A0A077Z5X3_TRITR Loading...

phosphoglucomutase (alpha-D-glucose-1,6-bisphosphate-dependent)

AlphaFold DB , UniProt , Accession A0A077Z5X3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 527 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
1M79.3Confident95.4Very high117 Ų11772.3 Ų72.358%0.57633%0.333SS*.  0127.60-17717462.600108.8A6 L39 V40M1-A6 HydrophobicContact SD-CB 3.98Å; M1-L39 HydrophobicContact CE-CD2 3.61Å; M1-L39 HydrophobicContact CE-CG 4.43Å; M1-V40 HydrophobicContact SD-CG2 4.45Å
2Q90.1Very high95.7Very high141 Ų14166.3 Ų66.366%0.65931%0.306SS*.  trans-66.7145.6175.8179.7179.5-15.200110.9Y5Q2-Y5 HydrophobicContact CB-CD2 4.4Å; Q2-Y5 WeakPolarHBondContact O-CB 3.34Å; Q2-Y5 PolarHBondContact O-N 3.3Å
3E94.3Very high95.9Very high154 Ų15461.3 Ų61.372%0.7228%0.283SS*.THydrogen-bonded Turntrans-57.7138.4178.5-165178.6-168.700111.6Y5E3-Y5 PolarHBondContact O-N 3.09Å
4H97.1Very high96.1Very high75 Ų7557 Ų5735%0.34726%0.263SS..THydrogen-bonded Turntrans56.71.7-178.6-50.3-51.5000117.2E7 N8 Y127H4-E7 PolarHBondContact O-N 3.2Å; H4-N8 VanDerWaalsContact O-CB 3.32Å; H4-N8 WeakPolarHBondContact O-CB 3.13Å; H4-N8 PolarHBondContact O-N 2.98Å; H4-N8 PolarHBondContact O-OD1 3.43Å; H4-Y127 HydrophobicContact CB-CE1 4.29Å; H4-Y127 AromaticContact ND1-CE1 3.75Å; H4-Y127 AromaticContact ND1-CZ 3.84Å; H4-Y127 PolarHBondContact ND1-OH 3.18Å
5Y97.5Very high96.3Very high151 Ų15156.9 Ų56.959%0.59227%0.265SS*.Hα-helixtrans-63.5-51.3-173.2-166.9-84.7000112.1Q2 E3 F9Q2-Y5 HydrophobicContact CB-CD2 4.4Å; Q2-Y5 WeakPolarHBondContact O-CB 3.34Å; Q2-Y5 PolarHBondContact O-N 3.3Å; E3-Y5 PolarHBondContact O-N 3.09Å; Y5-F9 PolarHBondContact O-N 3.48Å
6A97.7Very high96.4Very high6 Ų653.3 Ų53.35%0.0525%0.249CC..Hα-helixtrans-66.4-42.4177.700000111.3M1 N8 F9 I10 K43M1-A6 HydrophobicContact SD-CB 3.98Å; A6-N8 PolarHBondContact O-N 3.02Å; A6-F9 PolarHBondContact O-N 3.26Å; A6-I10 HydrophobicContact CB-CD1 4.49Å; A6-I10 WeakPolarHBondContact O-CB 3.34Å; A6-I10 WeakPolarHBondContact O-CD1 3.39Å; A6-I10 WeakPolarHBondContact O-CG1 3.45Å; A6-I10 PolarHBondContact O-N 2.66Å; A6-K43 HydrophobicContact CB-CD 4.25Å
7E98.6Very high96.4Very high25 Ų2551.4 Ų51.412%0.11725%0.246CC..Hα-helixtrans-60-46.2179.2-6894.5144.700112.7H4 F9 I10 Q11 K43 I47 Y127H4-E7 PolarHBondContact O-N 3.2Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 3.28Å; E7-I10 PolarHBondContact O-N 2.98Å; E7-Q11 WeakPolarHBondContact O-CB 3.37Å; E7-Q11 PolarHBondContact O-N 3.01Å; E7-K43 HydrophobicContact CG-CD 4.18Å; E7-K43 IonicContact OE1-NZ 3.85Å; E7-K43 PolarHBondContact OE1-NZ 3.17Å; E7-K43 IonicContact OE2-NZ 2.73Å; E7-K43 PolarHBondContact OE2-NZ 2.94Å; E7-I47 HydrophobicContact CB-CD1 3.77Å; E7-I47 HydrophobicContact CG-CD1 3.81Å; E7-Y127 HydrophobicContact CB-CD1 4.13Å; E7-Y127 HydrophobicContact CB-CD2 4.02Å; E7-Y127 HydrophobicContact CB-CE1 3.94Å; E7-Y127 HydrophobicContact CB-CE2 3.81Å; E7-Y127 HydrophobicContact CB-CG 4.17Å; E7-Y127 HydrophobicContact CG-CD2 4.49Å; E7-Y127 HydrophobicContact CG-CE2 3.9Å
8N98.7Very high96.5Very high52 Ų5249.3 Ų49.328%0.27824%0.236SC..Hα-helixtrans-60.9-44.4177.7-73.8-2.8000111H4 A6 Q11 C12 I124 Y127H4-N8 VanDerWaalsContact O-CB 3.32Å; H4-N8 WeakPolarHBondContact O-CB 3.13Å; H4-N8 PolarHBondContact O-N 2.98Å; H4-N8 PolarHBondContact O-OD1 3.43Å; A6-N8 PolarHBondContact O-N 3.02Å; N8-Q11 PolarHBondContact O-N 3.17Å; N8-C12 WeakPolarHBondContact O-CB 3.12Å; N8-C12 PolarHBondContact O-N 3.32Å; N8-C12 PolarHBondContact O-SG 3.47Å; N8-I124 HydrophobicContact CB-CD1 4.27Å; N8-I124 HydrophobicContact CB-CG2 4.21Å; N8-Y127 WeakPolarHBondContact OD1-CD1 3.32Å
9F98.6Very high96.5Very high68 Ų6852.9 Ų52.930%0.29825%0.251SS..Hα-helixtrans-67-44.4179.8-165.3-114.1000112.2Y5 A6 E7 Q11 C12 I13 I99 I117 T121Y5-F9 PolarHBondContact O-N 3.48Å; A6-F9 PolarHBondContact O-N 3.26Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 3.28Å; F9-Q11 VanDerWaalsContact C-N 3.34Å; F9-Q11 PolarHBondContact O-N 2.74Å; F9-C12 CarbonylContact O-C 3.54Å; F9-C12 PolarHBondContact O-N 2.92Å; F9-I13 HydrophobicContact CD1-CD1 3.73Å; F9-I13 HydrophobicContact CD1-CG1 4.3Å; F9-I13 HydrophobicContact CE1-CD1 3.64Å; F9-I13 HydrophobicContact CE1-CG1 4.14Å; F9-I13 HydrophobicContact CZ-CD1 4.43Å; F9-I13 HydrophobicContact CZ-CG1 4.49Å; F9-I13 WeakPolarHBondContact O-CG1 3.43Å; F9-I13 PolarHBondContact O-N 3.22Å; F9-I99 HydrophobicContact CD1-CB 3.99Å; F9-I99 HydrophobicContact CD1-CD1 4.13Å; F9-I99 HydrophobicContact CD1-CG2 4.08Å; F9-I99 HydrophobicContact CE1-CB 3.92Å; F9-I99 HydrophobicContact CE1-CG2 4.07Å; F9-I117 HydrophobicContact CE2-CG2 4.01Å; F9-I117 HydrophobicContact CZ-CG2 4.46Å; F9-T121 HydrophobicContact CD2-CG2 3.73Å; F9-T121 HydrophobicContact CE2-CG2 4.18Å
10I98.8Very high96.4Very high1 Ų157.8 Ų57.81%0.00527%0.273CS..Hα-helixtrans-60.1-44.9176.3-66.1160000110.6A6 E7 C12 I13 L14 V40 K43 I44 I47 I82 I99A6-I10 HydrophobicContact CB-CD1 4.49Å; A6-I10 WeakPolarHBondContact O-CB 3.34Å; A6-I10 WeakPolarHBondContact O-CD1 3.39Å; A6-I10 WeakPolarHBondContact O-CG1 3.45Å; A6-I10 PolarHBondContact O-N 2.66Å; E7-I10 PolarHBondContact O-N 2.98Å; I10-C12 VanDerWaalsContact C-N 3.32Å; I10-C12 PolarHBondContact O-N 3.36Å; I10-I13 WeakPolarHBondContact O-CB 3.45Å; I10-I13 PolarHBondContact O-N 3.16Å; I10-L14 WeakPolarHBondContact O-CG 3.33Å; I10-L14 PolarHBondContact O-N 3.38Å; I10-L14 VanDerWaalsContact O-N 3.1Å; I10-V40 HydrophobicContact CD1-CG1 4.27Å; I10-K43 HydrophobicContact CD1-CB 4.09Å; I10-I44 HydrophobicContact CD1-CG1 3.68Å; I10-I44 HydrophobicContact CG1-CG1 4.11Å; I10-I44 HydrophobicContact CG2-CG1 4.37Å; I10-I47 HydrophobicContact CB-CD1 4.01Å; I10-I47 HydrophobicContact CD1-CD1 4.28Å; I10-I47 HydrophobicContact CG2-CB 4.01Å; I10-I47 HydrophobicContact CG2-CD1 4Å; I10-I47 HydrophobicContact CG2-CG2 3.83Å; I10-I82 HydrophobicContact CG2-CD1 4.45Å; I10-I99 HydrophobicContact CG1-CD1 4.48Å
11Q98.8Very high96.4Very high5 Ų562.5 Ų62.52%0.02329%0.293CS..Hα-helixtrans-58.6-45.5175.5-178.465.962.200111.2E7 N8 F9 I13 L14 D15 N51 I124E7-Q11 WeakPolarHBondContact O-CB 3.37Å; E7-Q11 PolarHBondContact O-N 3.01Å; N8-Q11 PolarHBondContact O-N 3.17Å; F9-Q11 VanDerWaalsContact C-N 3.34Å; F9-Q11 PolarHBondContact O-N 2.74Å; Q11-I13 VanDerWaalsContact C-N 3.33Å; Q11-I13 PolarHBondContact O-N 3.22Å; Q11-L14 PolarHBondContact O-N 3.4Å; Q11-D15 VanDerWaalsContact NE2-CG 3.31Å; Q11-D15 PolarHBondContact NE2-OD1 3.25Å; Q11-D15 PolarHBondContact NE2-OD2 3.34Å; Q11-D15 PolarHBondContact O-N 3.49Å; Q11-N51 PolarHBondContact NE2-OD1 3.45Å; Q11-N51 PolarHBondContact OE1-ND2 3.4Å; Q11-I124 HydrophobicContact CB-CD1 3.91Å; Q11-I124 HydrophobicContact CG-CD1 3.78Å
12C98.7Very high97.3Very high1 Ų158.2 Ų58.21%0.00727%0.271CS..Hα-helixtrans-66.3-32.1177.7-65.70000112.9N8 F9 I10 G16 I117 L120 T121N8-C12 WeakPolarHBondContact O-CB 3.12Å; N8-C12 PolarHBondContact O-N 3.32Å; N8-C12 PolarHBondContact O-SG 3.47Å; F9-C12 CarbonylContact O-C 3.54Å; F9-C12 PolarHBondContact O-N 2.92Å; I10-C12 VanDerWaalsContact C-N 3.32Å; I10-C12 PolarHBondContact O-N 3.36Å; C12-G16 WeakPolarHBondContact O-CA 3.21Å; C12-G16 PolarHBondContact O-N 2.8Å; C12-I117 HydrophobicContact CB-CG2 4.05Å; C12-L120 HydrophobicContact CB-CB 4.14Å; C12-T121 HydrophobicContact CB-CG2 3.7Å
13I98.7Very high97.6Very high1 Ų158.4 Ų58.41%0.00527%0.27CS..Iπ-helixtrans-61.2-47.3171.3-72.9168.7000110F9 I10 Q11 G17 L18 I82 I99 F101 I117F9-I13 HydrophobicContact CD1-CD1 3.73Å; F9-I13 HydrophobicContact CD1-CG1 4.3Å; F9-I13 HydrophobicContact CE1-CD1 3.64Å; F9-I13 HydrophobicContact CE1-CG1 4.14Å; F9-I13 HydrophobicContact CZ-CD1 4.43Å; F9-I13 HydrophobicContact CZ-CG1 4.49Å; F9-I13 WeakPolarHBondContact O-CG1 3.43Å; F9-I13 PolarHBondContact O-N 3.22Å; I10-I13 WeakPolarHBondContact O-CB 3.45Å; I10-I13 PolarHBondContact O-N 3.16Å; Q11-I13 VanDerWaalsContact C-N 3.33Å; Q11-I13 PolarHBondContact O-N 3.22Å; I13-G17 WeakPolarHBondContact O-CA 3.21Å; I13-G17 PolarHBondContact O-N 2.84Å; I13-L18 PolarHBondContact O-N 2.82Å; I13-I82 HydrophobicContact CG2-CD1 4.16Å; I13-I82 HydrophobicContact CG2-CG1 4.16Å; I13-I99 HydrophobicContact CD1-CG2 3.68Å; I13-F101 HydrophobicContact CD1-CB 4.5Å; I13-F101 HydrophobicContact CG2-CB 4.26Å; I13-F101 HydrophobicContact CG2-CD1 4.16Å; I13-F101 HydrophobicContact CG2-CD2 3.33Å; I13-F101 HydrophobicContact CG2-CE1 4.4Å; I13-F101 HydrophobicContact CG2-CE2 3.63Å; I13-F101 HydrophobicContact CG2-CG 3.65Å; I13-F101 HydrophobicContact CG2-CZ 4.17Å; I13-I117 HydrophobicContact CG1-CD1 4.45Å; I13-I117 HydrophobicContact CG1-CG2 4.34Å
14L98.7Very high97.8Very high1 Ų153.5 Ų53.51%0.00526%0.261CS..Iπ-helixtrans-65.1-45.2179.6-60.3-177000111.4I10 Q11 L18 K19 K22 L27 I47 N51 V53I10-L14 WeakPolarHBondContact O-CG 3.33Å; I10-L14 PolarHBondContact O-N 3.38Å; I10-L14 VanDerWaalsContact O-N 3.1Å; Q11-L14 PolarHBondContact O-N 3.4Å; L14-L18 HydrophobicContact CD2-CD1 4.1Å; L14-L18 WeakPolarHBondContact O-CB 3.32Å; L14-L18 PolarHBondContact O-N 2.93Å; L14-K19 PolarHBondContact O-N 3Å; L14-K22 HydrophobicContact CB-CD 4.1Å; L14-L27 HydrophobicContact CD2-CD1 3.72Å; L14-I47 HydrophobicContact CD1-CG2 3.94Å; L14-N51 HydrophobicContact CD1-CB 3.71Å; L14-V53 HydrophobicContact CD1-CG2 4.46Å; L14-V53 HydrophobicContact CD2-CG2 4.25Å
15D98.4Very high97.9Very high55 Ų5550 Ų5029%0.29424%0.244SC..Iπ-helixtrans-72.5-40.7-177.2-68.3-22.8000113Q11 K19 K22 L120Q11-D15 VanDerWaalsContact NE2-CG 3.31Å; Q11-D15 PolarHBondContact NE2-OD1 3.25Å; Q11-D15 PolarHBondContact NE2-OD2 3.34Å; Q11-D15 PolarHBondContact O-N 3.49Å; D15-K19 VanDerWaalsContact O-CA 3.24Å; D15-K19 WeakPolarHBondContact O-CA 3.47Å; D15-K19 WeakPolarHBondContact O-CG 2.72Å; D15-K19 PolarHBondContact O-N 3.28Å; D15-K22 IonicContact OD1-NZ 3.58Å; D15-K22 PolarHBondContact OD1-NZ 3.27Å; D15-L120 HydrophobicContact CB-CD1 3.87Å
16G97.6Very high98Very high0 Ų044 Ų440%022%0.224CC..Iπ-helixtrans-89.9-38.5-175.900000113.7C12 K19 N116 L120C12-G16 WeakPolarHBondContact O-CA 3.21Å; C12-G16 PolarHBondContact O-N 2.8Å; G16-K19 WeakPolarHBondContact O-CE 3.46Å; G16-N116 VanDerWaalsContact CA-ND2 3.33Å; G16-N116 WeakPolarHBondContact CA-ND2 3.46Å; G16-N116 PolarHBondContact O-ND2 2.98Å; G16-L120 VanDerWaalsContact CA-CD1 3.46Å
17G97.3Very high98Very high20 Ų2043.8 Ų43.821%0.20622%0.222CC..Iπ-helixtrans-82-54.9-177.100000113I13I13-G17 WeakPolarHBondContact O-CA 3.21Å; I13-G17 PolarHBondContact O-N 2.84Å
18L97.5Very high98Very high14 Ų1442.6 Ų42.67%0.07322%0.216CC..Iπ-helixtrans-91.1-25.8179.6-63.9-177.2000113.4I13 L14 K21 K22 A25 L27 D79 F101I13-L18 PolarHBondContact O-N 2.82Å; L14-L18 HydrophobicContact CD2-CD1 4.1Å; L14-L18 WeakPolarHBondContact O-CB 3.32Å; L14-L18 PolarHBondContact O-N 2.93Å; L18-K21 WeakPolarHBondContact O-CB 3.4Å; L18-K21 PolarHBondContact O-N 2.99Å; L18-K21 VanDerWaalsContact O-N 3.15Å; L18-K22 HydrophobicContact CB-CB 3.8Å; L18-K22 HydrophobicContact CD1-CB 4.06Å; L18-A25 HydrophobicContact CD1-CB 3.94Å; L18-L27 HydrophobicContact CD1-CD1 4.11Å; L18-L27 HydrophobicContact CD1-CD2 3.85Å; L18-L27 HydrophobicContact CD1-CG 4.06Å; L18-D79 HydrophobicContact CD2-CB 4.02Å; L18-F101 HydrophobicContact CD2-CZ 4.01Å; L18-F101 HydrophobicContact CG-CZ 4.15Å
19K97Very high98Very high119 Ų11940.1 Ų40.152%0.51720%0.203SC..G310 helixtrans55.6-141.4-177.7-52.7177.7-179.6179.50110.3L14 D15 G16 K21 K22L14-K19 PolarHBondContact O-N 3Å; D15-K19 VanDerWaalsContact O-CA 3.24Å; D15-K19 WeakPolarHBondContact O-CA 3.47Å; D15-K19 WeakPolarHBondContact O-CG 2.72Å; D15-K19 PolarHBondContact O-N 3.28Å; G16-K19 WeakPolarHBondContact O-CE 3.46Å; K19-K21 PolarHBondContact O-N 3.42Å; K19-K21 VanDerWaalsContact O-N 3.14Å; K19-K22 WeakPolarHBondContact O-CB 3.2Å; K19-K22 WeakPolarHBondContact O-CG 3.38Å; K19-K22 PolarHBondContact O-N 2.97Å; K19-K22 VanDerWaalsContact O-N 3.09Å
20E95.3Very high98Very high149 Ų14936.9 Ų36.970%0.69619%0.189SC*.G310 helixtrans-59.7-23.9178-63.6-53.9129.100113.7K22 K23E20-K22 PolarHBondContact O-N 3.05Å; E20-K23 PolarHBondContact O-N 3.23Å
21K96Very high98Very high158 Ų15836.8 Ų36.869%0.68719%0.188SC*.G310 helixtrans-67.8-13.7177.8-62.7-174.6176.5-176.50112.9L18 K19 K23 A25L18-K21 WeakPolarHBondContact O-CB 3.4Å; L18-K21 PolarHBondContact O-N 2.99Å; L18-K21 VanDerWaalsContact O-N 3.15Å; K19-K21 PolarHBondContact O-N 3.42Å; K19-K21 VanDerWaalsContact O-N 3.14Å; K21-K23 PolarHBondContact O-N 3.28Å; K21-K23 VanDerWaalsContact O-N 3.15Å; K21-A25 WeakPolarHBondContact O-CB 3.4Å
22K97.3Very high98Very high26 Ų2636.6 Ų36.611%0.11319%0.188CC..G310 helixtrans-55.4-3217774.3-173.2177.2169.30112.3L14 D15 L18 K19 E20 G24 A25 N51 V53L14-K22 HydrophobicContact CB-CD 4.1Å; D15-K22 IonicContact OD1-NZ 3.58Å; D15-K22 PolarHBondContact OD1-NZ 3.27Å; L18-K22 HydrophobicContact CB-CB 3.8Å; L18-K22 HydrophobicContact CD1-CB 4.06Å; K19-K22 WeakPolarHBondContact O-CB 3.2Å; K19-K22 WeakPolarHBondContact O-CG 3.38Å; K19-K22 PolarHBondContact O-N 2.97Å; K19-K22 VanDerWaalsContact O-N 3.09Å; E20-K22 PolarHBondContact O-N 3.05Å; K22-G24 PolarHBondContact O-N 3.27Å; K22-A25 WeakPolarHBondContact O-CB 3.34Å; K22-A25 PolarHBondContact O-N 3.27Å; K22-N51 HydrophobicContact CD-CB 4.26Å; K22-N51 PolarHBondContact NZ-OD1 3.28Å; K22-V53 WeakPolarHBondContact O-CA 3.29Å
23K97.8Very high98Very high145 Ų14537.5 Ų37.563%0.6320%0.197SC*.THydrogen-bonded Turntrans-70.3114.6175-68.9-177.7-178.51740109.9E20 K21 A25 G52E20-K23 PolarHBondContact O-N 3.23Å; K21-K23 PolarHBondContact O-N 3.28Å; K21-K23 VanDerWaalsContact O-N 3.15Å; K23-A25 VanDerWaalsContact C-N 3.27Å; K23-G52 CarbonylContact C-O 3.48Å; K23-G52 VanDerWaalsContact CA-O 3.29Å; K23-G52 WeakPolarHBondContact CA-O 3.46Å
24G98Very high97.9Very high51 Ų5137.6 Ų37.653%0.52620%0.197SC..THydrogen-bonded Turntrans810.7-175.900000114.6K22 G52K22-G24 PolarHBondContact O-N 3.27Å; G24-G52 PolarHBondContact N-O 3.36Å
25A98.6Very high97.9Very high1 Ų139.5 Ų39.51%0.00821%0.208CC..  trans-59.9152.4179.100000112.3L18 K21 K22 K23 V53 G54 H55 D79L18-A25 HydrophobicContact CD1-CB 3.94Å; K21-A25 WeakPolarHBondContact O-CB 3.4Å; K22-A25 WeakPolarHBondContact O-CB 3.34Å; K22-A25 PolarHBondContact O-N 3.27Å; K23-A25 VanDerWaalsContact C-N 3.27Å; A25-V53 WeakPolarHBondContact O-CG1 3.41Å; A25-G54 PolarHBondContact O-N 2.86Å; A25-H55 PolarHBondContact O-N 2.79Å; A25-D79 VanDerWaalsContact CA-OD2 3.28Å; A25-D79 WeakPolarHBondContact CA-OD2 3.36Å; A25-D79 HydrophobicContact CB-CB 4.13Å
26T98.9Very high97.8Very high27 Ų2739.3 Ų39.317%0.16621%0.206CC..EExtended strand (participates in β ladder)trans-100.5121.1163.1-58.30000109.2H55 K57 A78 D79T26-H55 CarbonylContact C-O 3.59Å; T26-H55 WeakPolarHBondContact CA-O 3.39Å; T26-H55 HydrophobicContact CG2-CB 3.99Å; T26-K57 HydrophobicContact CG2-CD 4.5Å; T26-A78 HydrophobicContact CG2-CB 3.94Å; T26-A78 WeakPolarHBondContact O-CB 3.29Å; T26-D79 PolarHBondContact N-OD2 2.78Å; T26-D79 PolarHBondContact O-N 3.45Å
27L98.9Very high97.9Very high0 Ų039.5 Ų39.50%021%0.207CC..EExtended strand (participates in β ladder)trans-109.3139.5173.4-79.2177000110.9L14 L18 V53 H55 I56 K57 F101L14-L27 HydrophobicContact CD2-CD1 3.72Å; L18-L27 HydrophobicContact CD1-CD1 4.11Å; L18-L27 HydrophobicContact CD1-CD2 3.85Å; L18-L27 HydrophobicContact CD1-CG 4.06Å; L27-V53 HydrophobicContact CB-CG1 4.47Å; L27-V53 HydrophobicContact CD1-CG1 4.17Å; L27-V53 HydrophobicContact CD1-CG2 4.1Å; L27-V53 HydrophobicContact CG-CG1 4.33Å; L27-H55 PolarHBondContact N-O 3.47Å; L27-I56 HydrophobicContact CB-CG1 4.45Å; L27-I56 CarbonylContact O-C 3.58Å; L27-I56 VanDerWaalsContact O-CA 3.28Å; L27-I56 WeakPolarHBondContact O-CA 3.38Å; L27-K57 PolarHBondContact O-N 2.91Å; L27-F101 HydrophobicContact CD2-CE2 4.38Å
28V98.9Very high97.9Very high0 Ų043.2 Ų43.20%022%0.222CC..EExtended strand (participates in β ladder)trans-89.3139.7160.9-179.50000108.9K57 M64 V69 A72 I73 A78 G80 A81 I82V28-K57 CarbonylContact C-O 3.54Å; V28-K57 VanDerWaalsContact CA-O 3.27Å; V28-K57 WeakPolarHBondContact CA-O 3.38Å; V28-K57 HydrophobicContact CG2-CB 4.45Å; V28-M64 HydrophobicContact CG1-CE 3.94Å; V28-M64 HydrophobicContact CG1-SD 4.02Å; V28-V69 HydrophobicContact CB-CG1 4.37Å; V28-V69 HydrophobicContact CG1-CG1 3.92Å; V28-V69 HydrophobicContact CG1-CG2 4.48Å; V28-A72 HydrophobicContact CG1-CB 4.06Å; V28-A72 HydrophobicContact CG2-CB 4.09Å; V28-I73 HydrophobicContact CB-CG1 4.13Å; V28-I73 HydrophobicContact CG2-CG1 3.92Å; V28-A78 HydrophobicContact CG2-CB 3.88Å; V28-G80 PolarHBondContact N-O 2.78Å; V28-A81 HydrophobicContact CB-CB 3.82Å; V28-A81 HydrophobicContact CG1-CB 4.5Å; V28-A81 CarbonylContact O-C 3.59Å; V28-A81 WeakPolarHBondContact O-CA 3.44Å; V28-A81 WeakPolarHBondContact O-CB 3.27Å; V28-I82 PolarHBondContact O-N 3.01Å
29V98.9Very high97.9Very high0 Ų046.5 Ų46.50%024%0.239CC..EExtended strand (participates in β ladder)trans-133.3130.3176-175.10000108.8F41 I44 I56 K57 M58 I82V29-F41 HydrophobicContact CG1-CD1 3.61Å; V29-F41 HydrophobicContact CG1-CE1 3.78Å; V29-I44 HydrophobicContact CG1-CD1 3.93Å; V29-I44 HydrophobicContact CG1-CG2 4.24Å; V29-I44 HydrophobicContact CG2-CG2 3.91Å; V29-I56 HydrophobicContact CB-CG2 4.11Å; V29-I56 HydrophobicContact CG2-CG2 3.7Å; V29-K57 PolarHBondContact N-O 2.85Å; V29-M58 HydrophobicContact CB-CE 3.95Å; V29-M58 HydrophobicContact CG1-CE 3.58Å; V29-M58 VanDerWaalsContact O-CA 3.32Å; V29-M58 WeakPolarHBondContact O-CA 3.46Å; V29-M58 VanDerWaalsContact O-CB 3.28Å; V29-M58 WeakPolarHBondContact O-CB 3.32Å; V29-M58 WeakPolarHBondContact O-CG 3.24Å; V29-I82 WeakPolarHBondContact CA-O 3.48Å
30G98.8Very high98Very high0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-164.9176.9178.300000111.1G62 I82 I83 L84G30-G62 CarbonylContact C-O 3.45Å; G30-G62 VanDerWaalsContact CA-O 3.31Å; G30-G62 WeakPolarHBondContact CA-O 3.3Å; G30-I82 PolarHBondContact N-O 3.02Å; G30-I83 CarbonylContact O-C 3.52Å; G30-I83 VanDerWaalsContact O-CA 3.32Å; G30-I83 WeakPolarHBondContact O-CA 3.26Å; G30-L84 PolarHBondContact O-N 2.91Å
31G98.6Very high98.1Very high0 Ų033.8 Ų33.80%018%0.182CC..EExtended strand (participates in β ladder)trans-168.3176.3-17800000112.4G33 G62 M64 L84G31-G33 VanDerWaalsContact C-N 3.34Å; G31-G62 PolarHBondContact N-O 2.88Å; G31-M64 PolarHBondContact O-N 3.46Å; G31-M64 VanDerWaalsContact O-N 3.1Å; G31-L84 WeakPolarHBondContact CA-O 3.49Å
32D98.3Very high98.2Very high1 Ų127.3 Ų27.31%0.00515%0.154CC..  trans-88.72.5-174.263.611.7000114.7R34 N37 L84 T85 V200 A260 D261D32-R34 VanDerWaalsContact C-N 3.33Å; D32-R34 VanDerWaalsContact CG-NE 3.33Å; D32-R34 VanDerWaalsContact OD1-CB 3.27Å; D32-R34 WeakPolarHBondContact OD1-CB 3.48Å; D32-R34 WeakPolarHBondContact OD1-CG 3.5Å; D32-R34 PolarHBondContact OD1-N 2.98Å; D32-R34 VanDerWaalsContact OD1-N 3.08Å; D32-R34 IonicContact OD1-NE 2.64Å; D32-R34 PolarHBondContact OD1-NE 3.02Å; D32-R34 IonicContact OD2-CZ 3.05Å; D32-R34 IonicContact OD2-NE 2.82Å; D32-R34 PolarHBondContact OD2-NE 2.67Å; D32-R34 IonicContact OD2-NH2 2.83Å; D32-R34 PolarHBondContact OD2-NH2 3.31Å; D32-N37 PolarHBondContact N-OD1 3.2Å; D32-L84 PolarHBondContact N-O 2.85Å; D32-L84 VanDerWaalsContact N-O 3.1Å; D32-T85 WeakPolarHBondContact OD2-CA 3.18Å; D32-T85 WeakPolarHBondContact OD2-CB 3.22Å; D32-T85 PolarHBondContact OD2-OG1 3.18Å; D32-V200 HydrophobicContact CB-CB 4.21Å; D32-V200 HydrophobicContact CB-CG1 4.16Å; D32-A260 HydrophobicContact CB-CB 4.38Å; D32-A260 WeakPolarHBondContact CB-O 3.48Å; D32-D261 HydrophobicContact CB-CB 4.37Å
33G97.8Very high98.3Very high20 Ų2027.3 Ų27.321%0.20615%0.154CC..  trans84.11.8179.300000114.5G31 N37 S227G31-G33 VanDerWaalsContact C-N 3.34Å; G33-N37 WeakPolarHBondContact CA-OD1 3.37Å; G33-N37 PolarHBondContact N-OD1 2.99Å; G33-S227 WeakPolarHBondContact O-CA 3.44Å
34R98Very high98.4Very high2 Ų220.4 Ų20.41%0.00812%0.124CC..  trans-61.4159.6178.573.9-179.558.6-135.9-1.7112.8D32 L36 N37 A86 S87 S89 P90 D96 F97 S227 F229D32-R34 VanDerWaalsContact C-N 3.33Å; D32-R34 VanDerWaalsContact CG-NE 3.33Å; D32-R34 VanDerWaalsContact OD1-CB 3.27Å; D32-R34 WeakPolarHBondContact OD1-CB 3.48Å; D32-R34 WeakPolarHBondContact OD1-CG 3.5Å; D32-R34 PolarHBondContact OD1-N 2.98Å; D32-R34 VanDerWaalsContact OD1-N 3.08Å; D32-R34 IonicContact OD1-NE 2.64Å; D32-R34 PolarHBondContact OD1-NE 3.02Å; D32-R34 IonicContact OD2-CZ 3.05Å; D32-R34 IonicContact OD2-NE 2.82Å; D32-R34 PolarHBondContact OD2-NE 2.67Å; D32-R34 IonicContact OD2-NH2 2.83Å; D32-R34 PolarHBondContact OD2-NH2 3.31Å; R34-L36 PolarHBondContact O-N 3.33Å; R34-N37 VanDerWaalsContact O-CB 3.25Å; R34-N37 WeakPolarHBondContact O-CB 3.28Å; R34-N37 PolarHBondContact O-N 3.08Å; R34-A86 VanDerWaalsContact CZ-N 3.27Å; R34-S87 PolarHBondContact NH2-O 3.29Å; R34-S89 PolarHBondContact NH1-O 3.37Å; R34-S89 PolarHBondContact NH2-O 3.32Å; R34-P90 PolarHBondContact NH1-O 3.41Å; R34-D96 WeakPolarHBondContact CD-O 3.5Å; R34-D96 PolarHBondContact NH1-O 3.13Å; R34-D96 VanDerWaalsContact NH1-O 3.08Å; R34-F97 HydrophobicContact CG-CD2 3.93Å; R34-F97 HydrophobicContact CG-CE2 4.08Å; R34-S227 CarbonylContact C-O 3.57Å; R34-S227 WeakPolarHBondContact CA-O 3.23Å; R34-F229 HydrophobicContact CB-CE1 4.46Å; R34-F229 HydrophobicContact CB-CE2 4.08Å; R34-F229 HydrophobicContact CB-CZ 3.65Å
35N97.7Very high98.4Very high42 Ų4218 Ų1823%0.22510%0.099CC..THydrogen-bonded Turntrans-45.7140.6175.2-175.448.7000111.7N37 G92 Q93 F97 S227N35-N37 VanDerWaalsContact C-N 3.34Å; N35-N37 PolarHBondContact O-N 2.89Å; N35-G92 WeakPolarHBondContact CB-O 3.31Å; N35-G92 PolarHBondContact ND2-O 2.87Å; N35-G92 VanDerWaalsContact ND2-O 3.14Å; N35-Q93 WeakPolarHBondContact ND2-CA 3.43Å; N35-Q93 PolarHBondContact ND2-OE1 2.87Å; N35-F97 WeakPolarHBondContact O-CD2 3.41Å; N35-F97 VanDerWaalsContact O-CE2 3.31Å; N35-F97 WeakPolarHBondContact O-CE2 3.11Å; N35-S227 PolarHBondContact N-O 3.01Å
36L97.6Very high98.4Very high50 Ų5020.8 Ų20.826%0.26211%0.109SC..THydrogen-bonded Turntrans75.5-9.6-172.4-49.1173.4000117.4R34 D38 L39 V40 F97R34-L36 PolarHBondContact O-N 3.33Å; L36-D38 PolarHBondContact O-N 3.33Å; L36-L39 HydrophobicContact CD2-CD2 4.2Å; L36-L39 PolarHBondContact O-N 2.79Å; L36-V40 HydrophobicContact CB-CG2 4.41Å; L36-V40 WeakPolarHBondContact O-CG2 3.39Å; L36-V40 PolarHBondContact O-N 3.07Å; L36-F97 HydrophobicContact CB-CD2 3.83Å; L36-F97 HydrophobicContact CB-CE2 3.68Å; L36-F97 HydrophobicContact CB-CZ 4.31Å; L36-F97 HydrophobicContact CD1-CD2 4.37Å; L36-F97 HydrophobicContact CD1-CG 4.45Å
37N98.3Very high98.4Very high5 Ų519.5 Ų19.53%0.02710%0.102CC..Hα-helixtrans-51.3-53.9177.8-99.9-156.1000111.6D32 G33 R34 N35 L39 V40 F41 L84 F97D32-N37 PolarHBondContact N-OD1 3.2Å; G33-N37 WeakPolarHBondContact CA-OD1 3.37Å; G33-N37 PolarHBondContact N-OD1 2.99Å; R34-N37 VanDerWaalsContact O-CB 3.25Å; R34-N37 WeakPolarHBondContact O-CB 3.28Å; R34-N37 PolarHBondContact O-N 3.08Å; N35-N37 VanDerWaalsContact C-N 3.34Å; N35-N37 PolarHBondContact O-N 2.89Å; N37-L39 VanDerWaalsContact C-N 3.34Å; N37-L39 PolarHBondContact O-N 3.24Å; N37-V40 PolarHBondContact O-N 3.27Å; N37-V40 VanDerWaalsContact O-N 3.13Å; N37-F41 HydrophobicContact CB-CD2 4.36Å; N37-F41 HydrophobicContact CB-CE2 3.81Å; N37-F41 HydrophobicContact CB-CZ 4.27Å; N37-F41 WeakPolarHBondContact O-CD2 3.49Å; N37-F41 VanDerWaalsContact O-CG 3.28Å; N37-F41 WeakPolarHBondContact O-CG 3.36Å; N37-F41 PolarHBondContact O-N 3.12Å; N37-L84 WeakPolarHBondContact ND2-CB 3.44Å; N37-L84 PolarHBondContact ND2-O 3Å; N37-F97 WeakPolarHBondContact ND2-CE2 3.5Å
38D97.8Very high98.4Very high97 Ų9719.6 Ų19.652%0.51910%0.102SC..Hα-helixtrans-57.3-44.8-178.8-71.7-28.6000113.4L36 V40 Q42 Y137L36-D38 PolarHBondContact O-N 3.33Å; D38-V40 VanDerWaalsContact C-N 3.33Å; D38-V40 PolarHBondContact O-N 2.88Å; D38-Q42 PolarHBondContact O-N 3.32Å; D38-Y137 VanDerWaalsContact CA-OH 3.22Å; D38-Y137 WeakPolarHBondContact CA-OH 3.49Å; D38-Y137 WeakPolarHBondContact CB-OH 3.12Å; D38-Y137 PolarHBondContact OD1-OH 2.88Å
39L97.5Very high98.4Very high83 Ų8319.7 Ų19.744%0.43510%0.103SC..Hα-helixtrans-62.9-43.2178.9179.264.5000111.1M1 L36 N37 K43M1-L39 HydrophobicContact CE-CD2 3.61Å; M1-L39 HydrophobicContact CE-CG 4.43Å; L36-L39 HydrophobicContact CD2-CD2 4.2Å; L36-L39 PolarHBondContact O-N 2.79Å; N37-L39 VanDerWaalsContact C-N 3.34Å; N37-L39 PolarHBondContact O-N 3.24Å; L39-K43 PolarHBondContact O-N 2.99Å
