501G395-R399 WeakPolarHBondContact O-CG 3.47Å; G395-R399 PolarHBondContact O-N 3.5Å; G395-R399 VanDerWaalsContact O-N 3.11Å; G395-R399 PolarHBondContact O-NH1 3.26Å; A396-R399 PolarHBondContact O-N 3.02Å; R399-G401 VanDerWaalsContact C-N 3.3Å; R399-G401 PolarHBondContact O-N 3.31Å; R399-R402 PolarHBondContact O-N 3.41Å; R399-S403 PolarHBondContact O-N 2.82Å; R399-S403 PolarHBondContact O-OG 2.62Å; R399-P501 HydrophobicContact CB-CB 3.57Å; R399-P501 PolarHBondContact NH2-O 3.07Å; R399-P501 VanDerWaalsContact NH2-O 3.13Å
400A98.4Very high98.1Very high0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-56.9-45.2172.900000110.7A396 C397 R402 S403 S404 L482 A485 L486 P501A396-A400 WeakPolarHBondContact O-CB 3.43Å; A396-A400 PolarHBondContact O-N 3.33Å; C397-A400 PolarHBondContact O-N 2.81Å; A400-R402 VanDerWaalsContact C-N 3.33Å; A400-R402 PolarHBondContact O-N 3.33Å; A400-S403 WeakPolarHBondContact CA-OG 3.49Å; A400-S403 PolarHBondContact O-N 3.42Å; A400-S403 PolarHBondContact O-OG 3.05Å; A400-S404 VanDerWaalsContact O-CB 3.29Å; A400-S404 WeakPolarHBondContact O-CB 3.37Å; A400-S404 PolarHBondContact O-N 3.28Å; A400-S404 PolarHBondContact O-OG 2.93Å; A400-L482 HydrophobicContact CB-CD1 3.77Å; A400-A485 HydrophobicContact CB-CB 4.24Å; A400-L486 HydrophobicContact CB-CB 3.91Å; A400-L486 HydrophobicContact CB-CD1 4.2Å; A400-P501 HydrophobicContact CB-CG 3.92Å
401G98.3Very high98.1Very high0 Ų035.3 Ų35.30%017%0.173CC..Hα-helixtrans-61.3-39.4178.200000113.3C397 V398 R399 S404 G405 D406C397-G401 PolarHBondContact O-N 3.39Å; V398-G401 PolarHBondContact O-N 3.13Å; R399-G401 VanDerWaalsContact C-N 3.3Å; R399-G401 PolarHBondContact O-N 3.31Å; G401-S404 PolarHBondContact O-OG 3Å; G401-G405 CarbonylContact O-C 3.57Å; G401-G405 WeakPolarHBondContact O-CA 3.21Å; G401-G405 PolarHBondContact O-N 3.14Å; G401-D406 WeakPolarHBondContact CA-O 3.41Å; G401-D406 PolarHBondContact O-N 3.36Å
402R97.8Very high98.1Very high48 Ų4831.3 Ų31.318%0.18116%0.161CC..Hα-helixtrans-68.2-41.8175.2-69.517767.3-170.5-2.3112.9R85 N87 S88 V398 R399 A400R85-R402 WeakPolarHBondContact O-CD 3.49Å; R85-R402 PolarHBondContact O-NE 3.04Å; R85-R402 VanDerWaalsContact O-NE 3.11Å; R85-R402 PolarHBondContact O-NH1 3.11Å; R85-R402 VanDerWaalsContact O-NH1 3.16Å; N87-R402 PolarHBondContact O-NE 3.25Å; S88-R402 WeakPolarHBondContact CA-O 3.24Å; S88-R402 WeakPolarHBondContact CB-O 3.37Å; S88-R402 PolarHBondContact OG-O 3.45Å; V398-R402 WeakPolarHBondContact O-CG 3.34Å; V398-R402 PolarHBondContact O-N 3.16Å; V398-R402 VanDerWaalsContact O-N 3.08Å; R399-R402 PolarHBondContact O-N 3.41Å; A400-R402 VanDerWaalsContact C-N 3.33Å; A400-R402 PolarHBondContact O-N 3.33Å
403S97.1Very high98.2Very high29 Ų2928.4 Ų28.420%0.20315%0.145CC..Hα-helixtrans-74-25.4-178.969.20000114.1A122 R399 A400 V499A122-S403 WeakPolarHBondContact CB-O 3.4Å; R399-S403 PolarHBondContact O-N 2.82Å; R399-S403 PolarHBondContact O-OG 2.62Å; A400-S403 WeakPolarHBondContact CA-OG 3.49Å; A400-S403 PolarHBondContact O-N 3.42Å; A400-S403 PolarHBondContact O-OG 3.05Å; S403-V499 PolarHBondContact OG-O 2.83Å; S403-V499 VanDerWaalsContact OG-O 3.05Å
404S98.1Very high98.2Very high1 Ų128.2 Ų28.21%0.00715%0.146CC..Hα-helixtrans-99.5-21.8179.762.90000113.6A122 A400 G401 D406 A481A122-S404 WeakPolarHBondContact CA-O 3.44Å; A400-S404 VanDerWaalsContact O-CB 3.29Å; A400-S404 WeakPolarHBondContact O-CB 3.37Å; A400-S404 PolarHBondContact O-N 3.28Å; A400-S404 PolarHBondContact O-OG 2.93Å; G401-S404 PolarHBondContact O-OG 3Å; S404-D406 VanDerWaalsContact C-N 3.29Å; S404-D406 PolarHBondContact OG-N 3.37Å; S404-A481 VanDerWaalsContact CB-O 3.27Å; S404-A481 WeakPolarHBondContact CB-O 3.01Å
405G97.7Very high98.2Very high2 Ų226.4 Ų26.42%0.02114%0.139CC..SBendtrans84.2-6.6-171.900000115V92 G401 L407V92-G405 WeakPolarHBondContact CG2-O 3.38Å; G401-G405 CarbonylContact O-C 3.57Å; G401-G405 WeakPolarHBondContact O-CA 3.21Å; G401-G405 PolarHBondContact O-N 3.14Å; G405-L407 VanDerWaalsContact C-N 3.35Å; G405-L407 PolarHBondContact O-N 3.12Å
406D98.7Very high98.2Very high2 Ų232.5 Ų32.51%0.01116%0.162CC..  trans-86.778.5168.8-82.9-16.8000109.3R129 G401 S404 F478 G479 A481 L482R129-D406 IonicContact CZ-OD1 2.86Å; R129-D406 IonicContact CZ-OD2 3.25Å; R129-D406 IonicContact NH1-OD1 2.71Å; R129-D406 PolarHBondContact NH1-OD1 2.94Å; R129-D406 IonicContact NH2-OD1 3.64Å; R129-D406 PolarHBondContact NH2-OD1 3.09Å; R129-D406 IonicContact NH2-OD2 2.63Å; R129-D406 PolarHBondContact NH2-OD2 3.27Å; G401-D406 WeakPolarHBondContact CA-O 3.41Å; G401-D406 PolarHBondContact O-N 3.36Å; S404-D406 VanDerWaalsContact C-N 3.29Å; S404-D406 PolarHBondContact OG-N 3.37Å; D406-F478 VanDerWaalsContact C-CE2 3.5Å; D406-F478 VanDerWaalsContact CA-CE2 3.49Å; D406-F478 HydrophobicContact CB-CD2 3.94Å; D406-F478 HydrophobicContact CB-CE1 4.29Å; D406-F478 HydrophobicContact CB-CE2 3.61Å; D406-F478 HydrophobicContact CB-CG 4.43Å; D406-F478 HydrophobicContact CB-CZ 3.77Å; D406-F478 VanDerWaalsContact OD1-CD2 3.23Å; D406-F478 WeakPolarHBondContact OD1-CD2 3.26Å; D406-G479 PolarHBondContact OD2-N 2.98Å; D406-A481 PolarHBondContact OD2-N 2.57Å; D406-L482 HydrophobicContact CB-CB 3.74Å
407L98.7Very high98.1Very high2 Ų238 Ų381%0.0119%0.19CC..  trans-59.7146-168.4-52175.1000112.8N87 H383 A384 G405 F478N87-L407 WeakPolarHBondContact OD1-CD1 3.21Å; H383-L407 CarbonylContact C-O 3.58Å; H383-L407 WeakPolarHBondContact CA-O 3.19Å; A384-L407 PolarHBondContact N-O 2.85Å; G405-L407 VanDerWaalsContact C-N 3.35Å; G405-L407 PolarHBondContact O-N 3.12Å; L407-F478 WeakPolarHBondContact O-CZ 3.19Å
408A98.6Very high98.1Very high4 Ų438.7 Ų38.73%0.03319%0.194CC..EExtended strand (participates in β ladder)trans-134150.9177.300000110.8A384 V386A384-A408 CarbonylContact O-C 3.52Å; A384-A408 WeakPolarHBondContact O-CA 3.23Å; V386-A408 HydrophobicContact CG1-CB 3.8Å
409H98.6Very high98.1Very high66 Ų6639.8 Ų39.831%0.30620%0.196SC..EExtended strand (participates in β ladder)trans-141.3138.5172.4-167.9-76.9000110.3H86 T379 H383 A384 A385 V386H86-H409 AromaticContact CE1-CD2 3.95Å; H86-H409 AromaticContact CE1-NE2 3.81Å; H86-H409 AromaticContact ND1-CD2 3.85Å; T379-H409 HydrophobicContact CG2-CB 3.93Å; H383-H409 HydrophobicContact CB-CB 4.25Å; A384-H409 PolarHBondContact O-N 2.87Å; A385-H409 WeakPolarHBondContact CA-O 3.28Å; V386-H409 PolarHBondContact N-O 3.12Å
410P98.4Very high98Very high36 Ų3638.2 Ų38.223%0.23420%0.202CC..EExtended strand (participates in β ladder)trans-68.7146.8-177.927.7-36.2000113.3V386 E394V386-P410 HydrophobicContact CG2-CB 4.38Å; V386-P410 CarbonylContact O-C 3.3Å; V386-P410 WeakPolarHBondContact O-CA 3.3Å; E394-P410 HydrophobicContact CG-CB 3.55Å; E394-P410 HydrophobicContact CG-CG 4.32Å; E394-P410 WeakPolarHBondContact OE2-CB 3.4Å
411L98.3Very high98Very high19 Ų1939.5 Ų39.510%0.09921%0.207CC..PPolyproline II helixtrans-97.7166.7161.8-63.2179.5000109.8T379 A385 V386 M387 Y413 S442T379-L411 HydrophobicContact CG2-CD2 4.26Å; A385-L411 HydrophobicContact CB-CD1 3.74Å; A385-L411 HydrophobicContact CB-CD2 3.76Å; A385-L411 HydrophobicContact CB-CG 3.66Å; V386-L411 PolarHBondContact O-N 3.42Å; M387-L411 HydrophobicContact CB-CB 4.28Å; L411-Y413 PolarHBondContact O-N 2.84Å; L411-S442 WeakPolarHBondContact CB-OG 3.45Å
412V97.9Very high98.1Very high89 Ų8939.6 Ų39.654%0.53921%0.208SC..PPolyproline II helixtrans-72.3121.8175.1-176.50000110C414 S442V412-C414 HydrophobicContact CG1-CB 3.95Å; V412-S442 PolarHBondContact N-OG 3.09Å; V412-S442 VanDerWaalsContact O-CB 3.24Å; V412-S442 WeakPolarHBondContact O-CB 3.35Å; V412-S442 PolarHBondContact O-OG 2.7Å
413Y98.2Very high98.1Very high70 Ų7042 Ų4228%0.27523%0.228SC..  trans-95.7105.3166.3-177.9-96000109.5M387 T388 N389 L411 P415 L446 W460M387-Y413 HydrophobicContact CE-CD2 4.48Å; M387-Y413 HydrophobicContact CG-CD2 3.91Å; M387-Y413 HydrophobicContact CG-CG 4.47Å; M387-Y413 HydrophobicContact SD-CD2 4.2Å; T388-Y413 WeakPolarHBondContact O-CD2 3.45Å; T388-Y413 VanDerWaalsContact O-CG 3.25Å; N389-Y413 HydrophobicContact CB-CE1 4.37Å; N389-Y413 HydrophobicContact CB-CE2 4.26Å; L411-Y413 PolarHBondContact O-N 2.84Å; Y413-P415 HydrophobicContact CD1-CG 4.42Å; Y413-P415 HydrophobicContact CE1-CG 3.79Å; Y413-P415 HydrophobicContact CE2-CG 4.05Å; Y413-L446 HydrophobicContact CD2-CD2 4.11Å; Y413-L446 HydrophobicContact CE2-CD2 3.95Å; Y413-W460 HydrophobicContact CE2-CE3 4.47Å; Y413-W460 HydrophobicContact CE2-CZ3 4.01Å
414C97.9Very high98.2Very high15 Ų1541.6 Ų41.610%0.10123%0.225CC..  trans-152.373.5-179.9-168.50000110.2V412 E416 L417 H418V412-C414 HydrophobicContact CG1-CB 3.95Å; C414-E416 PolarHBondContact O-N 3.01Å; C414-E416 PolarHBondContact SG-OE1 3.02Å; C414-L417 PolarHBondContact O-N 2.82Å; C414-L417 VanDerWaalsContact SG-CD1 3.51Å; C414-L417 WeakPolarHBondContact SG-CG 3.47Å; C414-H418 WeakPolarHBondContact O-CB 3.36Å; C414-H418 PolarHBondContact O-N 2.82Å; C414-H418 VanDerWaalsContact O-N 3.14Å; C414-H418 PolarHBondContact O-ND1 3.1Å