40V98.4Very high98.3Very high1 Ų120.5 Ų20.51%0.00611%0.11CC..Hα-helixtrans-77.3-32.5-176.6177.10000111.5M1 I10 L36 N37 D38 Q42 K43 I44 L84 F97 I99M1-V40 HydrophobicContact SD-CG2 4.45Å; I10-V40 HydrophobicContact CD1-CG1 4.27Å; L36-V40 HydrophobicContact CB-CG2 4.41Å; L36-V40 WeakPolarHBondContact O-CG2 3.39Å; L36-V40 PolarHBondContact O-N 3.07Å; N37-V40 PolarHBondContact O-N 3.27Å; N37-V40 VanDerWaalsContact O-N 3.13Å; D38-V40 VanDerWaalsContact C-N 3.33Å; D38-V40 PolarHBondContact O-N 2.88Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 3.35Å; V40-K43 WeakPolarHBondContact O-CB 3.48Å; V40-K43 PolarHBondContact O-N 2.86Å; V40-K43 VanDerWaalsContact O-N 3.08Å; V40-I44 HydrophobicContact CG1-CD1 4.3Å; V40-I44 WeakPolarHBondContact O-CG1 3.46Å; V40-I44 PolarHBondContact O-N 3.46Å; V40-L84 HydrophobicContact CB-CD1 3.8Å; V40-L84 HydrophobicContact CG1-CD1 3.71Å; V40-L84 HydrophobicContact CG1-CD2 3.78Å; V40-L84 HydrophobicContact CG1-CG 4.43Å; V40-F97 HydrophobicContact CB-CE1 4.27Å; V40-F97 HydrophobicContact CB-CZ 3.96Å; V40-F97 HydrophobicContact CG1-CE1 4.2Å; V40-F97 HydrophobicContact CG1-CZ 4.27Å; V40-F97 HydrophobicContact CG2-CE1 3.89Å; V40-F97 HydrophobicContact CG2-CZ 3.79Å; V40-I99 HydrophobicContact CG1-CD1 4.28Å
41F98.7Very high98.3Very high1 Ų121 Ų210%0.00411%0.113CC..Hα-helixtrans-56.6-45.3170.6-70-42.2000111.6V29 N37 K43 I44 F45 M58 L84 Y137V29-F41 HydrophobicContact CG1-CD1 3.61Å; V29-F41 HydrophobicContact CG1-CE1 3.78Å; N37-F41 HydrophobicContact CB-CD2 4.36Å; N37-F41 HydrophobicContact CB-CE2 3.81Å; N37-F41 HydrophobicContact CB-CZ 4.27Å; N37-F41 WeakPolarHBondContact O-CD2 3.49Å; N37-F41 VanDerWaalsContact O-CG 3.28Å; N37-F41 WeakPolarHBondContact O-CG 3.36Å; N37-F41 PolarHBondContact O-N 3.12Å; F41-K43 VanDerWaalsContact C-N 3.3Å; F41-K43 PolarHBondContact O-N 3.5Å; F41-I44 HydrophobicContact CD1-CD1 4.44Å; F41-I44 WeakPolarHBondContact O-CB 3.41Å; F41-I44 PolarHBondContact O-N 2.84Å; F41-I44 VanDerWaalsContact O-N 3.12Å; F41-F45 HydrophobicContact CB-CE2 4.13Å; F41-F45 WeakPolarHBondContact O-CD2 3.42Å; F41-F45 WeakPolarHBondContact O-CG 3.31Å; F41-F45 PolarHBondContact O-N 3.39Å; F41-M58 HydrophobicContact CB-CE 4.21Å; F41-M58 HydrophobicContact CD1-CE 3.28Å; F41-M58 HydrophobicContact CD2-CE 3.99Å; F41-M58 HydrophobicContact CE1-CE 3.47Å; F41-M58 VanDerWaalsContact CE1-CE 3.47Å; F41-M58 HydrophobicContact CE2-CE 4.16Å; F41-M58 HydrophobicContact CG-CE 3.58Å; F41-M58 HydrophobicContact CZ-CE 3.92Å; F41-L84 HydrophobicContact CD1-CD1 3.29Å; F41-L84 HydrophobicContact CD1-CG 4.09Å; F41-L84 HydrophobicContact CE1-CB 4.19Å; F41-L84 HydrophobicContact CE1-CD1 3.27Å; F41-L84 HydrophobicContact CE1-CG 3.67Å; F41-L84 HydrophobicContact CE2-CD1 4.47Å; F41-L84 HydrophobicContact CG-CD1 3.95Å; F41-L84 HydrophobicContact CZ-CB 4.44Å; F41-L84 HydrophobicContact CZ-CD1 3.89Å; F41-L84 HydrophobicContact CZ-CG 4.36Å; F41-Y137 HydrophobicContact CB-CE1 4.46Å; F41-Y137 HydrophobicContact CD2-CE2 4.25Å
42Q98.5Very high98.3Very high22 Ų2221.8 Ų21.810%0.10312%0.121CC..Hα-helixtrans-60.9-39.7175.4-65.8-63.7-15.200112D38 V40 I44 F45 R46 L134 I135D38-Q42 PolarHBondContact O-N 3.32Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 3.35Å; Q42-I44 PolarHBondContact O-N 2.97Å; Q42-F45 PolarHBondContact O-N 3.31Å; Q42-R46 WeakPolarHBondContact O-CG 3.31Å; Q42-R46 PolarHBondContact O-N 2.81Å; Q42-R46 VanDerWaalsContact O-N 3.12Å; Q42-L134 HydrophobicContact CG-CD1 4.32Å; Q42-I135 PolarHBondContact NE2-O 3.22Å
43K98.6Very high98.4Very high25 Ų2521.8 Ų21.811%0.10912%0.121CC..Hα-helixtrans-62.9-41.3174.1-65.5-177.2-178.4-136.10112.1A6 E7 I10 L39 V40 F41 R46 I47A6-K43 HydrophobicContact CB-CD 4.25Å; E7-K43 HydrophobicContact CG-CD 4.18Å; E7-K43 IonicContact OE1-NZ 3.85Å; E7-K43 PolarHBondContact OE1-NZ 3.17Å; E7-K43 IonicContact OE2-NZ 2.73Å; E7-K43 PolarHBondContact OE2-NZ 2.94Å; I10-K43 HydrophobicContact CD1-CB 4.09Å; L39-K43 PolarHBondContact O-N 2.99Å; V40-K43 WeakPolarHBondContact O-CB 3.48Å; V40-K43 PolarHBondContact O-N 2.86Å; V40-K43 VanDerWaalsContact O-N 3.08Å; F41-K43 VanDerWaalsContact C-N 3.3Å; F41-K43 PolarHBondContact O-N 3.5Å; K43-R46 PolarHBondContact O-N 3.47Å; K43-I47 WeakPolarHBondContact O-CB 3.34Å; K43-I47 WeakPolarHBondContact O-CG1 3.39Å; K43-I47 PolarHBondContact O-N 2.94Å
44I98.8Very high98.4Very high0 Ų021.2 Ų21.20%012%0.115CC..Hα-helixtrans-59-49.9175.8-68.6166.4000110.4I10 V29 V40 F41 Q42 R46 I47 A48 I82 L84I10-I44 HydrophobicContact CD1-CG1 3.68Å; I10-I44 HydrophobicContact CG1-CG1 4.11Å; I10-I44 HydrophobicContact CG2-CG1 4.37Å; V29-I44 HydrophobicContact CG1-CD1 3.93Å; V29-I44 HydrophobicContact CG1-CG2 4.24Å; V29-I44 HydrophobicContact CG2-CG2 3.91Å; V40-I44 HydrophobicContact CG1-CD1 4.3Å; V40-I44 WeakPolarHBondContact O-CG1 3.46Å; V40-I44 PolarHBondContact O-N 3.46Å; F41-I44 HydrophobicContact CD1-CD1 4.44Å; F41-I44 WeakPolarHBondContact O-CB 3.41Å; F41-I44 PolarHBondContact O-N 2.84Å; F41-I44 VanDerWaalsContact O-N 3.12Å; Q42-I44 PolarHBondContact O-N 2.97Å; I44-R46 VanDerWaalsContact C-N 3.33Å; I44-R46 PolarHBondContact O-N 3.31Å; I44-I47 PolarHBondContact O-N 3.35Å; I44-A48 WeakPolarHBondContact O-CB 3.35Å; I44-A48 PolarHBondContact O-N 3.15Å; I44-I82 HydrophobicContact CD1-CB 4.25Å; I44-I82 HydrophobicContact CD1-CG2 3.63Å; I44-I82 HydrophobicContact CG1-CD1 4.44Å; I44-I82 HydrophobicContact CG1-CG2 4.48Å; I44-I82 HydrophobicContact CG2-CD1 4.19Å; I44-L84 HydrophobicContact CD1-CD1 4.1Å; I44-L84 HydrophobicContact CD1-CD2 3.94Å; I44-L84 HydrophobicContact CD1-CG 4.2Å
45F98.8Very high98.4Very high0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-57.4-46.5179.2-60.1-48000112F41 Q42 A49 I56 M58 L133 I135 Y137 V155F41-F45 HydrophobicContact CB-CE2 4.13Å; F41-F45 WeakPolarHBondContact O-CD2 3.42Å; F41-F45 WeakPolarHBondContact O-CG 3.31Å; F41-F45 PolarHBondContact O-N 3.39Å; Q42-F45 PolarHBondContact O-N 3.31Å; F45-A49 WeakPolarHBondContact O-CB 3.2Å; F45-A49 PolarHBondContact O-N 2.83Å; F45-I56 HydrophobicContact CD1-CD1 3.7Å; F45-I56 HydrophobicContact CD1-CG2 4.38Å; F45-I56 HydrophobicContact CE1-CD1 4.3Å; F45-I56 HydrophobicContact CE1-CG2 3.9Å; F45-M58 HydrophobicContact CE1-SD 4.46Å; F45-M58 HydrophobicContact CZ-CE 3.98Å; F45-M58 HydrophobicContact CZ-SD 3.69Å; F45-L133 HydrophobicContact CB-CD2 4.4Å; F45-I135 HydrophobicContact CB-CG1 3.84Å; F45-I135 HydrophobicContact CD1-CG1 4.24Å; F45-I135 HydrophobicContact CD2-CB 3.57Å; F45-I135 HydrophobicContact CD2-CG1 3.69Å; F45-I135 HydrophobicContact CD2-CG2 4.17Å; F45-I135 HydrophobicContact CE1-CG2 4.48Å; F45-I135 HydrophobicContact CE2-CB 3.77Å; F45-I135 HydrophobicContact CE2-CG1 4.31Å; F45-I135 HydrophobicContact CE2-CG2 3.92Å; F45-I135 HydrophobicContact CG-CB 4.07Å; F45-I135 HydrophobicContact CG-CG1 3.67Å; F45-I135 HydrophobicContact CZ-CB 4.38Å; F45-I135 HydrophobicContact CZ-CG2 4.09Å; F45-Y137 AromaticContact CE2-CD1 3.72Å; F45-Y137 HydrophobicContact CE2-CD1 3.72Å; F45-Y137 HydrophobicContact CE2-CE1 4.16Å; F45-Y137 HydrophobicContact CZ-CD1 4.22Å; F45-V155 HydrophobicContact CD1-CG2 4.35Å; F45-V155 HydrophobicContact CE1-CG1 3.97Å
46R98.6Very high98.5Very high60 Ų6022.9 Ų22.923%0.22612%0.121CC..Hα-helixtrans-64-43.1-178.3-64172.4179.1156.11.7112.7Q42 K43 I44 A50 T129 C130 P131 L133Q42-R46 WeakPolarHBondContact O-CG 3.31Å; Q42-R46 PolarHBondContact O-N 2.81Å; Q42-R46 VanDerWaalsContact O-N 3.12Å; K43-R46 PolarHBondContact O-N 3.47Å; I44-R46 VanDerWaalsContact C-N 3.33Å; I44-R46 PolarHBondContact O-N 3.31Å; R46-A50 WeakPolarHBondContact O-CB 3.47Å; R46-A50 PolarHBondContact O-N 3.15Å; R46-T129 WeakPolarHBondContact CB-OG1 3.47Å; R46-C130 WeakPolarHBondContact CB-O 3.44Å; R46-C130 WeakPolarHBondContact CG-O 3.38Å; R46-C130 PolarHBondContact O-N 2.99Å; R46-C130 VanDerWaalsContact O-N 3.12Å; R46-P131 PolarHBondContact NE-O 3.47Å; R46-L133 HydrophobicContact CG-CB 4.11Å; R46-L133 PolarHBondContact NE-O 3.21Å; R46-L133 PolarHBondContact NH2-O 2.8Å
47I98.8Very high98.5Very high1 Ų121.8 Ų21.81%0.00511%0.114CC..Hα-helixtrans-75.4-41.8-178.5-65.9169.3000110.6E7 I10 L14 K43 I44 A50 N51 S128E7-I47 HydrophobicContact CB-CD1 3.77Å; E7-I47 HydrophobicContact CG-CD1 3.81Å; I10-I47 HydrophobicContact CB-CD1 4.01Å; I10-I47 HydrophobicContact CD1-CD1 4.28Å; I10-I47 HydrophobicContact CG2-CB 4.01Å; I10-I47 HydrophobicContact CG2-CD1 4Å; I10-I47 HydrophobicContact CG2-CG2 3.83Å; L14-I47 HydrophobicContact CD1-CG2 3.94Å; K43-I47 WeakPolarHBondContact O-CB 3.34Å; K43-I47 WeakPolarHBondContact O-CG1 3.39Å; K43-I47 PolarHBondContact O-N 2.94Å; I44-I47 PolarHBondContact O-N 3.35Å; I47-A50 PolarHBondContact O-N 3.44Å; I47-N51 WeakPolarHBondContact O-CB 3.42Å; I47-N51 PolarHBondContact O-N 3.45Å; I47-N51 PolarHBondContact O-ND2 3.21Å; I47-S128 WeakPolarHBondContact CA-O 3.42Å
48A98.8Very high98.6Very high1 Ų121.5 Ų21.51%0.00811%0.113CC..Hα-helixtrans-60.7-46.4176.700000111.6I44 A50 N51 G52 V53 I56 M153I44-A48 WeakPolarHBondContact O-CB 3.35Å; I44-A48 PolarHBondContact O-N 3.15Å; A48-A50 PolarHBondContact O-N 2.78Å; A48-N51 CarbonylContact O-C 3.24Å; A48-N51 PolarHBondContact O-N 3.47Å; A48-N51 VanDerWaalsContact O-N 3.17Å; A48-G52 PolarHBondContact O-N 3.07Å; A48-V53 HydrophobicContact CB-CB 3.89Å; A48-V53 HydrophobicContact CB-CG1 4.37Å; A48-V53 HydrophobicContact CB-CG2 3.79Å; A48-V53 WeakPolarHBondContact O-CB 3.32Å; A48-V53 PolarHBondContact O-N 3.34Å; A48-I56 HydrophobicContact CB-CD1 3.75Å; A48-M153 HydrophobicContact CB-SD 4.18Å
49A98.6Very high98.6Very high2 Ų216.9 Ų16.92%0.0179%0.088CC..Hα-helixtrans-57.2-51175.700000111.5F45 N51 G52 L133 I147 V150 M153F45-A49 WeakPolarHBondContact O-CB 3.2Å; F45-A49 PolarHBondContact O-N 2.83Å; A49-N51 PolarHBondContact O-N 3.46Å; A49-G52 PolarHBondContact O-N 2.79Å; A49-G52 VanDerWaalsContact O-N 3.09Å; A49-L133 HydrophobicContact CB-CD2 3.74Å; A49-I147 HydrophobicContact CB-CD1 4.1Å; A49-I147 HydrophobicContact CB-CG1 3.97Å; A49-V150 WeakPolarHBondContact O-CG1 3.33Å; A49-M153 HydrophobicContact CB-CE 3.62Å; A49-M153 HydrophobicContact CB-SD 3.96Å
50A98.4Very high98.7Very high18 Ų1814.9 Ų14.915%0.1498%0.079CC..Hα-helixtrans-64.5-23.1179.800000113.8R46 I47 A48 S128R46-A50 WeakPolarHBondContact O-CB 3.47Å; R46-A50 PolarHBondContact O-N 3.15Å; I47-A50 PolarHBondContact O-N 3.44Å; A48-A50 PolarHBondContact O-N 2.78Å; A50-S128 VanDerWaalsContact CB-C 3.48Å
51N98.5Very high98.6Very high10 Ų1017 Ų175%0.0539%0.094CC..THydrogen-bonded Turntrans-94.11.8177.9-82-88.2000113.7Q11 L14 K22 I47 A48 A49Q11-N51 PolarHBondContact NE2-OD1 3.45Å; Q11-N51 PolarHBondContact OE1-ND2 3.4Å; L14-N51 HydrophobicContact CD1-CB 3.71Å; K22-N51 HydrophobicContact CD-CB 4.26Å; K22-N51 PolarHBondContact NZ-OD1 3.28Å; I47-N51 WeakPolarHBondContact O-CB 3.42Å; I47-N51 PolarHBondContact O-N 3.45Å; I47-N51 PolarHBondContact O-ND2 3.21Å; A48-N51 CarbonylContact O-C 3.24Å; A48-N51 PolarHBondContact O-N 3.47Å; A48-N51 VanDerWaalsContact O-N 3.17Å; A49-N51 PolarHBondContact O-N 3.46Å
52G98.4Very high98.6Very high16 Ų1617 Ų1717%0.1659%0.094CC..THydrogen-bonded Turntrans80.52117600000114.8K23 G24 A48 A49 G54 V150K23-G52 CarbonylContact C-O 3.48Å; K23-G52 VanDerWaalsContact CA-O 3.29Å; K23-G52 WeakPolarHBondContact CA-O 3.46Å; G24-G52 PolarHBondContact N-O 3.36Å; A48-G52 PolarHBondContact O-N 3.07Å; A49-G52 PolarHBondContact O-N 2.79Å; A49-G52 VanDerWaalsContact O-N 3.09Å; G52-G54 PolarHBondContact O-N 2.85Å; G52-V150 VanDerWaalsContact CA-CG1 3.45Å
53V98.8Very high98.6Very high1 Ų117.9 Ų17.91%0.00610%0.099CC..  trans-57.5128168.3175.30000108.5L14 K22 A25 L27 A48 H55 I56 M153L14-V53 HydrophobicContact CD1-CG2 4.46Å; L14-V53 HydrophobicContact CD2-CG2 4.25Å; K22-V53 WeakPolarHBondContact O-CA 3.29Å; A25-V53 WeakPolarHBondContact O-CG1 3.41Å; L27-V53 HydrophobicContact CB-CG1 4.47Å; L27-V53 HydrophobicContact CD1-CG1 4.17Å; L27-V53 HydrophobicContact CD1-CG2 4.1Å; L27-V53 HydrophobicContact CG-CG1 4.33Å; A48-V53 HydrophobicContact CB-CB 3.89Å; A48-V53 HydrophobicContact CB-CG1 4.37Å; A48-V53 HydrophobicContact CB-CG2 3.79Å; A48-V53 WeakPolarHBondContact O-CB 3.32Å; A48-V53 PolarHBondContact O-N 3.34Å; V53-H55 WeakPolarHBondContact CG1-O 3.21Å; V53-I56 HydrophobicContact CG1-CG1 4.12Å; V53-M153 HydrophobicContact CB-SD 4.5Å; V53-M153 WeakPolarHBondContact O-CB 3.35Å; V53-M153 VanDerWaalsContact O-CG 3.24Å; V53-M153 WeakPolarHBondContact O-CG 3.21Å
54G98.5Very high98.6Very high8 Ų816.7 Ų16.78%0.0829%0.094CC..  trans-83-37.4-172.800000112.8A25 G52 M153 T154A25-G54 PolarHBondContact O-N 2.86Å; G52-G54 PolarHBondContact O-N 2.85Å; G54-M153 CarbonylContact O-C 3.59Å; G54-M153 WeakPolarHBondContact O-CA 3.47Å; G54-T154 PolarHBondContact O-N 3.15Å
55H98.8Very high98.6Very high79 Ų7916.8 Ų16.837%0.36610%0.095SC..EExtended strand (participates in β ladder)trans-139.4139.8-177.8-65.279.3000111.7A25 T26 L27 V53 T154A25-H55 PolarHBondContact O-N 2.79Å; T26-H55 CarbonylContact C-O 3.59Å; T26-H55 WeakPolarHBondContact CA-O 3.39Å; T26-H55 HydrophobicContact CG2-CB 3.99Å; L27-H55 PolarHBondContact N-O 3.47Å; V53-H55 WeakPolarHBondContact CG1-O 3.21Å; H55-T154 CarbonylContact C-O 3.57Å; H55-T154 VanDerWaalsContact CA-O 3.26Å; H55-T154 WeakPolarHBondContact CA-O 3.13Å
56I98.9Very high98.6Very high0 Ų016.8 Ų16.80%010%0.095CC..EExtended strand (participates in β ladder)trans-120.6130.2164.4-66.8173.1000108.6L27 V29 F45 A48 V53 M153 T154 V155 E156L27-I56 HydrophobicContact CB-CG1 4.45Å; L27-I56 CarbonylContact O-C 3.58Å; L27-I56 VanDerWaalsContact O-CA 3.28Å; L27-I56 WeakPolarHBondContact O-CA 3.38Å; V29-I56 HydrophobicContact CB-CG2 4.11Å; V29-I56 HydrophobicContact CG2-CG2 3.7Å; F45-I56 HydrophobicContact CD1-CD1 3.7Å; F45-I56 HydrophobicContact CD1-CG2 4.38Å; F45-I56 HydrophobicContact CE1-CD1 4.3Å; F45-I56 HydrophobicContact CE1-CG2 3.9Å; A48-I56 HydrophobicContact CB-CD1 3.75Å; V53-I56 HydrophobicContact CG1-CG1 4.12Å; I56-M153 HydrophobicContact CD1-CE 4.18Å; I56-M153 HydrophobicContact CD1-SD 3.61Å; I56-M153 HydrophobicContact CG1-SD 4.1Å; I56-T154 PolarHBondContact N-O 3.18Å; I56-V155 HydrophobicContact CB-CG1 4.31Å; I56-V155 HydrophobicContact CB-CG2 4.36Å; I56-V155 HydrophobicContact CG2-CG1 4.29Å; I56-V155 CarbonylContact O-C 3.47Å; I56-V155 WeakPolarHBondContact O-CA 3.25Å; I56-E156 PolarHBondContact O-N 3.34Å
57K98.9Very high98.6Very high27 Ų2714 Ų1412%0.1178%0.084CC..EExtended strand (participates in β ladder)trans-111.1132.5170.7-68.3-173.9174.2-79.10109.6T26 L27 V28 V29 F76 E156 F158T26-K57 HydrophobicContact CG2-CD 4.5Å; L27-K57 PolarHBondContact O-N 2.91Å; V28-K57 CarbonylContact C-O 3.54Å; V28-K57 VanDerWaalsContact CA-O 3.27Å; V28-K57 WeakPolarHBondContact CA-O 3.38Å; V28-K57 HydrophobicContact CG2-CB 4.45Å; V29-K57 PolarHBondContact N-O 2.85Å; K57-F76 HydrophobicContact CB-CD2 4.48Å; K57-F76 HydrophobicContact CD-CB 3.69Å; K57-F76 HydrophobicContact CD-CD1 3.81Å; K57-F76 HydrophobicContact CD-CD2 3.27Å; K57-F76 HydrophobicContact CD-CE1 4.23Å; K57-F76 HydrophobicContact CD-CE2 3.75Å; K57-F76 HydrophobicContact CD-CG 3.31Å; K57-F76 HydrophobicContact CD-CZ 4.2Å; K57-E156 WeakPolarHBondContact CA-O 3.39Å; K57-E156 HydrophobicContact CG-CB 4.41Å; K57-E156 IonicContact NZ-OE1 2.73Å; K57-E156 PolarHBondContact NZ-OE1 2.81Å; K57-E156 IonicContact NZ-OE2 3.18Å; K57-E156 PolarHBondContact NZ-OE2 2.74Å; K57-F158 HydrophobicContact CB-CD1 4.43Å; K57-F158 HydrophobicContact CB-CE1 4.09Å
58M98.8Very high98.6Very high0 Ų013.9 Ų13.90%08%0.084CC..EExtended strand (participates in β ladder)trans-144.4144.6-175.7163.2175.2-88.100111.4V29 F41 F45 Y137 E156 I157 F158V29-M58 HydrophobicContact CB-CE 3.95Å; V29-M58 HydrophobicContact CG1-CE 3.58Å; V29-M58 VanDerWaalsContact O-CA 3.32Å; V29-M58 WeakPolarHBondContact O-CA 3.46Å; V29-M58 VanDerWaalsContact O-CB 3.28Å; V29-M58 WeakPolarHBondContact O-CB 3.32Å; V29-M58 WeakPolarHBondContact O-CG 3.24Å; F41-M58 HydrophobicContact CB-CE 4.21Å; F41-M58 HydrophobicContact CD1-CE 3.28Å; F41-M58 HydrophobicContact CD2-CE 3.99Å; F41-M58 HydrophobicContact CE1-CE 3.47Å; F41-M58 VanDerWaalsContact CE1-CE 3.47Å; F41-M58 HydrophobicContact CE2-CE 4.16Å; F41-M58 HydrophobicContact CG-CE 3.58Å; F41-M58 HydrophobicContact CZ-CE 3.92Å; F45-M58 HydrophobicContact CE1-SD 4.46Å; F45-M58 HydrophobicContact CZ-CE 3.98Å; F45-M58 HydrophobicContact CZ-SD 3.69Å; M58-Y137 HydrophobicContact SD-CD2 4.04Å; M58-Y137 HydrophobicContact SD-CG 3.88Å; M58-E156 PolarHBondContact N-O 2.97Å; M58-I157 HydrophobicContact CB-CD1 3.94Å; M58-I157 HydrophobicContact CG-CD1 4.09Å; M58-I157 CarbonylContact O-C 3.54Å; M58-I157 VanDerWaalsContact O-CA 3.28Å; M58-I157 WeakPolarHBondContact O-CA 2.72Å; M58-I157 HydrophobicContact SD-CD1 4.26Å; M58-F158 VanDerWaalsContact C-CE1 3.47Å; M58-F158 WeakPolarHBondContact O-CD1 3.41Å; M58-F158 WeakPolarHBondContact O-CE1 3.29Å; M58-F158 PolarHBondContact O-N 3.43Å
59G98.7Very high98.6Very high0 Ų013.9 Ų13.90%08%0.084CC..EExtended strand (participates in β ladder)trans-67.6151.6170.100000112S61 G62 M64 F158G59-S61 PolarHBondContact O-N 2.87Å; G59-G62 WeakPolarHBondContact O-CA 3.28Å; G59-G62 PolarHBondContact O-N 2.94Å; G59-M64 PolarHBondContact N-SD 3.33Å; G59-F158 CarbonylContact C-O 3.53Å; G59-F158 WeakPolarHBondContact CA-O 3.17Å
60V98.6Very high98.7Very high41 Ų4113.8 Ų13.825%0.2488%0.083CC..EExtended strand (participates in β ladder)trans-49.7132.6174.9-178.80000110.7G62 L63 T138 V140 I157 F158V60-G62 PolarHBondContact O-N 3.17Å; V60-G62 VanDerWaalsContact O-N 3.13Å; V60-L63 PolarHBondContact O-N 2.81Å; V60-T138 WeakPolarHBondContact CG1-O 3.2Å; V60-V140 HydrophobicContact CG2-CG2 3.55Å; V60-I157 HydrophobicContact CB-CG2 4.45Å; V60-I157 HydrophobicContact CG2-CG2 4.07Å; V60-F158 PolarHBondContact N-O 3.31Å
61S98.1Very high98.7Very high46 Ų4613.1 Ų13.132%0.3228%0.077SC..EExtended strand (participates in β ladder)trans59.717.6-176.4-56.80000114.4G59 L63 Y137G59-S61 PolarHBondContact O-N 2.87Å; S61-L63 PolarHBondContact O-N 2.86Å; S61-Y137 WeakPolarHBondContact CA-O 3.5Å; S61-Y137 PolarHBondContact N-O 2.94Å
62G98.3Very high98.7Very high0 Ų012.6 Ų12.60%07%0.074CC..EExtended strand (participates in β ladder)trans73.90.4-176.100000114.6G30 G31 G59 V60 M64G30-G62 CarbonylContact C-O 3.45Å; G30-G62 VanDerWaalsContact CA-O 3.31Å; G30-G62 WeakPolarHBondContact CA-O 3.3Å; G31-G62 PolarHBondContact N-O 2.88Å; G59-G62 WeakPolarHBondContact O-CA 3.28Å; G59-G62 PolarHBondContact O-N 2.94Å; V60-G62 PolarHBondContact O-N 3.17Å; V60-G62 VanDerWaalsContact O-N 3.13Å; G62-M64 PolarHBondContact O-N 2.71Å
63L98.5Very high98.7Very high40 Ų4011.9 Ų11.921%0.2097%0.066CC..EExtended strand (participates in β ladder)trans-76.1110.7-175-62.3178.7000110.8V60 S61 S160 V200 P225V60-L63 PolarHBondContact O-N 2.81Å; S61-L63 PolarHBondContact O-N 2.86Å; L63-S160 PolarHBondContact O-OG 2.94Å; L63-V200 HydrophobicContact CB-CG2 3.88Å; L63-V200 HydrophobicContact CD2-CG2 4.08Å; L63-P225 HydrophobicContact CD1-CG 4.36Å
64M98.8Very high98.7Very high0 Ų016 Ų160%08%0.082CC..  trans-147.9127.7174.7-59.4-174.268.900109.7V28 G31 G59 G62 V69 A72 F158V28-M64 HydrophobicContact CG1-CE 3.94Å; V28-M64 HydrophobicContact CG1-SD 4.02Å; G31-M64 PolarHBondContact O-N 3.46Å; G31-M64 VanDerWaalsContact O-N 3.1Å; G59-M64 PolarHBondContact N-SD 3.33Å; G62-M64 PolarHBondContact O-N 2.71Å; M64-V69 HydrophobicContact CB-CG2 3.64Å; M64-V69 HydrophobicContact CE-CB 4.49Å; M64-V69 HydrophobicContact CE-CG2 3.92Å; M64-V69 HydrophobicContact CG-CG2 4.45Å; M64-V69 HydrophobicContact SD-CG2 4.07Å; M64-A72 HydrophobicContact CE-CB 3.84Å; M64-F158 HydrophobicContact CE-CE1 4.46Å; M64-F158 HydrophobicContact CE-CE2 4.49Å; M64-F158 HydrophobicContact CE-CZ 3.67Å; M64-F158 HydrophobicContact SD-CZ 4.28Å
65T98.8Very high98.7Very high2 Ų219.2 Ų19.21%0.0129%0.094CC..  trans-62.5151.7165.966.80000109.6P67 A68 V69 V200 T201 F204 D261T65-P67 VanDerWaalsContact C-N 3.3Å; T65-A68 WeakPolarHBondContact O-CB 3.45Å; T65-A68 PolarHBondContact O-N 3.11Å; T65-A68 WeakPolarHBondContact OG1-CB 3.23Å; T65-A68 PolarHBondContact OG1-N 2.76Å; T65-V69 PolarHBondContact O-N 3Å; T65-V200 HydrophobicContact CG2-CG1 3.63Å; T65-T201 HydrophobicContact CG2-CG2 3.97Å; T65-F204 HydrophobicContact CG2-CD1 4.46Å; T65-F204 HydrophobicContact CG2-CD2 3.76Å; T65-F204 HydrophobicContact CG2-CE1 4.48Å; T65-F204 HydrophobicContact CG2-CE2 3.8Å; T65-F204 HydrophobicContact CG2-CG 4.12Å; T65-F204 HydrophobicContact CG2-CZ 4.17Å; T65-D261 CarbonylContact C-O 3.58Å; T65-D261 WeakPolarHBondContact CA-O 3.39Å; T65-D261 VanDerWaalsContact CB-O 3.31Å; T65-D261 WeakPolarHBondContact CB-O 3.22Å
66T98.8Very high98.7Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-52.3-44.1171.8-76.70000111.9A68 V69 S70 I83 D261 D263 E358T66-A68 PolarHBondContact O-N 3.31Å; T66-V69 PolarHBondContact O-N 2.91Å; T66-S70 PolarHBondContact O-N 2.96Å; T66-I83 HydrophobicContact CG2-CD1 4.38Å; T66-D261 WeakPolarHBondContact CB-OD2 3.46Å; T66-D261 PolarHBondContact N-O 3.06Å; T66-D261 WeakPolarHBondContact OG1-CB 3.48Å; T66-D261 PolarHBondContact OG1-OD2 2.78Å; T66-D263 HydrophobicContact CG2-CB 4.33Å; T66-E358 HydrophobicContact CG2-CB 4.08Å; T66-E358 VanDerWaalsContact CG2-CD 3.42Å; T66-E358 HydrophobicContact CG2-CG 3.58Å
67P98.8Very high98.6Very high1 Ų127 Ų271%0.00613%0.127CC..Hα-helixtrans-59-40.9171.2-1514.6000114.7T65 V69 S70 L71 Y164 G262 I356 K359 D360T65-P67 VanDerWaalsContact C-N 3.3Å; P67-V69 VanDerWaalsContact C-N 3.33Å; P67-S70 WeakPolarHBondContact O-CB 3.08Å; P67-S70 PolarHBondContact O-N 3.35Å; P67-L71 WeakPolarHBondContact O-CB 3.42Å; P67-L71 PolarHBondContact O-N 2.94Å; P67-Y164 HydrophobicContact CB-CE2 4.07Å; P67-G262 WeakPolarHBondContact CG-O 3.46Å; P67-I356 HydrophobicContact CB-CD1 3.77Å; P67-K359 WeakPolarHBondContact CG-O 3.47Å; P67-D360 HydrophobicContact CB-CB 3.93Å; P67-D360 WeakPolarHBondContact CB-OD2 3.04Å; P67-D360 HydrophobicContact CG-CB 3.95Å
68A98.8Very high98.6Very high0 Ų025.8 Ų25.80%012%0.123CC..Hα-helixtrans-66.7-35.2177.400000111.9T65 T66 L71 A72 Y164 F204T65-A68 WeakPolarHBondContact O-CB 3.45Å; T65-A68 PolarHBondContact O-N 3.11Å; T65-A68 WeakPolarHBondContact OG1-CB 3.23Å; T65-A68 PolarHBondContact OG1-N 2.76Å; T66-A68 PolarHBondContact O-N 3.31Å; A68-L71 PolarHBondContact O-N 2.91Å; A68-A72 WeakPolarHBondContact O-CB 3.3Å; A68-A72 PolarHBondContact O-N 3.23Å; A68-Y164 HydrophobicContact CB-CD2 4.04Å; A68-Y164 HydrophobicContact CB-CG 4.43Å; A68-F204 HydrophobicContact CB-CE1 3.8Å; A68-F204 HydrophobicContact CB-CZ 4.07Å
69V98.9Very high98.6Very high0 Ų028.5 Ų28.50%014%0.137CC..Hα-helixtrans-63.6-47.3170.6174.60000110.8V28 M64 T65 T66 P67 L71 A72 I73 A81 I83V28-V69 HydrophobicContact CB-CG1 4.37Å; V28-V69 HydrophobicContact CG1-CG1 3.92Å; V28-V69 HydrophobicContact CG1-CG2 4.48Å; M64-V69 HydrophobicContact CB-CG2 3.64Å; M64-V69 HydrophobicContact CE-CB 4.49Å; M64-V69 HydrophobicContact CE-CG2 3.92Å; M64-V69 HydrophobicContact CG-CG2 4.45Å; M64-V69 HydrophobicContact SD-CG2 4.07Å; T65-V69 PolarHBondContact O-N 3Å; T66-V69 PolarHBondContact O-N 2.91Å; P67-V69 VanDerWaalsContact C-N 3.33Å; V69-L71 VanDerWaalsContact C-N 3.27Å; V69-L71 PolarHBondContact O-N 3.35Å; V69-A72 PolarHBondContact O-N 3.12Å; V69-A72 VanDerWaalsContact O-N 3.15Å; V69-I73 HydrophobicContact CG1-CD1 3.95Å; V69-I73 HydrophobicContact CG1-CG1 4.31Å; V69-I73 VanDerWaalsContact O-CG1 3.32Å; V69-I73 WeakPolarHBondContact O-CG1 3.41Å; V69-I73 PolarHBondContact O-N 2.8Å; V69-A81 HydrophobicContact CG1-CB 3.4Å; V69-I83 HydrophobicContact CB-CD1 3.94Å; V69-I83 HydrophobicContact CB-CG1 4.3Å; V69-I83 HydrophobicContact CG1-CD1 3.7Å; V69-I83 HydrophobicContact CG1-CG1 3.83Å; V69-I83 HydrophobicContact CG2-CD1 4.36Å; V69-I83 HydrophobicContact CG2-CG1 4.32Å; V69-I83 HydrophobicContact CG2-CG2 4.35Å
70S98.9Very high98.6Very high0 Ų028.5 Ų28.50%014%0.137CC..Hα-helixtrans-57.3-41.9177.1-165.60000112T66 P67 R74 G106 R357T66-S70 PolarHBondContact O-N 2.96Å; P67-S70 WeakPolarHBondContact O-CB 3.08Å; P67-S70 PolarHBondContact O-N 3.35Å; S70-R74 WeakPolarHBondContact O-CD 3.39Å; S70-R74 VanDerWaalsContact O-CG 3.3Å; S70-R74 WeakPolarHBondContact O-CG 3.41Å; S70-R74 PolarHBondContact O-N 3.41Å; S70-G106 WeakPolarHBondContact CA-O 3.34Å; S70-G106 VanDerWaalsContact CB-O 3.24Å; S70-G106 WeakPolarHBondContact CB-O 3.28Å; S70-G106 PolarHBondContact OG-O 3.3Å; S70-R357 PolarHBondContact OG-N 2.96Å
71L98.8Very high98.6Very high4 Ų426.5 Ų26.52%0.02113%0.125CC..Hα-helixtrans-62.2-49.7173.917964.3000111.9P67 A68 V69 I73 R74 E75 Q163 Y164 R167 I356P67-L71 WeakPolarHBondContact O-CB 3.42Å; P67-L71 PolarHBondContact O-N 2.94Å; A68-L71 PolarHBondContact O-N 2.91Å; V69-L71 VanDerWaalsContact C-N 3.27Å; V69-L71 PolarHBondContact O-N 3.35Å; L71-I73 PolarHBondContact O-N 2.8Å; L71-R74 PolarHBondContact O-N 2.99Å; L71-R74 VanDerWaalsContact O-N 3.12Å; L71-E75 HydrophobicContact CD1-CG 3.88Å; L71-E75 HydrophobicContact CG-CG 4.29Å; L71-E75 PolarHBondContact O-N 3.21Å; L71-Q163 HydrophobicContact CD2-CG 4.29Å; L71-Y164 HydrophobicContact CD2-CD2 4.11Å; L71-R167 HydrophobicContact CD1-CB 4.34Å; L71-R167 HydrophobicContact CD1-CG 3.77Å; L71-R167 HydrophobicContact CD2-CB 3.67Å; L71-R167 HydrophobicContact CD2-CG 3.95Å; L71-I356 HydrophobicContact CB-CG2 3.95Å; L71-I356 HydrophobicContact CD1-CG2 4.28Å