415P98.1Very high98.2Very high17 Ų1746.4 Ų46.411%0.1127%0.265CS..Hα-helixtrans-52.1-38.8-177.6-24.432.1000113.6Y413 L417 H418 F419 L446 F454Y413-P415 HydrophobicContact CD1-CG 4.42Å; Y413-P415 HydrophobicContact CE1-CG 3.79Å; Y413-P415 HydrophobicContact CE2-CG 4.05Å; P415-L417 VanDerWaalsContact C-N 3.29Å; P415-L417 PolarHBondContact O-N 2.86Å; P415-H418 PolarHBondContact O-N 2.96Å; P415-F419 WeakPolarHBondContact O-CB 3.36Å; P415-F419 PolarHBondContact O-N 2.98Å; P415-L446 HydrophobicContact CB-CD2 4.15Å; P415-L446 HydrophobicContact CG-CD2 3.75Å; P415-F454 HydrophobicContact CB-CD1 4.04Å; P415-F454 HydrophobicContact CB-CD2 4.02Å; P415-F454 HydrophobicContact CB-CE1 4.03Å; P415-F454 HydrophobicContact CB-CE2 4Å; P415-F454 HydrophobicContact CB-CG 4.05Å; P415-F454 HydrophobicContact CB-CZ 4Å; P415-F454 HydrophobicContact CG-CD1 3.97Å; P415-F454 HydrophobicContact CG-CE1 4.16Å; P415-F454 HydrophobicContact CG-CG 4.28Å
416E97.2Very high98.2Very high150 Ų15051.1 Ų51.170%0.70129%0.293SS*.Hα-helixtrans-67.1-23.5-176.470-80.6-165.500114.4C414C414-E416 PolarHBondContact O-N 3.01Å; C414-E416 PolarHBondContact SG-OE1 3.02Å
417L97.5Very high98.2Very high114 Ų11451.7 Ų51.760%0.59730%0.299SS*.Hα-helixtrans-100.2-28.3176.3-65.4-176.5000113.2C414 P415C414-L417 PolarHBondContact O-N 2.82Å; C414-L417 VanDerWaalsContact SG-CD1 3.51Å; C414-L417 WeakPolarHBondContact SG-CG 3.47Å; P415-L417 VanDerWaalsContact C-N 3.29Å; P415-L417 PolarHBondContact O-N 2.86Å
418H97.9Very high98.2Very high16 Ų1656.4 Ų56.47%0.07432%0.324CS..Hα-helixtrans-106.1-24.7-168.5-62.5156.6000113.5C414 P415 S420 E421 L446C414-H418 WeakPolarHBondContact O-CB 3.36Å; C414-H418 PolarHBondContact O-N 2.82Å; C414-H418 VanDerWaalsContact O-N 3.14Å; C414-H418 PolarHBondContact O-ND1 3.1Å; P415-H418 PolarHBondContact O-N 2.96Å; H418-S420 VanDerWaalsContact C-N 3.3Å; H418-S420 PolarHBondContact O-N 3.14Å; H418-E421 VanDerWaalsContact O-CB 3.28Å; H418-E421 WeakPolarHBondContact O-CB 3.48Å; H418-E421 VanDerWaalsContact O-CG 3.3Å; H418-E421 WeakPolarHBondContact O-CG 3.39Å; H418-E421 PolarHBondContact O-N 2.85Å; H418-L446 HydrophobicContact CB-CD1 3.48Å; H418-L446 VanDerWaalsContact CB-CD1 3.48Å
419F97.9Very high98.2Very high49 Ų4956.4 Ų56.422%0.21532%0.323CS..G310 helixtrans-72.7-23.4-174.3-167-110.5000113.3P415 E421 F422 M429 S450 F454P415-F419 WeakPolarHBondContact O-CB 3.36Å; P415-F419 PolarHBondContact O-N 2.98Å; F419-E421 PolarHBondContact O-N 3.01Å; F419-E421 VanDerWaalsContact O-N 3.11Å; F419-F422 AromaticContact CD2-CD2 3.8Å; F419-F422 HydrophobicContact CD2-CD2 3.8Å; F419-F422 HydrophobicContact CD2-CE2 4.41Å; F419-F422 AromaticContact CE2-CD2 3.96Å; F419-F422 HydrophobicContact CE2-CD2 3.96Å; F419-F422 PolarHBondContact O-N 3.12Å; F419-F422 VanDerWaalsContact O-N 3.07Å; F419-M429 HydrophobicContact CE2-SD 4.44Å; F419-M429 HydrophobicContact CZ-CE 3.91Å; F419-M429 HydrophobicContact CZ-SD 4.05Å; F419-S450 WeakPolarHBondContact CE2-OG 3.27Å; F419-S450 VanDerWaalsContact CZ-CB 3.45Å; F419-F454 HydrophobicContact CB-CE2 4.24Å; F419-F454 HydrophobicContact CB-CZ 4.39Å; F419-F454 HydrophobicContact CD1-CE2 4.03Å; F419-F454 AromaticContact CD2-CE2 3.93Å; F419-F454 HydrophobicContact CD2-CE2 3.93Å; F419-F454 AromaticContact CD2-CZ 3.66Å; F419-F454 HydrophobicContact CD2-CZ 3.66Å; F419-F454 HydrophobicContact CE1-CE2 4.39Å; F419-F454 HydrophobicContact CE2-CE2 4.31Å; F419-F454 HydrophobicContact CE2-CZ 4.07Å; F419-F454 AromaticContact CG-CE2 3.78Å; F419-F454 HydrophobicContact CG-CE2 3.78Å; F419-F454 AromaticContact CG-CZ 3.96Å; F419-F454 HydrophobicContact CG-CZ 3.96Å
420S97.8Very high98.3Very high74 Ų7456 Ų5652%0.51732%0.321SS..G310 helixtrans-60.1-2017451.60000113.5H418 F422 T423H418-S420 VanDerWaalsContact C-N 3.3Å; H418-S420 PolarHBondContact O-N 3.14Å; S420-F422 PolarHBondContact O-N 2.66Å; S420-F422 VanDerWaalsContact O-N 3.11Å; S420-T423 PolarHBondContact O-N 3.33Å; S420-T423 VanDerWaalsContact O-N 3.13Å; S420-T423 PolarHBondContact O-OG1 2.84Å
421E98.4Very high98.3Very high26 Ų2654.3 Ų54.312%0.12131%0.309CS..G310 helixtrans-58.3-19.8172.9-69.1-60.8152.200113.5H418 F419 V433 A434 D435 N438H418-E421 VanDerWaalsContact O-CB 3.28Å; H418-E421 WeakPolarHBondContact O-CB 3.48Å; H418-E421 VanDerWaalsContact O-CG 3.3Å; H418-E421 WeakPolarHBondContact O-CG 3.39Å; H418-E421 PolarHBondContact O-N 2.85Å; F419-E421 PolarHBondContact O-N 3.01Å; F419-E421 VanDerWaalsContact O-N 3.11Å; E421-V433 HydrophobicContact CB-CB 3.96Å; E421-V433 HydrophobicContact CB-CG1 3.85Å; E421-V433 HydrophobicContact CG-CB 4.49Å; E421-V433 HydrophobicContact CG-CG1 4.43Å; E421-A434 PolarHBondContact O-N 2.66Å; E421-A434 VanDerWaalsContact O-N 3.12Å; E421-A434 PolarHBondContact OE2-N 2.72Å; E421-D435 PolarHBondContact OE2-N 3.49Å; E421-N438 PolarHBondContact OE1-ND2 2.81Å
422F98.6Very high98.3Very high2 Ų253.8 Ų53.81%0.00931%0.307CS..G310 helixtrans-100.117.3179.7-59.5-67.1000113.8F419 S420 S424 M429 K430 N431 V433 C443 F447F419-F422 AromaticContact CD2-CD2 3.8Å; F419-F422 HydrophobicContact CD2-CD2 3.8Å; F419-F422 HydrophobicContact CD2-CE2 4.41Å; F419-F422 AromaticContact CE2-CD2 3.96Å; F419-F422 HydrophobicContact CE2-CD2 3.96Å; F419-F422 PolarHBondContact O-N 3.12Å; F419-F422 VanDerWaalsContact O-N 3.07Å; S420-F422 PolarHBondContact O-N 2.66Å; S420-F422 VanDerWaalsContact O-N 3.11Å; F422-S424 PolarHBondContact O-N 3.44Å; F422-M429 HydrophobicContact CB-CB 4.07Å; F422-M429 CarbonylContact O-C 3.41Å; F422-M429 WeakPolarHBondContact O-CA 3.27Å; F422-K430 WeakPolarHBondContact CD1-O 3.1Å; F422-K430 PolarHBondContact O-N 3.48Å; F422-N431 WeakPolarHBondContact CE1-O 3.4Å; F422-V433 HydrophobicContact CE1-CG1 3.79Å; F422-V433 HydrophobicContact CE2-CG1 4.46Å; F422-V433 HydrophobicContact CZ-CG1 3.73Å; F422-C443 HydrophobicContact CE2-CB 3.91Å; F422-C443 WeakPolarHBondContact CE2-O 3.47Å; F422-C443 HydrophobicContact CZ-CB 3.79Å; F422-C443 WeakPolarHBondContact CZ-O 3.41Å; F422-F447 HydrophobicContact CD1-CD2 4.25Å; F422-F447 HydrophobicContact CE1-CB 4.4Å; F422-F447 HydrophobicContact CE1-CD2 4.23Å; F422-F447 HydrophobicContact CE2-CB 4.12Å; F422-F447 HydrophobicContact CZ-CB 3.92Å
423T98.4Very high98.3Very high99 Ų9950 Ų5061%0.60728%0.284SS*.  trans-58.7127.5-179.5-59.10000111.6S420S420-T423 PolarHBondContact O-N 3.33Å; S420-T423 VanDerWaalsContact O-N 3.13Å; S420-T423 PolarHBondContact O-OG1 2.84Å
424S98.6Very high98.2Very high20 Ų2050.9 Ų50.914%0.1431%0.306CS..  trans-114.9150169.9175.50000109.9E337 F422 V426 A427E337-S424 VanDerWaalsContact OE2-CB 3.32Å; E337-S424 WeakPolarHBondContact OE2-CB 3.46Å; E337-S424 PolarHBondContact OE2-OG 3.2Å; F422-S424 PolarHBondContact O-N 3.44Å; S424-V426 PolarHBondContact OG-N 3.32Å; S424-V426 VanDerWaalsContact OG-N 3.09Å; S424-A427 WeakPolarHBondContact CB-O 3.37Å; S424-A427 PolarHBondContact OG-N 2.77Å
425A98.4Very high98.2Very high102 Ų10253.7 Ų53.784%0.84332%0.32SS*.SBendtrans-88.1-13.6172.500000112.9
426V98.6Very high98Very high101 Ų10159.8 Ų59.861%0.61234%0.341SS*.SBendtrans-134.6-8.1-166.6-64.20000114.2I327 E337 S424I327-V426 HydrophobicContact CD1-CB 4.28Å; I327-V426 HydrophobicContact CD1-CG2 3.83Å; E337-V426 HydrophobicContact CG-CG2 4.35Å; S424-V426 PolarHBondContact OG-N 3.32Å; S424-V426 VanDerWaalsContact OG-N 3.09Å
427A98.8Very high98Very high15 Ų1561.4 Ų61.412%0.12435%0.349CS..SBendtrans-136.2174.4176.100000109.9I327 E337 S424 M429I327-A427 HydrophobicContact CD1-CB 4.41Å; I327-A427 HydrophobicContact CG2-CB 4.07Å; E337-A427 HydrophobicContact CB-CB 3.91Å; S424-A427 WeakPolarHBondContact CB-O 3.37Å; S424-A427 PolarHBondContact OG-N 2.77Å; A427-M429 PolarHBondContact O-N 2.94Å
428D98.8Very high98Very high101 Ų10158.4 Ų58.454%0.5433%0.333SS..SBendtrans-65.1-30.6176.5-60.1-54.5000111.9K334 T335K334-D428 WeakPolarHBondContact CA-OD2 3.49Å; K334-D428 HydrophobicContact CB-CB 4.44Å; T335-D428 PolarHBondContact N-OD2 2.88Å; T335-D428 WeakPolarHBondContact O-CB 3.3Å; T335-D428 PolarHBondContact O-N 3.19Å; T335-D428 VanDerWaalsContact O-N 3.15Å; T335-D428 PolarHBondContact OG1-N 3.1Å; T335-D428 PolarHBondContact OG1-OD2 2.85Å
429M98.8Very high97.9Very high3 Ų359.4 Ų59.42%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-161.9167.8176.966.4-167.777.300113.3K334 T335 V336 E337 F419 F422 A427 F447K334-M429 HydrophobicContact CB-CE 4.44Å; K334-M429 HydrophobicContact CD-CE 3.67Å; T335-M429 PolarHBondContact O-N 2.67Å; V336-M429 CarbonylContact C-O 3.54Å; V336-M429 VanDerWaalsContact CA-O 3.3Å; V336-M429 WeakPolarHBondContact CA-O 3.48Å; V336-M429 HydrophobicContact CB-CG 4.5Å; V336-M429 HydrophobicContact CG1-CG 4.31Å; V336-M429 HydrophobicContact CG2-CG 3.91Å; V336-M429 HydrophobicContact CG2-SD 4.39Å; E337-M429 PolarHBondContact N-O 3.18Å; F419-M429 HydrophobicContact CE2-SD 4.44Å; F419-M429 HydrophobicContact CZ-CE 3.91Å; F419-M429 HydrophobicContact CZ-SD 4.05Å; F422-M429 HydrophobicContact CB-CB 4.07Å; F422-M429 CarbonylContact O-C 3.41Å; F422-M429 WeakPolarHBondContact O-CA 3.27Å; A427-M429 PolarHBondContact O-N 2.94Å; M429-F447 HydrophobicContact CG-CE2 4.01Å; M429-F447 HydrophobicContact SD-CD2 3.98Å; M429-F447 HydrophobicContact SD-CE2 3.69Å; M429-F447 HydrophobicContact SD-CZ 4.34Å