72A98.8Very high98.7Very high0 Ų024.4 Ų24.40%011%0.11CC..Hα-helixtrans-60.9-42.5-178.200000112V28 M64 A68 V69 R74 E75 F76 F158V28-A72 HydrophobicContact CG1-CB 4.06Å; V28-A72 HydrophobicContact CG2-CB 4.09Å; M64-A72 HydrophobicContact CE-CB 3.84Å; A68-A72 WeakPolarHBondContact O-CB 3.3Å; A68-A72 PolarHBondContact O-N 3.23Å; V69-A72 PolarHBondContact O-N 3.12Å; V69-A72 VanDerWaalsContact O-N 3.15Å; A72-R74 VanDerWaalsContact C-N 3.25Å; A72-R74 PolarHBondContact O-N 2.71Å; A72-E75 PolarHBondContact O-N 2.98Å; A72-F76 HydrophobicContact CB-CD2 3.99Å; A72-F76 HydrophobicContact CB-CE2 4.04Å; A72-F76 VanDerWaalsContact O-CB 3.3Å; A72-F76 WeakPolarHBondContact O-CB 3.37Å; A72-F76 WeakPolarHBondContact O-CD2 3.47Å; A72-F76 WeakPolarHBondContact O-CG 3.49Å; A72-F76 PolarHBondContact O-N 3.31Å; A72-F158 HydrophobicContact CB-CZ 4.03Å
73I98.9Very high98.7Very high0 Ų024.4 Ų24.40%011%0.11CC..Hα-helixtrans-55.1-46.9175.2-65.4160.9000110V28 V69 L71 K77 A78 A81 N102 S104V28-I73 HydrophobicContact CB-CG1 4.13Å; V28-I73 HydrophobicContact CG2-CG1 3.92Å; V69-I73 HydrophobicContact CG1-CD1 3.95Å; V69-I73 HydrophobicContact CG1-CG1 4.31Å; V69-I73 VanDerWaalsContact O-CG1 3.32Å; V69-I73 WeakPolarHBondContact O-CG1 3.41Å; V69-I73 PolarHBondContact O-N 2.8Å; L71-I73 PolarHBondContact O-N 2.8Å; I73-K77 CarbonylContact O-C 3.55Å; I73-K77 VanDerWaalsContact O-CA 3.22Å; I73-K77 WeakPolarHBondContact O-CA 3.47Å; I73-K77 PolarHBondContact O-N 2.85Å; I73-A78 HydrophobicContact CB-CB 4.44Å; I73-A78 HydrophobicContact CG2-CB 4.23Å; I73-A78 PolarHBondContact O-N 3.48Å; I73-A81 HydrophobicContact CD1-CB 3.5Å; I73-A81 HydrophobicContact CG1-CB 3.84Å; I73-N102 HydrophobicContact CD1-CB 3.88Å; I73-S104 WeakPolarHBondContact CG2-O 3.25Å
74R98.5Very high98.7Very high89 Ų8922.5 Ų22.534%0.33610%0.1SC..Hα-helixtrans-72.9-41.4-174.9-67.3171.36269.43.4112.8S70 L71 A72 N105 Y355S70-R74 WeakPolarHBondContact O-CD 3.39Å; S70-R74 VanDerWaalsContact O-CG 3.3Å; S70-R74 WeakPolarHBondContact O-CG 3.41Å; S70-R74 PolarHBondContact O-N 3.41Å; L71-R74 PolarHBondContact O-N 2.99Å; L71-R74 VanDerWaalsContact O-N 3.12Å; A72-R74 VanDerWaalsContact C-N 3.25Å; A72-R74 PolarHBondContact O-N 2.71Å; R74-N105 WeakPolarHBondContact CD-O 3.48Å; R74-N105 VanDerWaalsContact CG-O 3.27Å; R74-N105 WeakPolarHBondContact CG-O 3.45Å; R74-N105 PolarHBondContact NH1-O 2.98Å; R74-N105 VanDerWaalsContact NH1-O 3.11Å; R74-Y355 PolarHBondContact NE-O 2.64Å
75E98.2Very high98.7Very high74 Ų7422.6 Ų22.635%0.34610%0.101SC..Hα-helixtrans-70.8-40.4179-71.3-163.116200111.9L71 A72 K77 Q163 R170L71-E75 HydrophobicContact CD1-CG 3.88Å; L71-E75 HydrophobicContact CG-CG 4.29Å; L71-E75 PolarHBondContact O-N 3.21Å; A72-E75 PolarHBondContact O-N 2.98Å; E75-K77 VanDerWaalsContact C-N 3.34Å; E75-Q163 WeakPolarHBondContact OE2-CG 3.43Å; E75-Q163 PolarHBondContact OE2-NE2 3.19Å; E75-R170 IonicContact OE1-NH2 3.79Å
76F98.4Very high98.6Very high63 Ų6323.5 Ų23.528%0.27611%0.109SC..Hα-helixtrans-86.1-5.2178.3-60.1-52.2000114K57 A72 A78 F158K57-F76 HydrophobicContact CB-CD2 4.48Å; K57-F76 HydrophobicContact CD-CB 3.69Å; K57-F76 HydrophobicContact CD-CD1 3.81Å; K57-F76 HydrophobicContact CD-CD2 3.27Å; K57-F76 HydrophobicContact CD-CE1 4.23Å; K57-F76 HydrophobicContact CD-CE2 3.75Å; K57-F76 HydrophobicContact CD-CG 3.31Å; K57-F76 HydrophobicContact CD-CZ 4.2Å; A72-F76 HydrophobicContact CB-CD2 3.99Å; A72-F76 HydrophobicContact CB-CE2 4.04Å; A72-F76 VanDerWaalsContact O-CB 3.3Å; A72-F76 WeakPolarHBondContact O-CB 3.37Å; A72-F76 WeakPolarHBondContact O-CD2 3.47Å; A72-F76 WeakPolarHBondContact O-CG 3.49Å; A72-F76 PolarHBondContact O-N 3.31Å; F76-A78 PolarHBondContact O-N 3.16Å; F76-F158 HydrophobicContact CE2-CD1 4.31Å; F76-F158 HydrophobicContact CE2-CD2 4.43Å; F76-F158 AromaticContact CE2-CE1 3.92Å; F76-F158 HydrophobicContact CE2-CE1 3.92Å; F76-F158 HydrophobicContact CE2-CE2 4.05Å; F76-F158 AromaticContact CE2-CZ 3.78Å; F76-F158 HydrophobicContact CE2-CZ 3.78Å; F76-F158 HydrophobicContact CZ-CD2 4.36Å; F76-F158 HydrophobicContact CZ-CE2 4.37Å; F76-F158 HydrophobicContact CZ-CG 4.45Å; F76-F158 HydrophobicContact CZ-CZ 4.48Å
77K98.3Very high98.3Very high180 Ų18024 Ų2478%0.78311%0.112SC*.THydrogen-bonded Turntrans53.243.9-173.5-54.3178.1-178.8178.40111.7I73 E75I73-K77 CarbonylContact O-C 3.55Å; I73-K77 VanDerWaalsContact O-CA 3.22Å; I73-K77 WeakPolarHBondContact O-CA 3.47Å; I73-K77 PolarHBondContact O-N 2.85Å; E75-K77 VanDerWaalsContact C-N 3.34Å
78A98.7Very high97.9Very high2 Ų226.9 Ų26.92%0.01713%0.125CC..  trans-69.5156.3178.500000111.2T26 V28 I73 F76 G80 S104T26-A78 HydrophobicContact CG2-CB 3.94Å; T26-A78 WeakPolarHBondContact O-CB 3.29Å; V28-A78 HydrophobicContact CG2-CB 3.88Å; I73-A78 HydrophobicContact CB-CB 4.44Å; I73-A78 HydrophobicContact CG2-CB 4.23Å; I73-A78 PolarHBondContact O-N 3.48Å; F76-A78 PolarHBondContact O-N 3.16Å; A78-G80 VanDerWaalsContact C-N 3.3Å; A78-S104 WeakPolarHBondContact O-CA 3.39Å
79D98.7Very high97.5Very high56 Ų5628.4 Ų28.430%0.29914%0.136SC..SBendtrans-79.5-15.7-179.3-63-77.5000112.7L18 A25 T26 S104L18-D79 HydrophobicContact CD2-CB 4.02Å; A25-D79 VanDerWaalsContact CA-OD2 3.28Å; A25-D79 WeakPolarHBondContact CA-OD2 3.36Å; A25-D79 HydrophobicContact CB-CB 4.13Å; T26-D79 PolarHBondContact N-OD2 2.78Å; T26-D79 PolarHBondContact O-N 3.45Å; D79-S104 WeakPolarHBondContact O-CA 3.45Å; D79-S104 WeakPolarHBondContact O-CB 3.21Å; D79-S104 PolarHBondContact O-N 3.02Å; D79-S104 VanDerWaalsContact O-N 3.12Å
80G98.5Very high97.1Very high0 Ų030.4 Ų30.40%015%0.149CC..EExtended strand (participates in β ladder)trans168.9-169.7175.300000112V28 A78 N102V28-G80 PolarHBondContact N-O 2.78Å; A78-G80 VanDerWaalsContact C-N 3.3Å; G80-N102 CarbonylContact C-O 3.54Å; G80-N102 WeakPolarHBondContact CA-O 3.38Å
81A98.9Very high96.9Very high0 Ų031 Ų310%016%0.155CC..EExtended strand (participates in β ladder)trans-149.6150.2175.100000113.8V28 V69 I73 I83 F101 N102V28-A81 HydrophobicContact CB-CB 3.82Å; V28-A81 HydrophobicContact CG1-CB 4.5Å; V28-A81 CarbonylContact O-C 3.59Å; V28-A81 WeakPolarHBondContact O-CA 3.44Å; V28-A81 WeakPolarHBondContact O-CB 3.27Å; V69-A81 HydrophobicContact CG1-CB 3.4Å; I73-A81 HydrophobicContact CD1-CB 3.5Å; I73-A81 HydrophobicContact CG1-CB 3.84Å; A81-I83 HydrophobicContact CB-CG1 4.46Å; A81-F101 WeakPolarHBondContact O-CA 3.43Å; A81-F101 WeakPolarHBondContact O-CD2 3.35Å; A81-N102 HydrophobicContact CB-CB 4.46Å; A81-N102 PolarHBondContact N-O 2.77Å; A81-N102 PolarHBondContact O-N 2.65Å
82I98.9Very high96.7Very high1 Ų131.4 Ų31.41%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-106.6120.1167.5-59.3176.2000107.7I10 I13 V28 V29 G30 I44 L84 I99 K100 F101I10-I82 HydrophobicContact CG2-CD1 4.45Å; I13-I82 HydrophobicContact CG2-CD1 4.16Å; I13-I82 HydrophobicContact CG2-CG1 4.16Å; V28-I82 PolarHBondContact O-N 3.01Å; V29-I82 WeakPolarHBondContact CA-O 3.48Å; G30-I82 PolarHBondContact N-O 3.02Å; I44-I82 HydrophobicContact CD1-CB 4.25Å; I44-I82 HydrophobicContact CD1-CG2 3.63Å; I44-I82 HydrophobicContact CG1-CD1 4.44Å; I44-I82 HydrophobicContact CG1-CG2 4.48Å; I44-I82 HydrophobicContact CG2-CD1 4.19Å; I82-L84 HydrophobicContact CG2-CD2 4.13Å; I82-I99 HydrophobicContact CG2-CG2 3.6Å; I82-K100 WeakPolarHBondContact CA-O 3.27Å; I82-F101 HydrophobicContact CG1-CD2 4.16Å
83I98.8Very high96.5Very high1 Ų138.5 Ų38.51%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-113.4119.9-177.6-38.9179.8000108.7G30 T66 V69 A81 T85 K100G30-I83 CarbonylContact O-C 3.52Å; G30-I83 VanDerWaalsContact O-CA 3.32Å; G30-I83 WeakPolarHBondContact O-CA 3.26Å; T66-I83 HydrophobicContact CG2-CD1 4.38Å; V69-I83 HydrophobicContact CB-CD1 3.94Å; V69-I83 HydrophobicContact CB-CG1 4.3Å; V69-I83 HydrophobicContact CG1-CD1 3.7Å; V69-I83 HydrophobicContact CG1-CG1 3.83Å; V69-I83 HydrophobicContact CG2-CD1 4.36Å; V69-I83 HydrophobicContact CG2-CG1 4.32Å; V69-I83 HydrophobicContact CG2-CG2 4.35Å; A81-I83 HydrophobicContact CB-CG1 4.46Å; I83-T85 HydrophobicContact CB-CG2 4.45Å; I83-T85 HydrophobicContact CG2-CG2 3.83Å; I83-T85 PolarHBondContact O-N 3.11Å; I83-K100 HydrophobicContact CB-CB 4.16Å; I83-K100 PolarHBondContact N-O 3.32Å; I83-K100 PolarHBondContact O-N 3.29Å
84L98.8Very high96.2Very high0 Ų046.4 Ų46.40%024%0.235CC..EExtended strand (participates in β ladder)trans-92.791.6-178.8-58-170.9000110.4G30 G31 D32 N37 V40 F41 I44 I82 F97 G98 I99G30-L84 PolarHBondContact O-N 2.91Å; G31-L84 WeakPolarHBondContact CA-O 3.49Å; D32-L84 PolarHBondContact N-O 2.85Å; D32-L84 VanDerWaalsContact N-O 3.1Å; N37-L84 WeakPolarHBondContact ND2-CB 3.44Å; N37-L84 PolarHBondContact ND2-O 3Å; V40-L84 HydrophobicContact CB-CD1 3.8Å; V40-L84 HydrophobicContact CG1-CD1 3.71Å; V40-L84 HydrophobicContact CG1-CD2 3.78Å; V40-L84 HydrophobicContact CG1-CG 4.43Å; F41-L84 HydrophobicContact CD1-CD1 3.29Å; F41-L84 HydrophobicContact CD1-CG 4.09Å; F41-L84 HydrophobicContact CE1-CB 4.19Å; F41-L84 HydrophobicContact CE1-CD1 3.27Å; F41-L84 HydrophobicContact CE1-CG 3.67Å; F41-L84 HydrophobicContact CE2-CD1 4.47Å; F41-L84 HydrophobicContact CG-CD1 3.95Å; F41-L84 HydrophobicContact CZ-CB 4.44Å; F41-L84 HydrophobicContact CZ-CD1 3.89Å; F41-L84 HydrophobicContact CZ-CG 4.36Å; I44-L84 HydrophobicContact CD1-CD1 4.1Å; I44-L84 HydrophobicContact CD1-CD2 3.94Å; I44-L84 HydrophobicContact CD1-CG 4.2Å; I82-L84 HydrophobicContact CG2-CD2 4.13Å; L84-F97 HydrophobicContact CB-CZ 4.07Å; L84-F97 HydrophobicContact CD1-CZ 4.13Å; L84-F97 HydrophobicContact CD2-CE1 4.22Å; L84-F97 HydrophobicContact CD2-CZ 4.21Å; L84-F97 HydrophobicContact CG-CZ 4.4Å; L84-G98 CarbonylContact C-O 3.59Å; L84-G98 WeakPolarHBondContact CA-O 3.41Å; L84-I99 HydrophobicContact CD2-CB 4.4Å; L84-I99 HydrophobicContact CD2-CD1 4.45Å; L84-I99 HydrophobicContact CD2-CG1 3.86Å; L84-I99 HydrophobicContact CD2-CG2 4.19Å
85T98.5Very high95.9Very high2 Ų243.4 Ų43.41%0.01223%0.232CC..  trans-160.2149-178.11780000110.6D32 I83 S87 G98 K100 D261D32-T85 WeakPolarHBondContact OD2-CA 3.18Å; D32-T85 WeakPolarHBondContact OD2-CB 3.22Å; D32-T85 PolarHBondContact OD2-OG1 3.18Å; I83-T85 HydrophobicContact CB-CG2 4.45Å; I83-T85 HydrophobicContact CG2-CG2 3.83Å; I83-T85 PolarHBondContact O-N 3.11Å; T85-S87 PolarHBondContact OG1-N 2.94Å; T85-G98 PolarHBondContact N-O 3.48Å; T85-G98 CarbonylContact O-C 3.59Å; T85-G98 VanDerWaalsContact O-C 3.24Å; T85-G98 WeakPolarHBondContact O-CA 3.28Å; T85-K100 HydrophobicContact CG2-CD 3.48Å; T85-K100 VanDerWaalsContact CG2-CD 3.48Å; T85-K100 HydrophobicContact CG2-CG 4.36Å; T85-D261 HydrophobicContact CG2-CB 3.97Å; T85-D261 WeakPolarHBondContact OG1-CB 3.46Å
86A95.8Very high95.7Very high21 Ų2143.8 Ų43.817%0.17424%0.237CC..  trans-113.126.9162.700000111.9R34 H88 S89 D96R34-A86 VanDerWaalsContact CZ-N 3.27Å; A86-H88 PolarHBondContact O-N 2.98Å; A86-S89 WeakPolarHBondContact O-CB 3.37Å; A86-S89 PolarHBondContact O-N 3.3Å; A86-S89 PolarHBondContact O-OG 3Å; A86-D96 HydrophobicContact CB-CB 4.23Å
87S92.8Very high95.7Very high10 Ų1043.7 Ų43.77%0.0724%0.236CC..THydrogen-bonded Turntrans49.5-128.4177.5172.80000110.4R34 T85 S89 D259 A260 D261 R264R34-S87 PolarHBondContact NH2-O 3.29Å; T85-S87 PolarHBondContact OG1-N 2.94Å; S87-S89 PolarHBondContact O-N 3.25Å; S87-S89 VanDerWaalsContact O-N 3.08Å; S87-D259 PolarHBondContact OG-OD2 3.29Å; S87-A260 VanDerWaalsContact O-CB 3.24Å; S87-A260 WeakPolarHBondContact O-CB 3.48Å; S87-D261 WeakPolarHBondContact CA-OD1 3.23Å; S87-D261 WeakPolarHBondContact CB-OD1 3.39Å; S87-D261 PolarHBondContact OG-OD1 3.18Å; S87-R264 PolarHBondContact OG-NH2 3.23Å
88H90Very high95.6Very high62 Ų6236 Ų3629%0.28721%0.208SC..THydrogen-bonded Turntrans-58.5-11.7178.464.4-56.9000117.3A86 I233 P234 D235 R264A86-H88 PolarHBondContact O-N 2.98Å; H88-I233 WeakPolarHBondContact O-CG2 3.01Å; H88-P234 WeakPolarHBondContact CA-O 3.36Å; H88-D235 HydrophobicContact CB-CB 3.97Å; H88-D235 IonicContact CD2-OD1 2.73Å; H88-D235 IonicContact CD2-OD2 3.26Å; H88-R264 PolarHBondContact CE1-NH1 3.32Å; H88-R264 VanDerWaalsContact CG-NH1 3.31Å; H88-R264 PolarHBondContact ND1-NH1 2.92Å; H88-R264 VanDerWaalsContact ND1-NH1 3.15Å; H88-R264 PolarHBondContact ND1-NH2 2.7Å
89S90.7Very high95.6Very high32 Ų3237.5 Ų37.522%0.22422%0.215CC..SBendtrans-71.6146.9179.8-62.10000112.8R34 A86 S87 D96R34-S89 PolarHBondContact NH1-O 3.37Å; R34-S89 PolarHBondContact NH2-O 3.32Å; A86-S89 WeakPolarHBondContact O-CB 3.37Å; A86-S89 PolarHBondContact O-N 3.3Å; A86-S89 PolarHBondContact O-OG 3Å; S87-S89 PolarHBondContact O-N 3.25Å; S87-S89 VanDerWaalsContact O-N 3.08Å; S89-D96 WeakPolarHBondContact CB-OD2 3.4Å
90P91.7Very high95.5Very high42 Ų4237.4 Ų37.427%0.27321%0.212SC..  trans-58.9153.8-177.425.1-34.7000113.2R34 D96 I233R34-P90 PolarHBondContact NH1-O 3.41Å; P90-D96 WeakPolarHBondContact CD-OD2 3.28Å; P90-D96 PolarHBondContact O-N 3.46Å; P90-I233 HydrophobicContact CB-CG1 4.3Å
91G93.8Very high95.5Very high13 Ų1338.4 Ų38.413%0.13422%0.216CC..  trans-105.2-166.717800000113.1G95 F229G91-G95 VanDerWaalsContact O-CA 3.3Å; G91-G95 WeakPolarHBondContact O-CA 3.18Å; G91-G95 PolarHBondContact O-N 3.33Å; G91-F229 VanDerWaalsContact N-CD2 3.35Å
92G95.3Very high95.5Very high11 Ų1138.5 Ų38.511%0.11322%0.217CC..SBendtrans87.5-172.7175.300000114.3N35 N94 G95 S227N35-G92 WeakPolarHBondContact CB-O 3.31Å; N35-G92 PolarHBondContact ND2-O 2.87Å; N35-G92 VanDerWaalsContact ND2-O 3.14Å; G92-N94 VanDerWaalsContact C-N 3.28Å; G92-N94 PolarHBondContact O-N 3.34Å; G92-G95 PolarHBondContact O-N 3.46Å; G92-S227 PolarHBondContact N-O 3.38Å
93Q93.8Very high95.5Very high149 Ų14939.1 Ų39.170%0.69622%0.223SC*.THydrogen-bonded Turntrans-66.4-30.7-173.5-172.459.527.500113.6N35N35-Q93 WeakPolarHBondContact ND2-CA 3.43Å; N35-Q93 PolarHBondContact ND2-OE1 2.87Å
94N92.4Very high95.4Very high166 Ų16642.9 Ų42.989%0.88825%0.25SS*.THydrogen-bonded Turntrans-109.29.4179.7-58-33.6000112.4G92G92-N94 VanDerWaalsContact C-N 3.28Å; G92-N94 PolarHBondContact O-N 3.34Å
95G93.1Very high95.3Very high26 Ų2644.6 Ų44.627%0.26826%0.259SS..SBendtrans-94.2-166.6177.200000112.9G91 G92G91-G95 VanDerWaalsContact O-CA 3.3Å; G91-G95 WeakPolarHBondContact O-CA 3.18Å; G91-G95 PolarHBondContact O-N 3.33Å; G92-G95 PolarHBondContact O-N 3.46Å
96D94.7Very high95.3Very high83 Ų8344.5 Ų44.544%0.44426%0.258SS..  trans-98153.2-173.5-63.1-44.3000112.5R34 A86 S89 P90R34-D96 WeakPolarHBondContact CD-O 3.5Å; R34-D96 PolarHBondContact NH1-O 3.13Å; R34-D96 VanDerWaalsContact NH1-O 3.08Å; A86-D96 HydrophobicContact CB-CB 4.23Å; S89-D96 WeakPolarHBondContact CB-OD2 3.4Å; P90-D96 WeakPolarHBondContact CD-OD2 3.28Å; P90-D96 PolarHBondContact O-N 3.46Å
97F96.8Very high95.4Very high61 Ų6143.5 Ų43.527%0.26825%0.25SS..  trans-134.8138.1176.3-165-92.3000110.5R34 N35 L36 N37 V40 L84 I99R34-F97 HydrophobicContact CG-CD2 3.93Å; R34-F97 HydrophobicContact CG-CE2 4.08Å; N35-F97 WeakPolarHBondContact O-CD2 3.41Å; N35-F97 VanDerWaalsContact O-CE2 3.31Å; N35-F97 WeakPolarHBondContact O-CE2 3.11Å; L36-F97 HydrophobicContact CB-CD2 3.83Å; L36-F97 HydrophobicContact CB-CE2 3.68Å; L36-F97 HydrophobicContact CB-CZ 4.31Å; L36-F97 HydrophobicContact CD1-CD2 4.37Å; L36-F97 HydrophobicContact CD1-CG 4.45Å; N37-F97 WeakPolarHBondContact ND2-CE2 3.5Å; V40-F97 HydrophobicContact CB-CE1 4.27Å; V40-F97 HydrophobicContact CB-CZ 3.96Å; V40-F97 HydrophobicContact CG1-CE1 4.2Å; V40-F97 HydrophobicContact CG1-CZ 4.27Å; V40-F97 HydrophobicContact CG2-CE1 3.89Å; V40-F97 HydrophobicContact CG2-CZ 3.79Å; L84-F97 HydrophobicContact CB-CZ 4.07Å; L84-F97 HydrophobicContact CD1-CZ 4.13Å; L84-F97 HydrophobicContact CD2-CE1 4.22Å; L84-F97 HydrophobicContact CD2-CZ 4.21Å; L84-F97 HydrophobicContact CG-CZ 4.4Å; F97-I99 HydrophobicContact CD1-CG1 4.34Å; F97-I99 HydrophobicContact CE1-CD1 4.41Å; F97-I99 HydrophobicContact CE1-CG1 3.92Å
98G97.1Very high95.6Very high18 Ų1844.3 Ų44.319%0.18626%0.255CS..  trans-133.9151.3-178.900000112.5L84 T85L84-G98 CarbonylContact C-O 3.59Å; L84-G98 WeakPolarHBondContact CA-O 3.41Å; T85-G98 PolarHBondContact N-O 3.48Å; T85-G98 CarbonylContact O-C 3.59Å; T85-G98 VanDerWaalsContact O-C 3.24Å; T85-G98 WeakPolarHBondContact O-CA 3.28Å
99I98.3Very high95.9Very high33 Ų3342.6 Ų42.617%0.16925%0.249CC..EExtended strand (participates in β ladder)trans-126.2103.5174.1-55-177.8000106.9F9 I10 I13 V40 I82 L84 F97F9-I99 HydrophobicContact CD1-CB 3.99Å; F9-I99 HydrophobicContact CD1-CD1 4.13Å; F9-I99 HydrophobicContact CD1-CG2 4.08Å; F9-I99 HydrophobicContact CE1-CB 3.92Å; F9-I99 HydrophobicContact CE1-CG2 4.07Å; I10-I99 HydrophobicContact CG1-CD1 4.48Å; I13-I99 HydrophobicContact CD1-CG2 3.68Å; V40-I99 HydrophobicContact CG1-CD1 4.28Å; I82-I99 HydrophobicContact CG2-CG2 3.6Å; L84-I99 HydrophobicContact CD2-CB 4.4Å; L84-I99 HydrophobicContact CD2-CD1 4.45Å; L84-I99 HydrophobicContact CD2-CG1 3.86Å; L84-I99 HydrophobicContact CD2-CG2 4.19Å; F97-I99 HydrophobicContact CD1-CG1 4.34Å; F97-I99 HydrophobicContact CE1-CD1 4.41Å; F97-I99 HydrophobicContact CE1-CG1 3.92Å
100K97.8Very high95.9Very high55 Ų5542.9 Ų42.924%0.23925%0.251CS..EExtended strand (participates in β ladder)trans-89.9148.5173.6-64.8165.277.41770109.4I82 I83 T85 D261 D263I82-K100 WeakPolarHBondContact CA-O 3.27Å; I83-K100 HydrophobicContact CB-CB 4.16Å; I83-K100 PolarHBondContact N-O 3.32Å; I83-K100 PolarHBondContact O-N 3.29Å; T85-K100 HydrophobicContact CG2-CD 3.48Å; T85-K100 VanDerWaalsContact CG2-CD 3.48Å; T85-K100 HydrophobicContact CG2-CG 4.36Å; K100-D261 IonicContact NZ-OD2 2.81Å; K100-D261 PolarHBondContact NZ-OD2 3.02Å; K100-D263 IonicContact NZ-OD2 3.17Å
101F98.3Very high95.8Very high20 Ų2043.5 Ų43.59%0.08825%0.252CS..EExtended strand (participates in β ladder)trans-123.6121.3173-176.2-120.2000110.3I13 L18 L27 A81 I82 V109 I117I13-F101 HydrophobicContact CD1-CB 4.5Å; I13-F101 HydrophobicContact CG2-CB 4.26Å; I13-F101 HydrophobicContact CG2-CD1 4.16Å; I13-F101 HydrophobicContact CG2-CD2 3.33Å; I13-F101 HydrophobicContact CG2-CE1 4.4Å; I13-F101 HydrophobicContact CG2-CE2 3.63Å; I13-F101 HydrophobicContact CG2-CG 3.65Å; I13-F101 HydrophobicContact CG2-CZ 4.17Å; L18-F101 HydrophobicContact CD2-CZ 4.01Å; L18-F101 HydrophobicContact CG-CZ 4.15Å; L27-F101 HydrophobicContact CD2-CE2 4.38Å; A81-F101 WeakPolarHBondContact O-CA 3.43Å; A81-F101 WeakPolarHBondContact O-CD2 3.35Å; I82-F101 HydrophobicContact CG1-CD2 4.16Å; F101-V109 HydrophobicContact CD1-CB 4.35Å; F101-V109 HydrophobicContact CD1-CG1 3.38Å; F101-V109 HydrophobicContact CD1-CG2 4.1Å; F101-V109 HydrophobicContact CE1-CG1 3.61Å; F101-V109 HydrophobicContact CG-CG1 4.3Å; F101-V109 PolarHBondContact O-N 3.26Å; F101-I117 HydrophobicContact CD1-CD1 3.99Å
102N98.7Very high95.7Very high2 Ų246.9 Ų46.91%0.01127%0.273CS..EExtended strand (participates in β ladder)trans-105.8144.4175.3-77.127.7000110.1I73 G80 A81 G106 G107 E358I73-N102 HydrophobicContact CD1-CB 3.88Å; G80-N102 CarbonylContact C-O 3.54Å; G80-N102 WeakPolarHBondContact CA-O 3.38Å; A81-N102 HydrophobicContact CB-CB 4.46Å; A81-N102 PolarHBondContact N-O 2.77Å; A81-N102 PolarHBondContact O-N 2.65Å; N102-G106 PolarHBondContact ND2-O 3.16Å; N102-G106 VanDerWaalsContact ND2-O 3.08Å; N102-G107 CarbonylContact C-O 3.53Å; N102-G107 WeakPolarHBondContact CA-O 3.26Å; N102-G107 WeakPolarHBondContact CB-O 3.15Å; N102-G107 VanDerWaalsContact CG-C 3.41Å; N102-G107 VanDerWaalsContact ND2-C 3.35Å; N102-E358 PolarHBondContact ND2-OE1 3.25Å
103G97.8Very high95.7Very high14 Ų1447.9 Ų47.914%0.14428%0.277CS..EExtended strand (participates in β ladder)trans-85.4175.8178.800000113.2N105 G106 G107G103-N105 PolarHBondContact O-N 3Å; G103-G106 PolarHBondContact O-N 2.82Å; G103-G107 PolarHBondContact N-O 2.99Å
104S97.7Very high95.7Very high81 Ų8143 Ų4357%0.56626%0.263SS*.THydrogen-bonded Turntrans-56.7-19.2179.960.40000116.3I73 A78 D79 G106I73-S104 WeakPolarHBondContact CG2-O 3.25Å; A78-S104 WeakPolarHBondContact O-CA 3.39Å; D79-S104 WeakPolarHBondContact O-CA 3.45Å; D79-S104 WeakPolarHBondContact O-CB 3.21Å; D79-S104 PolarHBondContact O-N 3.02Å; D79-S104 VanDerWaalsContact O-N 3.12Å; S104-G106 PolarHBondContact O-N 2.91Å
105N97.1Very high95.9Very high35 Ų3539.3 Ų39.319%0.18724%0.24CC..THydrogen-bonded Turntrans-75-16.1174.266-8.4000112.9R74 G103 G107 D337 R357R74-N105 WeakPolarHBondContact CD-O 3.48Å; R74-N105 VanDerWaalsContact CG-O 3.27Å; R74-N105 WeakPolarHBondContact CG-O 3.45Å; R74-N105 PolarHBondContact NH1-O 2.98Å; R74-N105 VanDerWaalsContact NH1-O 3.11Å; G103-N105 PolarHBondContact O-N 3Å; N105-G107 PolarHBondContact OD1-N 3.45Å; N105-D337 VanDerWaalsContact CB-OD2 3.25Å; N105-D337 WeakPolarHBondContact CB-OD2 3.35Å; N105-D337 PolarHBondContact ND2-OD2 2.93Å; N105-R357 HydrophobicContact CB-CG 4.4Å; N105-R357 WeakPolarHBondContact O-CG 3.2Å
106G98.2Very high96Very high0 Ų040.8 Ų40.80%024%0.242CC..SBendtrans104.1-7-177.400000114.6S70 N102 G103 S104S70-G106 WeakPolarHBondContact CA-O 3.34Å; S70-G106 VanDerWaalsContact CB-O 3.24Å; S70-G106 WeakPolarHBondContact CB-O 3.28Å; S70-G106 PolarHBondContact OG-O 3.3Å; N102-G106 PolarHBondContact ND2-O 3.16Å; N102-G106 VanDerWaalsContact ND2-O 3.08Å; G103-G106 PolarHBondContact O-N 2.82Å; S104-G106 PolarHBondContact O-N 2.91Å
107G97.6Very high96.2Very high0 Ų037.2 Ų37.20%022%0.222CC..SBendtrans-108.3174.1-172.100000113.3N102 G103 N105 V109 R357N102-G107 CarbonylContact C-O 3.53Å; N102-G107 WeakPolarHBondContact CA-O 3.26Å; N102-G107 WeakPolarHBondContact CB-O 3.15Å; N102-G107 VanDerWaalsContact CG-C 3.41Å; N102-G107 VanDerWaalsContact ND2-C 3.35Å; G103-G107 PolarHBondContact N-O 2.99Å; N105-G107 PolarHBondContact OD1-N 3.45Å; G107-V109 PolarHBondContact O-N 3.23Å; G107-R357 VanDerWaalsContact CA-CB 3.4Å; G107-R357 WeakPolarHBondContact CA-O 3.46Å; G107-R357 VanDerWaalsContact N-CB 3.33Å
108P96.6Very high96.3Very high27 Ų2740 Ų4018%0.17523%0.232CC..BIsolated β-bridgetrans-54.4139.1174-23.333.5000110.6E358P108-E358 WeakPolarHBondContact CD-OE1 3.25Å; P108-E358 WeakPolarHBondContact CG-OE1 3.41Å
109V95.7Very high96.3Very high26 Ų2643 Ų4316%0.15824%0.241CC..PPolyproline II helixtrans-63.8152.1176.8-66.30000111.9F101 G107 V113 A114F101-V109 HydrophobicContact CD1-CB 4.35Å; F101-V109 HydrophobicContact CD1-CG1 3.38Å; F101-V109 HydrophobicContact CD1-CG2 4.1Å; F101-V109 HydrophobicContact CE1-CG1 3.61Å; F101-V109 HydrophobicContact CG-CG1 4.3Å; F101-V109 PolarHBondContact O-N 3.26Å; G107-V109 PolarHBondContact O-N 3.23Å; V109-V113 HydrophobicContact CB-CB 3.9Å; V109-V113 HydrophobicContact CB-CG1 3.8Å; V109-V113 HydrophobicContact CG1-CG1 4.02Å; V109-V113 HydrophobicContact CG2-CB 4.17Å; V109-V113 HydrophobicContact CG2-CG1 3.96Å; V109-A114 HydrophobicContact CG2-CB 4.47Å
110S91.8Very high96.3Very high38 Ų3844.1 Ų44.127%0.26625%0.247SC..PPolyproline II helixtrans-63.1159177.372.40000112S112 V113 A114S110-S112 PolarHBondContact O-N 3Å; S110-S112 VanDerWaalsContact O-N 3.16Å; S110-S112 PolarHBondContact OG-OG 2.98Å; S110-V113 PolarHBondContact O-N 3.19Å; S110-A114 PolarHBondContact O-N 3.25Å
111I89.6Confident96.4Very high55 Ų5543.6 Ų43.628%0.28225%0.248SC..Hα-helixtrans-52.8-39.7177-62.7175.4000111.2V113 A114 E115 F331 T450I111-V113 VanDerWaalsContact C-N 3.31Å; I111-V113 PolarHBondContact O-N 2.76Å; I111-A114 PolarHBondContact O-N 2.92Å; I111-E115 VanDerWaalsContact O-CB 3.31Å; I111-E115 WeakPolarHBondContact O-CB 3.31Å; I111-E115 PolarHBondContact O-N 3.39Å; I111-F331 HydrophobicContact CD1-CE2 4.16Å; I111-F331 HydrophobicContact CD1-CZ 3.74Å; I111-T450 HydrophobicContact CD1-CG2 3.67Å
112S91.6Very high96.3Very high84 Ų8447.8 Ų47.859%0.58727%0.267SS*.Hα-helixtrans-62.2-36.3179.270.40000113.4S110 N116S110-S112 PolarHBondContact O-N 3Å; S110-S112 VanDerWaalsContact O-N 3.16Å; S110-S112 PolarHBondContact OG-OG 2.98Å; S112-N116 WeakPolarHBondContact O-CB 3.49Å; S112-N116 PolarHBondContact O-N 3.37Å; S112-N116 VanDerWaalsContact O-N 3.09Å
113V95.1Very high96.3Very high33 Ų3352.3 Ų52.320%0.230%0.295CS..Hα-helixtrans-75.2-43.3177.9175.20000110.1V109 S110 I111 E115 N116 I117V109-V113 HydrophobicContact CB-CB 3.9Å; V109-V113 HydrophobicContact CB-CG1 3.8Å; V109-V113 HydrophobicContact CG1-CG1 4.02Å; V109-V113 HydrophobicContact CG2-CB 4.17Å; V109-V113 HydrophobicContact CG2-CG1 3.96Å; S110-V113 PolarHBondContact O-N 3.19Å; I111-V113 VanDerWaalsContact C-N 3.31Å; I111-V113 PolarHBondContact O-N 2.76Å; V113-E115 VanDerWaalsContact C-N 3.33Å; V113-E115 PolarHBondContact O-N 2.77Å; V113-N116 WeakPolarHBondContact O-CB 3.37Å; V113-N116 PolarHBondContact O-N 2.69Å; V113-I117 HydrophobicContact CG1-CD1 4.18Å; V113-I117 WeakPolarHBondContact O-CG1 3.35Å; V113-I117 PolarHBondContact O-N 3.48Å
114A94.5Very high96.4Very high47 Ų4753.6 Ų53.639%0.38830%0.298SS..Hα-helixtrans-59-43.9174.800000111.8V109 S110 I111 N116 I117 Y118V109-A114 HydrophobicContact CG2-CB 4.47Å; S110-A114 PolarHBondContact O-N 3.25Å; I111-A114 PolarHBondContact O-N 2.92Å; A114-N116 PolarHBondContact O-N 2.74Å; A114-I117 PolarHBondContact O-N 2.93Å; A114-Y118 PolarHBondContact O-N 3.28Å