430K98.9Very high97.9Very high59 Ų5958.5 Ų58.526%0.25734%0.34SS..EExtended strand (participates in β ladder)trans-94.4160.5164.1-73.3-179.5174.7179.70111.4E337 N339 F422 F447E337-K430 HydrophobicContact CB-CG 4.14Å; E337-K430 HydrophobicContact CG-CG 4.41Å; E337-K430 VanDerWaalsContact O-CA 3.24Å; E337-K430 WeakPolarHBondContact O-CA 3.46Å; E337-K430 VanDerWaalsContact OE1-CE 3.27Å; E337-K430 WeakPolarHBondContact OE1-CE 3.1Å; E337-K430 IonicContact OE1-NZ 3.72Å; E337-K430 WeakPolarHBondContact OE2-CE 3.38Å; E337-K430 IonicContact OE2-NZ 3.96Å; N339-K430 HydrophobicContact CB-CD 4.24Å; F422-K430 WeakPolarHBondContact CD1-O 3.1Å; F422-K430 PolarHBondContact O-N 3.48Å; K430-F447 WeakPolarHBondContact O-CE2 3.5Å
431N98.7Very high97.9Very high0 Ų055 Ų550%032%0.316CS..SBendtrans-88.7-2317881.4-48.7000114.7V336 E337 I338 N339 N340 A343 R346 L347 F422 F447V336-N431 HydrophobicContact CG1-CB 3.79Å; E337-N431 PolarHBondContact O-N 3Å; I338-N431 WeakPolarHBondContact CA-OD1 3.5Å; I338-N431 HydrophobicContact CD1-CB 4.16Å; N339-N431 PolarHBondContact N-OD1 3.16Å; N339-N431 PolarHBondContact OD1-OD1 3.42Å; N340-N431 PolarHBondContact N-OD1 3.37Å; N340-N431 PolarHBondContact O-ND2 2.9Å; N340-N431 PolarHBondContact O-OD1 2.86Å; A343-N431 WeakPolarHBondContact CB-ND2 3.38Å; A343-N431 PolarHBondContact O-ND2 2.92Å; R346-N431 WeakPolarHBondContact CD-O 3.45Å; R346-N431 PolarHBondContact NH1-O 3.33Å; L347-N431 HydrophobicContact CD2-CB 3.89Å; L347-N431 HydrophobicContact CG-CB 4.44Å; F422-N431 WeakPolarHBondContact CE1-O 3.4Å; N431-F447 HydrophobicContact CB-CE2 4.01Å; N431-F447 HydrophobicContact CB-CZ 4.24Å
432S98.6Very high97.9Very high8 Ų854 Ų546%0.05631%0.312CS..SBendtrans-119143.3175.4-176.70000111.8N339N339-S432 PolarHBondContact ND2-O 3.14Å; N339-S432 WeakPolarHBondContact OD1-CA 3.33Å; N339-S432 VanDerWaalsContact OD1-CB 3.28Å; N339-S432 WeakPolarHBondContact OD1-CB 3.44Å; N339-S432 PolarHBondContact OD1-N 3.35Å; N339-S432 PolarHBondContact OD1-O 3.23Å
433V98.1Very high97.9Very high8 Ų853.9 Ų53.95%0.04831%0.311CS..  trans-57.4149.1178.8-62.50000112.3E421 F422 D435 R436 Q440 C443E421-V433 HydrophobicContact CB-CB 3.96Å; E421-V433 HydrophobicContact CB-CG1 3.85Å; E421-V433 HydrophobicContact CG-CB 4.49Å; E421-V433 HydrophobicContact CG-CG1 4.43Å; F422-V433 HydrophobicContact CE1-CG1 3.79Å; F422-V433 HydrophobicContact CE2-CG1 4.46Å; F422-V433 HydrophobicContact CZ-CG1 3.73Å; V433-D435 VanDerWaalsContact CG2-O 3.28Å; V433-D435 WeakPolarHBondContact CG2-O 3.42Å; V433-R436 HydrophobicContact CG2-CG 4.09Å; V433-Q440 HydrophobicContact CG2-CG 4.28Å; V433-C443 HydrophobicContact CG1-CB 3.33Å
434A96.9Very high98Very high90 Ų9049.1 Ų49.174%0.74428%0.282SS*.SBendtrans-73.8-45.117200000111.2E421E421-A434 PolarHBondContact O-N 2.66Å; E421-A434 VanDerWaalsContact O-N 3.12Å; E421-A434 PolarHBondContact OE2-N 2.72Å
435D97Very high98Very high74 Ų7448.2 Ų48.240%0.39628%0.276SS..  trans-106.1118.7173.4-172.7-1000111.2E421 V433 E437 N438E421-D435 PolarHBondContact OE2-N 3.49Å; V433-D435 VanDerWaalsContact CG2-O 3.28Å; V433-D435 WeakPolarHBondContact CG2-O 3.42Å; D435-E437 VanDerWaalsContact C-N 3.32Å; D435-E437 PolarHBondContact OD1-N 3.08Å; D435-N438 HydrophobicContact CB-CB 4.12Å
436R94.7Very high98Very high144 Ų14443.3 Ų43.354%0.54324%0.235SC..SBendtrans-80.6-13.9179.1-62.5-179.366.31121.1112.9V433 Q440V433-R436 HydrophobicContact CG2-CG 4.09Å; R436-Q440 WeakPolarHBondContact O-CB 3.22Å
437E96.1Very high98Very high185 Ų18538.5 Ų38.586%0.86421%0.206SC*.THydrogen-bonded Turntrans-89.6-8.9178.5-57.4-167.7151.300112.1D435 A439D435-E437 VanDerWaalsContact C-N 3.32Å; D435-E437 PolarHBondContact OD1-N 3.08Å; E437-A439 PolarHBondContact O-N 2.93Å
438N97.2Very high98Very high51 Ų5137.8 Ų37.827%0.27320%0.2SC..THydrogen-bonded Turntrans-9480.5178.8-167.218.7000112.1E421 D435 Q440 C443E421-N438 PolarHBondContact OE1-ND2 2.81Å; D435-N438 HydrophobicContact CB-CB 4.12Å; N438-Q440 PolarHBondContact O-N 3.17Å; N438-C443 PolarHBondContact O-SG 3.13Å
439A97.3Very high98Very high36 Ų3633 Ų3330%0.29818%0.175SC..THydrogen-bonded Turntrans51.444.9172.900000114.8E437 S441 S442 C443E437-A439 PolarHBondContact O-N 2.93Å; A439-S441 VanDerWaalsContact C-N 3.28Å; A439-S441 PolarHBondContact O-N 2.89Å; A439-S442 WeakPolarHBondContact O-CA 3.4Å; A439-S442 WeakPolarHBondContact O-CB 3.41Å; A439-S442 PolarHBondContact O-N 3.15Å; A439-C443 PolarHBondContact O-N 3.37Å
440Q97.8Very high98Very high30 Ų3033 Ų3314%0.1418%0.175CC..Hα-helixtrans-48.9-40-170.3-174.3177.625.900115.3A374 V433 R436 N438 A444A374-Q440 HydrophobicContact CB-CB 3.87Å; A374-Q440 HydrophobicContact CB-CG 4.13Å; V433-Q440 HydrophobicContact CG2-CG 4.28Å; R436-Q440 WeakPolarHBondContact O-CB 3.22Å; N438-Q440 PolarHBondContact O-N 3.17Å; Q440-A444 WeakPolarHBondContact O-CB 3.48Å; Q440-A444 PolarHBondContact O-N 3.16Å
441S97.8Very high98Very high1 Ų130.6 Ų30.61%0.00717%0.165CC..Hα-helixtrans-68.6-38.9177.1-61.50000112.6T372 A374 Q375 A439 A444 G445T372-S441 PolarHBondContact OG1-OG 3.18Å; A374-S441 WeakPolarHBondContact CB-OG 3.27Å; Q375-S441 WeakPolarHBondContact CA-OG 3.32Å; Q375-S441 PolarHBondContact N-OG 2.92Å; A439-S441 VanDerWaalsContact C-N 3.28Å; A439-S441 PolarHBondContact O-N 2.89Å; S441-A444 PolarHBondContact O-N 2.96Å; S441-G445 PolarHBondContact O-N 3.08Å
442S98.7Very high98Very high4 Ų431.9 Ų31.93%0.02817%0.172CC..Hα-helixtrans-62.2-48.4173.1-67.60000110.5M387 L411 V412 A439 A444 G445 L446M387-S442 WeakPolarHBondContact CE-O 3.32Å; L411-S442 WeakPolarHBondContact CB-OG 3.45Å; V412-S442 PolarHBondContact N-OG 3.09Å; V412-S442 VanDerWaalsContact O-CB 3.24Å; V412-S442 WeakPolarHBondContact O-CB 3.35Å; V412-S442 PolarHBondContact O-OG 2.7Å; A439-S442 WeakPolarHBondContact O-CA 3.4Å; A439-S442 WeakPolarHBondContact O-CB 3.41Å; A439-S442 PolarHBondContact O-N 3.15Å; S442-A444 VanDerWaalsContact C-N 3.27Å; S442-A444 PolarHBondContact O-N 3.12Å; S442-G445 PolarHBondContact O-N 2.75Å; S442-G445 VanDerWaalsContact O-N 3.16Å; S442-L446 WeakPolarHBondContact O-CG 3.4Å; S442-L446 PolarHBondContact O-N 2.75Å
443C98.8Very high97.9Very high0 Ų032.3 Ų32.30%018%0.177CC..Hα-helixtrans-57.8-41.7178-61.60000111.6F422 V433 N438 A439 G445 L446 F447F422-C443 HydrophobicContact CE2-CB 3.91Å; F422-C443 WeakPolarHBondContact CE2-O 3.47Å; F422-C443 HydrophobicContact CZ-CB 3.79Å; F422-C443 WeakPolarHBondContact CZ-O 3.41Å; V433-C443 HydrophobicContact CG1-CB 3.33Å; N438-C443 PolarHBondContact O-SG 3.13Å; A439-C443 PolarHBondContact O-N 3.37Å; C443-G445 VanDerWaalsContact C-N 3.34Å; C443-G445 PolarHBondContact O-N 2.91Å; C443-L446 PolarHBondContact O-N 2.86Å; C443-L446 VanDerWaalsContact O-N 3.12Å; C443-F447 PolarHBondContact O-N 2.82Å
444A98.7Very high97.8Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-59.6-42.4177.700000113.1L371 T372 Q440 S441 S442L371-A444 HydrophobicContact CD2-CB 3.66Å; L371-A444 HydrophobicContact CG-CB 4.26Å; T372-A444 HydrophobicContact CG2-CB 3.42Å; T372-A444 VanDerWaalsContact CG2-CB 3.42Å; Q440-A444 WeakPolarHBondContact O-CB 3.48Å; Q440-A444 PolarHBondContact O-N 3.16Å; S441-A444 PolarHBondContact O-N 2.96Å; S442-A444 VanDerWaalsContact C-N 3.27Å; S442-A444 PolarHBondContact O-N 3.12Å
445G98.7Very high97.7Very high0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-65.5-44.817100000111.6M387 S441 S442 C443 F447 I448 G449 W460M387-G445 VanDerWaalsContact CE-C 3.49Å; S441-G445 PolarHBondContact O-N 3.08Å; S442-G445 PolarHBondContact O-N 2.75Å; S442-G445 VanDerWaalsContact O-N 3.16Å; C443-G445 VanDerWaalsContact C-N 3.34Å; C443-G445 PolarHBondContact O-N 2.91Å; G445-F447 PolarHBondContact O-N 3.03Å; G445-I448 WeakPolarHBondContact O-CA 3.11Å; G445-I448 VanDerWaalsContact O-CB 3.3Å; G445-I448 WeakPolarHBondContact O-CB 3.28Å; G445-I448 PolarHBondContact O-N 3.13Å; G445-G449 PolarHBondContact O-N 3.07Å; G445-W460 WeakPolarHBondContact O-CH2 3.47Å; G445-W460 VanDerWaalsContact O-CZ2 3.28Å; G445-W460 WeakPolarHBondContact O-CZ2 3.38Å
446L98.8Very high97.7Very high0 Ų036.6 Ų36.60%018%0.181CC..Hα-helixtrans-62.4-32.1-176.5-74.1173.9000112.2M387 Y413 P415 H418 S442 C443 I448 G449 S450 F454M387-L446 HydrophobicContact CE-CD2 4.04Å; M387-L446 HydrophobicContact CE-CG 3.89Å; M387-L446 HydrophobicContact SD-CD2 4.36Å; M387-L446 HydrophobicContact SD-CG 4.12Å; Y413-L446 HydrophobicContact CD2-CD2 4.11Å; Y413-L446 HydrophobicContact CE2-CD2 3.95Å; P415-L446 HydrophobicContact CB-CD2 4.15Å; P415-L446 HydrophobicContact CG-CD2 3.75Å; H418-L446 HydrophobicContact CB-CD1 3.48Å; H418-L446 VanDerWaalsContact CB-CD1 3.48Å; S442-L446 WeakPolarHBondContact O-CG 3.4Å; S442-L446 PolarHBondContact O-N 2.75Å; C443-L446 PolarHBondContact O-N 2.86Å; C443-L446 VanDerWaalsContact O-N 3.12Å; L446-I448 VanDerWaalsContact C-N 3.33Å; L446-I448 PolarHBondContact O-N 3.26Å; L446-G449 PolarHBondContact O-N 3.11Å; L446-S450 VanDerWaalsContact O-CB 3.3Å; L446-S450 WeakPolarHBondContact O-CB 3.5Å; L446-S450 PolarHBondContact O-N 3.12Å; L446-F454 HydrophobicContact CB-CZ 4.47Å; L446-F454 HydrophobicContact CD2-CE1 3.8Å; L446-F454 HydrophobicContact CD2-CZ 4.29Å
447F98.9Very high97.8Very high0 Ų035.8 Ų35.80%019%0.194CC..Hα-helixtrans-52.5-53.1168.5-179.9-83.5000110.5V336 R346 L347 A350 F422 M429 K430 N431 C443 G445 S450 H451V336-F447 HydrophobicContact CG1-CE2 3.84Å; V336-F447 HydrophobicContact CG1-CZ 3.84Å; V336-F447 HydrophobicContact CG2-CE2 4.35Å; V336-F447 HydrophobicContact CG2-CZ 3.99Å; R346-F447 HydrophobicContact CB-CD1 3.56Å; R346-F447 HydrophobicContact CB-CE1 4.12Å; R346-F447 HydrophobicContact CB-CG 4.28Å; R346-F447 HydrophobicContact CG-CD1 3.46Å; R346-F447 VanDerWaalsContact CG-CD1 3.46Å; R346-F447 HydrophobicContact CG-CE1 3.73Å; R346-F447 HydrophobicContact CG-CG 3.99Å; R346-F447 HydrophobicContact CG-CZ 4.45Å; R346-F447 WeakPolarHBondContact O-CE1 3.14Å; L347-F447 HydrophobicContact CD2-CE1 4.03Å; L347-F447 HydrophobicContact CD2-CZ 3.64Å; A350-F447 HydrophobicContact CB-CE1 4.12Å; F422-F447 HydrophobicContact CD1-CD2 4.25Å; F422-F447 HydrophobicContact CE1-CB 4.4Å; F422-F447 HydrophobicContact CE1-CD2 4.23Å; F422-F447 HydrophobicContact CE2-CB 4.12Å; F422-F447 HydrophobicContact CZ-CB 3.92Å; M429-F447 HydrophobicContact CG-CE2 4.01Å; M429-F447 HydrophobicContact SD-CD2 3.98Å; M429-F447 HydrophobicContact SD-CE2 3.69Å; M429-F447 HydrophobicContact SD-CZ 4.34Å; K430-F447 WeakPolarHBondContact O-CE2 3.5Å; N431-F447 HydrophobicContact CB-CE2 4.01Å; N431-F447 HydrophobicContact CB-CZ 4.24Å; C443-F447 PolarHBondContact O-N 2.82Å; G445-F447 PolarHBondContact O-N 3.03Å; F447-S450 WeakPolarHBondContact O-CB 3.46Å; F447-S450 PolarHBondContact O-N 2.83Å; F447-S450 PolarHBondContact O-OG 2.73Å; F447-H451 AromaticContact CE1-CD2 3.9Å; F447-H451 AromaticContact CE1-NE2 3.47Å; F447-H451 WeakPolarHBondContact CE1-NE2 3.26Å; F447-H451 AromaticContact CZ-NE2 3.45Å; F447-H451 WeakPolarHBondContact CZ-NE2 3.21Å; F447-H451 PolarHBondContact O-CD2 3.2Å
448I98.9Very high97.8Very high0 Ų027.6 Ų27.60%016%0.159CC..Hα-helixtrans-60.5-52.4179.6-56.2164.4000110.2R346 L349 V353 L371 G445 L446 S450 H451 W460R346-I448 HydrophobicContact CB-CD1 4.28Å; R346-I448 HydrophobicContact CB-CG1 3.86Å; L349-I448 HydrophobicContact CB-CD1 3.99Å; L349-I448 HydrophobicContact CB-CG1 4.15Å; L349-I448 HydrophobicContact CB-CG2 4.21Å; L349-I448 HydrophobicContact CD1-CD1 3.63Å; V353-I448 HydrophobicContact CB-CG2 4.45Å; V353-I448 HydrophobicContact CG1-CG2 3.81Å; V353-I448 HydrophobicContact CG2-CG2 3.78Å; L371-I448 HydrophobicContact CD2-CD1 3.91Å; G445-I448 WeakPolarHBondContact O-CA 3.11Å; G445-I448 VanDerWaalsContact O-CB 3.3Å; G445-I448 WeakPolarHBondContact O-CB 3.28Å; G445-I448 PolarHBondContact O-N 3.13Å; L446-I448 VanDerWaalsContact C-N 3.33Å; L446-I448 PolarHBondContact O-N 3.26Å; I448-S450 PolarHBondContact O-N 2.84Å; I448-H451 WeakPolarHBondContact O-CB 3.44Å; I448-H451 PolarHBondContact O-N 3.19Å; I448-W460 HydrophobicContact CB-CZ2 4.22Å; I448-W460 HydrophobicContact CG2-CZ2 4.42Å
449G98.5Very high97.9Very high1 Ų127.1 Ų27.11%0.0116%0.156CC..Hα-helixtrans-60-32.1-179.600000113.6G445 L446 H451 L452 G453 W460G445-G449 PolarHBondContact O-N 3.07Å; L446-G449 PolarHBondContact O-N 3.11Å; G449-H451 PolarHBondContact O-N 3.11Å; G449-L452 WeakPolarHBondContact O-CB 3.35Å; G449-L452 PolarHBondContact O-N 3.25Å; G449-L452 VanDerWaalsContact O-N 3.11Å; G449-G453 PolarHBondContact O-N 3.44Å; G449-W460 VanDerWaalsContact CA-CH2 3.48Å
450S98.7Very high98Very high1 Ų125.7 Ų25.71%0.00714%0.143CC..Hα-helixtrans-62.7-25.6177.782.70000112.9K334 F419 L446 F447 I448 L452 G453K334-S450 PolarHBondContact NZ-O 3.08Å; F419-S450 WeakPolarHBondContact CE2-OG 3.27Å; F419-S450 VanDerWaalsContact CZ-CB 3.45Å; L446-S450 VanDerWaalsContact O-CB 3.3Å; L446-S450 WeakPolarHBondContact O-CB 3.5Å; L446-S450 PolarHBondContact O-N 3.12Å; F447-S450 WeakPolarHBondContact O-CB 3.46Å; F447-S450 PolarHBondContact O-N 2.83Å; F447-S450 PolarHBondContact O-OG 2.73Å; I448-S450 PolarHBondContact O-N 2.84Å; S450-L452 VanDerWaalsContact C-N 3.34Å; S450-G453 PolarHBondContact O-N 2.96Å
451H98.8Very high98Very high10 Ų1024.3 Ų24.35%0.04614%0.137CC..Hα-helixtrans-76.6-21.6178.1-73.5-80.9000113.3L330 S332 A350 V354 F447 I448 G449L330-H451 WeakPolarHBondContact CD2-CE1 3.36Å; S332-H451 PolarHBondContact OG-ND1 2.97Å; A350-H451 HydrophobicContact CB-CB 4.06Å; A350-H451 WeakPolarHBondContact CB-CD2 3.47Å; V354-H451 HydrophobicContact CG2-CB 3.78Å; V354-H451 WeakPolarHBondContact CG2-O 3.39Å; F447-H451 AromaticContact CE1-CD2 3.9Å; F447-H451 AromaticContact CE1-NE2 3.47Å; F447-H451 WeakPolarHBondContact CE1-NE2 3.26Å; F447-H451 AromaticContact CZ-NE2 3.45Å; F447-H451 WeakPolarHBondContact CZ-NE2 3.21Å; F447-H451 PolarHBondContact O-CD2 3.2Å; I448-H451 WeakPolarHBondContact O-CB 3.44Å; I448-H451 PolarHBondContact O-N 3.19Å; G449-H451 PolarHBondContact O-N 3.11Å
452L98.4Very high98.1Very high27 Ų2724.3 Ų24.314%0.14114%0.136CC..Hα-helixtrans-76.7-33.6165.3-64.1172.7000111.4V353 I365 G449 S450 W456 W460V353-L452 HydrophobicContact CB-CD1 4.3Å; V353-L452 HydrophobicContact CB-CD2 4.13Å; V353-L452 HydrophobicContact CB-CG 4.27Å; V353-L452 HydrophobicContact CG2-CD1 4.33Å; V353-L452 HydrophobicContact CG2-CD2 4.08Å; V353-L452 HydrophobicContact CG2-CG 3.93Å; V353-L452 WeakPolarHBondContact O-CD2 3.33Å; I365-L452 HydrophobicContact CD1-CD1 4.27Å; I365-L452 HydrophobicContact CD1-CD2 3.9Å; G449-L452 WeakPolarHBondContact O-CB 3.35Å; G449-L452 PolarHBondContact O-N 3.25Å; G449-L452 VanDerWaalsContact O-N 3.11Å; S450-L452 VanDerWaalsContact C-N 3.34Å; L452-W456 HydrophobicContact CB-CB 4.19Å; L452-W456 HydrophobicContact CB-CD2 4.41Å; L452-W456 HydrophobicContact CB-CG 4.23Å; L452-W456 HydrophobicContact CD1-CD2 4.49Å; L452-W456 HydrophobicContact CD1-CE3 4.06Å; L452-W456 HydrophobicContact CD1-CZ3 4.24Å; L452-W460 HydrophobicContact CD1-CB 4.15Å; L452-W460 HydrophobicContact CD1-CG 3.95Å
453G97.3Very high98.1Very high16 Ų1624.1 Ų24.117%0.16514%0.135CC..  trans99.4134.5-167.400000110.1G449 S450 D455 W456G449-G453 PolarHBondContact O-N 3.44Å; S450-G453 PolarHBondContact O-N 2.96Å; G453-D455 PolarHBondContact O-N 3.38Å; G453-W456 WeakPolarHBondContact O-CB 3.28Å; G453-W456 PolarHBondContact O-N 2.86Å; G453-W456 VanDerWaalsContact O-N 3.09Å
454F95.9Very high98.1Very high76 Ų7624.1 Ų24.133%0.33314%0.135SC..THydrogen-bonded Turntrans-72-11.5-179.9-62-55000113P415 F419 L446P415-F454 HydrophobicContact CB-CD1 4.04Å; P415-F454 HydrophobicContact CB-CD2 4.02Å; P415-F454 HydrophobicContact CB-CE1 4.03Å; P415-F454 HydrophobicContact CB-CE2 4Å; P415-F454 HydrophobicContact CB-CG 4.05Å; P415-F454 HydrophobicContact CB-CZ 4Å; P415-F454 HydrophobicContact CG-CD1 3.97Å; P415-F454 HydrophobicContact CG-CE1 4.16Å; P415-F454 HydrophobicContact CG-CG 4.28Å; F419-F454 HydrophobicContact CB-CE2 4.24Å; F419-F454 HydrophobicContact CB-CZ 4.39Å; F419-F454 HydrophobicContact CD1-CE2 4.03Å; F419-F454 AromaticContact CD2-CE2 3.93Å; F419-F454 HydrophobicContact CD2-CE2 3.93Å; F419-F454 AromaticContact CD2-CZ 3.66Å; F419-F454 HydrophobicContact CD2-CZ 3.66Å; F419-F454 HydrophobicContact CE1-CE2 4.39Å; F419-F454 HydrophobicContact CE2-CE2 4.31Å; F419-F454 HydrophobicContact CE2-CZ 4.07Å; F419-F454 AromaticContact CG-CE2 3.78Å; F419-F454 HydrophobicContact CG-CE2 3.78Å; F419-F454 AromaticContact CG-CZ 3.96Å; F419-F454 HydrophobicContact CG-CZ 3.96Å; L446-F454 HydrophobicContact CB-CZ 4.47Å; L446-F454 HydrophobicContact CD2-CE1 3.8Å; L446-F454 HydrophobicContact CD2-CZ 4.29Å
455D94.4Very high98.1Very high148 Ų14824.1 Ų24.179%0.79114%0.135SC*.THydrogen-bonded Turntrans-96.33.7172.362.4-31000113.2G453G453-D455 PolarHBondContact O-N 3.38Å
456W97.2Very high98.1Very high39 Ų3925.2 Ų25.215%0.14814%0.144CC..  trans-59.2127.2177.1-17968.8000110.4S357 A362 I365 L452 G453 G458 I459 W460S357-W456 PolarHBondContact OG-NE1 2.58Å; S357-W456 VanDerWaalsContact OG-NE1 3.13Å; A362-W456 VanDerWaalsContact O-CZ2 3.28Å; A362-W456 WeakPolarHBondContact O-CZ2 3.26Å; I365-W456 HydrophobicContact CB-CH2 4.22Å; I365-W456 HydrophobicContact CD1-CH2 3.54Å; I365-W456 HydrophobicContact CD1-CZ2 3.7Å; I365-W456 HydrophobicContact CD1-CZ3 4.28Å; I365-W456 HydrophobicContact CG1-CH2 3.71Å; I365-W456 HydrophobicContact CG1-CZ2 4.25Å; I365-W456 HydrophobicContact CG1-CZ3 4.49Å; L452-W456 HydrophobicContact CB-CB 4.19Å; L452-W456 HydrophobicContact CB-CD2 4.41Å; L452-W456 HydrophobicContact CB-CG 4.23Å; L452-W456 HydrophobicContact CD1-CD2 4.49Å; L452-W456 HydrophobicContact CD1-CE3 4.06Å; L452-W456 HydrophobicContact CD1-CZ3 4.24Å; G453-W456 WeakPolarHBondContact O-CB 3.28Å; G453-W456 PolarHBondContact O-N 2.86Å; G453-W456 VanDerWaalsContact O-N 3.09Å; W456-G458 VanDerWaalsContact C-N 3.28Å; W456-G458 VanDerWaalsContact CZ3-CA 3.49Å; W456-G458 PolarHBondContact O-N 3.19Å; W456-I459 WeakPolarHBondContact CZ3-O 3.31Å; W456-W460 HydrophobicContact CE3-CB 4.34Å; W456-W460 HydrophobicContact CZ3-CB 4Å
457P96Very high98Very high127 Ų12726.2 Ų26.283%0.82515%0.151SC*.SBendtrans-76.8-10.9-167.929.8-37.3000114.5