115E95Very high96.4Very high88 Ų8856.4 Ų56.441%0.41131%0.312SS..Hα-helixtrans-63.5-41.2176.5-176.157.7-153.500111.6I111 V113 I117 Y118 Q119I111-E115 VanDerWaalsContact O-CB 3.31Å; I111-E115 WeakPolarHBondContact O-CB 3.31Å; I111-E115 PolarHBondContact O-N 3.39Å; V113-E115 VanDerWaalsContact C-N 3.33Å; V113-E115 PolarHBondContact O-N 2.77Å; E115-I117 VanDerWaalsContact C-N 3.34Å; E115-I117 PolarHBondContact O-N 3.45Å; E115-Y118 PolarHBondContact O-N 2.91Å; E115-Q119 VanDerWaalsContact O-CG 3.32Å; E115-Q119 WeakPolarHBondContact O-CG 3.45Å; E115-Q119 PolarHBondContact O-N 3.09Å; E115-Q119 PolarHBondContact OE1-NE2 2.9Å
116N97Very high96.4Very high57 Ų5764.6 Ų64.631%0.30534%0.34SS..Hα-helixtrans-60.3-43.9175.1-172.942.8000111.8G16 S112 V113 A114 Q119 L120G16-N116 VanDerWaalsContact CA-ND2 3.33Å; G16-N116 WeakPolarHBondContact CA-ND2 3.46Å; G16-N116 PolarHBondContact O-ND2 2.98Å; S112-N116 WeakPolarHBondContact O-CB 3.49Å; S112-N116 PolarHBondContact O-N 3.37Å; S112-N116 VanDerWaalsContact O-N 3.09Å; V113-N116 WeakPolarHBondContact O-CB 3.37Å; V113-N116 PolarHBondContact O-N 2.69Å; A114-N116 PolarHBondContact O-N 2.74Å; N116-Q119 PolarHBondContact O-N 2.73Å; N116-L120 WeakPolarHBondContact O-CG 3.11Å; N116-L120 PolarHBondContact O-N 2.81Å
117I98.4Very high96.4Very high7 Ų767.7 Ų67.74%0.03635%0.352CS..Hα-helixtrans-60.3-47.5174.7-65.6165.4000109.8F9 C12 I13 F101 V113 A114 E115 Q119 L120 T121F9-I117 HydrophobicContact CE2-CG2 4.01Å; F9-I117 HydrophobicContact CZ-CG2 4.46Å; C12-I117 HydrophobicContact CB-CG2 4.05Å; I13-I117 HydrophobicContact CG1-CD1 4.45Å; I13-I117 HydrophobicContact CG1-CG2 4.34Å; F101-I117 HydrophobicContact CD1-CD1 3.99Å; V113-I117 HydrophobicContact CG1-CD1 4.18Å; V113-I117 WeakPolarHBondContact O-CG1 3.35Å; V113-I117 PolarHBondContact O-N 3.48Å; A114-I117 PolarHBondContact O-N 2.93Å; E115-I117 VanDerWaalsContact C-N 3.34Å; E115-I117 PolarHBondContact O-N 3.45Å; I117-Q119 PolarHBondContact O-N 2.81Å; I117-L120 WeakPolarHBondContact O-CB 3.43Å; I117-L120 PolarHBondContact O-N 2.88Å; I117-L120 VanDerWaalsContact O-N 3.17Å; I117-T121 WeakPolarHBondContact O-CG2 3.35Å; I117-T121 PolarHBondContact O-N 3.35Å
118Y97.8Very high96.4Very high120 Ų12070.3 Ų70.347%0.47137%0.37SS..Hα-helixtrans-60.9-38.6179175.2-116.9000113.7A114 E115 L120 T121 K122A114-Y118 PolarHBondContact O-N 3.28Å; E115-Y118 PolarHBondContact O-N 2.91Å; Y118-L120 VanDerWaalsContact C-N 3.31Å; Y118-L120 PolarHBondContact O-N 3.29Å; Y118-T121 PolarHBondContact O-N 2.63Å; Y118-T121 PolarHBondContact O-OG1 3.17Å; Y118-K122 HydrophobicContact CE1-CD 4.07Å; Y118-K122 HydrophobicContact CE2-CD 4.31Å; Y118-K122 HydrophobicContact CE2-CG 4.37Å; Y118-K122 PolarHBondContact O-N 3.45Å
119Q98.4Very high96.5Very high82 Ų8271.6 Ų71.638%0.38338%0.378SS..Hα-helixtrans-66.1-35.7176.5-67-64.8-27.200112E115 N116 I117 K122 T123E115-Q119 VanDerWaalsContact O-CG 3.32Å; E115-Q119 WeakPolarHBondContact O-CG 3.45Å; E115-Q119 PolarHBondContact O-N 3.09Å; E115-Q119 PolarHBondContact OE1-NE2 2.9Å; N116-Q119 PolarHBondContact O-N 2.73Å; I117-Q119 PolarHBondContact O-N 2.81Å; Q119-K122 PolarHBondContact O-N 3.1Å; Q119-T123 PolarHBondContact O-OG1 3.22Å
120L98.4Very high96.6Very high55 Ų5571.4 Ų71.429%0.28838%0.377SS..Hα-helixtrans-67.6-38.9174.4-67.7172.5000112C12 D15 G16 N116 I117 Y118 K122 T123 I124C12-L120 HydrophobicContact CB-CB 4.14Å; D15-L120 HydrophobicContact CB-CD1 3.87Å; G16-L120 VanDerWaalsContact CA-CD1 3.46Å; N116-L120 WeakPolarHBondContact O-CG 3.11Å; N116-L120 PolarHBondContact O-N 2.81Å; I117-L120 WeakPolarHBondContact O-CB 3.43Å; I117-L120 PolarHBondContact O-N 2.88Å; I117-L120 VanDerWaalsContact O-N 3.17Å; Y118-L120 VanDerWaalsContact C-N 3.31Å; Y118-L120 PolarHBondContact O-N 3.29Å; L120-K122 PolarHBondContact O-N 3.3Å; L120-T123 PolarHBondContact O-N 2.89Å; L120-T123 PolarHBondContact O-OG1 3Å; L120-I124 WeakPolarHBondContact O-CB 3.35Å; L120-I124 PolarHBondContact O-N 3.47Å
121T98.2Very high96.8Very high44 Ų4473.9 Ų73.927%0.2739%0.393SS..Hα-helixtrans-63-27.7179.965.70000112.8F9 C12 I117 Y118 T123F9-T121 HydrophobicContact CD2-CG2 3.73Å; F9-T121 HydrophobicContact CE2-CG2 4.18Å; C12-T121 HydrophobicContact CB-CG2 3.7Å; I117-T121 WeakPolarHBondContact O-CG2 3.35Å; I117-T121 PolarHBondContact O-N 3.35Å; Y118-T121 PolarHBondContact O-N 2.63Å; Y118-T121 PolarHBondContact O-OG1 3.17Å; T121-T123 VanDerWaalsContact C-N 3.33Å
122K98.3Very high97.1Very high108 Ų10880.2 Ų80.247%0.4742%0.421SS..THydrogen-bonded Turntrans-76-18.1176.1-68.1-176.4-65.3-175.80114.2Y118 Q119 L120Y118-K122 HydrophobicContact CE1-CD 4.07Å; Y118-K122 HydrophobicContact CE2-CD 4.31Å; Y118-K122 HydrophobicContact CE2-CG 4.37Å; Y118-K122 PolarHBondContact O-N 3.45Å; Q119-K122 PolarHBondContact O-N 3.1Å; L120-K122 PolarHBondContact O-N 3.3Å
123T98.3Very high97.4Very high98 Ų9877.3 Ų77.360%0.60140%0.399SS*.THydrogen-bonded Turntrans-124.3-5.7-170.756.70000113.7Q119 L120 T121 T125Q119-T123 PolarHBondContact O-OG1 3.22Å; L120-T123 PolarHBondContact O-N 2.89Å; L120-T123 PolarHBondContact O-OG1 3Å; T121-T123 VanDerWaalsContact C-N 3.33Å; T123-T125 PolarHBondContact O-N 3.36Å
124I98.3Very high97.6Very high40 Ų4081.7 Ų81.721%0.20542%0.42CS..  trans-58.8131.5178.5-170.9168.7000111.3N8 Q11 L120 R126N8-I124 HydrophobicContact CB-CD1 4.27Å; N8-I124 HydrophobicContact CB-CG2 4.21Å; Q11-I124 HydrophobicContact CB-CD1 3.91Å; Q11-I124 HydrophobicContact CG-CD1 3.78Å; L120-I124 WeakPolarHBondContact O-CB 3.35Å; L120-I124 PolarHBondContact O-N 3.47Å; I124-R126 WeakPolarHBondContact CD1-O 3.18Å; I124-R126 VanDerWaalsContact CG1-O 3.3Å; I124-R126 WeakPolarHBondContact CG1-O 3.49Å
125T98.1Very high97.7Very high140 Ų14079.7 Ų79.786%0.85940%0.403SS*.  trans-121.2-10.7177.952.50000113.1T123T123-T125 PolarHBondContact O-N 3.36Å
126R98.1Very high97.9Very high208 Ų20879.5 Ų79.579%0.78541%0.405SS*.  trans-155.2153179.364.4179.8-175.2173.31.2111I124I124-R126 WeakPolarHBondContact CD1-O 3.18Å; I124-R126 VanDerWaalsContact CG1-O 3.3Å; I124-R126 WeakPolarHBondContact CG1-O 3.49Å
127Y98.4Very high97.9Very high64 Ų6477.8 Ų77.825%0.25139%0.394SS..  trans-131.1158.6165.464.7-90.6000109.9H4 E7 N8 T129H4-Y127 HydrophobicContact CB-CE1 4.29Å; H4-Y127 AromaticContact ND1-CE1 3.75Å; H4-Y127 AromaticContact ND1-CZ 3.84Å; H4-Y127 PolarHBondContact ND1-OH 3.18Å; E7-Y127 HydrophobicContact CB-CD1 4.13Å; E7-Y127 HydrophobicContact CB-CD2 4.02Å; E7-Y127 HydrophobicContact CB-CE1 3.94Å; E7-Y127 HydrophobicContact CB-CE2 3.81Å; E7-Y127 HydrophobicContact CB-CG 4.17Å; E7-Y127 HydrophobicContact CG-CD2 4.49Å; E7-Y127 HydrophobicContact CG-CE2 3.9Å; N8-Y127 WeakPolarHBondContact OD1-CD1 3.32Å; Y127-T129 HydrophobicContact CD2-CG2 4.28Å; Y127-T129 HydrophobicContact CE2-CG2 3.76Å
128S97.9Very high97.9Very high55 Ų5581.6 Ų81.639%0.38542%0.418SS..  trans-104.3137.9176.8-54.70000109.8I47 A50I47-S128 WeakPolarHBondContact CA-O 3.42Å; A50-S128 VanDerWaalsContact CB-C 3.48Å
129T98.2Very high97.9Very high54 Ų5479 Ų7933%0.33142%0.418SS..  trans-151.6150.6-178.1-1710000111.5R46 Y127 P131R46-T129 WeakPolarHBondContact CB-OG1 3.47Å; Y127-T129 HydrophobicContact CD2-CG2 4.28Å; Y127-T129 HydrophobicContact CE2-CG2 3.76Å; T129-P131 WeakPolarHBondContact O-CD 3.46Å
130C98Very high97.9Very high22 Ų2279.7 Ų79.715%0.14943%0.427CS..  trans-10486169.2-61.60000108.6R46 E132 L133 I147R46-C130 WeakPolarHBondContact CB-O 3.44Å; R46-C130 WeakPolarHBondContact CG-O 3.38Å; R46-C130 PolarHBondContact O-N 2.99Å; R46-C130 VanDerWaalsContact O-N 3.12Å; C130-E132 PolarHBondContact O-N 3Å; C130-E132 VanDerWaalsContact O-N 3.15Å; C130-L133 HydrophobicContact CB-CB 3.99Å; C130-L133 WeakPolarHBondContact O-CB 3.29Å; C130-L133 PolarHBondContact O-N 2.88Å; C130-I147 HydrophobicContact CB-CD1 4.38Å
131P95.9Very high97.9Very high91 Ų9178.7 Ų78.759%0.59143%0.43SS*.THydrogen-bonded Turntrans-62.5-29.4-16524.4-33.7000114.1R46 T129R46-P131 PolarHBondContact NE-O 3.47Å; T129-P131 WeakPolarHBondContact O-CD 3.46Å
132E96.1Very high97.9Very high187 Ų18780.2 Ų80.287%0.87444%0.443SS*.THydrogen-bonded Turntrans-82.2-12.5-179.5-60.2-177.5176.600113.4C130 L134C130-E132 PolarHBondContact O-N 3Å; C130-E132 VanDerWaalsContact O-N 3.15Å; E132-L134 PolarHBondContact O-N 3.35Å
133L97.8Very high97.9Very high23 Ų2378 Ų7812%0.1243%0.434CS..  trans-66.7129.6-179.7176.362000110.3F45 R46 A49 C130 I135 V145 M153F45-L133 HydrophobicContact CB-CD2 4.4Å; R46-L133 HydrophobicContact CG-CB 4.11Å; R46-L133 PolarHBondContact NE-O 3.21Å; R46-L133 PolarHBondContact NH2-O 2.8Å; A49-L133 HydrophobicContact CB-CD2 3.74Å; C130-L133 HydrophobicContact CB-CB 3.99Å; C130-L133 WeakPolarHBondContact O-CB 3.29Å; C130-L133 PolarHBondContact O-N 2.88Å; L133-I135 HydrophobicContact CD1-CD1 3.85Å; L133-I135 HydrophobicContact CD1-CG1 4.37Å; L133-I135 HydrophobicContact CG-CD1 4.35Å; L133-I135 HydrophobicContact CG-CG1 4.38Å; L133-V145 HydrophobicContact CD1-CB 4.34Å; L133-V145 HydrophobicContact CD1-CG1 3.55Å; L133-V145 HydrophobicContact CD1-CG2 3.84Å; L133-V145 HydrophobicContact CD2-CG1 4.2Å; L133-V145 HydrophobicContact CG-CG1 4.48Å; L133-M153 HydrophobicContact CD2-CE 4.1Å
134L97.9Very high97.9Very high125 Ų12581.1 Ų81.165%0.65444%0.435SS*.  trans-132.5125.5172.6-172.772.4000108.7Q42 E132Q42-L134 HydrophobicContact CG-CD1 4.32Å; E132-L134 PolarHBondContact O-N 3.35Å
135I98.3Very high97.8Very high5 Ų580.4 Ų80.43%0.02643%0.432CS..  trans-106.8133.1177.4-62.5-61.6000109.1Q42 F45 L133 V145 V155Q42-I135 PolarHBondContact NE2-O 3.22Å; F45-I135 HydrophobicContact CB-CG1 3.84Å; F45-I135 HydrophobicContact CD1-CG1 4.24Å; F45-I135 HydrophobicContact CD2-CB 3.57Å; F45-I135 HydrophobicContact CD2-CG1 3.69Å; F45-I135 HydrophobicContact CD2-CG2 4.17Å; F45-I135 HydrophobicContact CE1-CG2 4.48Å; F45-I135 HydrophobicContact CE2-CB 3.77Å; F45-I135 HydrophobicContact CE2-CG1 4.31Å; F45-I135 HydrophobicContact CE2-CG2 3.92Å; F45-I135 HydrophobicContact CG-CB 4.07Å; F45-I135 HydrophobicContact CG-CG1 3.67Å; F45-I135 HydrophobicContact CZ-CB 4.38Å; F45-I135 HydrophobicContact CZ-CG2 4.09Å; L133-I135 HydrophobicContact CD1-CD1 3.85Å; L133-I135 HydrophobicContact CD1-CG1 4.37Å; L133-I135 HydrophobicContact CG-CD1 4.35Å; L133-I135 HydrophobicContact CG-CG1 4.38Å; I135-V145 HydrophobicContact CD1-CG2 3.76Å; I135-V155 HydrophobicContact CD1-CB 4.49Å; I135-V155 HydrophobicContact CD1-CG2 3.84Å; I135-V155 HydrophobicContact CG1-CG2 4.14Å; I135-V155 HydrophobicContact CG2-CB 4.27Å; I135-V155 HydrophobicContact CG2-CG1 3.96Å; I135-V155 HydrophobicContact CG2-CG2 4.41Å
136N98.1Very high97.8Very high85 Ų8579.3 Ų79.346%0.45542%0.421SS..  trans-87117.6167.8-1791.5000109.8T138 Q143N136-T138 PolarHBondContact OD1-N 2.79Å; N136-T138 VanDerWaalsContact OD1-N 3.12Å; N136-T138 PolarHBondContact OD1-OG1 3.23Å; N136-Q143 VanDerWaalsContact N-OE1 3.11Å; N136-Q143 PolarHBondContact O-NE2 3.14Å
137Y98Very high97.8Very high20 Ų2070.7 Ų70.78%0.07839%0.39CS..  trans-118.615.1-179.857.2-93000114.1D38 F41 F45 M58 S61 S139D38-Y137 VanDerWaalsContact CA-OH 3.22Å; D38-Y137 WeakPolarHBondContact CA-OH 3.49Å; D38-Y137 WeakPolarHBondContact CB-OH 3.12Å; D38-Y137 PolarHBondContact OD1-OH 2.88Å; F41-Y137 HydrophobicContact CB-CE1 4.46Å; F41-Y137 HydrophobicContact CD2-CE2 4.25Å; F45-Y137 AromaticContact CE2-CD1 3.72Å; F45-Y137 HydrophobicContact CE2-CD1 3.72Å; F45-Y137 HydrophobicContact CE2-CE1 4.16Å; F45-Y137 HydrophobicContact CZ-CD1 4.22Å; M58-Y137 HydrophobicContact SD-CD2 4.04Å; M58-Y137 HydrophobicContact SD-CG 3.88Å; S61-Y137 WeakPolarHBondContact CA-O 3.5Å; S61-Y137 PolarHBondContact N-O 2.94Å; Y137-S139 VanDerWaalsContact C-N 3.33Å; Y137-S139 PolarHBondContact O-N 2.92Å
138T97.6Very high97.5Very high88 Ų8874.5 Ų74.554%0.5442%0.415SS..SBendtrans-85-2.9-176.663.40000114.2V60 N136V60-T138 WeakPolarHBondContact CG1-O 3.2Å; N136-T138 PolarHBondContact OD1-N 2.79Å; N136-T138 VanDerWaalsContact OD1-N 3.12Å; N136-T138 PolarHBondContact OD1-OG1 3.23Å
139S97.6Very high97.4Very high66 Ų6680.2 Ų80.246%0.46244%0.441SS..SBendtrans-147.1152.6178.956.50000111.2Y137 G141 I157Y137-S139 VanDerWaalsContact C-N 3.33Å; Y137-S139 PolarHBondContact O-N 2.92Å; S139-G141 PolarHBondContact O-N 3.48Å; S139-I157 WeakPolarHBondContact O-CB 3.29Å; S139-I157 VanDerWaalsContact O-CG2 3.27Å; S139-I157 WeakPolarHBondContact O-CG2 3.46Å
140V98.5Very high97.3Very high95 Ų9580.8 Ų80.858%0.57645%0.445SS*.SBendtrans-59.2134.7176.1173.70000110V60 I157V60-V140 HydrophobicContact CG2-CG2 3.55Å; V140-I157 WeakPolarHBondContact CA-O 3.42Å; V140-I157 WeakPolarHBondContact CG1-O 3.34Å
141G98.3Very high97.2Very high34 Ų3481.7 Ų81.735%0.35146%0.458SS..EExtended strand (participates in β ladder)trans164.2-179.6-179.300000113.1S139 E156 I157S139-G141 PolarHBondContact O-N 3.48Å; G141-E156 WeakPolarHBondContact O-CA 3.29Å; G141-I157 PolarHBondContact N-O 3.07Å; G141-I157 PolarHBondContact O-N 3.05Å
142S98.3Very high97.3Very high77 Ų7779.9 Ų79.954%0.53845%0.445SS..EExtended strand (participates in β ladder)trans-129.5136.3176.6-174.20000110.3T154 V155S142-T154 VanDerWaalsContact OG-CG2 3.28Å; S142-T154 WeakPolarHBondContact OG-CG2 3.38Å; S142-V155 CarbonylContact C-O 3.56Å; S142-V155 VanDerWaalsContact CA-O 3.31Å; S142-V155 WeakPolarHBondContact CA-O 3.45Å
143Q98.4Very high97.4Very high60 Ų6071.1 Ų71.128%0.2840%0.404SS..EExtended strand (participates in β ladder)trans-124.4128176.7-73.4158.699.300108.8N136 T154 V155N136-Q143 VanDerWaalsContact N-OE1 3.11Å; N136-Q143 PolarHBondContact O-NE2 3.14Å; Q143-T154 CarbonylContact O-C 3.55Å; Q143-T154 WeakPolarHBondContact O-CA 3.16Å; Q143-V155 PolarHBondContact N-O 2.92Å; Q143-V155 PolarHBondContact O-N 3.15Å
144R98.2Very high97.4Very high165 Ų16570.5 Ų70.562%0.62340%0.401SS*.EExtended strand (participates in β ladder)trans-100.7136.3173.1-67.4178.962.684.6-3.9109.3T152 T154R144-T152 HydrophobicContact CB-CG2 4.4Å; R144-T154 HydrophobicContact CG-CG2 4.3Å; R144-T154 PolarHBondContact NH1-OG1 3.08Å
145V97Very high97.5Very high24 Ų2464.6 Ų64.615%0.14537%0.37CS..EExtended strand (participates in β ladder)trans-129.6114.4-178.9-172.20000108.1L133 I135 I147 T152 M153L133-V145 HydrophobicContact CD1-CB 4.34Å; L133-V145 HydrophobicContact CD1-CG1 3.55Å; L133-V145 HydrophobicContact CD1-CG2 3.84Å; L133-V145 HydrophobicContact CD2-CG1 4.2Å; L133-V145 HydrophobicContact CG-CG1 4.48Å; I135-V145 HydrophobicContact CD1-CG2 3.76Å; V145-I147 HydrophobicContact CG1-CD1 3.58Å; V145-I147 HydrophobicContact CG1-CG1 4.39Å; V145-T152 WeakPolarHBondContact O-CA 3.46Å; V145-M153 PolarHBondContact N-O 2.98Å; V145-M153 PolarHBondContact O-N 3.29Å
146D97.5Very high97.5Very high117 Ų11767.4 Ų67.463%0.62638%0.383SS*.EExtended strand (participates in β ladder)trans-90.4125.7174.9-64.8-41.8000109.4T152D146-T152 VanDerWaalsContact OD1-CB 3.29Å; D146-T152 WeakPolarHBondContact OD1-CB 3.35Å; D146-T152 WeakPolarHBondContact OD1-CG2 3.33Å; D146-T152 PolarHBondContact OD1-OG1 2.93Å
147I96.9Very high97.5Very high28 Ų2863.4 Ų63.414%0.14436%0.362CS..EExtended strand (participates in β ladder)trans-113.7120.7-179.9-53.1-57.5000109.1A49 C130 V145 N149 V150 G151A49-I147 HydrophobicContact CB-CD1 4.1Å; A49-I147 HydrophobicContact CB-CG1 3.97Å; C130-I147 HydrophobicContact CB-CD1 4.38Å; V145-I147 HydrophobicContact CG1-CD1 3.58Å; V145-I147 HydrophobicContact CG1-CG1 4.39Å; I147-N149 PolarHBondContact O-N 2.74Å; I147-V150 HydrophobicContact CB-CB 4.03Å; I147-V150 HydrophobicContact CG2-CB 3.77Å; I147-V150 HydrophobicContact CG2-CG2 3.79Å; I147-V150 PolarHBondContact O-N 2.72Å; I147-G151 PolarHBondContact N-O 2.87Å; I147-G151 PolarHBondContact O-N 3.05Å
148D94.1Very high97.6Very high143 Ų14363.4 Ų63.477%0.76536%0.362SS*.THydrogen-bonded Turntrans-52128.7-179.5-72.2-16.6000112V150D148-V150 PolarHBondContact O-N 2.91Å
149N94.2Very high97.6Very high176 Ų17662.6 Ų62.694%0.94136%0.355SS*.THydrogen-bonded Turntrans60.58.2179.5-50.1-64.5000115.9I147I147-N149 PolarHBondContact O-N 2.74Å
150V96.2Very high97.6Very high66 Ų6659.6 Ų59.640%0.433%0.334SS..THydrogen-bonded Turntrans-115.4-47.7177.6-179.60000111.2A49 G52 I147 D148A49-V150 WeakPolarHBondContact O-CG1 3.33Å; G52-V150 VanDerWaalsContact CA-CG1 3.45Å; I147-V150 HydrophobicContact CB-CB 4.03Å; I147-V150 HydrophobicContact CG2-CB 3.77Å; I147-V150 HydrophobicContact CG2-CG2 3.79Å; I147-V150 PolarHBondContact O-N 2.72Å; D148-V150 PolarHBondContact O-N 2.91Å
151G95.6Very high97.6Very high41 Ų4157 Ų5742%0.42332%0.316SS..EExtended strand (participates in β ladder)trans130.7-164.2-178.200000112.5I147I147-G151 PolarHBondContact N-O 2.87Å; I147-G151 PolarHBondContact O-N 3.05Å
152T98Very high97.7Very high53 Ų5360.2 Ų60.233%0.32532%0.321SS..EExtended strand (participates in β ladder)trans-101.4133.9179.7-48.30000111.2R144 V145 D146R144-T152 HydrophobicContact CB-CG2 4.4Å; V145-T152 WeakPolarHBondContact O-CA 3.46Å; D146-T152 VanDerWaalsContact OD1-CB 3.29Å; D146-T152 WeakPolarHBondContact OD1-CB 3.35Å; D146-T152 WeakPolarHBondContact OD1-CG2 3.33Å; D146-T152 PolarHBondContact OD1-OG1 2.93Å
153M98.6Very high97.7Very high2 Ų257.5 Ų57.51%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-106.5136.5164.3-174.7176.672.400109.7A48 A49 V53 G54 I56 L133 V145 V155A48-M153 HydrophobicContact CB-SD 4.18Å; A49-M153 HydrophobicContact CB-CE 3.62Å; A49-M153 HydrophobicContact CB-SD 3.96Å; V53-M153 HydrophobicContact CB-SD 4.5Å; V53-M153 WeakPolarHBondContact O-CB 3.35Å; V53-M153 VanDerWaalsContact O-CG 3.24Å; V53-M153 WeakPolarHBondContact O-CG 3.21Å; G54-M153 CarbonylContact O-C 3.59Å; G54-M153 WeakPolarHBondContact O-CA 3.47Å; I56-M153 HydrophobicContact CD1-CE 4.18Å; I56-M153 HydrophobicContact CD1-SD 3.61Å; I56-M153 HydrophobicContact CG1-SD 4.1Å; L133-M153 HydrophobicContact CD2-CE 4.1Å; V145-M153 PolarHBondContact N-O 2.98Å; V145-M153 PolarHBondContact O-N 3.29Å; M153-V155 HydrophobicContact CE-CG2 3.79Å
154T98.8Very high97.7Very high11 Ų1154.7 Ų54.77%0.06729%0.286CS..EExtended strand (participates in β ladder)trans-109126.4170.6-56.20000109.8G54 H55 I56 S142 Q143 R144G54-T154 PolarHBondContact O-N 3.15Å; H55-T154 CarbonylContact C-O 3.57Å; H55-T154 VanDerWaalsContact CA-O 3.26Å; H55-T154 WeakPolarHBondContact CA-O 3.13Å; I56-T154 PolarHBondContact N-O 3.18Å; S142-T154 VanDerWaalsContact OG-CG2 3.28Å; S142-T154 WeakPolarHBondContact OG-CG2 3.38Å; Q143-T154 CarbonylContact O-C 3.55Å; Q143-T154 WeakPolarHBondContact O-CA 3.16Å; R144-T154 HydrophobicContact CG-CG2 4.3Å; R144-T154 PolarHBondContact NH1-OG1 3.08Å
155V98.8Very high97.7Very high0 Ų046.9 Ų46.90%026%0.257CS..EExtended strand (participates in β ladder)trans-103.4122.2170.7-170.90000109.2F45 I56 I135 S142 Q143 M153 I157F45-V155 HydrophobicContact CD1-CG2 4.35Å; F45-V155 HydrophobicContact CE1-CG1 3.97Å; I56-V155 HydrophobicContact CB-CG1 4.31Å; I56-V155 HydrophobicContact CB-CG2 4.36Å; I56-V155 HydrophobicContact CG2-CG1 4.29Å; I56-V155 CarbonylContact O-C 3.47Å; I56-V155 WeakPolarHBondContact O-CA 3.25Å; I135-V155 HydrophobicContact CD1-CB 4.49Å; I135-V155 HydrophobicContact CD1-CG2 3.84Å; I135-V155 HydrophobicContact CG1-CG2 4.14Å; I135-V155 HydrophobicContact CG2-CB 4.27Å; I135-V155 HydrophobicContact CG2-CG1 3.96Å; I135-V155 HydrophobicContact CG2-CG2 4.41Å; S142-V155 CarbonylContact C-O 3.56Å; S142-V155 VanDerWaalsContact CA-O 3.31Å; S142-V155 WeakPolarHBondContact CA-O 3.45Å; Q143-V155 PolarHBondContact N-O 2.92Å; Q143-V155 PolarHBondContact O-N 3.15Å; M153-V155 HydrophobicContact CE-CG2 3.79Å; V155-I157 HydrophobicContact CG1-CD1 3.92Å
156E98.8Very high97.8Very high64 Ų6447.8 Ų47.830%0.29926%0.261SS..EExtended strand (participates in β ladder)trans-116.1118.5179.2-172.9-173.7141.700110.1I56 K57 M58 G141I56-E156 PolarHBondContact O-N 3.34Å; K57-E156 WeakPolarHBondContact CA-O 3.39Å; K57-E156 HydrophobicContact CG-CB 4.41Å; K57-E156 IonicContact NZ-OE1 2.73Å; K57-E156 PolarHBondContact NZ-OE1 2.81Å; K57-E156 IonicContact NZ-OE2 3.18Å; K57-E156 PolarHBondContact NZ-OE2 2.74Å; M58-E156 PolarHBondContact N-O 2.97Å; G141-E156 WeakPolarHBondContact O-CA 3.29Å
157I98.8Very high97.8Very high2 Ų245.2 Ų45.21%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-98.5126.3176.7-47.8-58.1000108.1M58 V60 S139 V140 G141 V155M58-I157 HydrophobicContact CB-CD1 3.94Å; M58-I157 HydrophobicContact CG-CD1 4.09Å; M58-I157 CarbonylContact O-C 3.54Å; M58-I157 VanDerWaalsContact O-CA 3.28Å; M58-I157 WeakPolarHBondContact O-CA 2.72Å; M58-I157 HydrophobicContact SD-CD1 4.26Å; V60-I157 HydrophobicContact CB-CG2 4.45Å; V60-I157 HydrophobicContact CG2-CG2 4.07Å; S139-I157 WeakPolarHBondContact O-CB 3.29Å; S139-I157 VanDerWaalsContact O-CG2 3.27Å; S139-I157 WeakPolarHBondContact O-CG2 3.46Å; V140-I157 WeakPolarHBondContact CA-O 3.42Å; V140-I157 WeakPolarHBondContact CG1-O 3.34Å; G141-I157 PolarHBondContact N-O 3.07Å; G141-I157 PolarHBondContact O-N 3.05Å; V155-I157 HydrophobicContact CG1-CD1 3.92Å
158F98.7Very high97.9Very high19 Ų1943.9 Ų43.98%0.08324%0.236CC..EExtended strand (participates in β ladder)trans-132.9164-176.771.4-82.6000111.6K57 M58 G59 V60 M64 A72 F76 S160 Q163K57-F158 HydrophobicContact CB-CD1 4.43Å; K57-F158 HydrophobicContact CB-CE1 4.09Å; M58-F158 VanDerWaalsContact C-CE1 3.47Å; M58-F158 WeakPolarHBondContact O-CD1 3.41Å; M58-F158 WeakPolarHBondContact O-CE1 3.29Å; M58-F158 PolarHBondContact O-N 3.43Å; G59-F158 CarbonylContact C-O 3.53Å; G59-F158 WeakPolarHBondContact CA-O 3.17Å; V60-F158 PolarHBondContact N-O 3.31Å; M64-F158 HydrophobicContact CE-CE1 4.46Å; M64-F158 HydrophobicContact CE-CE2 4.49Å; M64-F158 HydrophobicContact CE-CZ 3.67Å; M64-F158 HydrophobicContact SD-CZ 4.28Å; A72-F158 HydrophobicContact CB-CZ 4.03Å; F76-F158 HydrophobicContact CE2-CD1 4.31Å; F76-F158 HydrophobicContact CE2-CD2 4.43Å; F76-F158 AromaticContact CE2-CE1 3.92Å; F76-F158 HydrophobicContact CE2-CE1 3.92Å; F76-F158 HydrophobicContact CE2-CE2 4.05Å; F76-F158 AromaticContact CE2-CZ 3.78Å; F76-F158 HydrophobicContact CE2-CZ 3.78Å; F76-F158 HydrophobicContact CZ-CD2 4.36Å; F76-F158 HydrophobicContact CZ-CE2 4.37Å; F76-F158 HydrophobicContact CZ-CG 4.45Å; F76-F158 HydrophobicContact CZ-CZ 4.48Å; F158-S160 PolarHBondContact O-N 3.45Å; F158-S160 VanDerWaalsContact O-N 3.11Å; F158-Q163 HydrophobicContact CE2-CB 4.32Å
159D98.5Very high98Very high71 Ų7140.8 Ų40.838%0.3822%0.217SC..  trans-7992.7175.9-172.6-16.4000110.3I161 K162 Q163D159-I161 VanDerWaalsContact C-N 3.31Å; D159-I161 PolarHBondContact OD1-N 2.93Å; D159-K162 HydrophobicContact CB-CB 3.98Å; D159-K162 WeakPolarHBondContact OD1-CB 3.37Å; D159-K162 PolarHBondContact OD1-N 3.25Å; D159-K162 VanDerWaalsContact OD2-CB 3.26Å; D159-K162 WeakPolarHBondContact OD2-CB 3.49Å; D159-Q163 PolarHBondContact O-N 2.92Å
160S98.4Very high98.2Very high3 Ų339.8 Ų39.82%0.02120%0.2CC..Hα-helixtrans-64.7-34.617952.70000112.6L63 F158 Y164L63-S160 PolarHBondContact O-OG 2.94Å; F158-S160 PolarHBondContact O-N 3.45Å; F158-S160 VanDerWaalsContact O-N 3.11Å; S160-Y164 WeakPolarHBondContact O-CB 3.46Å; S160-Y164 PolarHBondContact O-N 2.89Å
161I98.6Very high98.3Very high40 Ų4037 Ų3721%0.20518%0.182CC..Hα-helixtrans-65.1-52.2178-61.9161.2000108.9D159 Q163 Y164 S165 P203 F204 S207D159-I161 VanDerWaalsContact C-N 3.31Å; D159-I161 PolarHBondContact OD1-N 2.93Å; I161-Q163 PolarHBondContact O-N 3.07Å; I161-Y164 PolarHBondContact O-N 2.84Å; I161-S165 VanDerWaalsContact O-CB 3.32Å; I161-S165 WeakPolarHBondContact O-CB 3.48Å; I161-S165 PolarHBondContact O-N 3.16Å; I161-S165 PolarHBondContact O-OG 3.07Å; I161-P203 HydrophobicContact CD1-CB 3.47Å; I161-P203 VanDerWaalsContact CD1-CB 3.47Å; I161-P203 HydrophobicContact CG1-CB 4.23Å; I161-F204 HydrophobicContact CB-CE1 4.42Å; I161-F204 HydrophobicContact CG1-CD1 4.37Å; I161-F204 HydrophobicContact CG1-CD2 4.02Å; I161-F204 HydrophobicContact CG1-CE1 4.15Å; I161-F204 HydrophobicContact CG1-CE2 3.77Å; I161-F204 HydrophobicContact CG1-CG 4.31Å; I161-F204 HydrophobicContact CG1-CZ 3.83Å; I161-S207 VanDerWaalsContact CG2-CB 3.47Å
162K98.5Very high98.4Very high103 Ų10335.7 Ų35.745%0.44817%0.165SC..Hα-helixtrans-60.7-44.4177.9-176.1-178.4-174.6-56.40112.2D159 Y164 S165 D166D159-K162 HydrophobicContact CB-CB 3.98Å; D159-K162 WeakPolarHBondContact OD1-CB 3.37Å; D159-K162 PolarHBondContact OD1-N 3.25Å; D159-K162 VanDerWaalsContact OD2-CB 3.26Å; D159-K162 WeakPolarHBondContact OD2-CB 3.49Å; K162-Y164 PolarHBondContact O-N 2.82Å; K162-S165 PolarHBondContact O-N 3.37Å; K162-D166 IonicContact NZ-OD1 3.56Å; K162-D166 IonicContact NZ-OD2 2.96Å; K162-D166 PolarHBondContact NZ-OD2 3.1Å; K162-D166 VanDerWaalsContact O-CB 3.3Å; K162-D166 WeakPolarHBondContact O-CB 3.43Å; K162-D166 PolarHBondContact O-N 3.3Å
163Q98.6Very high98.4Very high20 Ų2035.5 Ų35.59%0.09316%0.162CC..Hα-helixtrans-56.3-51.4177.9179.8-174.847.900111.1L71 E75 F158 D159 I161 R167L71-Q163 HydrophobicContact CD2-CG 4.29Å; E75-Q163 WeakPolarHBondContact OE2-CG 3.43Å; E75-Q163 PolarHBondContact OE2-NE2 3.19Å; F158-Q163 HydrophobicContact CE2-CB 4.32Å; D159-Q163 PolarHBondContact O-N 2.92Å; I161-Q163 PolarHBondContact O-N 3.07Å; Q163-R167 PolarHBondContact O-N 3.35Å; Q163-R167 VanDerWaalsContact O-N 3.08Å