458G97.5Very high98Very high12 Ų1226.5 Ų26.512%0.12415%0.153CC..SBendtrans-80.1178.9178.800000113.3D363 N389 W456D363-G458 VanDerWaalsContact O-CA 3.27Å; D363-G458 WeakPolarHBondContact O-CA 3.3Å; N389-G458 PolarHBondContact ND2-O 2.93Å; W456-G458 VanDerWaalsContact C-N 3.28Å; W456-G458 VanDerWaalsContact CZ3-CA 3.49Å; W456-G458 PolarHBondContact O-N 3.19Å
459I98.5Very high98Very high42 Ų4226.7 Ų26.722%0.21515%0.154CC..EExtended strand (participates in β ladder)trans-95.9125.2175.9-57.8-59.8000109.6D363 I364 I365 W393 W456 V461D363-I459 PolarHBondContact O-N 3.04Å; I364-I459 CarbonylContact C-O 3.58Å; I364-I459 WeakPolarHBondContact CA-O 3.41Å; I364-I459 HydrophobicContact CG1-CB 4.19Å; I364-I459 HydrophobicContact CG2-CB 4.29Å; I364-I459 HydrophobicContact CG2-CG2 4.4Å; I365-I459 PolarHBondContact N-O 3.31Å; W393-I459 HydrophobicContact CB-CG2 4.29Å; W393-I459 VanDerWaalsContact CD1-CG2 3.46Å; W393-I459 HydrophobicContact CD2-CG2 3.79Å; W393-I459 HydrophobicContact CG-CG2 3.58Å; W456-I459 WeakPolarHBondContact CZ3-O 3.31Å; I459-V461 HydrophobicContact CG2-CG2 4.2Å
460W98.8Very high98Very high6 Ų629.7 Ų29.72%0.02317%0.168CC..EExtended strand (participates in β ladder)trans-117.1130.5175.917155.5000111.1I365 D367 M387 T388 N389 Y413 G445 I448 G449 L452 W456 H462I365-W460 CarbonylContact O-C 3.48Å; I365-W460 VanDerWaalsContact O-CA 3.31Å; I365-W460 WeakPolarHBondContact O-CA 3.48Å; D367-W460 PolarHBondContact OD2-NE1 3.39Å; M387-W460 HydrophobicContact CE-CH2 3.54Å; M387-W460 HydrophobicContact CE-CZ2 4.49Å; M387-W460 HydrophobicContact CE-CZ3 4.04Å; T388-W460 VanDerWaalsContact CA-O 3.23Å; T388-W460 WeakPolarHBondContact CA-O 3.3Å; T388-W460 WeakPolarHBondContact CB-O 3.35Å; T388-W460 PolarHBondContact OG1-O 2.84Å; N389-W460 PolarHBondContact N-O 3.4Å; N389-W460 PolarHBondContact OD1-N 3.27Å; N389-W460 PolarHBondContact OD1-O 2.88Å; Y413-W460 HydrophobicContact CE2-CE3 4.47Å; Y413-W460 HydrophobicContact CE2-CZ3 4.01Å; G445-W460 WeakPolarHBondContact O-CH2 3.47Å; G445-W460 VanDerWaalsContact O-CZ2 3.28Å; G445-W460 WeakPolarHBondContact O-CZ2 3.38Å; I448-W460 HydrophobicContact CB-CZ2 4.22Å; I448-W460 HydrophobicContact CG2-CZ2 4.42Å; G449-W460 VanDerWaalsContact CA-CH2 3.48Å; L452-W460 HydrophobicContact CD1-CB 4.15Å; L452-W460 HydrophobicContact CD1-CG 3.95Å; W456-W460 HydrophobicContact CE3-CB 4.34Å; W456-W460 HydrophobicContact CZ3-CB 4Å; W460-H462 HydrophobicContact CH2-CB 4.3Å; W460-H462 HydrophobicContact CZ2-CB 3.66Å
461V98.9Very high97.8Very high1 Ų132 Ų321%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-128.7117.5177.5-175.30000109.6I365 L366 D367 W393 I459 V463I365-V461 PolarHBondContact O-N 2.68Å; L366-V461 CarbonylContact C-O 3.52Å; L366-V461 VanDerWaalsContact CA-O 3.24Å; L366-V461 WeakPolarHBondContact CA-O 3.32Å; L366-V461 HydrophobicContact CB-CB 4.32Å; L366-V461 HydrophobicContact CD1-CB 4.23Å; L366-V461 HydrophobicContact CD1-CG1 4.1Å; L366-V461 HydrophobicContact CG-CB 4.11Å; L366-V461 HydrophobicContact CG-CG1 4.27Å; D367-V461 PolarHBondContact N-O 2.99Å; W393-V461 HydrophobicContact CB-CG2 4.05Å; W393-V461 HydrophobicContact CD2-CG2 4.33Å; W393-V461 HydrophobicContact CE3-CG2 3.98Å; W393-V461 HydrophobicContact CG-CG2 4.39Å; I459-V461 HydrophobicContact CG2-CG2 4.2Å; V461-V463 HydrophobicContact CG1-CG2 4.06Å
462H98.9Very high97.6Very high0 Ų034 Ų340%021%0.211CC..EExtended strand (participates in β ladder)trans-95.7134.3170.1176.559.9000110.7D367 L371 V386 M387 W460D367-H462 IonicContact OD1-CE1 2.58Å; D367-H462 PolarHBondContact OD1-CE1 2.82Å; D367-H462 IonicContact OD1-CG 3.19Å; D367-H462 IonicContact OD1-ND1 2.63Å; D367-H462 PolarHBondContact OD1-ND1 2.99Å; D367-H462 IonicContact OD2-ND1 3.51Å; L371-H462 VanDerWaalsContact CD2-CE1 3.48Å; L371-H462 WeakPolarHBondContact CD2-CE1 3.27Å; V386-H462 WeakPolarHBondContact CA-O 3.33Å; M387-H462 HydrophobicContact CB-CB 4.5Å; M387-H462 PolarHBondContact N-O 3.22Å; M387-H462 PolarHBondContact O-N 3.21Å; W460-H462 HydrophobicContact CH2-CB 4.3Å; W460-H462 HydrophobicContact CZ2-CB 3.66Å
463V98.9Very high97.4Very high0 Ų040 Ų400%024%0.238CC..EExtended strand (participates in β ladder)trans-127.9105.8177.9-169.20000110.7L366 D367 M368 A369 A384 V386 V461 I465 L482L366-V463 HydrophobicContact CD1-CG2 4.16Å; L366-V463 HydrophobicContact CD2-CG2 4.1Å; L366-V463 HydrophobicContact CG-CG2 4.13Å; D367-V463 PolarHBondContact O-N 3.06Å; M368-V463 WeakPolarHBondContact CA-O 3.3Å; M368-V463 HydrophobicContact CB-CB 4.46Å; M368-V463 HydrophobicContact CE-CB 4.43Å; M368-V463 HydrophobicContact CE-CG1 4.27Å; M368-V463 HydrophobicContact CG-CB 4.25Å; M368-V463 HydrophobicContact CG-CG1 4.47Å; A369-V463 PolarHBondContact N-O 3.26Å; A384-V463 HydrophobicContact CB-CG1 3.84Å; V386-V463 HydrophobicContact CG1-CG1 4.08Å; V386-V463 HydrophobicContact CG1-CG2 4.19Å; V461-V463 HydrophobicContact CG1-CG2 4.06Å; V463-I465 HydrophobicContact CG1-CG2 3.68Å; V463-L482 HydrophobicContact CG1-CD2 4.26Å
464D98.9Very high97.3Very high0 Ų043.3 Ų43.30%025%0.245CC..EExtended strand (participates in β ladder)trans-88.9116.1172.4-167.9-14.2000110.5A369 L371 T372 Q375 A384 A385 A466A369-D464 CarbonylContact O-C 3.45Å; A369-D464 WeakPolarHBondContact O-CA 3.17Å; L371-D464 HydrophobicContact CB-CB 4.45Å; L371-D464 PolarHBondContact N-OD1 3.06Å; T372-D464 WeakPolarHBondContact CB-OD2 3.36Å; T372-D464 PolarHBondContact N-OD2 2.91Å; T372-D464 PolarHBondContact OG1-OD2 3.33Å; Q375-D464 HydrophobicContact CB-CB 4.23Å; Q375-D464 WeakPolarHBondContact CB-OD2 3.3Å; Q375-D464 HydrophobicContact CG-CB 4.01Å; Q375-D464 WeakPolarHBondContact CG-O 3.33Å; A384-D464 CarbonylContact C-O 3.46Å; A384-D464 WeakPolarHBondContact CA-O 3.09Å; A385-D464 HydrophobicContact CB-CB 4.23Å; A385-D464 PolarHBondContact N-O 3.5Å; A385-D464 PolarHBondContact O-N 3.46Å; D464-A466 WeakPolarHBondContact OD1-CB 3.05Å; D464-A466 PolarHBondContact OD1-N 3.38Å
465I98.8Very high97.4Very high0 Ų040 Ų400%023%0.233CC..  trans-115.518.7-175.467.1162000112.7M368 A369 T370 A384 V463 S467 P468 V469 F478M368-I465 HydrophobicContact CG-CD1 3.92Å; M368-I465 HydrophobicContact CG-CG1 4.13Å; M368-I465 HydrophobicContact CG-CG2 3.93Å; M368-I465 HydrophobicContact SD-CD1 3.87Å; M368-I465 HydrophobicContact SD-CG2 4.19Å; A369-I465 WeakPolarHBondContact O-CG1 3.49Å; A369-I465 PolarHBondContact O-N 3.13Å; T370-I465 HydrophobicContact CG2-CD1 4.46Å; T370-I465 HydrophobicContact CG2-CG1 4Å; A384-I465 HydrophobicContact CB-CG2 3.9Å; V463-I465 HydrophobicContact CG1-CG2 3.68Å; I465-S467 VanDerWaalsContact C-N 3.32Å; I465-S467 PolarHBondContact O-N 2.95Å; I465-P468 WeakPolarHBondContact O-CD 3.44Å; I465-V469 HydrophobicContact CD1-CG2 4.34Å; I465-V469 WeakPolarHBondContact O-CB 3.17Å; I465-V469 PolarHBondContact O-N 2.78Å; I465-V469 VanDerWaalsContact O-N 3.08Å; I465-F478 HydrophobicContact CB-CD1 3.94Å; I465-F478 HydrophobicContact CB-CE1 4.21Å; I465-F478 HydrophobicContact CD1-CD1 4.44Å; I465-F478 HydrophobicContact CG2-CD1 3.61Å; I465-F478 HydrophobicContact CG2-CE1 3.49Å; I465-F478 VanDerWaalsContact CG2-CE1 3.49Å
466A98.4Very high97.6Very high23 Ų2334.1 Ų34.119%0.1920%0.202CC..THydrogen-bonded Turntrans-48.2-47.7-17400000114.3T372 Q375 D464 V469T372-A466 VanDerWaalsContact O-CB 3.23Å; T372-A466 WeakPolarHBondContact O-CB 3.26Å; Q375-A466 HydrophobicContact CB-CB 4.41Å; D464-A466 WeakPolarHBondContact OD1-CB 3.05Å; D464-A466 PolarHBondContact OD1-N 3.38Å; A466-V469 WeakPolarHBondContact O-CG1 3.12Å
467S98.4Very high97.7Very high22 Ų2232.4 Ų32.415%0.15420%0.196CC..THydrogen-bonded Turntrans-86.7-44.3-179.9-46.20000113.2Q375 G376 I465 V469 H470Q375-S467 PolarHBondContact OE1-OG 3.24Å; G376-S467 WeakPolarHBondContact CA-OG 2.95Å; G376-S467 PolarHBondContact N-OG 3.43Å; I465-S467 VanDerWaalsContact C-N 3.32Å; I465-S467 PolarHBondContact O-N 2.95Å; S467-V469 PolarHBondContact O-N 2.87Å; S467-H470 PolarHBondContact O-N 3.45Å
468P98.6Very high97.8Very high5 Ų526.7 Ų26.73%0.03216%0.159CC..THydrogen-bonded Turntrans-62.7-20.8179.9-2533.9000115.6K381 H383 I465 H470 T476 F478K381-P468 WeakPolarHBondContact O-CA 2.81Å; H383-P468 VanDerWaalsContact C-CG 3.49Å; I465-P468 WeakPolarHBondContact O-CD 3.44Å; P468-H470 PolarHBondContact O-N 3.21Å; P468-H470 VanDerWaalsContact O-N 3.1Å; P468-T476 WeakPolarHBondContact O-CG2 3.36Å; P468-T476 PolarHBondContact O-OG1 3.3Å; P468-F478 HydrophobicContact CB-CB 4.41Å; P468-F478 HydrophobicContact CB-CD1 4.16Å; P468-F478 HydrophobicContact CB-CD2 3.42Å; P468-F478 VanDerWaalsContact CB-CD2 3.42Å; P468-F478 HydrophobicContact CB-CE1 4.36Å; P468-F478 HydrophobicContact CB-CE2 3.6Å; P468-F478 HydrophobicContact CB-CG 3.73Å; P468-F478 HydrophobicContact CB-CZ 4.1Å; P468-F478 HydrophobicContact CG-CE2 4.36Å