164Y98.8Very high98.3Very high1 Ų135.9 Ų35.90%0.00416%0.163CC..Hα-helixtrans-64.2-46.4-179.6-179.3-87000111.5P67 A68 L71 S160 I161 K162 D166 R167 M168 F204 L208 D360 I362P67-Y164 HydrophobicContact CB-CE2 4.07Å; A68-Y164 HydrophobicContact CB-CD2 4.04Å; A68-Y164 HydrophobicContact CB-CG 4.43Å; L71-Y164 HydrophobicContact CD2-CD2 4.11Å; S160-Y164 WeakPolarHBondContact O-CB 3.46Å; S160-Y164 PolarHBondContact O-N 2.89Å; I161-Y164 PolarHBondContact O-N 2.84Å; K162-Y164 PolarHBondContact O-N 2.82Å; Y164-D166 VanDerWaalsContact C-N 3.35Å; Y164-D166 PolarHBondContact O-N 3.19Å; Y164-R167 WeakPolarHBondContact O-CA 3.41Å; Y164-R167 WeakPolarHBondContact O-CB 3.39Å; Y164-R167 PolarHBondContact O-N 3.33Å; Y164-M168 HydrophobicContact CD1-CG 3.97Å; Y164-M168 HydrophobicContact CD2-CE 4.43Å; Y164-M168 HydrophobicContact CE1-CE 4.19Å; Y164-M168 HydrophobicContact CE1-CG 3.42Å; Y164-M168 VanDerWaalsContact CE1-CG 3.42Å; Y164-M168 HydrophobicContact CE1-SD 4.1Å; Y164-M168 HydrophobicContact CE2-CE 3.79Å; Y164-M168 PolarHBondContact O-N 3.43Å; Y164-F204 AromaticContact CD1-CD1 3.7Å; Y164-F204 HydrophobicContact CD1-CD1 3.7Å; Y164-F204 HydrophobicContact CD1-CE1 4.35Å; Y164-F204 HydrophobicContact CE1-CD1 4.49Å; Y164-F204 AromaticContact CG-CD1 3.89Å; Y164-F204 HydrophobicContact CG-CD1 3.89Å; Y164-F204 HydrophobicContact CG-CE1 4.06Å; Y164-L208 HydrophobicContact CD1-CD1 3.95Å; Y164-L208 HydrophobicContact CE1-CD1 3.72Å; Y164-D360 WeakPolarHBondContact CE2-OD2 3.44Å; Y164-D360 VanDerWaalsContact CZ-OD2 3.3Å; Y164-D360 PolarHBondContact OH-OD1 2.92Å; Y164-D360 PolarHBondContact OH-OD2 3.25Å; Y164-I362 HydrophobicContact CE1-CB 4.29Å; Y164-I362 HydrophobicContact CE1-CD1 4.13Å; Y164-I362 HydrophobicContact CE1-CG2 3.98Å; Y164-I362 WeakPolarHBondContact OH-CB 3.31Å
165S98.6Very high98.3Very high0 Ų044 Ų440%019%0.194CC..Hα-helixtrans-62.4-40.9-179.9-62.40000112.4I161 K162 R167 M168 E169 S207 L208 R212I161-S165 VanDerWaalsContact O-CB 3.32Å; I161-S165 WeakPolarHBondContact O-CB 3.48Å; I161-S165 PolarHBondContact O-N 3.16Å; I161-S165 PolarHBondContact O-OG 3.07Å; K162-S165 PolarHBondContact O-N 3.37Å; S165-R167 VanDerWaalsContact C-N 3.27Å; S165-R167 PolarHBondContact O-N 3.41Å; S165-M168 PolarHBondContact O-N 2.95Å; S165-E169 PolarHBondContact O-N 3.32Å; S165-S207 PolarHBondContact OG-OG 2.86Å; S165-S207 VanDerWaalsContact OG-OG 3.12Å; S165-L208 WeakPolarHBondContact OG-CG 3.4Å; S165-R212 VanDerWaalsContact CB-CZ 3.48Å
166D98.6Very high98.3Very high44 Ų4445 Ų4524%0.23520%0.199CC..Hα-helixtrans-64.4-32173.9-70.9-9.8000111.9K162 Y164 R170 R212K162-D166 IonicContact NZ-OD1 3.56Å; K162-D166 IonicContact NZ-OD2 2.96Å; K162-D166 PolarHBondContact NZ-OD2 3.1Å; K162-D166 VanDerWaalsContact O-CB 3.3Å; K162-D166 WeakPolarHBondContact O-CB 3.43Å; K162-D166 PolarHBondContact O-N 3.3Å; Y164-D166 VanDerWaalsContact C-N 3.35Å; Y164-D166 PolarHBondContact O-N 3.19Å; D166-R170 WeakPolarHBondContact O-CG 3.35Å; D166-R170 PolarHBondContact O-N 3.01Å; D166-R170 PolarHBondContact O-NE 3.46Å; D166-R212 IonicContact OD1-CZ 3.86Å; D166-R212 VanDerWaalsContact OD1-CZ 3.26Å; D166-R212 IonicContact OD1-NH1 3.36Å; D166-R212 PolarHBondContact OD1-NH1 3.33Å; D166-R212 IonicContact OD1-NH2 2.63Å; D166-R212 PolarHBondContact OD1-NH2 2.77Å
167R98.3Very high98.3Very high63 Ų6341.9 Ų41.924%0.23819%0.185CC..Hα-helixtrans-68.6-46.2172.8-177.366.5-177.2177.43.4111.3L71 Q163 Y164 S165 E169 R170 I171 Y355L71-R167 HydrophobicContact CD1-CB 4.34Å; L71-R167 HydrophobicContact CD1-CG 3.77Å; L71-R167 HydrophobicContact CD2-CB 3.67Å; L71-R167 HydrophobicContact CD2-CG 3.95Å; Q163-R167 PolarHBondContact O-N 3.35Å; Q163-R167 VanDerWaalsContact O-N 3.08Å; Y164-R167 WeakPolarHBondContact O-CA 3.41Å; Y164-R167 WeakPolarHBondContact O-CB 3.39Å; Y164-R167 PolarHBondContact O-N 3.33Å; S165-R167 VanDerWaalsContact C-N 3.27Å; S165-R167 PolarHBondContact O-N 3.41Å; R167-E169 VanDerWaalsContact C-N 3.34Å; R167-E169 PolarHBondContact O-N 3.25Å; R167-R170 PolarHBondContact O-N 3.15Å; R167-R170 VanDerWaalsContact O-N 3.13Å; R167-I171 WeakPolarHBondContact O-CG1 3.45Å; R167-I171 PolarHBondContact O-N 3Å; R167-I171 VanDerWaalsContact O-N 3.14Å; R167-Y355 HydrophobicContact CG-CD2 4.46Å
168M98.6Very high98.2Very high0 Ų046.2 Ų46.20%020%0.204CC..Hα-helixtrans-58.6-45.3177.9-69.2-55.2110.800111.8Y164 S165 R170 I171 F172 F174 L208 Y355 W363 L366Y164-M168 HydrophobicContact CD1-CG 3.97Å; Y164-M168 HydrophobicContact CD2-CE 4.43Å; Y164-M168 HydrophobicContact CE1-CE 4.19Å; Y164-M168 HydrophobicContact CE1-CG 3.42Å; Y164-M168 VanDerWaalsContact CE1-CG 3.42Å; Y164-M168 HydrophobicContact CE1-SD 4.1Å; Y164-M168 HydrophobicContact CE2-CE 3.79Å; Y164-M168 PolarHBondContact O-N 3.43Å; S165-M168 PolarHBondContact O-N 2.95Å; M168-R170 PolarHBondContact O-N 3.14Å; M168-I171 HydrophobicContact CE-CD1 3.6Å; M168-I171 HydrophobicContact CE-CG1 4.47Å; M168-I171 WeakPolarHBondContact O-CG1 3.42Å; M168-I171 PolarHBondContact O-N 3.21Å; M168-I171 VanDerWaalsContact O-N 3.15Å; M168-I171 HydrophobicContact SD-CD1 3.92Å; M168-I171 HydrophobicContact SD-CG1 4.43Å; M168-F172 WeakPolarHBondContact O-CD2 3.49Å; M168-F172 PolarHBondContact O-N 3.01Å; M168-F172 HydrophobicContact SD-CD2 4.29Å; M168-F172 HydrophobicContact SD-CE2 3.89Å; M168-F174 HydrophobicContact CB-CZ 4.39Å; M168-L208 HydrophobicContact CB-CD1 4.29Å; M168-L208 HydrophobicContact CB-CD2 3.76Å; M168-L208 HydrophobicContact CG-CD1 3.93Å; M168-L208 HydrophobicContact CG-CD2 4.32Å; M168-Y355 HydrophobicContact CE-CD2 4.45Å; M168-Y355 HydrophobicContact CE-CE2 3.56Å; M168-W363 HydrophobicContact SD-CB 4.47Å; M168-L366 HydrophobicContact CB-CD1 3.95Å; M168-L366 HydrophobicContact CG-CD1 4Å; M168-L366 HydrophobicContact SD-CD1 4.01Å
169E97.3Very high98.2Very high78 Ų7846.5 Ų46.536%0.36421%0.208SC..Hα-helixtrans-62.9-27.4177.6-174.3163.3-16400113.4S165 R167 F172 F174 R212S165-E169 PolarHBondContact O-N 3.32Å; R167-E169 VanDerWaalsContact C-N 3.34Å; R167-E169 PolarHBondContact O-N 3.25Å; E169-F172 VanDerWaalsContact O-O 3.12Å; E169-F174 HydrophobicContact CB-CD1 3.98Å; E169-F174 HydrophobicContact CB-CD2 4.28Å; E169-F174 HydrophobicContact CB-CE1 3.89Å; E169-F174 HydrophobicContact CB-CE2 4.21Å; E169-F174 HydrophobicContact CB-CG 4.19Å; E169-F174 HydrophobicContact CB-CZ 4.01Å; E169-F174 HydrophobicContact CG-CB 4.18Å; E169-F174 HydrophobicContact CG-CD1 3.68Å; E169-F174 HydrophobicContact CG-CD2 4.27Å; E169-F174 HydrophobicContact CG-CE1 4.12Å; E169-F174 HydrophobicContact CG-CG 3.78Å; E169-R212 IonicContact OE2-CZ 3.69Å; E169-R212 IonicContact OE2-NH1 2.8Å; E169-R212 PolarHBondContact OE2-NH1 3.13Å
170R97.3Very high98.2Very high155 Ų15543.1 Ų43.159%0.58519%0.19SC*.Hα-helixtrans-79.5-29.6175-75.2177.7-68.4-167.17.7113.8E75 D166 R167 M168E75-R170 IonicContact OE1-NH2 3.79Å; D166-R170 WeakPolarHBondContact O-CG 3.35Å; D166-R170 PolarHBondContact O-N 3.01Å; D166-R170 PolarHBondContact O-NE 3.46Å; R167-R170 PolarHBondContact O-N 3.15Å; R167-R170 VanDerWaalsContact O-N 3.13Å; M168-R170 PolarHBondContact O-N 3.14Å
171I97.4Very high98.2Very high8 Ų843.5 Ų43.54%0.04119%0.191CC..Hα-helixtrans-97.2-13.3-175.168.8174.9000113.5R167 M168 Y293 Y355R167-I171 WeakPolarHBondContact O-CG1 3.45Å; R167-I171 PolarHBondContact O-N 3Å; R167-I171 VanDerWaalsContact O-N 3.14Å; M168-I171 HydrophobicContact CE-CD1 3.6Å; M168-I171 HydrophobicContact CE-CG1 4.47Å; M168-I171 WeakPolarHBondContact O-CG1 3.42Å; M168-I171 PolarHBondContact O-N 3.21Å; M168-I171 VanDerWaalsContact O-N 3.15Å; M168-I171 HydrophobicContact SD-CD1 3.92Å; M168-I171 HydrophobicContact SD-CG1 4.43Å; I171-Y293 HydrophobicContact CB-CD2 4.41Å; I171-Y293 HydrophobicContact CG2-CD2 4.15Å; I171-Y293 PolarHBondContact O-N 3.22Å; I171-Y355 HydrophobicContact CD1-CD2 4.22Å; I171-Y355 HydrophobicContact CD1-CE2 4.3Å; I171-Y355 HydrophobicContact CD1-CG 4.33Å
172F98.2Very high98.1Very high12 Ų1244.8 Ų44.85%0.05320%0.204CC..SBendtrans-116.7162.1174.7-69.7-75.6000112.1M168 E169 F174 L177 W363 L366 A367M168-F172 WeakPolarHBondContact O-CD2 3.49Å; M168-F172 PolarHBondContact O-N 3.01Å; M168-F172 HydrophobicContact SD-CD2 4.29Å; M168-F172 HydrophobicContact SD-CE2 3.89Å; E169-F172 VanDerWaalsContact O-O 3.12Å; F172-F174 HydrophobicContact CB-CD2 4.02Å; F172-F174 HydrophobicContact CB-CE2 3.96Å; F172-F174 PolarHBondContact O-N 3.39Å; F172-L177 HydrophobicContact CB-CD1 4.29Å; F172-W363 AromaticContact CE2-CD1 3.57Å; F172-W363 HydrophobicContact CE2-CG 4.28Å; F172-W363 AromaticContact CE2-NE1 3.99Å; F172-W363 AromaticContact CZ-CD1 3.45Å; F172-W363 VanDerWaalsContact CZ-CD1 3.45Å; F172-W363 HydrophobicContact CZ-CD2 4.41Å; F172-W363 HydrophobicContact CZ-CG 4.01Å; F172-W363 AromaticContact CZ-NE1 3.5Å; F172-L366 HydrophobicContact CD1-CB 4.16Å; F172-L366 HydrophobicContact CD2-CB 3.86Å; F172-L366 HydrophobicContact CD2-CD1 3.75Å; F172-L366 HydrophobicContact CD2-CG 4.42Å; F172-L366 HydrophobicContact CE1-CB 3.89Å; F172-L366 HydrophobicContact CE2-CB 3.56Å; F172-L366 HydrophobicContact CE2-CD1 3.77Å; F172-L366 HydrophobicContact CE2-CG 4.33Å; F172-L366 HydrophobicContact CG-CB 4.15Å; F172-L366 HydrophobicContact CZ-CB 3.57Å; F172-A367 HydrophobicContact CE1-CB 4.17Å; F172-A367 HydrophobicContact CZ-CB 4.35Å
173D97.8Very high98Very high49 Ų4940.2 Ų40.226%0.26219%0.186SC..  trans-90.586.9176.9-177.5-13.4000109.4Y175 L176 L177 P292 R374D173-Y175 PolarHBondContact O-N 3.42Å; D173-Y175 PolarHBondContact OD1-N 3.3Å; D173-L176 HydrophobicContact CB-CB 3.93Å; D173-L176 VanDerWaalsContact CG-CB 3.41Å; D173-L176 WeakPolarHBondContact O-CB 3.39Å; D173-L176 PolarHBondContact O-N 2.84Å; D173-L176 PolarHBondContact OD1-N 2.94Å; D173-L176 WeakPolarHBondContact OD2-CB 3.36Å; D173-L177 WeakPolarHBondContact O-CG 3.25Å; D173-L177 PolarHBondContact O-N 2.98Å; D173-P292 HydrophobicContact CB-CG 3.98Å; D173-R374 IonicContact OD2-NH2 2.92Å; D173-R374 PolarHBondContact OD2-NH2 2.9Å
174F98.1Very high98Very high10 Ų1043.9 Ų43.94%0.04421%0.214CC..Hα-helixtrans-66.7-20.7-177.1-90.8-137.6000113M168 E169 F172 L177 K178 L208 R212 L213M168-F174 HydrophobicContact CB-CZ 4.39Å; E169-F174 HydrophobicContact CB-CD1 3.98Å; E169-F174 HydrophobicContact CB-CD2 4.28Å; E169-F174 HydrophobicContact CB-CE1 3.89Å; E169-F174 HydrophobicContact CB-CE2 4.21Å; E169-F174 HydrophobicContact CB-CG 4.19Å; E169-F174 HydrophobicContact CB-CZ 4.01Å; E169-F174 HydrophobicContact CG-CB 4.18Å; E169-F174 HydrophobicContact CG-CD1 3.68Å; E169-F174 HydrophobicContact CG-CD2 4.27Å; E169-F174 HydrophobicContact CG-CE1 4.12Å; E169-F174 HydrophobicContact CG-CG 3.78Å; F172-F174 HydrophobicContact CB-CD2 4.02Å; F172-F174 HydrophobicContact CB-CE2 3.96Å; F172-F174 PolarHBondContact O-N 3.39Å; F174-L177 HydrophobicContact CD2-CD1 4.18Å; F174-L177 HydrophobicContact CE2-CD1 4.28Å; F174-K178 VanDerWaalsContact O-CB 3.27Å; F174-K178 WeakPolarHBondContact O-CB 3.29Å; F174-K178 WeakPolarHBondContact O-CD 3.25Å; F174-K178 WeakPolarHBondContact O-CG 3.35Å; F174-K178 PolarHBondContact O-N 3.47Å; F174-L208 HydrophobicContact CE1-CD2 4.06Å; F174-L208 HydrophobicContact CZ-CD2 3.62Å; F174-R212 HydrophobicContact CD1-CB 4.27Å; F174-R212 HydrophobicContact CE1-CB 3.86Å; F174-L213 HydrophobicContact CB-CD2 4.33Å; F174-L213 HydrophobicContact CD1-CD2 3.6Å; F174-L213 HydrophobicContact CD1-CG 4.25Å; F174-L213 HydrophobicContact CD2-CD2 4.27Å; F174-L213 HydrophobicContact CE1-CD2 3.85Å; F174-L213 HydrophobicContact CE1-CG 4.03Å; F174-L213 HydrophobicContact CE2-CD2 4.47Å; F174-L213 HydrophobicContact CG-CD2 3.81Å; F174-L213 HydrophobicContact CZ-CD1 4.45Å; F174-L213 HydrophobicContact CZ-CD2 4.28Å; F174-L213 HydrophobicContact CZ-CG 4.4Å
175Y97.9Very high97.8Very high182 Ų18245.5 Ų45.571%0.71422%0.222SC*.Hα-helixtrans-70-45.2172.4-178.7-92000111.2D173 S179D173-Y175 PolarHBondContact O-N 3.42Å; D173-Y175 PolarHBondContact OD1-N 3.3Å; Y175-S179 WeakPolarHBondContact O-CB 3.43Å; Y175-S179 PolarHBondContact O-N 3.09Å; Y175-S179 PolarHBondContact O-OG 2.7Å
176L98.3Very high97.6Very high20 Ų2048.3 Ų48.311%0.10524%0.239CC..Hα-helixtrans-59.4-47.9172.3176.976.8000111.2D173 S179 L180 I185 T370 A373 R374D173-L176 HydrophobicContact CB-CB 3.93Å; D173-L176 VanDerWaalsContact CG-CB 3.41Å; D173-L176 WeakPolarHBondContact O-CB 3.39Å; D173-L176 PolarHBondContact O-N 2.84Å; D173-L176 PolarHBondContact OD1-N 2.94Å; D173-L176 WeakPolarHBondContact OD2-CB 3.36Å; L176-S179 WeakPolarHBondContact O-CB 3.35Å; L176-S179 PolarHBondContact O-N 2.78Å; L176-S179 VanDerWaalsContact O-N 3.16Å; L176-L180 PolarHBondContact O-N 2.82Å; L176-I185 HydrophobicContact CD1-CD1 3.7Å; L176-I185 HydrophobicContact CG-CD1 4.36Å; L176-T370 HydrophobicContact CD2-CG2 4.24Å; L176-A373 HydrophobicContact CD1-CB 4Å; L176-A373 HydrophobicContact CD2-CB 3.83Å; L176-A373 HydrophobicContact CG-CB 3.74Å; L176-R374 HydrophobicContact CD2-CG 3.99Å
177L98.4Very high97.4Very high0 Ų049.9 Ų49.90%027%0.266CS..Hα-helixtrans-64.6-44.3-178.1-64.4-179.2000111.5F172 D173 F174 S179 L180 F181 L213 L366 L369F172-L177 HydrophobicContact CB-CD1 4.29Å; D173-L177 WeakPolarHBondContact O-CG 3.25Å; D173-L177 PolarHBondContact O-N 2.98Å; F174-L177 HydrophobicContact CD2-CD1 4.18Å; F174-L177 HydrophobicContact CE2-CD1 4.28Å; L177-S179 PolarHBondContact O-N 3.43Å; L177-L180 WeakPolarHBondContact O-CA 3.25Å; L177-L180 VanDerWaalsContact O-CB 3.28Å; L177-L180 WeakPolarHBondContact O-CB 3.46Å; L177-L180 PolarHBondContact O-N 3.34Å; L177-F181 VanDerWaalsContact O-CD2 3.22Å; L177-F181 WeakPolarHBondContact O-CD2 3.41Å; L177-F181 PolarHBondContact O-N 3.37Å; L177-L213 HydrophobicContact CB-CD2 3.62Å; L177-L213 HydrophobicContact CD1-CD1 4.32Å; L177-L213 HydrophobicContact CD1-CD2 4.29Å; L177-L366 HydrophobicContact CD1-CD2 3.88Å; L177-L369 HydrophobicContact CD2-CB 3.77Å
178K98.4Very high97.2Very high93 Ų9352 Ų5240%0.40428%0.277SS..Hα-helixtrans-56.6-39.3171.7-77.9170.7175.6175.40112.4F174 L180 F181 S182 R212 L213F174-K178 VanDerWaalsContact O-CB 3.27Å; F174-K178 WeakPolarHBondContact O-CB 3.29Å; F174-K178 WeakPolarHBondContact O-CD 3.25Å; F174-K178 WeakPolarHBondContact O-CG 3.35Å; F174-K178 PolarHBondContact O-N 3.47Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 3.31Å; K178-F181 PolarHBondContact O-N 3.26Å; K178-S182 WeakPolarHBondContact O-CB 3.3Å; K178-S182 PolarHBondContact O-N 3.24Å; K178-S182 PolarHBondContact O-OG 2.81Å; K178-R212 WeakPolarHBondContact CE-O 3.47Å; K178-R212 PolarHBondContact NZ-O 3.02Å; K178-L213 HydrophobicContact CG-CD2 4.29Å
179S98.2Very high97.1Very high24 Ų2455 Ų5517%0.16830%0.297CS..Hα-helixtrans-67.9-27.6176.4-57.60000113Y175 L176 L177 S182 S184 I185Y175-S179 WeakPolarHBondContact O-CB 3.43Å; Y175-S179 PolarHBondContact O-N 3.09Å; Y175-S179 PolarHBondContact O-OG 2.7Å; L176-S179 WeakPolarHBondContact O-CB 3.35Å; L176-S179 PolarHBondContact O-N 2.78Å; L176-S179 VanDerWaalsContact O-N 3.16Å; L177-S179 PolarHBondContact O-N 3.43Å; S179-S182 PolarHBondContact O-OG 2.91Å; S179-S184 WeakPolarHBondContact O-CB 3.41Å; S179-S184 PolarHBondContact O-N 3.29Å; S179-I185 PolarHBondContact O-N 2.84Å; S179-I185 VanDerWaalsContact O-N 3.15Å
180L98.2Very high97.1Very high0 Ų051.9 Ų51.90%028%0.282CS..Hα-helixtrans-69.6-54.3170.4-179.365000110.1L176 L177 K178 S182 G183 I185 T186 F190 L369 V372 A373L176-L180 PolarHBondContact O-N 2.82Å; L177-L180 WeakPolarHBondContact O-CA 3.25Å; L177-L180 VanDerWaalsContact O-CB 3.28Å; L177-L180 WeakPolarHBondContact O-CB 3.46Å; L177-L180 PolarHBondContact O-N 3.34Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 3.31Å; L180-S182 PolarHBondContact O-N 3.3Å; L180-G183 PolarHBondContact O-N 2.67Å; L180-I185 HydrophobicContact CB-CD1 4.06Å; L180-I185 HydrophobicContact CD1-CB 4.42Å; L180-I185 HydrophobicContact CD1-CG2 4.49Å; L180-T186 HydrophobicContact CD1-CG2 3.91Å; L180-F190 HydrophobicContact CD1-CB 3.97Å; L180-F190 HydrophobicContact CD1-CD2 3.74Å; L180-F190 HydrophobicContact CD1-CE2 4.4Å; L180-F190 HydrophobicContact CD1-CG 3.87Å; L180-F190 HydrophobicContact CD2-CD1 4.05Å; L180-F190 HydrophobicContact CD2-CD2 4.45Å; L180-F190 HydrophobicContact CD2-CE1 4.38Å; L180-F190 HydrophobicContact CD2-CG 4.09Å; L180-F190 HydrophobicContact CG-CB 3.76Å; L180-F190 HydrophobicContact CG-CD1 4.19Å; L180-F190 HydrophobicContact CG-CD2 4.16Å; L180-F190 HydrophobicContact CG-CG 3.77Å; L180-F190 VanDerWaalsContact O-CB 3.31Å; L180-F190 WeakPolarHBondContact O-CB 3.46Å; L180-L369 HydrophobicContact CD2-CB 4.28Å; L180-L369 HydrophobicContact CD2-CD2 4Å; L180-V372 HydrophobicContact CD1-CG1 4.25Å; L180-V372 HydrophobicContact CD2-CG1 4.24Å; L180-A373 HydrophobicContact CB-CB 4.2Å; L180-A373 HydrophobicContact CD1-CB 4.4Å; L180-A373 HydrophobicContact CD2-CB 4.12Å; L180-A373 HydrophobicContact CG-CB 4.46Å
181F97.9Very high97.1Very high11 Ų1147.9 Ų47.95%0.04827%0.266CS..Hα-helixtrans-60.1-41-177.9-80.4-74.4000113.1L177 K178 G183 P189 F190 V192 F209 L213 A215 L369L177-F181 VanDerWaalsContact O-CD2 3.22Å; L177-F181 WeakPolarHBondContact O-CD2 3.41Å; L177-F181 PolarHBondContact O-N 3.37Å; K178-F181 PolarHBondContact O-N 3.26Å; F181-G183 PolarHBondContact O-N 3.25Å; F181-P189 VanDerWaalsContact O-CA 3.29Å; F181-P189 WeakPolarHBondContact O-CA 3.46Å; F181-F190 WeakPolarHBondContact CD1-O 3.46Å; F181-F190 PolarHBondContact O-N 2.75Å; F181-V192 HydrophobicContact CE1-CB 4.25Å; F181-V192 HydrophobicContact CE1-CG1 3.62Å; F181-V192 HydrophobicContact CE1-CG2 3.64Å; F181-V192 HydrophobicContact CZ-CG1 3.8Å; F181-V192 HydrophobicContact CZ-CG2 4.05Å; F181-F209 HydrophobicContact CZ-CD1 4.23Å; F181-L213 HydrophobicContact CD2-CB 3.87Å; F181-L213 HydrophobicContact CE2-CB 3.9Å; F181-L213 HydrophobicContact CE2-CD1 3.95Å; F181-L213 HydrophobicContact CE2-CG 4.43Å; F181-A215 HydrophobicContact CD1-CB 4.04Å; F181-A215 HydrophobicContact CE1-CB 3.75Å; F181-A215 HydrophobicContact CZ-CB 4.43Å; F181-L369 HydrophobicContact CE2-CD1 4.04Å; F181-L369 HydrophobicContact CZ-CD1 3.84Å
182S97.1Very high97.1Very high68 Ų6847.5 Ų47.548%0.47627%0.265SS..THydrogen-bonded Turntrans-66.5-16.817670.80000113.7K178 S179 L180 S184K178-S182 WeakPolarHBondContact O-CB 3.3Å; K178-S182 PolarHBondContact O-N 3.24Å; K178-S182 PolarHBondContact O-OG 2.81Å; S179-S182 PolarHBondContact O-OG 2.91Å; L180-S182 PolarHBondContact O-N 3.3Å; S182-S184 PolarHBondContact OG-N 3.41Å; S182-S184 PolarHBondContact OG-OG 2.82Å
183G96.5Very high97.1Very high7 Ų747 Ų477%0.07226%0.262CS..THydrogen-bonded Turntrans83.37.1-173.500000114.8L180 F181 I185 T186 G187 K188L180-G183 PolarHBondContact O-N 2.67Å; F181-G183 PolarHBondContact O-N 3.25Å; G183-I185 PolarHBondContact O-N 2.89Å; G183-T186 PolarHBondContact O-N 3.17Å; G183-G187 VanDerWaalsContact O-CA 3.31Å; G183-G187 WeakPolarHBondContact O-CA 3.15Å; G183-G187 PolarHBondContact O-N 2.97Å; G183-K188 WeakPolarHBondContact CA-O 3.27Å
184S97.3Very high97Very high97 Ų9744.6 Ų44.668%0.67825%0.25SC*.THydrogen-bonded Turntrans-61.8-24.8175.5-59.50000112.9S179 S182S179-S184 WeakPolarHBondContact O-CB 3.41Å; S179-S184 PolarHBondContact O-N 3.29Å; S182-S184 PolarHBondContact OG-N 3.41Å; S182-S184 PolarHBondContact OG-OG 2.82Å
185I96Very high96.9Very high35 Ų3544.7 Ų44.718%0.17925%0.25CS..THydrogen-bonded Turntrans-85.8-40.8177-64.6179.3000112.5L176 S179 L180 G183 A373 K376L176-I185 HydrophobicContact CD1-CD1 3.7Å; L176-I185 HydrophobicContact CG-CD1 4.36Å; S179-I185 PolarHBondContact O-N 2.84Å; S179-I185 VanDerWaalsContact O-N 3.15Å; L180-I185 HydrophobicContact CB-CD1 4.06Å; L180-I185 HydrophobicContact CD1-CB 4.42Å; L180-I185 HydrophobicContact CD1-CG2 4.49Å; G183-I185 PolarHBondContact O-N 2.89Å; I185-A373 HydrophobicContact CD1-CB 3.81Å; I185-K376 HydrophobicContact CG2-CD 4.33Å; I185-K376 HydrophobicContact CG2-CG 3.9Å
186T93.4Very high96.7Very high58 Ų5836 Ų3636%0.35622%0.216SC..THydrogen-bonded Turntrans-106.3-10.1-167.245.40000113.8L180 G183 K188 F190L180-T186 HydrophobicContact CD1-CG2 3.91Å; G183-T186 PolarHBondContact O-N 3.17Å; T186-K188 VanDerWaalsContact C-N 3.27Å; T186-K188 PolarHBondContact O-N 2.85Å; T186-K188 PolarHBondContact OG1-O 2.87Å; T186-F190 HydrophobicContact CG2-CD2 4.38Å
187G94.6Very high96.4Very high77 Ų7736 Ų3679%0.79422%0.216SC*.SBendtrans83.4-7.6-175.800000114.9G183G183-G187 VanDerWaalsContact O-CA 3.31Å; G183-G187 WeakPolarHBondContact O-CA 3.15Å; G183-G187 PolarHBondContact O-N 2.97Å
188K94.7Very high96.3Very high108 Ų10837.4 Ų37.447%0.4722%0.223SC..SBendtrans-142.3148.6174.361168.7-172.9157.40109.2G183 T186 F190 D253G183-K188 WeakPolarHBondContact CA-O 3.27Å; T186-K188 VanDerWaalsContact C-N 3.27Å; T186-K188 PolarHBondContact O-N 2.85Å; T186-K188 PolarHBondContact OG1-O 2.87Å; K188-F190 PolarHBondContact O-N 2.76Å; K188-D253 IonicContact NZ-OD1 2.74Å; K188-D253 PolarHBondContact NZ-OD1 2.73Å
189P95.1Very high96.1Very high64 Ų6433 Ų3342%0.41620%0.204SC..PPolyproline II helixtrans-50.8130.1174.6-27.735.7000111.4F181 F216F181-P189 VanDerWaalsContact O-CA 3.29Å; F181-P189 WeakPolarHBondContact O-CA 3.46Å; P189-F216 HydrophobicContact CB-CE2 4.46Å
190F97.7Very high96.1Very high11 Ų1131.9 Ų31.95%0.04820%0.196CC..PPolyproline II helixtrans-81.2118.8176.9-166.5-88000109L180 F181 T186 K188 V192 D253 L254 L369 V372L180-F190 HydrophobicContact CD1-CB 3.97Å; L180-F190 HydrophobicContact CD1-CD2 3.74Å; L180-F190 HydrophobicContact CD1-CE2 4.4Å; L180-F190 HydrophobicContact CD1-CG 3.87Å; L180-F190 HydrophobicContact CD2-CD1 4.05Å; L180-F190 HydrophobicContact CD2-CD2 4.45Å; L180-F190 HydrophobicContact CD2-CE1 4.38Å; L180-F190 HydrophobicContact CD2-CG 4.09Å; L180-F190 HydrophobicContact CG-CB 3.76Å; L180-F190 HydrophobicContact CG-CD1 4.19Å; L180-F190 HydrophobicContact CG-CD2 4.16Å; L180-F190 HydrophobicContact CG-CG 3.77Å; L180-F190 VanDerWaalsContact O-CB 3.31Å; L180-F190 WeakPolarHBondContact O-CB 3.46Å; F181-F190 WeakPolarHBondContact CD1-O 3.46Å; F181-F190 PolarHBondContact O-N 2.75Å; T186-F190 HydrophobicContact CG2-CD2 4.38Å; K188-F190 PolarHBondContact O-N 2.76Å; F190-V192 HydrophobicContact CD1-CG1 3.95Å; F190-V192 HydrophobicContact CE1-CG1 3.94Å; F190-D253 WeakPolarHBondContact CA-OD2 3.46Å; F190-D253 HydrophobicContact CD1-CB 4.19Å; F190-D253 HydrophobicContact CD2-CB 3.76Å; F190-D253 HydrophobicContact CE1-CB 3.82Å; F190-D253 HydrophobicContact CE2-CB 3.35Å; F190-D253 HydrophobicContact CG-CB 4.17Å; F190-D253 HydrophobicContact CZ-CB 3.37Å; F190-L254 HydrophobicContact CE1-CB 3.9Å; F190-L254 HydrophobicContact CZ-CB 4.12Å; F190-L369 HydrophobicContact CD1-CD2 4.1Å; F190-L369 HydrophobicContact CE1-CD2 3.63Å; F190-V372 HydrophobicContact CD2-CG1 4.38Å; F190-V372 HydrophobicContact CE2-CG1 3.56Å; F190-V372 HydrophobicContact CZ-CG1 3.75Å
191R97.5Very high96.1Very high71 Ų7131.9 Ų31.927%0.26820%0.196SC..PPolyproline II helixtrans-96.8122.7-174.5-66.4-69.1-64-98.80.3109.7D219 H252 D253 L254R191-D219 IonicContact CZ-OD1 3.29Å; R191-D219 IonicContact CZ-OD2 2.78Å; R191-D219 IonicContact NE-OD1 2.73Å; R191-D219 IonicContact NE-OD2 2.96Å; R191-D219 PolarHBondContact NE-OD2 3.28Å; R191-D219 VanDerWaalsContact NH2-CG 3.26Å; R191-D219 IonicContact NH2-OD1 3.74Å; R191-D219 PolarHBondContact NH2-OD1 3.26Å; R191-D219 IonicContact NH2-OD2 3.92Å; R191-D219 PolarHBondContact NH2-OD2 2.64Å; R191-H252 HydrophobicContact CB-CB 4.39Å; R191-D253 PolarHBondContact N-OD2 3.04Å; R191-D253 PolarHBondContact O-N 3.49Å; R191-L254 PolarHBondContact O-N 3.43Å
192V98Very high96Very high1 Ų131.3 Ų31.31%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-110140.1170.9-57.30000109.3F181 F190 I194 A215 D219 M220 L254 L369F181-V192 HydrophobicContact CE1-CB 4.25Å; F181-V192 HydrophobicContact CE1-CG1 3.62Å; F181-V192 HydrophobicContact CE1-CG2 3.64Å; F181-V192 HydrophobicContact CZ-CG1 3.8Å; F181-V192 HydrophobicContact CZ-CG2 4.05Å; F190-V192 HydrophobicContact CD1-CG1 3.95Å; F190-V192 HydrophobicContact CE1-CG1 3.94Å; V192-I194 HydrophobicContact CB-CG1 4.39Å; V192-I194 HydrophobicContact CG2-CD1 4.01Å; V192-I194 HydrophobicContact CG2-CG1 4.16Å; V192-A215 HydrophobicContact CG2-CB 4.12Å; V192-D219 WeakPolarHBondContact O-CB 3.45Å; V192-M220 HydrophobicContact CG2-CE 3.73Å; V192-L254 CarbonylContact C-O 3.52Å; V192-L254 VanDerWaalsContact CA-O 3.22Å; V192-L254 WeakPolarHBondContact CA-O 3.42Å; V192-L254 HydrophobicContact CG1-CB 4.42Å; V192-L254 HydrophobicContact CG1-CD2 4.5Å; V192-L369 HydrophobicContact CG1-CD1 4.5Å; V192-L369 HydrophobicContact CG1-CD2 3.78Å