469V98.3Very high97.9Very high5 Ų526.1 Ų26.13%0.0315%0.153CC..THydrogen-bonded Turntrans-60.5-19.3179.9800000113.4V185 R282 T370 I465 A466 S467 A475 T476V185-V469 HydrophobicContact CG1-CG2 4.03Å; V185-V469 HydrophobicContact CG2-CG2 4.27Å; R282-V469 HydrophobicContact CB-CG1 4.35Å; T370-V469 HydrophobicContact CG2-CB 3.9Å; T370-V469 HydrophobicContact CG2-CG1 3.78Å; T370-V469 HydrophobicContact CG2-CG2 4.02Å; I465-V469 HydrophobicContact CD1-CG2 4.34Å; I465-V469 WeakPolarHBondContact O-CB 3.17Å; I465-V469 PolarHBondContact O-N 2.78Å; I465-V469 VanDerWaalsContact O-N 3.08Å; A466-V469 WeakPolarHBondContact O-CG1 3.12Å; S467-V469 PolarHBondContact O-N 2.87Å; V469-A475 WeakPolarHBondContact O-CA 3.21Å; V469-T476 PolarHBondContact O-N 3.48Å; V469-T476 PolarHBondContact O-OG1 3.01Å; V469-T476 VanDerWaalsContact O-OG1 3.05Å
470H97.8Very high97.9Very high63 Ų6324.1 Ų24.129%0.29214%0.142SC..EExtended strand (participates in β ladder)trans-140.8153.6179.680.298.4000113.7R282 S467 P468 G472 R474R282-H470 PolarHBondContact NH1-ND1 2.97Å; S467-H470 PolarHBondContact O-N 3.45Å; P468-H470 PolarHBondContact O-N 3.21Å; P468-H470 VanDerWaalsContact O-N 3.1Å; H470-G472 PolarHBondContact ND1-O 2.83Å; H470-R474 CarbonylContact C-O 3.58Å; H470-R474 WeakPolarHBondContact CA-O 3.33Å; H470-R474 WeakPolarHBondContact CB-O 3.37Å
471A96.1Very high97.9Very high51 Ų5123.9 Ų23.942%0.42114%0.141SC..EExtended strand (participates in β ladder)trans-13210917300000109.1E473 R474 T476A471-E473 PolarHBondContact O-N 2.96Å; A471-R474 PolarHBondContact N-O 2.97Å; A471-R474 PolarHBondContact O-N 3.05Å; A471-T476 HydrophobicContact CB-CG2 3.79Å
472G93.6Very high97.9Very high52 Ų5223.8 Ų23.854%0.53614%0.141SC..THydrogen-bonded Turntrans59.6-127.2-166.300000110.2H470H470-G472 PolarHBondContact ND1-O 2.83Å
473E93.4Very high97.9Very high153 Ų15323.8 Ų23.872%0.71514%0.141SC*.THydrogen-bonded Turntrans-89.34.7-175.5-63.9-51130.100115.2R282 A471R282-E473 IonicContact NH2-OE2 2.81Å; A471-E473 PolarHBondContact O-N 2.96Å
474R96.4Very high97.9Very high84 Ų8423.9 Ų23.932%0.31714%0.141SC..EExtended strand (participates in β ladder)trans-122.8141.8-175.7-60.8-57.5-59-152.81112P132 F134 D186 H470 A471P132-R474 VanDerWaalsContact CB-NH2 3.32Å; F134-R474 PolarHBondContact O-NH1 2.85Å; F134-R474 PolarHBondContact O-NH2 3.32Å; D186-R474 WeakPolarHBondContact OD1-CA 3.23Å; D186-R474 IonicContact OD1-NE 3.78Å; D186-R474 IonicContact OD2-CZ 2.63Å; D186-R474 IonicContact OD2-NE 3.19Å; D186-R474 PolarHBondContact OD2-NE 3.11Å; D186-R474 IonicContact OD2-NH2 3.88Å; D186-R474 PolarHBondContact OD2-NH2 3.15Å; H470-R474 CarbonylContact C-O 3.58Å; H470-R474 WeakPolarHBondContact CA-O 3.33Å; H470-R474 WeakPolarHBondContact CB-O 3.37Å; A471-R474 PolarHBondContact N-O 2.97Å; A471-R474 PolarHBondContact O-N 3.05Å
475A98.2Very high97.8Very high8 Ų823.9 Ų23.97%0.06614%0.141CC..EExtended strand (participates in β ladder)trans-60.1145.1167.100000111.1A182 V185 D186 V469A182-A475 HydrophobicContact CB-CB 3.99Å; A182-A475 VanDerWaalsContact O-CB 3.31Å; A182-A475 WeakPolarHBondContact O-CB 3.45Å; V185-A475 HydrophobicContact CB-CB 3.62Å; V185-A475 HydrophobicContact CG1-CB 3.41Å; V185-A475 VanDerWaalsContact CG1-CB 3.41Å; D186-A475 HydrophobicContact CB-CB 4.42Å; D186-A475 WeakPolarHBondContact OD1-CB 3.32Å; D186-A475 PolarHBondContact OD1-N 2.76Å; V469-A475 WeakPolarHBondContact O-CA 3.21Å
476T98.6Very high97.8Very high24 Ų2423.9 Ų23.915%0.14714%0.141CC..  trans-94.6-22.1178.554.70000112.4R129 P468 V469 A471 F478R129-T476 WeakPolarHBondContact CD-O 3.28Å; R129-T476 VanDerWaalsContact CG-O 3.23Å; R129-T476 WeakPolarHBondContact CG-O 3.24Å; R129-T476 PolarHBondContact NH1-O 3.22Å; P468-T476 WeakPolarHBondContact O-CG2 3.36Å; P468-T476 PolarHBondContact O-OG1 3.3Å; V469-T476 PolarHBondContact O-N 3.48Å; V469-T476 PolarHBondContact O-OG1 3.01Å; V469-T476 VanDerWaalsContact O-OG1 3.05Å; A471-T476 HydrophobicContact CB-CG2 3.79Å; T476-F478 VanDerWaalsContact C-N 3.26Å; T476-F478 WeakPolarHBondContact OG1-CB 3.43Å; T476-F478 PolarHBondContact OG1-N 3.29Å
477G98.5Very high97.8Very high3 Ų323.2 Ų23.23%0.03113%0.134CC..  trans68.327.9-166.800000112.5R129 V178R129-G477 PolarHBondContact NH1-O 3.32Å; V178-G477 WeakPolarHBondContact O-CA 3.44Å
478F98.8Very high97.6Very high7 Ų722.3 Ų22.33%0.03113%0.128CC..THydrogen-bonded Turntrans-57.5146.2177-174.3-78.8000110.9A289 A384 D406 L407 I465 P468 T476 L482A289-F478 VanDerWaalsContact CB-O 3.23Å; A289-F478 WeakPolarHBondContact CB-O 3.22Å; A384-F478 HydrophobicContact CB-CE1 3.67Å; A384-F478 HydrophobicContact CB-CZ 3.57Å; D406-F478 VanDerWaalsContact C-CE2 3.5Å; D406-F478 VanDerWaalsContact CA-CE2 3.49Å; D406-F478 HydrophobicContact CB-CD2 3.94Å; D406-F478 HydrophobicContact CB-CE1 4.29Å; D406-F478 HydrophobicContact CB-CE2 3.61Å; D406-F478 HydrophobicContact CB-CG 4.43Å; D406-F478 HydrophobicContact CB-CZ 3.77Å; D406-F478 VanDerWaalsContact OD1-CD2 3.23Å; D406-F478 WeakPolarHBondContact OD1-CD2 3.26Å; L407-F478 WeakPolarHBondContact O-CZ 3.19Å; I465-F478 HydrophobicContact CB-CD1 3.94Å; I465-F478 HydrophobicContact CB-CE1 4.21Å; I465-F478 HydrophobicContact CD1-CD1 4.44Å; I465-F478 HydrophobicContact CG2-CD1 3.61Å; I465-F478 HydrophobicContact CG2-CE1 3.49Å; I465-F478 VanDerWaalsContact CG2-CE1 3.49Å; P468-F478 HydrophobicContact CB-CB 4.41Å; P468-F478 HydrophobicContact CB-CD1 4.16Å; P468-F478 HydrophobicContact CB-CD2 3.42Å; P468-F478 VanDerWaalsContact CB-CD2 3.42Å; P468-F478 HydrophobicContact CB-CE1 4.36Å; P468-F478 HydrophobicContact CB-CE2 3.6Å; P468-F478 HydrophobicContact CB-CG 3.73Å; P468-F478 HydrophobicContact CB-CZ 4.1Å; P468-F478 HydrophobicContact CG-CE2 4.36Å; T476-F478 VanDerWaalsContact C-N 3.26Å; T476-F478 WeakPolarHBondContact OG1-CB 3.43Å; T476-F478 PolarHBondContact OG1-N 3.29Å; F478-L482 HydrophobicContact CE1-CD2 4.44Å
479G98.7Very high97.3Very high0 Ų026.2 Ų26.20%015%0.146CC..THydrogen-bonded Turntrans103.6-31.3173.200000112.6D406 L482 L483D406-G479 PolarHBondContact OD2-N 2.98Å; G479-L482 PolarHBondContact O-N 2.72Å; G479-L483 WeakPolarHBondContact O-CG 3.38Å; G479-L483 PolarHBondContact O-N 3.07Å
480V98.9Very high97Very high0 Ų026.7 Ų26.70%015%0.151CC..Hα-helixtrans-59.9-52177.4177.50000111.5V178 A181 L482 L483 M484V178-V480 HydrophobicContact CG2-CB 3.89Å; V178-V480 HydrophobicContact CG2-CG1 3.95Å; A181-V480 HydrophobicContact CB-CG2 3.75Å; V480-L482 VanDerWaalsContact C-N 3.33Å; V480-L483 PolarHBondContact O-N 2.87Å; V480-M484 HydrophobicContact CG1-SD 4.29Å; V480-M484 WeakPolarHBondContact O-CG 3.33Å; V480-M484 PolarHBondContact O-N 3.21Å; V480-M484 VanDerWaalsContact O-N 3.16Å
481A98.8Very high96.7Very high0 Ų023.7 Ų23.70%014%0.137CC..Hα-helixtrans-70.6-34.1-177.400000111.4F121 C125 S404 D406 A485F121-A481 HydrophobicContact CE1-CB 4.22Å; F121-A481 HydrophobicContact CZ-CB 4.44Å; C125-A481 HydrophobicContact CB-CB 4.08Å; S404-A481 VanDerWaalsContact CB-O 3.27Å; S404-A481 WeakPolarHBondContact CB-O 3.01Å; D406-A481 PolarHBondContact OD2-N 2.57Å; A481-A485 WeakPolarHBondContact O-CB 3.44Å; A481-A485 PolarHBondContact O-N 3.12Å
482L98.8Very high96.5Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-59.6-50.8175.1177.763.2000111.4M368 A400 D406 V463 F478 G479 V480 A485 L486M368-L482 HydrophobicContact CE-CD2 4.44Å; A400-L482 HydrophobicContact CB-CD1 3.77Å; D406-L482 HydrophobicContact CB-CB 3.74Å; V463-L482 HydrophobicContact CG1-CD2 4.26Å; F478-L482 HydrophobicContact CE1-CD2 4.44Å; G479-L482 PolarHBondContact O-N 2.72Å; V480-L482 VanDerWaalsContact C-N 3.33Å; L482-A485 PolarHBondContact O-N 3.36Å; L482-L486 VanDerWaalsContact O-CB 3.24Å; L482-L486 WeakPolarHBondContact O-CB 3.16Å; L482-L486 PolarHBondContact O-N 2.76Å
483L98.8Very high96.4Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-66.8-42.9-177.6-69.7175.7000112W257 I290 A293 L366 M368 G479 V480 A485 L486 F487W257-L483 HydrophobicContact CD2-CD1 4.15Å; W257-L483 HydrophobicContact CD2-CD2 4.41Å; W257-L483 HydrophobicContact CE3-CD1 4.03Å; W257-L483 HydrophobicContact CH2-CB 4.05Å; W257-L483 HydrophobicContact CZ2-CB 4.18Å; W257-L483 HydrophobicContact CZ3-CB 4.32Å; W257-L483 HydrophobicContact CZ3-CD1 4.36Å; I290-L483 HydrophobicContact CG1-CD1 3.94Å; A293-L483 HydrophobicContact CB-CB 3.75Å; A293-L483 HydrophobicContact CB-CD1 3.58Å; A293-L483 HydrophobicContact CB-CG 4.28Å; L366-L483 HydrophobicContact CD1-CD2 3.67Å; L366-L483 HydrophobicContact CD2-CD2 3.72Å; L366-L483 HydrophobicContact CG-CD2 4.33Å; M368-L483 HydrophobicContact CE-CD1 3.94Å; M368-L483 HydrophobicContact CE-CD2 4.13Å; M368-L483 HydrophobicContact CE-CG 3.91Å; G479-L483 WeakPolarHBondContact O-CG 3.38Å; G479-L483 PolarHBondContact O-N 3.07Å; V480-L483 PolarHBondContact O-N 2.87Å; L483-A485 VanDerWaalsContact C-N 3.29Å; L483-A485 PolarHBondContact O-N 2.98Å; L483-L486 PolarHBondContact O-N 2.53Å; L483-F487 HydrophobicContact CD2-CD2 4.4Å; L483-F487 HydrophobicContact CD2-CE2 4.08Å; L483-F487 PolarHBondContact O-N 3.09Å
484M98.6Very high96.3Very high1 Ų121.6 Ų21.61%0.00511%0.11CC..Hα-helixtrans-59.9-39.1175.4-72-175.579.200112.4F121 A174 A296 V480 G488 L496F121-M484 HydrophobicContact CE2-CE 4.45Å; F121-M484 HydrophobicContact CZ-CB 3.89Å; F121-M484 HydrophobicContact CZ-SD 4.34Å; A174-M484 HydrophobicContact CB-CE 3.93Å; A174-M484 HydrophobicContact CB-SD 3.66Å; A296-M484 HydrophobicContact CB-CE 3.69Å; A296-M484 HydrophobicContact CB-CG 4.35Å; A296-M484 HydrophobicContact CB-SD 3.41Å; A296-M484 WeakPolarHBondContact CB-SD 3.35Å; V480-M484 HydrophobicContact CG1-SD 4.29Å; V480-M484 WeakPolarHBondContact O-CG 3.33Å; V480-M484 PolarHBondContact O-N 3.21Å; V480-M484 VanDerWaalsContact O-N 3.16Å; M484-G488 WeakPolarHBondContact O-CA 3.23Å; M484-G488 PolarHBondContact O-N 2.81Å; M484-G488 VanDerWaalsContact O-N 3.08Å; M484-L496 HydrophobicContact CB-CD2 4.22Å; M484-L496 HydrophobicContact CE-CD1 3.99Å; M484-L496 HydrophobicContact CE-CD2 4.16Å
485A98.3Very high96.2Very high0 Ų017.8 Ų17.80%010%0.096CC..Hα-helixtrans-73.3-49175.800000111.6F121 A400 A481 L482 L483 F487 G488 V499 S500F121-A485 HydrophobicContact CE1-CB 4.3Å; A400-A485 HydrophobicContact CB-CB 4.24Å; A481-A485 WeakPolarHBondContact O-CB 3.44Å; A481-A485 PolarHBondContact O-N 3.12Å; L482-A485 PolarHBondContact O-N 3.36Å; L483-A485 VanDerWaalsContact C-N 3.29Å; L483-A485 PolarHBondContact O-N 2.98Å; A485-F487 VanDerWaalsContact C-N 3.3Å; A485-F487 PolarHBondContact O-N 3.22Å; A485-G488 PolarHBondContact O-N 2.92Å; A485-V499 HydrophobicContact CB-CG2 3.94Å; A485-S500 WeakPolarHBondContact O-CA 3.45Å; A485-S500 VanDerWaalsContact O-CB 3.29Å; A485-S500 WeakPolarHBondContact O-CB 3.27Å; A485-S500 PolarHBondContact O-OG 3.44Å
486L98.3Very high96Very high0 Ų017.5 Ų17.50%09%0.094CC..Hα-helixtrans-57.2-43-176.1-178.358.9000112.3L366 W393 A396 A400 L482 L483 S500 P501 L502L366-L486 HydrophobicContact CD1-CD2 3.76Å; W393-L486 HydrophobicContact CE3-CD1 4.32Å; W393-L486 HydrophobicContact CE3-CD2 4.45Å; W393-L486 HydrophobicContact CZ3-CD1 4.23Å; W393-L486 HydrophobicContact CZ3-CD2 4.22Å; W393-L486 HydrophobicContact CZ3-CG 4.12Å; A396-L486 HydrophobicContact CB-CD1 3.84Å; A400-L486 HydrophobicContact CB-CB 3.91Å; A400-L486 HydrophobicContact CB-CD1 4.2Å; L482-L486 VanDerWaalsContact O-CB 3.24Å; L482-L486 WeakPolarHBondContact O-CB 3.16Å; L482-L486 PolarHBondContact O-N 2.76Å; L483-L486 PolarHBondContact O-N 2.53Å; L486-S500 PolarHBondContact O-OG 3.09Å; L486-P501 HydrophobicContact CD1-CG 3.92Å; L486-L502 HydrophobicContact CD1-CD1 4.39Å
487F97.6Very high95.7Very high10 Ų1018.5 Ų18.54%0.04410%0.098CC..THydrogen-bonded Turntrans-100.311.6178.8-64-88000113.3I255 W257 F302 I364 L366 W393 L483 A485 Q489 A490I255-F487 HydrophobicContact CD1-CD1 3.97Å; I255-F487 HydrophobicContact CD1-CE1 4.16Å; I255-F487 HydrophobicContact CG1-CE1 4.43Å; I255-F487 HydrophobicContact CG2-CD1 4.17Å; I255-F487 HydrophobicContact CG2-CE1 3.59Å; I255-F487 HydrophobicContact CG2-CZ 4.04Å; W257-F487 AromaticContact CE2-CD2 3.7Å; W257-F487 AromaticContact CE2-CE2 3.75Å; W257-F487 HydrophobicContact CZ2-CB 4.01Å; W257-F487 AromaticContact CZ2-CD2 3.39Å; W257-F487 HydrophobicContact CZ2-CD2 3.39Å; W257-F487 AromaticContact CZ2-CE2 3.96Å; W257-F487 HydrophobicContact CZ2-CE2 3.96Å; W257-F487 AromaticContact CZ2-CG 3.75Å; W257-F487 HydrophobicContact CZ2-CG 3.75Å; W257-F487 AromaticContact NE1-CD2 3.5Å; W257-F487 AromaticContact NE1-CE1 4Å; W257-F487 AromaticContact NE1-CE2 3.08Å; W257-F487 AromaticContact NE1-CZ 3.37Å; F302-F487 HydrophobicContact CE2-CB 4.01Å; F302-F487 HydrophobicContact CZ-CB 4.4Å; I364-F487 HydrophobicContact CG2-CE1 4.28Å; I364-F487 HydrophobicContact CG2-CZ 4.41Å; L366-F487 HydrophobicContact CB-CZ 4.47Å; L366-F487 HydrophobicContact CD1-CE2 3.98Å; L366-F487 HydrophobicContact CD1-CZ 4.37Å; W393-F487 HydrophobicContact CH2-CD1 4.33Å; W393-F487 AromaticContact CH2-CE1 3.62Å; W393-F487 HydrophobicContact CH2-CE1 3.62Å; W393-F487 HydrophobicContact CH2-CZ 4.06Å; W393-F487 AromaticContact CZ3-CE1 3.81Å; W393-F487 HydrophobicContact CZ3-CE1 3.81Å; W393-F487 AromaticContact CZ3-CZ 3.76Å; W393-F487 HydrophobicContact CZ3-CZ 3.76Å; L483-F487 HydrophobicContact CD2-CD2 4.4Å; L483-F487 HydrophobicContact CD2-CE2 4.08Å; L483-F487 PolarHBondContact O-N 3.09Å; A485-F487 VanDerWaalsContact C-N 3.3Å; A485-F487 PolarHBondContact O-N 3.22Å; F487-Q489 PolarHBondContact O-N 3.45Å; F487-Q489 VanDerWaalsContact O-N 3.14Å; F487-A490 PolarHBondContact O-N 3.32Å; F487-A490 VanDerWaalsContact O-N 3.09Å
488G95.6Very high95.3Very high2 Ų224.4 Ų24.42%0.02113%0.125CC..G310 helixtrans-56.6-32.7-17500000113.8M484 A485 A490 S491 N497M484-G488 WeakPolarHBondContact O-CA 3.23Å; M484-G488 PolarHBondContact O-N 2.81Å; M484-G488 VanDerWaalsContact O-N 3.08Å; A485-G488 PolarHBondContact O-N 2.92Å; G488-A490 PolarHBondContact O-N 3.25Å; G488-S491 WeakPolarHBondContact O-CB 3.32Å; G488-S491 PolarHBondContact O-N 2.97Å; G488-N497 PolarHBondContact O-OD1 3Å
489Q92.2Very high95Very high88 Ų8824.7 Ų24.741%0.41113%0.127SC..G310 helixtrans-60.8-25.9179.3-170.159.723.400114.3F487 S491 N497 S500 L502F487-Q489 PolarHBondContact O-N 3.45Å; F487-Q489 VanDerWaalsContact O-N 3.14Å; Q489-S491 PolarHBondContact O-N 3.31Å; Q489-N497 VanDerWaalsContact CA-OD1 3.27Å; Q489-N497 WeakPolarHBondContact CA-OD1 3.37Å; Q489-N497 PolarHBondContact O-OD1 2.79Å; Q489-S500 PolarHBondContact N-OG 2.83Å; Q489-L502 WeakPolarHBondContact CB-O 3.39Å; Q489-L502 WeakPolarHBondContact CG-O 3.48Å
490A91.8Very high94.8Very high15 Ų1525.1 Ų25.112%0.12413%0.13CC..G310 helixtrans-845.9176.200000112.6F302 K303 F487 G488F302-A490 CarbonylContact C-O 3.56Å; F302-A490 WeakPolarHBondContact CA-O 3.46Å; F302-A490 HydrophobicContact CD2-CB 4.05Å; F302-A490 HydrophobicContact CE1-CB 4.25Å; F302-A490 HydrophobicContact CE2-CB 3.46Å; F302-A490 VanDerWaalsContact CE2-CB 3.46Å; F302-A490 HydrophobicContact CZ-CB 3.57Å; K303-A490 WeakPolarHBondContact CB-O 3.26Å; K303-A490 WeakPolarHBondContact CG-O 3.32Å; K303-A490 PolarHBondContact N-O 2.79Å; F487-A490 PolarHBondContact O-N 3.32Å; F487-A490 VanDerWaalsContact O-N 3.09Å; G488-A490 PolarHBondContact O-N 3.25Å
491S91.1Very high94.3Very high0 Ų025.9 Ų25.90%014%0.135CC..BIsolated β-bridgetrans-95.2157.8176178.20000112.1Q300 K303 G488 Q489 D493 N497Q300-S491 WeakPolarHBondContact CB-OG 3.4Å; Q300-S491 PolarHBondContact O-OG 2.89Å; K303-S491 WeakPolarHBondContact CE-O 3.33Å; K303-S491 PolarHBondContact NZ-O 3.44Å; G488-S491 WeakPolarHBondContact O-CB 3.32Å; G488-S491 PolarHBondContact O-N 2.97Å; Q489-S491 PolarHBondContact O-N 3.31Å; S491-D493 VanDerWaalsContact OG-CB 3.28Å; S491-D493 WeakPolarHBondContact OG-CB 3.48Å; S491-D493 PolarHBondContact OG-N 3.06Å; S491-N497 PolarHBondContact O-ND2 3.49Å; S491-N497 PolarHBondContact O-OD1 3.4Å
492E91Very high93.4Very high145 Ų14527.2 Ų27.268%0.67814%0.142SC*.SBendtrans-73.8-11.4165-70.1179169.900113.1Q300 G301 K303Q300-E492 PolarHBondContact O-N 3.2Å; G301-E492 PolarHBondContact O-N 3.11Å; K303-E492 VanDerWaalsContact CE-CG 3.43Å; K303-E492 HydrophobicContact CG-CG 4.38Å
493D92.3Very high91.5Very high12 Ų1230.1 Ų30.16%0.06417%0.172CC..  trans-81.9122.5-173.1-168.9-68.5000113.2C170 Q300 S491 M495 L496 N497C170-D493 VanDerWaalsContact CB-OD2 3.29Å; C170-D493 WeakPolarHBondContact CB-OD2 3.39Å; Q300-D493 HydrophobicContact CB-CB 4.13Å; Q300-D493 PolarHBondContact NE2-OD2 2.91Å; S491-D493 VanDerWaalsContact OG-CB 3.28Å; S491-D493 WeakPolarHBondContact OG-CB 3.48Å; S491-D493 PolarHBondContact OG-N 3.06Å; D493-M495 VanDerWaalsContact C-N 3.32Å; D493-M495 PolarHBondContact O-N 2.65Å; D493-M495 WeakPolarHBondContact OD1-CA 3.42Å; D493-M495 VanDerWaalsContact OD1-CB 3.25Å; D493-M495 WeakPolarHBondContact OD1-CB 3.35Å; D493-M495 PolarHBondContact OD1-N 3.44Å; D493-L496 HydrophobicContact CB-CB 4.18Å; D493-L496 HydrophobicContact CB-CD1 4.2Å; D493-L496 HydrophobicContact CB-CG 4.11Å; D493-L496 PolarHBondContact O-N 3.23Å; D493-L496 PolarHBondContact OD1-N 3.49Å; D493-L496 VanDerWaalsContact OD1-N 3.13Å; D493-N497 PolarHBondContact O-N 3.32Å; D493-N497 PolarHBondContact O-ND2 3.09Å; D493-N497 VanDerWaalsContact O-ND2 3.11Å
494S91.9Very high88.8Confident54 Ų5433.5 Ų33.538%0.37820%0.2SC..Hα-helixtrans-64.3-32.8-178.856.80000113.9Q498S494-Q498 VanDerWaalsContact O-CG 3.26Å; S494-Q498 WeakPolarHBondContact O-CG 3.44Å; S494-Q498 PolarHBondContact O-N 3.37Å; S494-Q498 VanDerWaalsContact O-N 3.11Å
495M93.1Very high85.8Confident5 Ų538.3 Ų38.33%0.02523%0.231CC..Hα-helixtrans-71.1-42.6178.5179.1178.9-74.100110.6V120 F121 L163 E167 L171 D493 Q498 V499V120-M495 HydrophobicContact CB-CE 4.35Å; V120-M495 HydrophobicContact CG1-CE 3.82Å; F121-M495 HydrophobicContact CB-CG 4.33Å; F121-M495 HydrophobicContact CB-SD 4.09Å; F121-M495 HydrophobicContact CD2-SD 4.27Å; L163-M495 HydrophobicContact CD2-CE 3.71Å; E167-M495 HydrophobicContact CB-CE 3.79Å; E167-M495 HydrophobicContact CG-CB 4.32Å; E167-M495 HydrophobicContact CG-CE 3.98Å; L171-M495 HydrophobicContact CD2-CE 4.19Å; L171-M495 HydrophobicContact CD2-SD 3.45Å; L171-M495 WeakPolarHBondContact CD2-SD 3.3Å; L171-M495 HydrophobicContact CG-SD 4.25Å; D493-M495 VanDerWaalsContact C-N 3.32Å; D493-M495 PolarHBondContact O-N 2.65Å; D493-M495 WeakPolarHBondContact OD1-CA 3.42Å; D493-M495 VanDerWaalsContact OD1-CB 3.25Å; D493-M495 WeakPolarHBondContact OD1-CB 3.35Å; D493-M495 PolarHBondContact OD1-N 3.44Å; M495-Q498 WeakPolarHBondContact O-CB 3.5Å; M495-Q498 PolarHBondContact O-N 3.34Å; M495-V499 PolarHBondContact O-N 2.62Å; M495-V499 VanDerWaalsContact O-N 3.15Å