193L97.4Very high96.1Very high0 Ų029.5 Ų29.50%018%0.18CC..EExtended strand (participates in β ladder)trans-114.3115.9171.2-175.863.7000108.2D219 R221 L243 E246 M247 H252 L254 G255 A256L193-D219 WeakPolarHBondContact CA-O 3.43Å; L193-D219 HydrophobicContact CD1-CB 4.29Å; L193-D219 WeakPolarHBondContact CD1-O 3.17Å; L193-R221 HydrophobicContact CD1-CG 3.79Å; L193-L243 HydrophobicContact CB-CD1 4.45Å; L193-L243 HydrophobicContact CD2-CD1 4.09Å; L193-L243 HydrophobicContact CD2-CD2 4.49Å; L193-L243 HydrophobicContact CD2-CG 3.75Å; L193-L243 HydrophobicContact CG-CD1 3.73Å; L193-L243 HydrophobicContact CG-CG 3.99Å; L193-E246 HydrophobicContact CD2-CB 3.73Å; L193-E246 HydrophobicContact CD2-CG 3.6Å; L193-M247 HydrophobicContact CB-SD 3.9Å; L193-M247 HydrophobicContact CD2-CG 4.23Å; L193-M247 HydrophobicContact CD2-SD 4.03Å; L193-H252 HydrophobicContact CB-CB 4.23Å; L193-L254 PolarHBondContact N-O 2.8Å; L193-G255 CarbonylContact O-C 3.52Å; L193-G255 VanDerWaalsContact O-CA 3.24Å; L193-G255 WeakPolarHBondContact O-CA 3.18Å; L193-A256 PolarHBondContact O-N 2.95Å
194I96.4Very high96.2Very high0 Ų029.2 Ų29.20%018%0.177CC..EExtended strand (participates in β ladder)trans-124122.6-174.4-56.9179.5000109.3V192 V205 F209 D219 M220 R221 A256 F258 V365V192-I194 HydrophobicContact CB-CG1 4.39Å; V192-I194 HydrophobicContact CG2-CD1 4.01Å; V192-I194 HydrophobicContact CG2-CG1 4.16Å; I194-V205 HydrophobicContact CB-CG1 4.16Å; I194-V205 HydrophobicContact CD1-CG1 4.44Å; I194-V205 HydrophobicContact CG2-CG1 3.81Å; I194-V205 HydrophobicContact CG2-CG2 3.97Å; I194-F209 HydrophobicContact CD1-CB 4.32Å; I194-F209 HydrophobicContact CD1-CD1 3.57Å; I194-F209 HydrophobicContact CD1-CD2 3.64Å; I194-F209 HydrophobicContact CD1-CE1 3.65Å; I194-F209 HydrophobicContact CD1-CE2 3.73Å; I194-F209 HydrophobicContact CD1-CG 3.56Å; I194-F209 HydrophobicContact CD1-CZ 3.74Å; I194-D219 PolarHBondContact N-O 3.38Å; I194-M220 HydrophobicContact CB-CE 4.37Å; I194-M220 HydrophobicContact CB-SD 4.08Å; I194-M220 HydrophobicContact CD1-CE 4.38Å; I194-M220 HydrophobicContact CD1-SD 4.2Å; I194-M220 HydrophobicContact CG1-CE 4.29Å; I194-M220 HydrophobicContact CG1-SD 4.38Å; I194-M220 CarbonylContact O-C 3.53Å; I194-R221 PolarHBondContact O-N 2.91Å; I194-A256 CarbonylContact C-O 3.55Å; I194-A256 WeakPolarHBondContact CA-O 3.12Å; I194-A256 HydrophobicContact CG1-CB 4.41Å; I194-F258 HydrophobicContact CG2-CD2 4.01Å; I194-F258 HydrophobicContact CG2-CE2 3.39Å; I194-F258 HydrophobicContact CG2-CZ 3.81Å; I194-V365 HydrophobicContact CD1-CG1 4.43Å
195D94.9Very high96.2Very high11 Ų1124.6 Ų24.66%0.05914%0.144CC..EExtended strand (participates in β ladder)trans-105.7116.1176.8-165.7-20.2000110.7M197 R221 N222 L243 A256 V257 F258D195-M197 VanDerWaalsContact C-N 3.27Å; D195-M197 WeakPolarHBondContact OD1-CA 3.29Å; D195-M197 PolarHBondContact OD1-N 2.74Å; D195-R221 HydrophobicContact CB-CB 4.14Å; D195-N222 VanDerWaalsContact CG-ND2 3.31Å; D195-N222 VanDerWaalsContact OD1-CB 3.31Å; D195-N222 WeakPolarHBondContact OD1-CB 3.46Å; D195-N222 PolarHBondContact OD1-ND2 3.19Å; D195-N222 PolarHBondContact OD2-ND2 3.12Å; D195-N222 VanDerWaalsContact OD2-ND2 3.09Å; D195-L243 HydrophobicContact CB-CB 4.47Å; D195-L243 HydrophobicContact CB-CD1 3.49Å; D195-L243 VanDerWaalsContact CB-CD1 3.49Å; D195-A256 PolarHBondContact N-O 3.12Å; D195-V257 HydrophobicContact CB-CG1 4.42Å; D195-V257 HydrophobicContact CB-CG2 4.47Å; D195-F258 PolarHBondContact O-N 2.92Å
196G94.3Very high96.3Very high0 Ų025.3 Ų25.30%015%0.148CC..  trans-80.6-4.1175.700000114.1H198 G199 R221G196-H198 PolarHBondContact O-N 3.19Å; G196-H198 VanDerWaalsContact O-N 3.1Å; G196-G199 WeakPolarHBondContact O-CA 3.16Å; G196-G199 PolarHBondContact O-N 2.82Å; G196-R221 PolarHBondContact N-O 3.46Å
197M92.6Very high96.6Very high21 Ų2123.4 Ų23.410%0.10314%0.137CC..THydrogen-bonded Turntrans50.432.5-178.2-59.7-165.278.200114.2D195 G199 I233 P234 D235 V257 F258D195-M197 VanDerWaalsContact C-N 3.27Å; D195-M197 WeakPolarHBondContact OD1-CA 3.29Å; D195-M197 PolarHBondContact OD1-N 2.74Å; M197-G199 PolarHBondContact O-N 2.98Å; M197-I233 WeakPolarHBondContact CE-O 3.22Å; M197-P234 HydrophobicContact CB-CB 4.37Å; M197-D235 WeakPolarHBondContact CE-O 3.32Å; M197-V257 HydrophobicContact CG-CG1 3.65Å; M197-V257 HydrophobicContact SD-CG1 3.4Å; M197-V257 WeakPolarHBondContact SD-CG1 3.44Å; M197-F258 VanDerWaalsContact CG-O 3.32Å; M197-F258 WeakPolarHBondContact CG-O 3.42Å; M197-F258 VanDerWaalsContact SD-O 3.4Å
198H95.3Very high96.7Very high29 Ų2919.7 Ų19.713%0.13410%0.099CC..THydrogen-bonded Turntrans55.819.5-172.5-56.7-68.1000114G196 N222 D224 P225 L226 F229G196-H198 PolarHBondContact O-N 3.19Å; G196-H198 VanDerWaalsContact O-N 3.1Å; H198-N222 VanDerWaalsContact CA-O 3.26Å; H198-N222 WeakPolarHBondContact CA-O 3.01Å; H198-N222 VanDerWaalsContact CE1-CB 3.49Å; H198-N222 WeakPolarHBondContact CE1-CB 3.22Å; H198-N222 PolarHBondContact CE1-OD1 2.88Å; H198-N222 PolarHBondContact N-O 3.02Å; H198-N222 PolarHBondContact NE2-OD1 3.02Å; H198-D224 WeakPolarHBondContact CA-O 3.36Å; H198-D224 PolarHBondContact ND1-O 2.94Å; H198-P225 CarbonylContact O-C 3.5Å; H198-P225 VanDerWaalsContact O-CA 3.27Å; H198-P225 WeakPolarHBondContact O-CA 3.15Å; H198-L226 HydrophobicContact CB-CB 4.06Å; H198-L226 HydrophobicContact CB-CD1 4.11Å; H198-L226 HydrophobicContact CB-CG 4.04Å; H198-L226 PolarHBondContact O-N 3.3Å; H198-F229 HydrophobicContact CB-CB 4.43Å; H198-F229 PolarHBondContact CD2-O 2.96Å; H198-F229 WeakPolarHBondContact O-CD1 3.33Å
199G95.4Very high96.9Very high0 Ų014.6 Ų14.60%08%0.077CC..SBendtrans-86.1-176.7174.300000112.3G196 M197 T201 G202G196-G199 WeakPolarHBondContact O-CA 3.16Å; G196-G199 PolarHBondContact O-N 2.82Å; M197-G199 PolarHBondContact O-N 2.98Å; G199-T201 PolarHBondContact O-N 3.44Å; G199-G202 PolarHBondContact O-N 2.89Å
200V98.1Very high97Very high0 Ų014.7 Ų14.70%07%0.072CC..THydrogen-bonded Turntrans-72.3-13.6-17476.80000113.8D32 L63 T65 G202 P203 F204 A260D32-V200 HydrophobicContact CB-CB 4.21Å; D32-V200 HydrophobicContact CB-CG1 4.16Å; L63-V200 HydrophobicContact CB-CG2 3.88Å; L63-V200 HydrophobicContact CD2-CG2 4.08Å; T65-V200 HydrophobicContact CG2-CG1 3.63Å; V200-G202 VanDerWaalsContact C-N 3.27Å; V200-G202 PolarHBondContact O-N 3.32Å; V200-P203 WeakPolarHBondContact O-CD 3.1Å; V200-F204 HydrophobicContact CG2-CE2 4.46Å; V200-F204 WeakPolarHBondContact O-CD2 3.42Å; V200-A260 WeakPolarHBondContact CG1-O 3.47Å; V200-A260 PolarHBondContact N-O 3.25Å
201T97.3Very high97.1Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-67.8-26.2177.954.10000112.8T65 G199 F204 V205 F258T65-T201 HydrophobicContact CG2-CG2 3.97Å; G199-T201 PolarHBondContact O-N 3.44Å; T201-F204 CarbonylContact O-C 3.54Å; T201-F204 WeakPolarHBondContact O-CA 3.49Å; T201-F204 WeakPolarHBondContact O-CB 3.28Å; T201-F204 PolarHBondContact O-N 2.89Å; T201-V205 WeakPolarHBondContact O-CG2 3.47Å; T201-V205 PolarHBondContact O-N 3.23Å; T201-F258 HydrophobicContact CG2-CB 4.06Å; T201-F258 HydrophobicContact CG2-CD2 4.21Å; T201-F258 HydrophobicContact CG2-CG 4.45Å
202G97.2Very high97.1Very high0 Ų018.5 Ų18.50%09%0.094CC..Hα-helixtrans-51.7-52.5-172.500000115.3G199 V200 F204 V205 L206 C223G199-G202 PolarHBondContact O-N 2.89Å; V200-G202 VanDerWaalsContact C-N 3.27Å; V200-G202 PolarHBondContact O-N 3.32Å; G202-F204 VanDerWaalsContact C-N 3.28Å; G202-F204 PolarHBondContact O-N 3.31Å; G202-V205 WeakPolarHBondContact O-CB 3.33Å; G202-V205 PolarHBondContact O-N 2.93Å; G202-V205 VanDerWaalsContact O-N 3.15Å; G202-L206 PolarHBondContact O-N 3.06Å; G202-C223 CarbonylContact C-O 3.59Å; G202-C223 VanDerWaalsContact C-O 3.29Å; G202-C223 WeakPolarHBondContact CA-O 3.31Å
203P98.1Very high97.1Very high30 Ų3018.7 Ų18.720%0.19510%0.095CC..Hα-helixtrans-62.2-32.5175.3-26.636.3000114I161 V200 S207 C223 P225I161-P203 HydrophobicContact CD1-CB 3.47Å; I161-P203 VanDerWaalsContact CD1-CB 3.47Å; I161-P203 HydrophobicContact CG1-CB 4.23Å; V200-P203 WeakPolarHBondContact O-CD 3.1Å; P203-S207 WeakPolarHBondContact O-CB 3.21Å; P203-S207 PolarHBondContact O-N 3.11Å; P203-C223 WeakPolarHBondContact CD-O 3.38Å; P203-P225 HydrophobicContact CG-CG 3.7Å
204F98.5Very high97.1Very high1 Ų121.2 Ų21.20%0.00412%0.121CC..Hα-helixtrans-70.4-38.4175.6-64.4-106.2000111T65 A68 I161 Y164 V200 T201 G202 S207 L208 I362T65-F204 HydrophobicContact CG2-CD1 4.46Å; T65-F204 HydrophobicContact CG2-CD2 3.76Å; T65-F204 HydrophobicContact CG2-CE1 4.48Å; T65-F204 HydrophobicContact CG2-CE2 3.8Å; T65-F204 HydrophobicContact CG2-CG 4.12Å; T65-F204 HydrophobicContact CG2-CZ 4.17Å; A68-F204 HydrophobicContact CB-CE1 3.8Å; A68-F204 HydrophobicContact CB-CZ 4.07Å; I161-F204 HydrophobicContact CB-CE1 4.42Å; I161-F204 HydrophobicContact CG1-CD1 4.37Å; I161-F204 HydrophobicContact CG1-CD2 4.02Å; I161-F204 HydrophobicContact CG1-CE1 4.15Å; I161-F204 HydrophobicContact CG1-CE2 3.77Å; I161-F204 HydrophobicContact CG1-CG 4.31Å; I161-F204 HydrophobicContact CG1-CZ 3.83Å; Y164-F204 AromaticContact CD1-CD1 3.7Å; Y164-F204 HydrophobicContact CD1-CD1 3.7Å; Y164-F204 HydrophobicContact CD1-CE1 4.35Å; Y164-F204 HydrophobicContact CE1-CD1 4.49Å; Y164-F204 AromaticContact CG-CD1 3.89Å; Y164-F204 HydrophobicContact CG-CD1 3.89Å; Y164-F204 HydrophobicContact CG-CE1 4.06Å; V200-F204 HydrophobicContact CG2-CE2 4.46Å; V200-F204 WeakPolarHBondContact O-CD2 3.42Å; T201-F204 CarbonylContact O-C 3.54Å; T201-F204 WeakPolarHBondContact O-CA 3.49Å; T201-F204 WeakPolarHBondContact O-CB 3.28Å; T201-F204 PolarHBondContact O-N 2.89Å; G202-F204 VanDerWaalsContact C-N 3.28Å; G202-F204 PolarHBondContact O-N 3.31Å; F204-S207 PolarHBondContact O-N 2.74Å; F204-L208 WeakPolarHBondContact O-CB 3.35Å; F204-L208 PolarHBondContact O-N 3.03Å; F204-I362 HydrophobicContact CB-CD1 3.56Å
205V98.1Very high97.1Very high0 Ų021.4 Ų21.40%012%0.123CC..Hα-helixtrans-62.7-49.9175.7168.40000111I194 T201 G202 S207 L208 F209 M220 F258 I362I194-V205 HydrophobicContact CB-CG1 4.16Å; I194-V205 HydrophobicContact CD1-CG1 4.44Å; I194-V205 HydrophobicContact CG2-CG1 3.81Å; I194-V205 HydrophobicContact CG2-CG2 3.97Å; T201-V205 WeakPolarHBondContact O-CG2 3.47Å; T201-V205 PolarHBondContact O-N 3.23Å; G202-V205 WeakPolarHBondContact O-CB 3.33Å; G202-V205 PolarHBondContact O-N 2.93Å; G202-V205 VanDerWaalsContact O-N 3.15Å; V205-S207 VanDerWaalsContact C-N 3.35Å; V205-S207 PolarHBondContact O-N 2.95Å; V205-L208 PolarHBondContact O-N 3.17Å; V205-F209 HydrophobicContact CB-CD2 4.29Å; V205-F209 HydrophobicContact CG1-CD2 3.92Å; V205-F209 HydrophobicContact CG2-CD2 4.43Å; V205-F209 HydrophobicContact CG2-CE2 4.44Å; V205-F209 WeakPolarHBondContact O-CB 3.44Å; V205-F209 WeakPolarHBondContact O-CD2 3.3Å; V205-F209 PolarHBondContact O-N 3.34Å; V205-M220 HydrophobicContact CG1-CB 4.34Å; V205-M220 HydrophobicContact CG1-CG 4.17Å; V205-M220 HydrophobicContact CG1-SD 3.39Å; V205-M220 WeakPolarHBondContact CG1-SD 3.47Å; V205-F258 HydrophobicContact CG2-CD2 3.89Å; V205-F258 HydrophobicContact CG2-CE2 3.47Å; V205-F258 VanDerWaalsContact CG2-CE2 3.47Å; V205-I362 HydrophobicContact CG2-CD1 4.4Å; V205-I362 HydrophobicContact CG2-CG1 4.5Å
206L98.4Very high97.2Very high50 Ų5024.9 Ų24.926%0.26214%0.138SC..Iπ-helixtrans-58.8-47.4177-69.7169.1000111.1G202 L208 H210 D211 M220 C223G202-L206 PolarHBondContact O-N 3.06Å; L206-L208 VanDerWaalsContact C-N 3.3Å; L206-L208 PolarHBondContact O-N 3.41Å; L206-H210 WeakPolarHBondContact O-CB 3.08Å; L206-H210 PolarHBondContact O-N 2.98Å; L206-D211 PolarHBondContact O-N 2.9Å; L206-M220 HydrophobicContact CD2-CB 3.86Å; L206-M220 HydrophobicContact CD2-CG 4.08Å; L206-C223 HydrophobicContact CD1-CB 3.86Å; L206-C223 HydrophobicContact CD2-CB 4.46Å; L206-C223 HydrophobicContact CG-CB 3.96Å
207S98.3Very high97.3Very high17 Ų1727.5 Ų27.512%0.11916%0.156CC..Iπ-helixtrans-60.1-37.4179.1-1750000113.5I161 S165 P203 F204 V205 R212I161-S207 VanDerWaalsContact CG2-CB 3.47Å; S165-S207 PolarHBondContact OG-OG 2.86Å; S165-S207 VanDerWaalsContact OG-OG 3.12Å; P203-S207 WeakPolarHBondContact O-CB 3.21Å; P203-S207 PolarHBondContact O-N 3.11Å; F204-S207 PolarHBondContact O-N 2.74Å; V205-S207 VanDerWaalsContact C-N 3.35Å; V205-S207 PolarHBondContact O-N 2.95Å; S207-R212 VanDerWaalsContact O-CG 3.29Å; S207-R212 WeakPolarHBondContact O-CG 3.43Å; S207-R212 PolarHBondContact O-N 3.41Å
208L98.2Very high97.4Very high0 Ų031.4 Ų31.40%017%0.174CC..Iπ-helixtrans-89.9-56.9-175.8-80.3162.8000112.9Y164 S165 M168 F174 F204 V205 L206 R212 L213 I362Y164-L208 HydrophobicContact CD1-CD1 3.95Å; Y164-L208 HydrophobicContact CE1-CD1 3.72Å; S165-L208 WeakPolarHBondContact OG-CG 3.4Å; M168-L208 HydrophobicContact CB-CD1 4.29Å; M168-L208 HydrophobicContact CB-CD2 3.76Å; M168-L208 HydrophobicContact CG-CD1 3.93Å; M168-L208 HydrophobicContact CG-CD2 4.32Å; F174-L208 HydrophobicContact CE1-CD2 4.06Å; F174-L208 HydrophobicContact CZ-CD2 3.62Å; F204-L208 WeakPolarHBondContact O-CB 3.35Å; F204-L208 PolarHBondContact O-N 3.03Å; V205-L208 PolarHBondContact O-N 3.17Å; L206-L208 VanDerWaalsContact C-N 3.3Å; L206-L208 PolarHBondContact O-N 3.41Å; L208-R212 WeakPolarHBondContact O-CB 3.24Å; L208-L213 WeakPolarHBondContact O-CB 3.4Å; L208-L213 VanDerWaalsContact O-CG 3.29Å; L208-L213 WeakPolarHBondContact O-CG 3.31Å; L208-L213 PolarHBondContact O-N 2.79Å; L208-I362 HydrophobicContact CD1-CG2 3.65Å
209F98.4Very high97.5Very high0 Ų030.1 Ų30.10%017%0.168CC..Iπ-helixtrans-78.4-46-171.2-64.8-85.3000111.2F181 I194 V205 L213 G214 A215 M220 I362 V365 L366 L369F181-F209 HydrophobicContact CZ-CD1 4.23Å; I194-F209 HydrophobicContact CD1-CB 4.32Å; I194-F209 HydrophobicContact CD1-CD1 3.57Å; I194-F209 HydrophobicContact CD1-CD2 3.64Å; I194-F209 HydrophobicContact CD1-CE1 3.65Å; I194-F209 HydrophobicContact CD1-CE2 3.73Å; I194-F209 HydrophobicContact CD1-CG 3.56Å; I194-F209 HydrophobicContact CD1-CZ 3.74Å; V205-F209 HydrophobicContact CB-CD2 4.29Å; V205-F209 HydrophobicContact CG1-CD2 3.92Å; V205-F209 HydrophobicContact CG2-CD2 4.43Å; V205-F209 HydrophobicContact CG2-CE2 4.44Å; V205-F209 WeakPolarHBondContact O-CB 3.44Å; V205-F209 WeakPolarHBondContact O-CD2 3.3Å; V205-F209 PolarHBondContact O-N 3.34Å; F209-L213 HydrophobicContact CD1-CD1 4.22Å; F209-L213 CarbonylContact O-C 3.48Å; F209-L213 WeakPolarHBondContact O-CB 3.24Å; F209-G214 PolarHBondContact O-N 2.88Å; F209-G214 VanDerWaalsContact O-N 3.13Å; F209-A215 HydrophobicContact CB-CB 4.08Å; F209-A215 WeakPolarHBondContact O-CB 3.45Å; F209-A215 PolarHBondContact O-N 3.32Å; F209-M220 HydrophobicContact CB-SD 3.87Å; F209-I362 HydrophobicContact CE2-CG2 4.09Å; F209-I362 HydrophobicContact CZ-CG2 4.35Å; F209-V365 HydrophobicContact CE1-CG1 3.72Å; F209-V365 HydrophobicContact CZ-CB 4.12Å; F209-V365 HydrophobicContact CZ-CG1 3.68Å; F209-L366 HydrophobicContact CE1-CD2 3.89Å; F209-L366 HydrophobicContact CE1-CG 4.47Å; F209-L366 HydrophobicContact CZ-CD2 4.07Å; F209-L366 HydrophobicContact CZ-CG 4.2Å; F209-L369 HydrophobicContact CD1-CD1 4.36Å; F209-L369 HydrophobicContact CE1-CD1 3.77Å
210H97.9Very high97.5Very high66 Ų6630.8 Ų30.831%0.30617%0.172SC..Iπ-helixtrans-78.1-67178.5-178.356.4000111.4L206 R212 G214 A215 S217L206-H210 WeakPolarHBondContact O-CB 3.08Å; L206-H210 PolarHBondContact O-N 2.98Å; H210-R212 PolarHBondContact O-N 3.26Å; H210-G214 WeakPolarHBondContact O-CA 3.5Å; H210-G214 PolarHBondContact O-N 2.88Å; H210-A215 PolarHBondContact ND1-O 2.54Å; H210-S217 PolarHBondContact ND1-N 2.84Å
211D98.1Very high97.3Very high115 Ų11534.8 Ų34.862%0.61519%0.187SC*.Iπ-helixtrans-65.9-40.8-167.8-60.6-20.5000112.7L206L206-D211 PolarHBondContact O-N 2.9Å
212R98.1Very high97.2Very high48 Ų4837.7 Ų37.718%0.18120%0.202CC..Iπ-helixtrans-93.6-41.5-176.5-69.2178.4-167.9-133.35.6113.6S165 D166 E169 F174 K178 S207 L208 H210S165-R212 VanDerWaalsContact CB-CZ 3.48Å; D166-R212 IonicContact OD1-CZ 3.86Å; D166-R212 VanDerWaalsContact OD1-CZ 3.26Å; D166-R212 IonicContact OD1-NH1 3.36Å; D166-R212 PolarHBondContact OD1-NH1 3.33Å; D166-R212 IonicContact OD1-NH2 2.63Å; D166-R212 PolarHBondContact OD1-NH2 2.77Å; E169-R212 IonicContact OE2-CZ 3.69Å; E169-R212 IonicContact OE2-NH1 2.8Å; E169-R212 PolarHBondContact OE2-NH1 3.13Å; F174-R212 HydrophobicContact CD1-CB 4.27Å; F174-R212 HydrophobicContact CE1-CB 3.86Å; K178-R212 WeakPolarHBondContact CE-O 3.47Å; K178-R212 PolarHBondContact NZ-O 3.02Å; S207-R212 VanDerWaalsContact O-CG 3.29Å; S207-R212 WeakPolarHBondContact O-CG 3.43Å; S207-R212 PolarHBondContact O-N 3.41Å; L208-R212 WeakPolarHBondContact O-CB 3.24Å; H210-R212 PolarHBondContact O-N 3.26Å
213L98.1Very high97.1Very high4 Ų438 Ų382%0.02121%0.205CC..THydrogen-bonded Turntrans-96.4-15.5-173.4-66.3173.5000114.1F174 L177 K178 F181 L208 F209 L366F174-L213 HydrophobicContact CB-CD2 4.33Å; F174-L213 HydrophobicContact CD1-CD2 3.6Å; F174-L213 HydrophobicContact CD1-CG 4.25Å; F174-L213 HydrophobicContact CD2-CD2 4.27Å; F174-L213 HydrophobicContact CE1-CD2 3.85Å; F174-L213 HydrophobicContact CE1-CG 4.03Å; F174-L213 HydrophobicContact CE2-CD2 4.47Å; F174-L213 HydrophobicContact CG-CD2 3.81Å; F174-L213 HydrophobicContact CZ-CD1 4.45Å; F174-L213 HydrophobicContact CZ-CD2 4.28Å; F174-L213 HydrophobicContact CZ-CG 4.4Å; L177-L213 HydrophobicContact CB-CD2 3.62Å; L177-L213 HydrophobicContact CD1-CD1 4.32Å; L177-L213 HydrophobicContact CD1-CD2 4.29Å; K178-L213 HydrophobicContact CG-CD2 4.29Å; F181-L213 HydrophobicContact CD2-CB 3.87Å; F181-L213 HydrophobicContact CE2-CB 3.9Å; F181-L213 HydrophobicContact CE2-CD1 3.95Å; F181-L213 HydrophobicContact CE2-CG 4.43Å; L208-L213 WeakPolarHBondContact O-CB 3.4Å; L208-L213 VanDerWaalsContact O-CG 3.29Å; L208-L213 WeakPolarHBondContact O-CG 3.31Å; L208-L213 PolarHBondContact O-N 2.79Å; F209-L213 HydrophobicContact CD1-CD1 4.22Å; F209-L213 CarbonylContact O-C 3.48Å; F209-L213 WeakPolarHBondContact O-CB 3.24Å; L213-L366 HydrophobicContact CD1-CD2 3.73Å
214G96.6Very high97Very high53 Ų5342.1 Ų42.155%0.54623%0.225SC..  trans81.422.3177.700000114.3F209 H210F209-G214 PolarHBondContact O-N 2.88Å; F209-G214 VanDerWaalsContact O-N 3.13Å; H210-G214 WeakPolarHBondContact O-CA 3.5Å; H210-G214 PolarHBondContact O-N 2.88Å
215A97.4Very high97Very high5 Ų544 Ų444%0.04124%0.237CC..  trans-63.7152.3167.200000110.4F181 V192 F209 H210 S217 M220F181-A215 HydrophobicContact CD1-CB 4.04Å; F181-A215 HydrophobicContact CE1-CB 3.75Å; F181-A215 HydrophobicContact CZ-CB 4.43Å; V192-A215 HydrophobicContact CG2-CB 4.12Å; F209-A215 HydrophobicContact CB-CB 4.08Å; F209-A215 WeakPolarHBondContact O-CB 3.45Å; F209-A215 PolarHBondContact O-N 3.32Å; H210-A215 PolarHBondContact ND1-O 2.54Å; A215-S217 PolarHBondContact O-N 2.6Å; A215-M220 HydrophobicContact CB-CE 4.06Å
216F96.6Very high97Very high84 Ų8447.2 Ų47.237%0.36825%0.254SS..  trans-68.5128.9177.7-67.5-78.1000110.3P189 E218 D219P189-F216 HydrophobicContact CB-CE2 4.46Å; F216-E218 HydrophobicContact CB-CG 4.2Å; F216-E218 WeakPolarHBondContact CB-OE2 3.29Å; F216-E218 PolarHBondContact O-N 2.84Å; F216-D219 PolarHBondContact O-N 2.75Å
217S96.2Very high96.9Very high55 Ų5547.8 Ų47.839%0.38526%0.262SS..G310 helixtrans-65.5-29.5-178.851.10000111.6H210 A215 D219 M220H210-S217 PolarHBondContact ND1-N 2.84Å; A215-S217 PolarHBondContact O-N 2.6Å; S217-D219 PolarHBondContact O-N 3.06Å; S217-M220 WeakPolarHBondContact O-CB 3.45Å; S217-M220 PolarHBondContact O-N 3.08Å
218E95.5Very high96.8Very high102 Ų10250.1 Ų50.148%0.47727%0.273SS..G310 helixtrans-66-1417466.8-94.8-143.600113.9F216 R221F216-E218 HydrophobicContact CB-CG 4.2Å; F216-E218 WeakPolarHBondContact CB-OE2 3.29Å; F216-E218 PolarHBondContact O-N 2.84Å; E218-R221 PolarHBondContact O-NH1 2.81Å; E218-R221 PolarHBondContact O-NH2 3.01Å
219D96.6Very high96.6Very high3 Ų350.1 Ų50.12%0.01627%0.273CS..G310 helixtrans-94.71173.6-62-34.7000112.7R191 V192 L193 I194 F216 S217 H252R191-D219 IonicContact CZ-OD1 3.29Å; R191-D219 IonicContact CZ-OD2 2.78Å; R191-D219 IonicContact NE-OD1 2.73Å; R191-D219 IonicContact NE-OD2 2.96Å; R191-D219 PolarHBondContact NE-OD2 3.28Å; R191-D219 VanDerWaalsContact NH2-CG 3.26Å; R191-D219 IonicContact NH2-OD1 3.74Å; R191-D219 PolarHBondContact NH2-OD1 3.26Å; R191-D219 IonicContact NH2-OD2 3.92Å; R191-D219 PolarHBondContact NH2-OD2 2.64Å; V192-D219 WeakPolarHBondContact O-CB 3.45Å; L193-D219 WeakPolarHBondContact CA-O 3.43Å; L193-D219 HydrophobicContact CD1-CB 4.29Å; L193-D219 WeakPolarHBondContact CD1-O 3.17Å; I194-D219 PolarHBondContact N-O 3.38Å; F216-D219 PolarHBondContact O-N 2.75Å; S217-D219 PolarHBondContact O-N 3.06Å; D219-H252 IonicContact OD1-CD2 3.45Å; D219-H252 IonicContact OD1-CE1 2.7Å; D219-H252 IonicContact OD1-NE2 2.94Å; D219-H252 PolarHBondContact OD1-NE2 3.46Å; D219-H252 IonicContact OD2-CD2 3.17Å; D219-H252 IonicContact OD2-NE2 3.75Å
220M96.5Very high96.3Very high14 Ų1451.6 Ų51.67%0.06929%0.289CS..EExtended strand (participates in β ladder)trans-95.8101.1172.3-52.5-59105.600108V192 I194 V205 L206 F209 A215 S217V192-M220 HydrophobicContact CG2-CE 3.73Å; I194-M220 HydrophobicContact CB-CE 4.37Å; I194-M220 HydrophobicContact CB-SD 4.08Å; I194-M220 HydrophobicContact CD1-CE 4.38Å; I194-M220 HydrophobicContact CD1-SD 4.2Å; I194-M220 HydrophobicContact CG1-CE 4.29Å; I194-M220 HydrophobicContact CG1-SD 4.38Å; I194-M220 CarbonylContact O-C 3.53Å; V205-M220 HydrophobicContact CG1-CB 4.34Å; V205-M220 HydrophobicContact CG1-CG 4.17Å; V205-M220 HydrophobicContact CG1-SD 3.39Å; V205-M220 WeakPolarHBondContact CG1-SD 3.47Å; L206-M220 HydrophobicContact CD2-CB 3.86Å; L206-M220 HydrophobicContact CD2-CG 4.08Å; F209-M220 HydrophobicContact CB-SD 3.87Å; A215-M220 HydrophobicContact CB-CE 4.06Å; S217-M220 WeakPolarHBondContact O-CB 3.45Å; S217-M220 PolarHBondContact O-N 3.08Å
221R93.9Very high95.9Very high83 Ų8351.5 Ų51.531%0.31331%0.305SS..EExtended strand (participates in β ladder)trans-90.7144.3-175.5-62.3-67.7-175.8-130.7-13.2110.8L193 I194 D195 G196 E218 C223 E246L193-R221 HydrophobicContact CD1-CG 3.79Å; I194-R221 PolarHBondContact O-N 2.91Å; D195-R221 HydrophobicContact CB-CB 4.14Å; G196-R221 PolarHBondContact N-O 3.46Å; E218-R221 PolarHBondContact O-NH1 2.81Å; E218-R221 PolarHBondContact O-NH2 3.01Å; R221-C223 PolarHBondContact O-N 3.4Å; R221-C223 VanDerWaalsContact O-N 3.07Å; R221-C223 PolarHBondContact O-SG 3.25Å; R221-E246 IonicContact CZ-OE1 3.42Å; R221-E246 IonicContact CZ-OE2 3.02Å; R221-E246 IonicContact NE-OE1 4Å; R221-E246 IonicContact NE-OE2 3.55Å; R221-E246 PolarHBondContact NE-OE2 3.4Å; R221-E246 IonicContact NH2-OE1 3.82Å; R221-E246 PolarHBondContact NH2-OE1 2.92Å; R221-E246 IonicContact NH2-OE2 2.77Å
222N94.2Very high95.3Very high61 Ų6152.3 Ų52.333%0.32630%0.303SS..SBendtrans47.343.6171.3-50-37.7000113.4D195 H198D195-N222 VanDerWaalsContact CG-ND2 3.31Å; D195-N222 VanDerWaalsContact OD1-CB 3.31Å; D195-N222 WeakPolarHBondContact OD1-CB 3.46Å; D195-N222 PolarHBondContact OD1-ND2 3.19Å; D195-N222 PolarHBondContact OD2-ND2 3.12Å; D195-N222 VanDerWaalsContact OD2-ND2 3.09Å; H198-N222 VanDerWaalsContact CA-O 3.26Å; H198-N222 WeakPolarHBondContact CA-O 3.01Å; H198-N222 VanDerWaalsContact CE1-CB 3.49Å; H198-N222 WeakPolarHBondContact CE1-CB 3.22Å; H198-N222 PolarHBondContact CE1-OD1 2.88Å; H198-N222 PolarHBondContact N-O 3.02Å; H198-N222 PolarHBondContact NE2-OD1 3.02Å
223C96.1Very high94.8Very high8 Ų853.6 Ų53.65%0.05431%0.313CS..  trans-90.64-174.4-750000114.2G202 P203 L206 R221G202-C223 CarbonylContact C-O 3.59Å; G202-C223 VanDerWaalsContact C-O 3.29Å; G202-C223 WeakPolarHBondContact CA-O 3.31Å; P203-C223 WeakPolarHBondContact CD-O 3.38Å; L206-C223 HydrophobicContact CD1-CB 3.86Å; L206-C223 HydrophobicContact CD2-CB 4.46Å; L206-C223 HydrophobicContact CG-CB 3.96Å; R221-C223 PolarHBondContact O-N 3.4Å; R221-C223 VanDerWaalsContact O-N 3.07Å; R221-C223 PolarHBondContact O-SG 3.25Å
224D96.3Very high94.1Very high116 Ų11653.4 Ų53.462%0.6231%0.312SS*.SBendtrans-91.7119.9170.8-65.3-42.8000109.2H198 L226H198-D224 WeakPolarHBondContact CA-O 3.36Å; H198-D224 PolarHBondContact ND1-O 2.94Å; D224-L226 PolarHBondContact O-N 3.27Å
225P97.4Very high93.2Very high39 Ų3953.4 Ų53.425%0.25330%0.299SS..  trans-64.3127.1177.1-22.834.4000111.6L63 H198 P203L63-P225 HydrophobicContact CD1-CG 4.36Å; H198-P225 CarbonylContact O-C 3.5Å; H198-P225 VanDerWaalsContact O-CA 3.27Å; H198-P225 WeakPolarHBondContact O-CA 3.15Å; P203-P225 HydrophobicContact CG-CG 3.7Å
226L97.4Very high91.6Very high68 Ų6853.3 Ų53.336%0.35630%0.298SS..  trans-121.1141.2176.8-60.6178.8000110.4H198 D224 D228 F229H198-L226 HydrophobicContact CB-CB 4.06Å; H198-L226 HydrophobicContact CB-CD1 4.11Å; H198-L226 HydrophobicContact CB-CG 4.04Å; H198-L226 PolarHBondContact O-N 3.3Å; D224-L226 PolarHBondContact O-N 3.27Å; L226-D228 PolarHBondContact O-N 3.07Å; L226-D228 VanDerWaalsContact O-N 3.08Å; L226-F229 PolarHBondContact O-N 2.73Å
227S96.7Very high90.2Very high63 Ų6350.2 Ų50.244%0.44129%0.286SS..THydrogen-bonded Turntrans-63-20-176.459.50000114.7G33 R34 N35 G92G33-S227 WeakPolarHBondContact O-CA 3.44Å; R34-S227 CarbonylContact C-O 3.57Å; R34-S227 WeakPolarHBondContact CA-O 3.23Å; N35-S227 PolarHBondContact N-O 3.01Å; G92-S227 PolarHBondContact N-O 3.38Å
228D96.1Very high88.4Confident66 Ų6649.5 Ų49.535%0.35328%0.278SS..THydrogen-bonded Turntrans-117.410177.668.8-16.2000112.8L226 G230 G231L226-D228 PolarHBondContact O-N 3.07Å; L226-D228 VanDerWaalsContact O-N 3.08Å; D228-G230 PolarHBondContact O-N 3.3Å; D228-G230 PolarHBondContact OD1-N 2.83Å; D228-G230 VanDerWaalsContact OD1-N 3.09Å; D228-G231 PolarHBondContact O-N 2.99Å
229F94.9Very high86.4Confident0 Ų049.4 Ų49.40%028%0.284CS..G310 helixtrans54.230.8-176.9-46.9-62.9000113.9R34 G91 H198 L226 G231 F232 P234 A260R34-F229 HydrophobicContact CB-CE1 4.46Å; R34-F229 HydrophobicContact CB-CE2 4.08Å; R34-F229 HydrophobicContact CB-CZ 3.65Å; G91-F229 VanDerWaalsContact N-CD2 3.35Å; H198-F229 HydrophobicContact CB-CB 4.43Å; H198-F229 PolarHBondContact CD2-O 2.96Å; H198-F229 WeakPolarHBondContact O-CD1 3.33Å; L226-F229 PolarHBondContact O-N 2.73Å; F229-G231 PolarHBondContact O-N 2.84Å; F229-F232 PolarHBondContact O-N 2.83Å; F229-P234 HydrophobicContact CB-CB 4.37Å; F229-P234 HydrophobicContact CD1-CB 4.48Å; F229-P234 HydrophobicContact CD2-CB 4.23Å; F229-P234 HydrophobicContact CD2-CG 3.56Å; F229-P234 HydrophobicContact CE2-CG 3.77Å; F229-P234 HydrophobicContact CG-CB 4.11Å; F229-P234 HydrophobicContact CG-CG 3.96Å; F229-P234 HydrophobicContact CZ-CG 4.35Å; F229-A260 HydrophobicContact CD1-CB 4.45Å; F229-A260 HydrophobicContact CE1-CB 3.73Å; F229-A260 HydrophobicContact CE2-CB 4.33Å; F229-A260 HydrophobicContact CZ-CB 3.63Å
230G92.2Very high84.6Confident31 Ų3155.4 Ų55.432%0.3231%0.312SS..G310 helixtrans73.515.7-176.500000113.9D228 F232D228-G230 PolarHBondContact O-N 3.3Å; D228-G230 PolarHBondContact OD1-N 2.83Å; D228-G230 VanDerWaalsContact OD1-N 3.09Å; G230-F232 VanDerWaalsContact C-N 3.28Å; G230-F232 WeakPolarHBondContact O-CD2 3.49Å
231G89.7Confident83.1Confident63 Ų6355.4 Ų55.465%0.64931%0.313SS*.G310 helixtrans81.44.3-175.300000114D228 F229D228-G231 PolarHBondContact O-N 2.99Å; F229-G231 PolarHBondContact O-N 2.84Å
232F85.9Confident82.5Confident132 Ų13255.1 Ų55.158%0.57933%0.328SS*.SBendtrans-90.5155.5176.3-59.3-74000111.2F229 G230 P234F229-F232 PolarHBondContact O-N 2.83Å; G230-F232 VanDerWaalsContact C-N 3.28Å; G230-F232 WeakPolarHBondContact O-CD2 3.49Å; F232-P234 WeakPolarHBondContact O-CD 3.46Å
233I86.1Confident82.1Confident75 Ų7552.3 Ų52.339%0.38531%0.314SS..  trans-77.5119.1165-57.1175.6000105.7H88 P90 M197 D235H88-I233 WeakPolarHBondContact O-CG2 3.01Å; P90-I233 HydrophobicContact CB-CG1 4.3Å; M197-I233 WeakPolarHBondContact CE-O 3.22Å; I233-D235 HydrophobicContact CG2-CB 3.72Å; I233-D235 PolarHBondContact O-N 2.83Å
234P84.2Confident81.5Confident0 Ų053.2 Ų53.20%032%0.317CS..  trans-7744.3178.737.1-39000110.8H88 M197 F229 F232 D259 A260H88-P234 WeakPolarHBondContact CA-O 3.36Å; M197-P234 HydrophobicContact CB-CB 4.37Å; F229-P234 HydrophobicContact CB-CB 4.37Å; F229-P234 HydrophobicContact CD1-CB 4.48Å; F229-P234 HydrophobicContact CD2-CB 4.23Å; F229-P234 HydrophobicContact CD2-CG 3.56Å; F229-P234 HydrophobicContact CE2-CG 3.77Å; F229-P234 HydrophobicContact CG-CB 4.11Å; F229-P234 HydrophobicContact CG-CG 3.96Å; F229-P234 HydrophobicContact CZ-CG 4.35Å; F232-P234 WeakPolarHBondContact O-CD 3.46Å; P234-D259 WeakPolarHBondContact O-CA 3.45Å; P234-A260 HydrophobicContact CB-CB 3.89Å; P234-A260 HydrophobicContact CG-CB 3.81Å
235D76.6Confident81.1Confident53 Ų5351.6 Ų51.628%0.28331%0.312SS..  trans-96.7141.8174.9-165.55.2000109.3H88 M197 I233 D237H88-D235 HydrophobicContact CB-CB 3.97Å; H88-D235 IonicContact CD2-OD1 2.73Å; H88-D235 IonicContact CD2-OD2 3.26Å; M197-D235 WeakPolarHBondContact CE-O 3.32Å; I233-D235 HydrophobicContact CG2-CB 3.72Å; I233-D235 PolarHBondContact O-N 2.83Å; D235-D237 PolarHBondContact O-N 3.31Å; D235-D237 VanDerWaalsContact O-N 3.08Å
236T65.4Low80.9Confident3 Ų351.4 Ų51.42%0.01831%0.307CS..  trans-82.335.8175.646.90000111.1L238 V257 D259 I266 L349T236-L238 PolarHBondContact O-N 3.46Å; T236-V257 HydrophobicContact CG2-CG1 4.33Å; T236-D259 HydrophobicContact CG2-CB 4.38Å; T236-I266 WeakPolarHBondContact O-CD1 3.12Å; T236-L349 VanDerWaalsContact O-CD1 3.28Å; T236-L349 WeakPolarHBondContact O-CD1 3.38Å; T236-L349 WeakPolarHBondContact OG1-CD1 3.45Å
237D66.1Low80.7Confident20 Ų2048.2 Ų48.211%0.10729%0.291CS..  trans-75125.9171.2-174.43.1000109.5D235 T239 Q240D235-D237 PolarHBondContact O-N 3.31Å; D235-D237 VanDerWaalsContact O-N 3.08Å; D237-T239 VanDerWaalsContact CG-OG1 3.27Å; D237-T239 PolarHBondContact O-N 2.83Å; D237-T239 VanDerWaalsContact O-N 3.13Å; D237-T239 PolarHBondContact OD1-N 3.01Å; D237-T239 VanDerWaalsContact OD1-N 3.16Å; D237-T239 PolarHBondContact OD1-OG1 3.38Å; D237-T239 PolarHBondContact OD2-OG1 3.38Å; D237-Q240 PolarHBondContact O-N 3.13Å
238L57.6Low80.6Confident40 Ų4050.9 Ų50.921%0.20930%0.296CS..THydrogen-bonded Turntrans-58.8-24.4179.6-67.5172.4000113T236 Q240 I244 I266 F274T236-L238 PolarHBondContact O-N 3.46Å; L238-Q240 PolarHBondContact O-N 2.81Å; L238-I244 HydrophobicContact CB-CD1 4.07Å; L238-I244 HydrophobicContact CD2-CD1 3.71Å; L238-I244 WeakPolarHBondContact O-CD1 3.44Å; L238-I266 HydrophobicContact CD2-CD1 3.73Å; L238-I266 HydrophobicContact CD2-CG1 4.1Å; L238-I266 HydrophobicContact CD2-CG2 4.11Å; L238-I266 HydrophobicContact CG-CD1 4.4Å; L238-F274 HydrophobicContact CD1-CD1 3.93Å; L238-F274 HydrophobicContact CD1-CD2 3.82Å; L238-F274 HydrophobicContact CD1-CE1 3.72Å; L238-F274 HydrophobicContact CD1-CE2 3.67Å; L238-F274 HydrophobicContact CD1-CG 3.97Å; L238-F274 HydrophobicContact CD1-CZ 3.61Å; L238-F274 HydrophobicContact CD2-CD2 3.44Å; L238-F274 VanDerWaalsContact CD2-CD2 3.44Å; L238-F274 HydrophobicContact CD2-CE2 3.42Å; L238-F274 VanDerWaalsContact CD2-CE2 3.42Å; L238-F274 HydrophobicContact CD2-CG 4.3Å; L238-F274 HydrophobicContact CD2-CZ 4.2Å; L238-F274 HydrophobicContact CG-CD2 4.21Å; L238-F274 HydrophobicContact CG-CE2 3.94Å; L238-F274 HydrophobicContact CG-CZ 4.23Å
239T55.3Low80.5Confident99 Ų9956.3 Ų56.361%0.60731%0.312SS*.THydrogen-bonded Turntrans-69.3-16.8-176.665.30000113.2D237D237-T239 VanDerWaalsContact CG-OG1 3.27Å; D237-T239 PolarHBondContact O-N 2.83Å; D237-T239 VanDerWaalsContact O-N 3.13Å; D237-T239 PolarHBondContact OD1-N 3.01Å; D237-T239 VanDerWaalsContact OD1-N 3.16Å; D237-T239 PolarHBondContact OD1-OG1 3.38Å; D237-T239 PolarHBondContact OD2-OG1 3.38Å
240Q57.6Low80.4Confident130 Ų13058.1 Ų58.161%0.60733%0.33SS*.THydrogen-bonded Turntrans-122.5-10.2-166.3-53.9-16928.700115.7D237 L238 A242D237-Q240 PolarHBondContact O-N 3.13Å; L238-Q240 PolarHBondContact O-N 2.81Å; Q240-A242 PolarHBondContact O-N 2.89Å
241S66.3Low80.6Confident14 Ų1460.5 Ų60.510%0.09834%0.339CS..  trans-80.7115.9-174.678.10000112.2L243 I244S241-L243 PolarHBondContact O-N 2.91Å; S241-I244 PolarHBondContact O-N 3.21Å; S241-I244 WeakPolarHBondContact OG-CD1 3.32Å; S241-I244 VanDerWaalsContact OG-CG1 3.26Å; S241-I244 WeakPolarHBondContact OG-CG1 3.41Å
242A79.8Confident81Confident76 Ų7657.8 Ų57.863%0.62831%0.309SS*.Hα-helixtrans-54.2-24.3169.300000112.3Q240 I244 V245 E246Q240-A242 PolarHBondContact O-N 2.89Å; A242-I244 VanDerWaalsContact C-N 3.34Å; A242-I244 PolarHBondContact O-N 3.02Å; A242-V245 PolarHBondContact O-N 2.78Å; A242-E246 PolarHBondContact O-N 3.47Å
243L87.2Confident81.5Confident3 Ų352 Ų522%0.01628%0.284CS..Hα-helixtrans-60.9-36.7175.2-173.5145.1000112.9L193 D195 S241 V245 E246 M247 A256 V257 L268L193-L243 HydrophobicContact CB-CD1 4.45Å; L193-L243 HydrophobicContact CD2-CD1 4.09Å; L193-L243 HydrophobicContact CD2-CD2 4.49Å; L193-L243 HydrophobicContact CD2-CG 3.75Å; L193-L243 HydrophobicContact CG-CD1 3.73Å; L193-L243 HydrophobicContact CG-CG 3.99Å; D195-L243 HydrophobicContact CB-CB 4.47Å; D195-L243 HydrophobicContact CB-CD1 3.49Å; D195-L243 VanDerWaalsContact CB-CD1 3.49Å; S241-L243 PolarHBondContact O-N 2.91Å; L243-V245 VanDerWaalsContact C-N 3.33Å; L243-V245 PolarHBondContact O-N 3.38Å; L243-E246 PolarHBondContact O-N 3.05Å; L243-E246 VanDerWaalsContact O-N 3.17Å; L243-M247 HydrophobicContact CD2-CG 3.61Å; L243-M247 HydrophobicContact CG-CG 4.37Å; L243-M247 WeakPolarHBondContact O-CG 3.48Å; L243-M247 PolarHBondContact O-N 3.22Å; L243-A256 WeakPolarHBondContact CD1-O 3.41Å; L243-V257 HydrophobicContact CB-CG2 4.1Å; L243-V257 HydrophobicContact CD1-CG2 4.08Å; L243-V257 HydrophobicContact CD2-CG2 3.89Å; L243-V257 HydrophobicContact CG-CG2 4.23Å; L243-L268 HydrophobicContact CD2-CD1 3.51Å
244I83.7Confident82.1Confident26 Ų2648.5 Ų48.513%0.13327%0.266CS..Hα-helixtrans-61.4-45.9177.5-71.7158.7000110.3L238 S241 A242 E246 M247 E248 L268L238-I244 HydrophobicContact CB-CD1 4.07Å; L238-I244 HydrophobicContact CD2-CD1 3.71Å; L238-I244 WeakPolarHBondContact O-CD1 3.44Å; S241-I244 PolarHBondContact O-N 3.21Å; S241-I244 WeakPolarHBondContact OG-CD1 3.32Å; S241-I244 VanDerWaalsContact OG-CG1 3.26Å; S241-I244 WeakPolarHBondContact OG-CG1 3.41Å; A242-I244 VanDerWaalsContact C-N 3.34Å; A242-I244 PolarHBondContact O-N 3.02Å; I244-E246 PolarHBondContact O-N 2.73Å; I244-M247 WeakPolarHBondContact O-CB 3.37Å; I244-M247 PolarHBondContact O-N 3.13Å; I244-M247 VanDerWaalsContact O-N 3.13Å; I244-E248 HydrophobicContact CG2-CG 4.43Å; I244-E248 WeakPolarHBondContact O-CG 3.28Å; I244-E248 PolarHBondContact O-N 2.75Å; I244-L268 HydrophobicContact CG1-CD1 3.69Å
245V87.7Confident82.7Confident83 Ų8348.5 Ų48.550%0.50327%0.266SS..Hα-helixtrans-61.4-35177.5179.50000111.2A242 L243A242-V245 PolarHBondContact O-N 2.78Å; L243-V245 VanDerWaalsContact C-N 3.33Å; L243-V245 PolarHBondContact O-N 3.38Å
246E92.1Very high83.6Confident35 Ų3546 Ų4616%0.16425%0.252CS..Hα-helixtrans-70.8-43.2174.6-167171.4172.200111.6L193 R221 A242 L243 I244 E248 R249 H252L193-E246 HydrophobicContact CD2-CB 3.73Å; L193-E246 HydrophobicContact CD2-CG 3.6Å; R221-E246 IonicContact CZ-OE1 3.42Å; R221-E246 IonicContact CZ-OE2 3.02Å; R221-E246 IonicContact NE-OE1 4Å; R221-E246 IonicContact NE-OE2 3.55Å; R221-E246 PolarHBondContact NE-OE2 3.4Å; R221-E246 IonicContact NH2-OE1 3.82Å; R221-E246 PolarHBondContact NH2-OE1 2.92Å; R221-E246 IonicContact NH2-OE2 2.77Å; A242-E246 PolarHBondContact O-N 3.47Å; L243-E246 PolarHBondContact O-N 3.05Å; L243-E246 VanDerWaalsContact O-N 3.17Å; I244-E246 PolarHBondContact O-N 2.73Å; E246-E248 VanDerWaalsContact C-N 3.3Å; E246-E248 PolarHBondContact O-N 3.15Å; E246-R249 VanDerWaalsContact O-CB 3.28Å; E246-R249 WeakPolarHBondContact O-CB 3.42Å; E246-R249 PolarHBondContact O-N 3.06Å; E246-R249 VanDerWaalsContact O-N 3.13Å; E246-H252 IonicContact OE1-CE1 2.72Å
247M94.4Very high85Confident0 Ų045.9 Ų45.90%025%0.252CS..Hα-helixtrans-61-36.7175.5-74-59.8-59.900112.7L193 L243 I244 R249 G250 H252 G255 L268 G269 R271L193-M247 HydrophobicContact CB-SD 3.9Å; L193-M247 HydrophobicContact CD2-CG 4.23Å; L193-M247 HydrophobicContact CD2-SD 4.03Å; L243-M247 HydrophobicContact CD2-CG 3.61Å; L243-M247 HydrophobicContact CG-CG 4.37Å; L243-M247 WeakPolarHBondContact O-CG 3.48Å; L243-M247 PolarHBondContact O-N 3.22Å; I244-M247 WeakPolarHBondContact O-CB 3.37Å; I244-M247 PolarHBondContact O-N 3.13Å; I244-M247 VanDerWaalsContact O-N 3.13Å; M247-R249 PolarHBondContact O-N 3.06Å; M247-G250 PolarHBondContact O-N 3.32Å; M247-H252 HydrophobicContact CE-CB 4.12Å; M247-H252 HydrophobicContact SD-CB 3.66Å; M247-G255 VanDerWaalsContact CE-N 3.29Å; M247-G255 VanDerWaalsContact SD-CA 3.52Å; M247-L268 HydrophobicContact CB-CD1 4.24Å; M247-L268 HydrophobicContact CE-CB 4.31Å; M247-L268 HydrophobicContact CG-CB 4.36Å; M247-L268 HydrophobicContact CG-CD1 3.82Å; M247-G269 WeakPolarHBondContact CE-O 3.12Å; M247-R271 VanDerWaalsContact O-CA 3.22Å; M247-R271 WeakPolarHBondContact O-CA 3.29Å; M247-R271 PolarHBondContact O-N 2.7Å
248E93.6Very high86.4Confident119 Ų11944.9 Ų44.956%0.55625%0.247SC*.Hα-helixtrans-60-24.5176.5-77.5177.8168.300113.1I244 E246 G250I244-E248 HydrophobicContact CG2-CG 4.43Å; I244-E248 WeakPolarHBondContact O-CG 3.28Å; I244-E248 PolarHBondContact O-N 2.75Å; E246-E248 VanDerWaalsContact C-N 3.3Å; E246-E248 PolarHBondContact O-N 3.15Å; E248-G250 PolarHBondContact O-N 3.14Å
249R94.7Very high88.1Confident181 Ų18143 Ų4368%0.68324%0.237SC*.THydrogen-bonded Turntrans-66.2-18.5175.4-59.7175.3179.7171.80.1112.9E246 M247E246-R249 VanDerWaalsContact O-CB 3.28Å; E246-R249 WeakPolarHBondContact O-CB 3.42Å; E246-R249 PolarHBondContact O-N 3.06Å; E246-R249 VanDerWaalsContact O-N 3.13Å; M247-R249 PolarHBondContact O-N 3.06Å
250G93.5Very high90Very high37 Ų3738.3 Ų38.338%0.38121%0.208SC..THydrogen-bonded Turntrans75.622.2175.300000114.7M247 E248M247-G250 PolarHBondContact O-N 3.32Å; E248-G250 PolarHBondContact O-N 3.14Å
251T95.1Very high91.9Very high82 Ų8232.1 Ų32.150%0.50318%0.179SC..  trans-87.6-15.4176.545.50000113.8
252H97.6Very high93.4Very high5 Ų531.5 Ų31.52%0.02318%0.175CC..  trans-121.6145.9-176-55.686.6000110.8R191 L193 D219 E246 M247R191-H252 HydrophobicContact CB-CB 4.39Å; L193-H252 HydrophobicContact CB-CB 4.23Å; D219-H252 IonicContact OD1-CD2 3.45Å; D219-H252 IonicContact OD1-CE1 2.7Å; D219-H252 IonicContact OD1-NE2 2.94Å; D219-H252 PolarHBondContact OD1-NE2 3.46Å; D219-H252 IonicContact OD2-CD2 3.17Å; D219-H252 IonicContact OD2-NE2 3.75Å; E246-H252 IonicContact OE1-CE1 2.72Å; M247-H252 HydrophobicContact CE-CB 4.12Å; M247-H252 HydrophobicContact SD-CB 3.66Å
253D98Very high94.1Very high12 Ų1228 Ų286%0.06415%0.146CC..SBendtrans-90.9-27.6-175.4-54.8-76.5000112.5K188 F190 R191 E270K188-D253 IonicContact NZ-OD1 2.74Å; K188-D253 PolarHBondContact NZ-OD1 2.73Å; F190-D253 WeakPolarHBondContact CA-OD2 3.46Å; F190-D253 HydrophobicContact CD1-CB 4.19Å; F190-D253 HydrophobicContact CD2-CB 3.76Å; F190-D253 HydrophobicContact CE1-CB 3.82Å; F190-D253 HydrophobicContact CE2-CB 3.35Å; F190-D253 HydrophobicContact CG-CB 4.17Å; F190-D253 HydrophobicContact CZ-CB 3.37Å; R191-D253 PolarHBondContact N-OD2 3.04Å; R191-D253 PolarHBondContact O-N 3.49Å; D253-E270 HydrophobicContact CB-CG 4.41Å; D253-E270 PolarHBondContact O-N 3.41Å
254L98.1Very high94.5Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-144.7136.7174.3-178.1150.2000110.8F190 R191 V192 L193 L268 V365 W368 L369 V379F190-L254 HydrophobicContact CE1-CB 3.9Å; F190-L254 HydrophobicContact CZ-CB 4.12Å; R191-L254 PolarHBondContact O-N 3.43Å; V192-L254 CarbonylContact C-O 3.52Å; V192-L254 VanDerWaalsContact CA-O 3.22Å; V192-L254 WeakPolarHBondContact CA-O 3.42Å; V192-L254 HydrophobicContact CG1-CB 4.42Å; V192-L254 HydrophobicContact CG1-CD2 4.5Å; L193-L254 PolarHBondContact N-O 2.8Å; L254-L268 CarbonylContact C-O 3.54Å; L254-L268 VanDerWaalsContact CA-O 3.31Å; L254-L268 WeakPolarHBondContact CA-O 3.35Å; L254-V365 HydrophobicContact CD2-CG1 4.2Å; L254-W368 HydrophobicContact CD1-CB 4.18Å; L254-L369 HydrophobicContact CD1-CD2 4.17Å; L254-V379 HydrophobicContact CD1-CG2 4.06Å
255G96.8Very high95Very high0 Ų029.1 Ų29.10%015%0.149CC..EExtended strand (participates in β ladder)trans-114.9146.9173.600000111.5L193 M247 L268L193-G255 CarbonylContact O-C 3.52Å; L193-G255 VanDerWaalsContact O-CA 3.24Å; L193-G255 WeakPolarHBondContact O-CA 3.18Å; M247-G255 VanDerWaalsContact CE-N 3.29Å; M247-G255 VanDerWaalsContact SD-CA 3.52Å; G255-L268 PolarHBondContact N-O 2.9Å; G255-L268 PolarHBondContact O-N 3.39Å
256A96.1Very high95.3Very high0 Ų025.2 Ų25.20%013%0.125CC..EExtended strand (participates in β ladder)trans-143.3143.4171.500000112.2L193 I194 D195 L243 F258 I266 I267 V365L193-A256 PolarHBondContact O-N 2.95Å; I194-A256 CarbonylContact C-O 3.55Å; I194-A256 WeakPolarHBondContact CA-O 3.12Å; I194-A256 HydrophobicContact CG1-CB 4.41Å; D195-A256 PolarHBondContact N-O 3.12Å; L243-A256 WeakPolarHBondContact CD1-O 3.41Å; A256-F258 HydrophobicContact CB-CE1 3.9Å; A256-F258 HydrophobicContact CB-CZ 4.19Å; A256-I266 VanDerWaalsContact CA-O 3.24Å; A256-I266 WeakPolarHBondContact CA-O 3.36Å; A256-I267 HydrophobicContact CB-CD1 4.31Å; A256-V365 HydrophobicContact CB-CG2 3.55Å
257V94.7Very high95.5Very high1 Ų123.7 Ų23.71%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-126.7133.1174.8-173.30000107.8D195 M197 T236 L243 S265 I266D195-V257 HydrophobicContact CB-CG1 4.42Å; D195-V257 HydrophobicContact CB-CG2 4.47Å; M197-V257 HydrophobicContact CG-CG1 3.65Å; M197-V257 HydrophobicContact SD-CG1 3.4Å; M197-V257 WeakPolarHBondContact SD-CG1 3.44Å; T236-V257 HydrophobicContact CG2-CG1 4.33Å; L243-V257 HydrophobicContact CB-CG2 4.1Å; L243-V257 HydrophobicContact CD1-CG2 4.08Å; L243-V257 HydrophobicContact CD2-CG2 3.89Å; L243-V257 HydrophobicContact CG-CG2 4.23Å; V257-S265 CarbonylContact O-C 3.52Å; V257-S265 VanDerWaalsContact O-CA 3.23Å; V257-S265 WeakPolarHBondContact O-CA 3.35Å; V257-I266 HydrophobicContact CB-CB 4.19Å; V257-I266 HydrophobicContact CB-CD1 4.26Å; V257-I266 HydrophobicContact CG2-CB 4.45Å; V257-I266 HydrophobicContact CG2-CD1 4.43Å; V257-I266 PolarHBondContact N-O 3.17Å; V257-I266 PolarHBondContact O-N 2.92Å
258F94.5Very high95.5Very high0 Ų023.8 Ų23.80%012%0.119CC..EExtended strand (participates in β ladder)trans-113.6147.8-178.4-56.3-32.8000112.3I194 D195 M197 T201 V205 A256 C361 I362 V365I194-F258 HydrophobicContact CG2-CD2 4.01Å; I194-F258 HydrophobicContact CG2-CE2 3.39Å; I194-F258 HydrophobicContact CG2-CZ 3.81Å; D195-F258 PolarHBondContact O-N 2.92Å; M197-F258 VanDerWaalsContact CG-O 3.32Å; M197-F258 WeakPolarHBondContact CG-O 3.42Å; M197-F258 VanDerWaalsContact SD-O 3.4Å; T201-F258 HydrophobicContact CG2-CB 4.06Å; T201-F258 HydrophobicContact CG2-CD2 4.21Å; T201-F258 HydrophobicContact CG2-CG 4.45Å; V205-F258 HydrophobicContact CG2-CD2 3.89Å; V205-F258 HydrophobicContact CG2-CE2 3.47Å; V205-F258 VanDerWaalsContact CG2-CE2 3.47Å; A256-F258 HydrophobicContact CB-CE1 3.9Å; A256-F258 HydrophobicContact CB-CZ 4.19Å; F258-C361 HydrophobicContact CD1-CB 3.5Å; F258-C361 VanDerWaalsContact CD1-CB 3.5Å; F258-C361 VanDerWaalsContact CD1-SG 3.6Å; F258-C361 HydrophobicContact CE1-CB 3.8Å; F258-C361 HydrophobicContact CG-CB 4.06Å; F258-C361 VanDerWaalsContact CG-SG 3.54Å; F258-I362 HydrophobicContact CE2-CG1 3.96Å; F258-I362 HydrophobicContact CZ-CG1 4.26Å; F258-V365 HydrophobicContact CE1-CG2 3.6Å; F258-V365 HydrophobicContact CZ-CB 4.44Å; F258-V365 HydrophobicContact CZ-CG2 3.66Å
259D94Very high95.7Very high0 Ų018.1 Ų18.10%09%0.092CC..  trans-77.9174.3170.677.7-32000112.1S87 P234 T236 D261 G262 D263 R264S87-D259 PolarHBondContact OG-OD2 3.29Å; P234-D259 WeakPolarHBondContact O-CA 3.45Å; T236-D259 HydrophobicContact CG2-CB 4.38Å; D259-D261 PolarHBondContact O-N 3.44Å; D259-G262 PolarHBondContact O-N 3.06Å; D259-G262 WeakPolarHBondContact OD1-CA 3.24Å; D259-G262 PolarHBondContact OD1-N 3.47Å; D259-D263 PolarHBondContact OD1-N 2.86Å; D259-R264 HydrophobicContact CB-CB 4.13Å; D259-R264 PolarHBondContact N-O 2.94Å; D259-R264 PolarHBondContact OD1-N 3.47Å; D259-R264 IonicContact OD2-NE 2.75Å
260A94.8Very high95.8Very high0 Ų011.5 Ų11.50%07%0.069CC..THydrogen-bonded Turntrans-60.3-38.8-169.600000114.5D32 S87 V200 F229 P234D32-A260 HydrophobicContact CB-CB 4.38Å; D32-A260 WeakPolarHBondContact CB-O 3.48Å; S87-A260 VanDerWaalsContact O-CB 3.24Å; S87-A260 WeakPolarHBondContact O-CB 3.48Å; V200-A260 WeakPolarHBondContact CG1-O 3.47Å; V200-A260 PolarHBondContact N-O 3.25Å; F229-A260 HydrophobicContact CD1-CB 4.45Å; F229-A260 HydrophobicContact CE1-CB 3.73Å; F229-A260 HydrophobicContact CE2-CB 4.33Å; F229-A260 HydrophobicContact CZ-CB 3.63Å; P234-A260 HydrophobicContact CB-CB 3.89Å; P234-A260 HydrophobicContact CG-CB 3.81Å
261D97.4Very high95.9Very high1 Ų117.2 Ų17.21%0.0058%0.079CC..THydrogen-bonded Turntrans-99.40.3-179.668.3-31.8000114.5D32 T65 T66 T85 S87 K100 D259D32-D261 HydrophobicContact CB-CB 4.37Å; T65-D261 CarbonylContact C-O 3.58Å; T65-D261 WeakPolarHBondContact CA-O 3.39Å; T65-D261 VanDerWaalsContact CB-O 3.31Å; T65-D261 WeakPolarHBondContact CB-O 3.22Å; T66-D261 WeakPolarHBondContact CB-OD2 3.46Å; T66-D261 PolarHBondContact N-O 3.06Å; T66-D261 WeakPolarHBondContact OG1-CB 3.48Å; T66-D261 PolarHBondContact OG1-OD2 2.78Å; T85-D261 HydrophobicContact CG2-CB 3.97Å; T85-D261 WeakPolarHBondContact OG1-CB 3.46Å; S87-D261 WeakPolarHBondContact CA-OD1 3.23Å; S87-D261 WeakPolarHBondContact CB-OD1 3.39Å; S87-D261 PolarHBondContact OG-OD1 3.18Å; K100-D261 IonicContact NZ-OD2 2.81Å; K100-D261 PolarHBondContact NZ-OD2 3.02Å; D259-D261 PolarHBondContact O-N 3.44Å
262G97Very high95.8Very high0 Ų014.1 Ų14.10%06%0.064CC..SBendtrans75.827.8170.900000115P67 D259 C361P67-G262 WeakPolarHBondContact CG-O 3.46Å; D259-G262 PolarHBondContact O-N 3.06Å; D259-G262 WeakPolarHBondContact OD1-CA 3.24Å; D259-G262 PolarHBondContact OD1-N 3.47Å; G262-C361 VanDerWaalsContact C-SG 3.51Å; G262-C361 WeakPolarHBondContact CA-SG 3.44Å; G262-C361 PolarHBondContact O-N 3.08Å; G262-C361 PolarHBondContact O-SG 3.12Å
263D96.3Very high95.6Very high4 Ų415.5 Ų15.52%0.0217%0.069CC..SBendtrans-101.6-3.8176.292.815.4000113.4T66 K100 D259 K359T66-D263 HydrophobicContact CG2-CB 4.33Å; K100-D263 IonicContact NZ-OD2 3.17Å; D259-D263 PolarHBondContact OD1-N 2.86Å; D263-K359 HydrophobicContact CB-CB 4.2Å; D263-K359 WeakPolarHBondContact O-CB 3.49Å; D263-K359 WeakPolarHBondContact O-CE 3.32Å; D263-K359 WeakPolarHBondContact OD1-CE 3.4Å; D263-K359 IonicContact OD1-NZ 3.46Å; D263-K359 PolarHBondContact OD1-NZ 2.75Å; D263-K359 IonicContact OD2-NZ 3.21Å; D263-K359 PolarHBondContact OD2-NZ 3.31Å
264R95.1Very high95.4Very high44 Ų4417.5 Ų17.517%0.1668%0.078CC..  trans-129.3150.5176.3-59.6171.9-157.9-171.23.5113.3S87 H88 D259 S348 L349 C361S87-R264 PolarHBondContact OG-NH2 3.23Å; H88-R264 PolarHBondContact CE1-NH1 3.32Å; H88-R264 VanDerWaalsContact CG-NH1 3.31Å; H88-R264 PolarHBondContact ND1-NH1 2.92Å; H88-R264 VanDerWaalsContact ND1-NH1 3.15Å; H88-R264 PolarHBondContact ND1-NH2 2.7Å; D259-R264 HydrophobicContact CB-CB 4.13Å; D259-R264 PolarHBondContact N-O 2.94Å; D259-R264 PolarHBondContact OD1-N 3.47Å; D259-R264 IonicContact OD2-NE 2.75Å; R264-S348 WeakPolarHBondContact CD-O 3.34Å; R264-L349 CarbonylContact C-O 3.56Å; R264-L349 VanDerWaalsContact CA-O 3.31Å; R264-L349 WeakPolarHBondContact CA-O 3.5Å; R264-L349 HydrophobicContact CB-CB 4.13Å; R264-C361 WeakPolarHBondContact O-CB 3.18Å
265S94Very high95.3Very high8 Ų817.7 Ų17.76%0.0568%0.079CC..EExtended strand (participates in β ladder)trans-144.1136.1173.256.60000113.2V257 L349V257-S265 CarbonylContact O-C 3.52Å; V257-S265 VanDerWaalsContact O-CA 3.23Å; V257-S265 WeakPolarHBondContact O-CA 3.35Å; S265-L349 PolarHBondContact N-O 3.08Å
266I93.8Very high95.2Very high0 Ų018.7 Ų18.70%09%0.085CC..EExtended strand (participates in β ladder)trans-79.2141.8152.3-74.5159000108.8T236 L238 A256 V257 L268 F274 L349T236-I266 WeakPolarHBondContact O-CD1 3.12Å; L238-I266 HydrophobicContact CD2-CD1 3.73Å; L238-I266 HydrophobicContact CD2-CG1 4.1Å; L238-I266 HydrophobicContact CD2-CG2 4.11Å; L238-I266 HydrophobicContact CG-CD1 4.4Å; A256-I266 VanDerWaalsContact CA-O 3.24Å; A256-I266 WeakPolarHBondContact CA-O 3.36Å; V257-I266 HydrophobicContact CB-CB 4.19Å; V257-I266 HydrophobicContact CB-CD1 4.26Å; V257-I266 HydrophobicContact CG2-CB 4.45Å; V257-I266 HydrophobicContact CG2-CD1 4.43Å; V257-I266 PolarHBondContact N-O 3.17Å; V257-I266 PolarHBondContact O-N 2.92Å; I266-L268 HydrophobicContact CG2-CD1 4.37Å; I266-L268 HydrophobicContact CG2-CD2 3.83Å; I266-L268 HydrophobicContact CG2-CG 3.77Å; I266-F274 HydrophobicContact CG1-CE2 4.36Å; I266-F274 HydrophobicContact CG2-CD2 4.21Å; I266-F274 HydrophobicContact CG2-CE2 3.98Å; I266-L349 HydrophobicContact CG1-CD1 4.17Å; I266-L349 HydrophobicContact CG1-CD2 4.4Å
267I95.5Very high95.1Very high3 Ų319.1 Ų19.12%0.0159%0.089CC..EExtended strand (participates in β ladder)trans-119.2129168.2-56.8-64.9000109.4A256 V275 V365 W368A256-I267 HydrophobicContact CB-CD1 4.31Å; I267-V275 HydrophobicContact CB-CB 4.27Å; I267-V275 HydrophobicContact CG2-CB 4.37Å; I267-V275 HydrophobicContact CG2-CG2 4.23Å; I267-V275 PolarHBondContact O-N 3.48Å; I267-V275 VanDerWaalsContact O-N 3.09Å; I267-V365 HydrophobicContact CD1-CG2 3.54Å; I267-W368 HydrophobicContact CG2-CD2 4.35Å; I267-W368 HydrophobicContact CG2-CG 4.26Å
268L95.9Very high95.2Very high2 Ų219.2 Ų19.21%0.019%0.089CC..EExtended strand (participates in β ladder)trans-121.2140.5176.7-57.6173.2000110.2L243 I244 M247 L254 G255 I266 F273 F274L243-L268 HydrophobicContact CD2-CD1 3.51Å; I244-L268 HydrophobicContact CG1-CD1 3.69Å; M247-L268 HydrophobicContact CB-CD1 4.24Å; M247-L268 HydrophobicContact CE-CB 4.31Å; M247-L268 HydrophobicContact CG-CB 4.36Å; M247-L268 HydrophobicContact CG-CD1 3.82Å; L254-L268 CarbonylContact C-O 3.54Å; L254-L268 VanDerWaalsContact CA-O 3.31Å; L254-L268 WeakPolarHBondContact CA-O 3.35Å; G255-L268 PolarHBondContact N-O 2.9Å; G255-L268 PolarHBondContact O-N 3.39Å; I266-L268 HydrophobicContact CG2-CD1 4.37Å; I266-L268 HydrophobicContact CG2-CD2 3.83Å; I266-L268 HydrophobicContact CG2-CG 3.77Å; L268-F273 CarbonylContact C-O 3.35Å; L268-F273 WeakPolarHBondContact CA-O 3.47Å; L268-F274 HydrophobicContact CD2-CB 4.18Å; L268-F274 HydrophobicContact CD2-CD2 3.78Å; L268-F274 HydrophobicContact CD2-CG 4.49Å