496L94.4Very high82.9Confident2 Ų244.9 Ų44.91%0.0127%0.272CS..Hα-helixtrans-64.5-39.9175.7-65-174.7000112.1F121 Q300 M484 D493 Q498 V499 S500F121-L496 HydrophobicContact CD2-CD2 4.16Å; F121-L496 HydrophobicContact CE2-CD2 3.64Å; F121-L496 HydrophobicContact CZ-CD2 3.95Å; Q300-L496 HydrophobicContact CB-CD1 4.04Å; Q300-L496 HydrophobicContact CG-CD1 4.07Å; M484-L496 HydrophobicContact CB-CD2 4.22Å; M484-L496 HydrophobicContact CE-CD1 3.99Å; M484-L496 HydrophobicContact CE-CD2 4.16Å; D493-L496 HydrophobicContact CB-CB 4.18Å; D493-L496 HydrophobicContact CB-CD1 4.2Å; D493-L496 HydrophobicContact CB-CG 4.11Å; D493-L496 PolarHBondContact O-N 3.23Å; D493-L496 PolarHBondContact OD1-N 3.49Å; D493-L496 VanDerWaalsContact OD1-N 3.13Å; L496-Q498 VanDerWaalsContact C-N 3.28Å; L496-Q498 PolarHBondContact O-N 2.66Å; L496-V499 HydrophobicContact CD2-CG2 4.44Å; L496-V499 WeakPolarHBondContact O-CG2 2.93Å; L496-V499 PolarHBondContact O-N 3.11Å; L496-S500 WeakPolarHBondContact O-CB 3.18Å; L496-S500 PolarHBondContact O-N 3.1Å
497N93Very high79.7Confident45 Ų4551.7 Ų51.724%0.24131%0.308CS..Hα-helixtrans-60-37.2173.2-66.7-26.1000112.1G488 Q489 S491 D493G488-N497 PolarHBondContact O-OD1 3Å; Q489-N497 VanDerWaalsContact CA-OD1 3.27Å; Q489-N497 WeakPolarHBondContact CA-OD1 3.37Å; Q489-N497 PolarHBondContact O-OD1 2.79Å; S491-N497 PolarHBondContact O-ND2 3.49Å; S491-N497 PolarHBondContact O-OD1 3.4Å; D493-N497 PolarHBondContact O-N 3.32Å; D493-N497 PolarHBondContact O-ND2 3.09Å; D493-N497 VanDerWaalsContact O-ND2 3.11Å
498Q90.3Very high76.6Confident126 Ų12658.8 Ų58.859%0.58934%0.339SS*.Hα-helixtrans-70.7-37.2179-77.2172.89.100113.7S494 M495 L496 S500S494-Q498 VanDerWaalsContact O-CG 3.26Å; S494-Q498 WeakPolarHBondContact O-CG 3.44Å; S494-Q498 PolarHBondContact O-N 3.37Å; S494-Q498 VanDerWaalsContact O-N 3.11Å; M495-Q498 WeakPolarHBondContact O-CB 3.5Å; M495-Q498 PolarHBondContact O-N 3.34Å; L496-Q498 VanDerWaalsContact C-N 3.28Å; L496-Q498 PolarHBondContact O-N 2.66Å; Q498-S500 VanDerWaalsContact C-N 3.33Å
499V92.1Very high73.5Confident14 Ų1462.7 Ų62.79%0.08536%0.364CS..Hα-helixtrans-84.8-10.3178.9-59.70000112.6F121 S403 A485 M495 L496F121-V499 HydrophobicContact CB-CG1 4.05Å; F121-V499 HydrophobicContact CD1-CG1 4.42Å; F121-V499 HydrophobicContact CD1-CG2 4.11Å; F121-V499 HydrophobicContact CE1-CG2 4.46Å; F121-V499 HydrophobicContact CG-CG1 4.46Å; F121-V499 HydrophobicContact CG-CG2 4.46Å; S403-V499 PolarHBondContact OG-O 2.83Å; S403-V499 VanDerWaalsContact OG-O 3.05Å; A485-V499 HydrophobicContact CB-CG2 3.94Å; M495-V499 PolarHBondContact O-N 2.62Å; M495-V499 VanDerWaalsContact O-N 3.15Å; L496-V499 HydrophobicContact CD2-CG2 4.44Å; L496-V499 WeakPolarHBondContact O-CG2 2.93Å; L496-V499 PolarHBondContact O-N 3.11Å
500S93.3Very high71.1Confident8 Ų867.1 Ų67.16%0.05639%0.385CS..  trans-71.6131.8-178.3-161.50000112.3A485 L486 Q489 L496 Q498 L502A485-S500 WeakPolarHBondContact O-CA 3.45Å; A485-S500 VanDerWaalsContact O-CB 3.29Å; A485-S500 WeakPolarHBondContact O-CB 3.27Å; A485-S500 PolarHBondContact O-OG 3.44Å; L486-S500 PolarHBondContact O-OG 3.09Å; Q489-S500 PolarHBondContact N-OG 2.83Å; L496-S500 WeakPolarHBondContact O-CB 3.18Å; L496-S500 PolarHBondContact O-N 3.1Å; Q498-S500 VanDerWaalsContact C-N 3.33Å; S500-L502 VanDerWaalsContact C-N 3.31Å
501P89.1Confident68.3Low16 Ų1671.6 Ų71.610%0.10441%0.406CS..SBendtrans-83.1-7.6-178.537.3-41.7000113.8A396 R399 A400 L486A396-P501 HydrophobicContact CB-CB 4.19Å; A396-P501 HydrophobicContact CB-CG 3.81Å; A396-P501 VanDerWaalsContact O-CG 3.27Å; A396-P501 WeakPolarHBondContact O-CG 3.2Å; R399-P501 HydrophobicContact CB-CB 3.57Å; R399-P501 PolarHBondContact NH2-O 3.07Å; R399-P501 VanDerWaalsContact NH2-O 3.13Å; A400-P501 HydrophobicContact CB-CG 3.92Å; L486-P501 HydrophobicContact CD1-CG 3.92Å
502L80.4Confident65.6Low29 Ų2975.8 Ų75.815%0.15243%0.426CS..SBendtrans-106125.7-179.3-66.2172000108Q392 W393 A396 L486 Q489 S500Q392-L502 HydrophobicContact CG-CD2 4.41Å; W393-L502 HydrophobicContact CD2-CD1 4.45Å; W393-L502 HydrophobicContact CE3-CD1 4.25Å; W393-L502 HydrophobicContact CH2-CD1 3.57Å; W393-L502 HydrophobicContact CZ2-CD1 3.78Å; W393-L502 HydrophobicContact CZ3-CD1 3.82Å; A396-L502 HydrophobicContact CB-CD2 3.75Å; A396-L502 HydrophobicContact CB-CG 3.98Å; L486-L502 HydrophobicContact CD1-CD1 4.39Å; Q489-L502 WeakPolarHBondContact CB-O 3.39Å; Q489-L502 WeakPolarHBondContact CG-O 3.48Å; S500-L502 VanDerWaalsContact C-N 3.31Å
503G57.4Low63.1Low61 Ų6174.8 Ų74.863%0.62942%0.423SS*.SBendtrans101-7.217600000116.8P505G503-P505 WeakPolarHBondContact O-CD 3.18Å
504A43Very low60.4Low70 Ų7080.9 Ų80.958%0.57945%0.451SS*.  trans-72.8124166.700000109.5T506A504-T506 PolarHBondContact O-N 2.62Å; A504-T506 VanDerWaalsContact O-N 3.14Å
505P35.3Very low57.8Low103 Ų10387.3 Ų87.367%0.66947%0.467SS*.  trans-59124.1166.323.6-29.7000107.4G503 N507G503-P505 WeakPolarHBondContact O-CD 3.18Å; P505-N507 PolarHBondContact O-N 3.32Å
506T37.3Very low55.3Low138 Ų13892.2 Ų92.285%0.84749%0.493SS*.  trans-67.364.6174.347.80000110A504A504-T506 PolarHBondContact O-N 2.62Å; A504-T506 VanDerWaalsContact O-N 3.14Å
507N30.6Very low52.6Low143 Ų14396.2 Ų96.277%0.76552%0.52SS*.  trans-103.87.2176.4-84-7.1000112.2P505P505-N507 PolarHBondContact O-N 3.32Å
508K33.2Very low50Low158 Ų158101.4 Ų101.469%0.68754%0.541SS*.SBendtrans-104.1118.9163.6-72.2-173.3176.7-174.60107.5
509P31Very low47.5Very low84 Ų84106.9 Ų106.955%0.54556%0.556SS.*  trans-55.5144.7171.423.7-30.7000108.4D511 Q512P509-D511 HydrophobicContact CB-CB 4.34Å; P509-D511 HydrophobicContact CG-CB 4.5Å; P509-D511 PolarHBondContact O-N 3.47Å; P509-Q512 PolarHBondContact O-N 3.37Å; P509-Q512 VanDerWaalsContact O-N 3.13Å
510E40.4Very low45.1Very low182 Ų182116.2 Ų116.285%0.8559%0.59SS**G310 helixtrans-48.3-20.7178.1-67.5-179.4140.700112.7Q512 M513E510-Q512 PolarHBondContact O-N 3.46Å; E510-M513 PolarHBondContact O-N 3.26Å
511D34.2Very low42.5Very low108 Ų108127.2 Ų127.258%0.57863%0.63SS**G310 helixtrans-59.1-22.9175.4-72.3-13.9000117P509P509-D511 HydrophobicContact CB-CB 4.34Å; P509-D511 HydrophobicContact CG-CB 4.5Å; P509-D511 PolarHBondContact O-N 3.47Å
512Q34.3Very low39.9Very low88 Ų88133.9 Ų133.941%0.41166%0.664SS.*G310 helixtrans-81-23.8178.6-92-171.56.400113.7P509 E510 E514P509-Q512 PolarHBondContact O-N 3.37Å; P509-Q512 VanDerWaalsContact O-N 3.13Å; E510-Q512 PolarHBondContact O-N 3.46Å; Q512-E514 VanDerWaalsContact C-N 3.3Å
513M38.4Very low37.8Very low125 Ų125142.5 Ų142.562%0.61672%0.717SS**THydrogen-bonded Turntrans-82.8-9.5171.4-76.8177.867.400112.7E510 R515E510-M513 PolarHBondContact O-N 3.26Å; M513-R515 VanDerWaalsContact C-N 3.32Å
514E36.1Very low36.8Very low140 Ų140146.6 Ų146.665%0.65472%0.722SS**THydrogen-bonded Turntrans-79-9.7169.9-84.5-159148.200114.2Q512 D516 C517Q512-E514 VanDerWaalsContact C-N 3.3Å; E514-D516 PolarHBondContact O-N 2.87Å; E514-C517 PolarHBondContact O-N 3.02Å
515R36.4Very low36.5Very low188 Ų188150.6 Ų150.671%0.70973%0.729SS**THydrogen-bonded Turntrans-7270.1176.7-68.7-172.5-174.3-173.21.8111.7M513M513-R515 VanDerWaalsContact C-N 3.32Å
516D40.2Very low36.6Very low109 Ų109153.3 Ų153.358%0.58373%0.733SS**THydrogen-bonded Turntrans167.622.6140.4-90-18000113.8E514 K518E514-D516 PolarHBondContact O-N 2.87Å; D516-K518 PolarHBondContact O-N 3.01Å
517C39.3Very low36.5Very low85 Ų85154.2 Ų154.257%0.57473%0.726SS**  trans-79.157167.6-92.50000112.7E514 R519E514-C517 PolarHBondContact O-N 3.02Å; C517-R519 PolarHBondContact O-N 3.17Å; C517-R519 VanDerWaalsContact O-N 3.09Å
518K38.3Very low36.9Very low155 Ų155154.9 Ų154.967%0.67472%0.723SS**  trans-68.3109.1161.9-80.6-174.7-179.5174.10108.7D516 R520D516-K518 PolarHBondContact O-N 3.01Å; K518-R520 PolarHBondContact O-N 3Å
519R37.1Very low37.1Very low241 Ų241154.7 Ų154.791%0.90973%0.726SS**  trans-27.5118.3174.1-73178.5176.5178.1-1.8111.7C517 R521C517-R519 PolarHBondContact O-N 3.17Å; C517-R519 VanDerWaalsContact O-N 3.09Å; R519-R521 PolarHBondContact O-N 2.74Å
520R41.5Very low37.6Very low210 Ų210159.7 Ų159.779%0.79274%0.739SS**  trans-57.7126.5160.5-86.5-174.2176.2-172.9-1.5107.3K518 L522K518-R520 PolarHBondContact O-N 3Å; R520-L522 VanDerWaalsContact C-N 3.34Å; R520-L522 PolarHBondContact O-N 2.87Å
521R38.3Very low37.4Very low239 Ų239158 Ų15890%0.90273%0.73SS**  trans-68.4106145.6-93.3-175178.4179.8-0.5104.7R519 V523R519-R521 PolarHBondContact O-N 2.74Å; R521-V523 PolarHBondContact O-N 3.19Å
522L35Very low37.6Very low156 Ų156162.2 Ų162.282%0.81774%0.743SS**  trans-59.5121.3166.4-68.8159.9000106.3R520R520-L522 VanDerWaalsContact C-N 3.34Å; R520-L522 PolarHBondContact O-N 2.87Å
523V36.6Very low37.9Very low210 Ų210168.9 Ų168.9100%1.27377%0.773SS**  trans-107.10159.9-176.20000106R521R521-V523 PolarHBondContact O-N 3.19Å

Retrieved 523 of 523 residues in 234.8 ms (Link to these results)

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