269G97.3Very high95.4Very high0 Ų019.5 Ų19.50%09%0.091CC..EExtended strand (participates in β ladder)trans-87.4-177.9163.100000112.5M247 G272 F273M247-G269 WeakPolarHBondContact CE-O 3.12Å; G269-G272 PolarHBondContact O-N 2.91Å; G269-F273 PolarHBondContact N-O 2.9Å; G269-F273 PolarHBondContact O-N 2.87Å
270E96.7Very high95.6Very high42 Ų4219.6 Ų19.620%0.1969%0.092CC..G310 helixtrans-43.4141.3169.5-68.9175118.500112.2D253 G272 F273 S378D253-E270 HydrophobicContact CB-CG 4.41Å; D253-E270 PolarHBondContact O-N 3.41Å; E270-G272 PolarHBondContact O-N 3.37Å; E270-F273 PolarHBondContact O-N 3.48Å; E270-S378 VanDerWaalsContact OE2-CB 3.23Å; E270-S378 WeakPolarHBondContact OE2-CB 3.38Å
271R95.4Very high95.7Very high158 Ų15819.7 Ų19.760%0.5969%0.092SC*.G310 helixtrans56.432.5177.9-62.4-178.9-75-94.2-6113.7M247 F273M247-R271 VanDerWaalsContact O-CA 3.22Å; M247-R271 WeakPolarHBondContact O-CA 3.29Å; M247-R271 PolarHBondContact O-N 2.7Å; R271-F273 VanDerWaalsContact C-N 3.35Å; R271-F273 PolarHBondContact O-N 3.04Å
272G92.6Very high95.7Very high17 Ų1719.6 Ų19.618%0.1759%0.092CC..G310 helixtrans73.122.4175.900000114.3G269 E270 F274G269-G272 PolarHBondContact O-N 2.91Å; E270-G272 PolarHBondContact O-N 3.37Å; G272-F274 PolarHBondContact O-N 3.42Å
273F94.7Very high95.8Very high33 Ų3319.7 Ų19.715%0.1459%0.092CC..EExtended strand (participates in β ladder)trans-63.4106.5178.5179.6-91000111.1L268 G269 E270 R271 V275 V379 E380 M383 W387L268-F273 CarbonylContact C-O 3.35Å; L268-F273 WeakPolarHBondContact CA-O 3.47Å; G269-F273 PolarHBondContact N-O 2.9Å; G269-F273 PolarHBondContact O-N 2.87Å; E270-F273 PolarHBondContact O-N 3.48Å; R271-F273 VanDerWaalsContact C-N 3.35Å; R271-F273 PolarHBondContact O-N 3.04Å; F273-V275 HydrophobicContact CD1-CG2 4.27Å; F273-V275 HydrophobicContact CE1-CG2 4.27Å; F273-V379 HydrophobicContact CD1-CG1 4.35Å; F273-E380 HydrophobicContact CB-CB 4.5Å; F273-E380 HydrophobicContact CD1-CB 4.04Å; F273-E380 HydrophobicContact CD2-CB 4.06Å; F273-E380 HydrophobicContact CD2-CG 3.77Å; F273-E380 HydrophobicContact CE1-CB 4.29Å; F273-E380 HydrophobicContact CE2-CB 4.3Å; F273-E380 HydrophobicContact CE2-CG 3.76Å; F273-E380 HydrophobicContact CG-CB 3.92Å; F273-E380 HydrophobicContact CG-CG 4.18Å; F273-E380 HydrophobicContact CZ-CB 4.4Å; F273-E380 HydrophobicContact CZ-CG 4.16Å; F273-M383 HydrophobicContact CE1-CB 3.78Å; F273-M383 HydrophobicContact CE1-CG 3.76Å; F273-M383 HydrophobicContact CZ-CB 3.9Å; F273-M383 HydrophobicContact CZ-CG 4.34Å; F273-W387 HydrophobicContact CE2-CH2 4.26Å; F273-W387 AromaticContact CZ-CH2 3.66Å; F273-W387 HydrophobicContact CZ-CH2 3.66Å; F273-W387 HydrophobicContact CZ-CZ2 4.48Å; F273-W387 HydrophobicContact CZ-CZ3 4.16Å
274F93.2Very high95.9Very high54 Ų5419.5 Ų19.524%0.2379%0.091CC..EExtended strand (participates in β ladder)trans-74.8131.6-176.3-178.2-113.4000113L238 I266 L268 G272 T276 L349L238-F274 HydrophobicContact CD1-CD1 3.93Å; L238-F274 HydrophobicContact CD1-CD2 3.82Å; L238-F274 HydrophobicContact CD1-CE1 3.72Å; L238-F274 HydrophobicContact CD1-CE2 3.67Å; L238-F274 HydrophobicContact CD1-CG 3.97Å; L238-F274 HydrophobicContact CD1-CZ 3.61Å; L238-F274 HydrophobicContact CD2-CD2 3.44Å; L238-F274 VanDerWaalsContact CD2-CD2 3.44Å; L238-F274 HydrophobicContact CD2-CE2 3.42Å; L238-F274 VanDerWaalsContact CD2-CE2 3.42Å; L238-F274 HydrophobicContact CD2-CG 4.3Å; L238-F274 HydrophobicContact CD2-CZ 4.2Å; L238-F274 HydrophobicContact CG-CD2 4.21Å; L238-F274 HydrophobicContact CG-CE2 3.94Å; L238-F274 HydrophobicContact CG-CZ 4.23Å; I266-F274 HydrophobicContact CG1-CE2 4.36Å; I266-F274 HydrophobicContact CG2-CD2 4.21Å; I266-F274 HydrophobicContact CG2-CE2 3.98Å; L268-F274 HydrophobicContact CD2-CB 4.18Å; L268-F274 HydrophobicContact CD2-CD2 3.78Å; L268-F274 HydrophobicContact CD2-CG 4.49Å; G272-F274 PolarHBondContact O-N 3.42Å; F274-T276 HydrophobicContact CD1-CG2 4.16Å; F274-T276 HydrophobicContact CE1-CG2 3.82Å; F274-L349 HydrophobicContact CZ-CD2 4.48Å
275V95.5Very high96Very high4 Ų417.4 Ų17.42%0.0248%0.083CC..EExtended strand (participates in β ladder)trans-106.4112.4171.9-1740000108.7I267 F273 D279 W368 V379 M383I267-V275 HydrophobicContact CB-CB 4.27Å; I267-V275 HydrophobicContact CG2-CB 4.37Å; I267-V275 HydrophobicContact CG2-CG2 4.23Å; I267-V275 PolarHBondContact O-N 3.48Å; I267-V275 VanDerWaalsContact O-N 3.09Å; F273-V275 HydrophobicContact CD1-CG2 4.27Å; F273-V275 HydrophobicContact CE1-CG2 4.27Å; V275-D279 HydrophobicContact CG1-CB 4.47Å; V275-W368 HydrophobicContact CG1-CH2 4.25Å; V275-W368 HydrophobicContact CG1-CZ2 3.68Å; V275-V379 HydrophobicContact CG2-CG1 3.4Å; V275-M383 HydrophobicContact CG1-CG 4.49Å; V275-M383 HydrophobicContact CG1-SD 4.01Å; V275-M383 HydrophobicContact CG2-CG 4.27Å
276T94.7Very high96.1Very high21 Ų2119.3 Ų19.313%0.1299%0.093CC..  trans-61.8147.7175.374.90000110.2F274 S278 D279 S280F274-T276 HydrophobicContact CD1-CG2 4.16Å; F274-T276 HydrophobicContact CE1-CG2 3.82Å; T276-S278 PolarHBondContact O-N 2.88Å; T276-D279 PolarHBondContact O-N 2.89Å; T276-D279 VanDerWaalsContact O-N 3.16Å; T276-D279 VanDerWaalsContact OG1-CB 3.29Å; T276-D279 WeakPolarHBondContact OG1-CB 3.43Å; T276-D279 PolarHBondContact OG1-N 2.64Å; T276-D279 VanDerWaalsContact OG1-N 3.07Å; T276-D279 PolarHBondContact OG1-OD2 2.83Å; T276-S280 WeakPolarHBondContact O-CB 3.42Å; T276-S280 PolarHBondContact O-N 2.87Å
277A94.6Very high96.2Very high10 Ų1019.4 Ų19.48%0.0839%0.094CC..Hα-helixtrans-59.9-33.9177.200000112.7S280 L281 D346 L349A277-S280 PolarHBondContact O-N 2.93Å; A277-L281 WeakPolarHBondContact O-CB 3.46Å; A277-L281 PolarHBondContact O-N 3.39Å; A277-D346 VanDerWaalsContact CB-O 3.31Å; A277-D346 WeakPolarHBondContact CB-O 3.35Å; A277-L349 HydrophobicContact CB-CD2 4.17Å
278S96.9Very high96.2Very high2 Ų219.6 Ų19.61%0.01410%0.095CC..Hα-helixtrans-62.8-46.3175.1-55.90000112.3T276 A282 T309 A310T276-S278 PolarHBondContact O-N 2.88Å; S278-A282 PolarHBondContact O-N 3.46Å; S278-T309 VanDerWaalsContact OG-CG2 3.31Å; S278-T309 WeakPolarHBondContact OG-CG2 3.26Å; S278-A310 WeakPolarHBondContact OG-CB 3.42Å; S278-A310 PolarHBondContact OG-N 3.12Å
279D97.4Very high96Very high6 Ų624.5 Ų24.53%0.03212%0.121CC..Hα-helixtrans-67.5-39.4175.1-88.2-39.2000111.6V275 T276 L281 A282 V283 M383 W387V275-D279 HydrophobicContact CG1-CB 4.47Å; T276-D279 PolarHBondContact O-N 2.89Å; T276-D279 VanDerWaalsContact O-N 3.16Å; T276-D279 VanDerWaalsContact OG1-CB 3.29Å; T276-D279 WeakPolarHBondContact OG1-CB 3.43Å; T276-D279 PolarHBondContact OG1-N 2.64Å; T276-D279 VanDerWaalsContact OG1-N 3.07Å; T276-D279 PolarHBondContact OG1-OD2 2.83Å; D279-L281 PolarHBondContact O-N 3.08Å; D279-A282 WeakPolarHBondContact O-CB 3.37Å; D279-A282 PolarHBondContact O-N 2.88Å; D279-A282 VanDerWaalsContact O-N 3.12Å; D279-V283 PolarHBondContact O-N 3.35Å; D279-M383 HydrophobicContact CB-CE 3.44Å; D279-M383 VanDerWaalsContact CB-CE 3.44Å; D279-M383 HydrophobicContact CB-SD 4.23Å; D279-M383 VanDerWaalsContact CG-CE 3.41Å; D279-W387 PolarHBondContact OD1-NE1 2.98Å; D279-W387 VanDerWaalsContact OD1-NE1 3.16Å; D279-W387 PolarHBondContact OD2-NE1 2.99Å
280S98Very high95.8Very high3 Ų325.2 Ų25.22%0.02113%0.125CC..Hα-helixtrans-58.6-48177.4179.70000111.1T276 A277 A282 V283 L284 I351 W368T276-S280 WeakPolarHBondContact O-CB 3.42Å; T276-S280 PolarHBondContact O-N 2.87Å; A277-S280 PolarHBondContact O-N 2.93Å; S280-A282 VanDerWaalsContact C-N 3.29Å; S280-A282 PolarHBondContact O-N 3.33Å; S280-V283 PolarHBondContact O-N 3.43Å; S280-L284 WeakPolarHBondContact O-CB 3.3Å; S280-L284 VanDerWaalsContact O-CG 3.3Å; S280-L284 WeakPolarHBondContact O-CG 3.12Å; S280-L284 PolarHBondContact O-N 3.15Å; S280-I351 WeakPolarHBondContact OG-CD1 3.46Å; S280-W368 PolarHBondContact OG-NE1 2.92Å
281L98.2Very high95.8Very high1 Ų123.3 Ų23.31%0.00512%0.116CC..Hα-helixtrans-57.3-42.9173.817861.2000111.7A277 D279 A285 R305 V313 L343 I351A277-L281 WeakPolarHBondContact O-CB 3.46Å; A277-L281 PolarHBondContact O-N 3.39Å; D279-L281 PolarHBondContact O-N 3.08Å; L281-A285 VanDerWaalsContact O-CB 3.3Å; L281-A285 WeakPolarHBondContact O-CB 3.46Å; L281-A285 PolarHBondContact O-N 2.9Å; L281-R305 HydrophobicContact CD2-CB 3.95Å; L281-V313 HydrophobicContact CD2-CB 4.2Å; L281-V313 HydrophobicContact CD2-CG1 3.88Å; L281-V313 HydrophobicContact CD2-CG2 4.45Å; L281-V313 HydrophobicContact CG-CB 4.09Å; L281-V313 HydrophobicContact CG-CG1 4.33Å; L281-V313 HydrophobicContact CG-CG2 4.12Å; L281-L343 HydrophobicContact CD1-CD1 4.43Å; L281-L343 HydrophobicContact CD1-CD2 4.06Å; L281-L343 HydrophobicContact CD1-CG 3.83Å; L281-I351 HydrophobicContact CB-CD1 4.22Å; L281-I351 HydrophobicContact CD1-CG2 4.34Å
282A98.1Very high95.8Very high0 Ų017.2 Ų17.20%010%0.097CC..Hα-helixtrans-67.1-42.2179.500000112.9S278 D279 S280 A285 D286 A312 V313 Q316S278-A282 PolarHBondContact O-N 3.46Å; D279-A282 WeakPolarHBondContact O-CB 3.37Å; D279-A282 PolarHBondContact O-N 2.88Å; D279-A282 VanDerWaalsContact O-N 3.12Å; S280-A282 VanDerWaalsContact C-N 3.29Å; S280-A282 PolarHBondContact O-N 3.33Å; A282-A285 PolarHBondContact O-N 3.33Å; A282-D286 WeakPolarHBondContact O-CB 3.35Å; A282-D286 PolarHBondContact O-N 3.12Å; A282-A312 HydrophobicContact CB-CB 3.63Å; A282-V313 HydrophobicContact CB-CB 4.36Å; A282-Q316 PolarHBondContact O-NE2 2.97Å
283V98Very high96Very high1 Ų117.4 Ų17.41%0.0069%0.093CC..Hα-helixtrans-66.9-40.7177.2167.90000111.8D279 S280 A285 D286 S287 W368 V371 I382 M383 H386D279-V283 PolarHBondContact O-N 3.35Å; S280-V283 PolarHBondContact O-N 3.43Å; V283-A285 VanDerWaalsContact C-N 3.31Å; V283-D286 PolarHBondContact O-N 3.25Å; V283-S287 WeakPolarHBondContact O-CB 3.42Å; V283-S287 PolarHBondContact O-N 3.02Å; V283-S287 PolarHBondContact O-OG 2.94Å; V283-W368 HydrophobicContact CB-CH2 4.02Å; V283-W368 HydrophobicContact CB-CZ2 4.04Å; V283-W368 HydrophobicContact CG1-CH2 3.61Å; V283-W368 HydrophobicContact CG1-CZ2 3.98Å; V283-W368 HydrophobicContact CG1-CZ3 4.09Å; V283-W368 HydrophobicContact CG2-CH2 4.26Å; V283-V371 HydrophobicContact CG1-CG1 4.48Å; V283-I382 HydrophobicContact CG1-CG2 3.64Å; V283-M383 HydrophobicContact CB-SD 4.48Å; V283-M383 HydrophobicContact CG2-CE 4.31Å; V283-M383 HydrophobicContact CG2-SD 3.41Å; V283-M383 WeakPolarHBondContact CG2-SD 3.47Å; V283-H386 HydrophobicContact CG2-CB 3.91Å
284L97.9Very high96Very high0 Ų016.3 Ų16.30%09%0.088CC..Hα-helixtrans-66.6-36.2176.2-66.6-179.3000111.4S280 S287 I288 L343 I351 W363 A367 V371S280-L284 WeakPolarHBondContact O-CB 3.3Å; S280-L284 VanDerWaalsContact O-CG 3.3Å; S280-L284 WeakPolarHBondContact O-CG 3.12Å; S280-L284 PolarHBondContact O-N 3.15Å; L284-S287 CarbonylContact O-C 3.57Å; L284-S287 PolarHBondContact O-N 2.84Å; L284-I288 WeakPolarHBondContact O-CA 3.49Å; L284-I288 PolarHBondContact O-N 3.34Å; L284-L343 HydrophobicContact CB-CD2 4.2Å; L284-I351 HydrophobicContact CD1-CD1 4.39Å; L284-I351 HydrophobicContact CD1-CG2 4.11Å; L284-W363 HydrophobicContact CD1-CH2 4.4Å; L284-W363 HydrophobicContact CD1-CZ3 4.09Å; L284-A367 HydrophobicContact CD1-CB 4.24Å; L284-A367 HydrophobicContact CD2-CB 3.79Å; L284-V371 HydrophobicContact CD2-CG2 4.06Å
285A97.4Very high96Very high0 Ų020.3 Ų20.30%011%0.105CC..Hα-helixtrans-63.9-45.1171.700000111.9L281 A282 V283 S287 I288 F303 V313 Q316 L318 L343L281-A285 VanDerWaalsContact O-CB 3.3Å; L281-A285 WeakPolarHBondContact O-CB 3.46Å; L281-A285 PolarHBondContact O-N 2.9Å; A282-A285 PolarHBondContact O-N 3.33Å; V283-A285 VanDerWaalsContact C-N 3.31Å; A285-S287 PolarHBondContact O-N 3.45Å; A285-I288 VanDerWaalsContact O-CB 3.32Å; A285-I288 WeakPolarHBondContact O-CB 3.11Å; A285-I288 WeakPolarHBondContact O-CG2 3.38Å; A285-I288 PolarHBondContact O-N 2.9Å; A285-F303 HydrophobicContact CB-CD1 4.03Å; A285-F303 HydrophobicContact CB-CE1 3.63Å; A285-F303 HydrophobicContact CB-CE2 4.25Å; A285-F303 HydrophobicContact CB-CZ 3.76Å; A285-V313 HydrophobicContact CB-CG2 3.87Å; A285-Q316 HydrophobicContact CB-CG 3.82Å; A285-L318 WeakPolarHBondContact O-CD1 3.2Å; A285-L343 HydrophobicContact CB-CD2 3.89Å
286D96.1Very high95.8Very high49 Ų4925.3 Ų25.326%0.26214%0.136SC..Hα-helixtrans-63.9-25.6176.9-174.242.3000112.9A282 V283 H386 F390A282-D286 WeakPolarHBondContact O-CB 3.35Å; A282-D286 PolarHBondContact O-N 3.12Å; V283-D286 PolarHBondContact O-N 3.25Å; D286-H386 IonicContact OD2-ND1 3.21Å; D286-H386 PolarHBondContact OD2-ND1 2.97Å; D286-F390 HydrophobicContact CB-CE2 4.43Å; D286-F390 WeakPolarHBondContact OD1-CZ 3.17Å
287S95.9Very high95.6Very high2 Ų226.6 Ų26.61%0.01414%0.142CC..THydrogen-bonded Turntrans-107.314.8-179.4-56.10000113.2V283 L284 A285 D289 T290 R375V283-S287 WeakPolarHBondContact O-CB 3.42Å; V283-S287 PolarHBondContact O-N 3.02Å; V283-S287 PolarHBondContact O-OG 2.94Å; L284-S287 CarbonylContact O-C 3.57Å; L284-S287 PolarHBondContact O-N 2.84Å; A285-S287 PolarHBondContact O-N 3.45Å; S287-D289 PolarHBondContact O-N 3.28Å; S287-T290 WeakPolarHBondContact O-CB 3.41Å; S287-T290 PolarHBondContact O-N 2.83Å; S287-T290 PolarHBondContact O-OG1 3.22Å; S287-R375 PolarHBondContact OG-NH2 2.67Å
288I95.7Very high95.3Very high7 Ų731.6 Ų31.64%0.03618%0.176CC..G310 helixtrans-61.1-31.6-172.7-164.8157.4000112.9L284 A285 T290 L291 F294 V300 F303 L318 L343L284-I288 WeakPolarHBondContact O-CA 3.49Å; L284-I288 PolarHBondContact O-N 3.34Å; A285-I288 VanDerWaalsContact O-CB 3.32Å; A285-I288 WeakPolarHBondContact O-CB 3.11Å; A285-I288 WeakPolarHBondContact O-CG2 3.38Å; A285-I288 PolarHBondContact O-N 2.9Å; I288-T290 PolarHBondContact O-N 2.58Å; I288-L291 PolarHBondContact O-N 2.87Å; I288-F294 HydrophobicContact CD1-CD1 3.74Å; I288-F294 HydrophobicContact CD1-CD2 4.4Å; I288-F294 HydrophobicContact CD1-CE1 3.76Å; I288-F294 HydrophobicContact CD1-CE2 4.38Å; I288-F294 HydrophobicContact CD1-CG 4.06Å; I288-F294 HydrophobicContact CD1-CZ 4.06Å; I288-F294 HydrophobicContact CG1-CB 4.04Å; I288-F294 HydrophobicContact CG1-CD1 3.84Å; I288-F294 HydrophobicContact CG1-CD2 3.75Å; I288-F294 HydrophobicContact CG1-CE1 4.16Å; I288-F294 HydrophobicContact CG1-CE2 4.05Å; I288-F294 HydrophobicContact CG1-CG 3.6Å; I288-F294 HydrophobicContact CG1-CZ 4.24Å; I288-V300 HydrophobicContact CD1-CB 4.45Å; I288-V300 HydrophobicContact CD1-CG1 3.52Å; I288-V300 HydrophobicContact CD1-CG2 4.03Å; I288-V300 HydrophobicContact CG1-CG1 4.44Å; I288-V300 HydrophobicContact CG1-CG2 4.12Å; I288-F303 HydrophobicContact CD1-CE1 3.71Å; I288-F303 HydrophobicContact CD1-CZ 4.35Å; I288-L318 HydrophobicContact CG2-CD1 3.88Å; I288-L343 HydrophobicContact CD1-CB 4.19Å; I288-L343 HydrophobicContact CD1-CD2 4.35Å
289D92.4Very high94.8Very high104 Ų10435 Ų3556%0.55619%0.194SC*.G310 helixtrans-69.3-13.5176.373.3-33.1000113.1S287 K295S287-D289 PolarHBondContact O-N 3.28Å; D289-K295 WeakPolarHBondContact O-CE 3.4Å; D289-K295 PolarHBondContact O-NZ 2.81Å
290T93.6Very high94.7Very high15 Ų1536.2 Ų36.29%0.09220%0.202CC..G310 helixtrans-90.8-18.9176.674.30000113S287 I288S287-T290 WeakPolarHBondContact O-CB 3.41Å; S287-T290 PolarHBondContact O-N 2.83Å; S287-T290 PolarHBondContact O-OG1 3.22Å; I288-T290 PolarHBondContact O-N 2.58Å
291L96.1Very high94.5Very high2 Ų240.1 Ų40.11%0.0122%0.218CC..SBendtrans-83.7119.7-174.2-66.4177.3000110.7I288 Y293 F294 A367 T370I288-L291 PolarHBondContact O-N 2.87Å; L291-Y293 PolarHBondContact O-N 2.94Å; L291-F294 HydrophobicContact CB-CD2 3.54Å; L291-F294 HydrophobicContact CB-CE2 3.98Å; L291-F294 HydrophobicContact CD1-CD2 3.99Å; L291-F294 HydrophobicContact CD1-CE2 3.6Å; L291-F294 HydrophobicContact CG-CD2 4.41Å; L291-F294 HydrophobicContact CG-CE2 4.45Å; L291-F294 PolarHBondContact O-N 3.01Å; L291-A367 HydrophobicContact CD1-CB 4.41Å; L291-A367 HydrophobicContact CD2-CB 4Å; L291-T370 HydrophobicContact CD2-CG2 3.91Å
292P94.4Very high94.3Very high30 Ų3040 Ų4020%0.19522%0.218CC..Hα-helixtrans-58.2-41.4-169.8-26.834.4000114.8D173 F294 K295 T296D173-P292 HydrophobicContact CB-CG 3.98Å; P292-F294 VanDerWaalsContact C-N 3.3Å; P292-F294 PolarHBondContact O-N 3.05Å; P292-K295 WeakPolarHBondContact O-CB 3.46Å; P292-K295 PolarHBondContact O-N 2.93Å; P292-T296 PolarHBondContact O-N 2.84Å
293Y96.2Very high94.3Very high22 Ų2240.1 Ų40.19%0.08622%0.218CC..Hα-helixtrans-50.6-48.1177.6174.5-117.1000112.9I171 L291 K295 T296 L297 S354 Y355I171-Y293 HydrophobicContact CB-CD2 4.41Å; I171-Y293 HydrophobicContact CG2-CD2 4.15Å; I171-Y293 PolarHBondContact O-N 3.22Å; L291-Y293 PolarHBondContact O-N 2.94Å; Y293-K295 PolarHBondContact O-N 3.13Å; Y293-T296 WeakPolarHBondContact O-CB 3.49Å; Y293-T296 PolarHBondContact O-N 3.46Å; Y293-T296 PolarHBondContact O-OG1 3.5Å; Y293-L297 HydrophobicContact CE1-CD1 4.01Å; Y293-L297 HydrophobicContact CE2-CD2 4.14Å; Y293-S354 PolarHBondContact OH-OG 2.79Å; Y293-S354 VanDerWaalsContact OH-OG 3.07Å; Y293-Y355 WeakPolarHBondContact OH-CA 3.38Å; Y293-Y355 PolarHBondContact OH-N 3.34Å; Y293-Y355 VanDerWaalsContact OH-N 3.15Å
294F95.8Very high94.2Very high9 Ų940.1 Ų40.14%0.03922%0.218CC..Hα-helixtrans-70-21.8-176.1-61.1-83.6000112.7I288 L291 P292 T296 L297 V300 L343 C353 W363I288-F294 HydrophobicContact CD1-CD1 3.74Å; I288-F294 HydrophobicContact CD1-CD2 4.4Å; I288-F294 HydrophobicContact CD1-CE1 3.76Å; I288-F294 HydrophobicContact CD1-CE2 4.38Å; I288-F294 HydrophobicContact CD1-CG 4.06Å; I288-F294 HydrophobicContact CD1-CZ 4.06Å; I288-F294 HydrophobicContact CG1-CB 4.04Å; I288-F294 HydrophobicContact CG1-CD1 3.84Å; I288-F294 HydrophobicContact CG1-CD2 3.75Å; I288-F294 HydrophobicContact CG1-CE1 4.16Å; I288-F294 HydrophobicContact CG1-CE2 4.05Å; I288-F294 HydrophobicContact CG1-CG 3.6Å; I288-F294 HydrophobicContact CG1-CZ 4.24Å; L291-F294 HydrophobicContact CB-CD2 3.54Å; L291-F294 HydrophobicContact CB-CE2 3.98Å; L291-F294 HydrophobicContact CD1-CD2 3.99Å; L291-F294 HydrophobicContact CD1-CE2 3.6Å; L291-F294 HydrophobicContact CG-CD2 4.41Å; L291-F294 HydrophobicContact CG-CE2 4.45Å; L291-F294 PolarHBondContact O-N 3.01Å; P292-F294 VanDerWaalsContact C-N 3.3Å; P292-F294 PolarHBondContact O-N 3.05Å; F294-T296 VanDerWaalsContact C-N 3.27Å; F294-T296 PolarHBondContact O-N 2.99Å; F294-L297 HydrophobicContact CD1-CD1 4.04Å; F294-L297 PolarHBondContact O-N 3.46Å; F294-V300 HydrophobicContact CB-CG2 4.09Å; F294-V300 HydrophobicContact CD1-CG2 4.31Å; F294-L343 HydrophobicContact CE1-CB 4.38Å; F294-L343 HydrophobicContact CZ-CB 4.27Å; F294-L343 HydrophobicContact CZ-CD1 4.36Å; F294-C353 HydrophobicContact CE1-CB 4.03Å; F294-C353 HydrophobicContact CZ-CB 3.54Å; F294-W363 AromaticContact CE2-CZ2 3.92Å; F294-W363 HydrophobicContact CE2-CZ2 3.92Å; F294-W363 HydrophobicContact CZ-CH2 4.49Å; F294-W363 HydrophobicContact CZ-CZ2 4.06Å
295K92.8Very high94.2Very high138 Ų13840.4 Ų40.460%0.622%0.219SC*.Hα-helixtrans-72.7-19.6170.7-60-174.7177.8-175.70113.4D289 P292 Y293 L297D289-K295 WeakPolarHBondContact O-CE 3.4Å; D289-K295 PolarHBondContact O-NZ 2.81Å; P292-K295 WeakPolarHBondContact O-CB 3.46Å; P292-K295 PolarHBondContact O-N 2.93Å; Y293-K295 PolarHBondContact O-N 3.13Å; K295-L297 VanDerWaalsContact C-N 3.35Å
296T91.6Very high94.1Very high109 Ų10940.4 Ų40.467%0.66922%0.219SC*.Hα-helixtrans-83.2-16.5175.373.20000112.5P292 Y293 F294P292-T296 PolarHBondContact O-N 2.84Å; Y293-T296 WeakPolarHBondContact O-CB 3.49Å; Y293-T296 PolarHBondContact O-N 3.46Å; Y293-T296 PolarHBondContact O-OG1 3.5Å; F294-T296 VanDerWaalsContact C-N 3.27Å; F294-T296 PolarHBondContact O-N 2.99Å
297L91.3Very high94.1Very high49 Ų4938.2 Ų38.226%0.25721%0.207SC..SBendtrans-78.1151.6174.2-54.9-178.6000109.5Y293 F294 K295 D299Y293-L297 HydrophobicContact CE1-CD1 4.01Å; Y293-L297 HydrophobicContact CE2-CD2 4.14Å; F294-L297 HydrophobicContact CD1-CD1 4.04Å; F294-L297 PolarHBondContact O-N 3.46Å; K295-L297 VanDerWaalsContact C-N 3.35Å; L297-D299 PolarHBondContact O-N 3.34Å
298S86.6Confident94.1Very high115 Ų11538.1 Ų38.180%0.80421%0.207SC*.SBendtrans-59.1-34.9173.147.80000112.1
299D88.4Confident94.2Very high72 Ų7237.8 Ų37.839%0.38521%0.205SC..  trans-166.7147.9-175.853.5-38.4000109.6L297 K301L297-D299 PolarHBondContact O-N 3.34Å; D299-K301 WeakPolarHBondContact OD1-CE 3.28Å; D299-K301 IonicContact OD1-NZ 2.66Å; D299-K301 PolarHBondContact OD1-NZ 3.43Å; D299-K301 WeakPolarHBondContact OD2-CD 3.15Å; D299-K301 WeakPolarHBondContact OD2-CE 3Å; D299-K301 IonicContact OD2-NZ 2.74Å; D299-K301 PolarHBondContact OD2-NZ 3.05Å
300V93.4Very high94.4Very high33 Ų3332.9 Ų32.920%0.218%0.179CC..  trans-76.6122.1166178.20000107.5I288 F294 L320I288-V300 HydrophobicContact CD1-CB 4.45Å; I288-V300 HydrophobicContact CD1-CG1 3.52Å; I288-V300 HydrophobicContact CD1-CG2 4.03Å; I288-V300 HydrophobicContact CG1-CG1 4.44Å; I288-V300 HydrophobicContact CG1-CG2 4.12Å; F294-V300 HydrophobicContact CB-CG2 4.09Å; F294-V300 HydrophobicContact CD1-CG2 4.31Å; V300-L320 HydrophobicContact CB-CD1 4.11Å; V300-L320 HydrophobicContact CG1-CD1 3.6Å; V300-L320 WeakPolarHBondContact O-CD2 3.05Å
301K93.7Very high94.6Very high84 Ų8432.3 Ų32.337%0.36518%0.176SC..  trans-80.5-42-170.1-58.5-59.5-173.2176.80113.4D299 G339 L340 S342D299-K301 WeakPolarHBondContact OD1-CE 3.28Å; D299-K301 IonicContact OD1-NZ 2.66Å; D299-K301 PolarHBondContact OD1-NZ 3.43Å; D299-K301 WeakPolarHBondContact OD2-CD 3.15Å; D299-K301 WeakPolarHBondContact OD2-CE 3Å; D299-K301 IonicContact OD2-NZ 2.74Å; D299-K301 PolarHBondContact OD2-NZ 3.05Å; K301-G339 WeakPolarHBondContact CB-O 3.26Å; K301-G339 WeakPolarHBondContact CD-O 3.31Å; K301-G339 WeakPolarHBondContact CG-O 3.41Å; K301-L340 CarbonylContact C-O 3.57Å; K301-S342 PolarHBondContact N-OG 3.03Å
302G95.4Very high94.6Very high0 Ų032.4 Ų32.40%018%0.177CC..  trans166.7180-17400000112.3T321 L340 S342 L343G302-T321 WeakPolarHBondContact CA-O 3.26Å; G302-L340 WeakPolarHBondContact CA-O 3.47Å; G302-L340 PolarHBondContact N-O 2.88Å; G302-S342 PolarHBondContact O-N 3.02Å; G302-L343 PolarHBondContact O-N 3.04Å
303F97.2Very high94.8Very high2 Ų231 Ų311%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-115.2157.7179.1-55.2-59000110.4A285 I288 V313 Q316 L318 L320 T321 C322 F323 L343A285-F303 HydrophobicContact CB-CD1 4.03Å; A285-F303 HydrophobicContact CB-CE1 3.63Å; A285-F303 HydrophobicContact CB-CE2 4.25Å; A285-F303 HydrophobicContact CB-CZ 3.76Å; I288-F303 HydrophobicContact CD1-CE1 3.71Å; I288-F303 HydrophobicContact CD1-CZ 4.35Å; F303-V313 HydrophobicContact CB-CG2 3.98Å; F303-V313 HydrophobicContact CD2-CG2 4.3Å; F303-V313 HydrophobicContact CG-CG2 4.03Å; F303-Q316 HydrophobicContact CE2-CB 4.4Å; F303-Q316 HydrophobicContact CE2-CG 4.49Å; F303-L318 HydrophobicContact CE2-CD1 4.11Å; F303-L318 HydrophobicContact CZ-CD1 3.76Å; F303-L320 HydrophobicContact CD2-CB 4.19Å; F303-L320 HydrophobicContact CE2-CB 3.89Å; F303-L320 HydrophobicContact CE2-CD1 3.8Å; F303-L320 HydrophobicContact CE2-CG 4.46Å; F303-L320 HydrophobicContact CZ-CD1 3.77Å; F303-T321 PolarHBondContact N-O 3.46Å; F303-C322 HydrophobicContact CB-CB 4.17Å; F303-C322 CarbonylContact O-C 3.54Å; F303-C322 VanDerWaalsContact O-CA 3.32Å; F303-C322 WeakPolarHBondContact O-CA 3.32Å; F303-F323 WeakPolarHBondContact O-CD2 3.47Å; F303-F323 PolarHBondContact O-N 3.39Å; F303-L343 CarbonylContact C-O 3.54Å; F303-L343 VanDerWaalsContact CA-O 3.25Å; F303-L343 WeakPolarHBondContact CA-O 2.98Å; F303-L343 HydrophobicContact CD1-CB 3.95Å; F303-L343 HydrophobicContact CD1-CD2 4.09Å; F303-L343 HydrophobicContact CD1-CG 4.42Å; F303-L343 HydrophobicContact CE1-CB 4.23Å; F303-L343 HydrophobicContact CE1-CD2 4.04Å
304A97Very high94.7Very high0 Ų033 Ų330%018%0.18CC..EExtended strand (participates in β ladder)trans-140.9148164.900000111.8F323 F332 L335 V341 L343 F344 G345A304-F323 CarbonylContact C-O 3.58Å; A304-F323 WeakPolarHBondContact CA-O 3.35Å; A304-F323 HydrophobicContact CB-CB 4.08Å; A304-F332 HydrophobicContact CB-CD1 3.7Å; A304-F332 HydrophobicContact CB-CE1 3.74Å; A304-L335 HydrophobicContact CB-CD1 4.1Å; A304-V341 HydrophobicContact CB-CG1 3.96Å; A304-V341 HydrophobicContact CB-CG2 3.79Å; A304-L343 PolarHBondContact N-O 2.81Å; A304-F344 HydrophobicContact CB-CB 4.02Å; A304-F344 WeakPolarHBondContact O-CA 3.09Å; A304-G345 PolarHBondContact O-N 3.16Å; A304-G345 VanDerWaalsContact O-N 3.14Å
305R97.5Very high94.6Very high7 Ų736 Ų363%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-135.5154.1169.163.5167.3176.5749.8111L281 M307 T309 A310 V313 D314 F323 E324 V325 G345L281-R305 HydrophobicContact CD2-CB 3.95Å; R305-M307 PolarHBondContact NH1-O 2.97Å; R305-T309 HydrophobicContact CB-CG2 4.03Å; R305-T309 PolarHBondContact NH1-O 2.84Å; R305-A310 WeakPolarHBondContact CD-O 3.47Å; R305-V313 HydrophobicContact CB-CG1 4.23Å; R305-V313 HydrophobicContact CG-CG1 4.15Å; R305-D314 IonicContact CZ-OD1 2.77Å; R305-D314 IonicContact CZ-OD2 3.98Å; R305-D314 IonicContact NE-OD1 2.84Å; R305-D314 PolarHBondContact NE-OD1 2.88Å; R305-D314 IonicContact NE-OD2 3.02Å; R305-D314 PolarHBondContact NE-OD2 3.03Å; R305-D314 IonicContact NH2-OD1 2.77Å; R305-D314 IonicContact NH2-OD2 3.68Å; R305-D314 PolarHBondContact NH2-OD2 3.45Å; R305-F323 PolarHBondContact N-O 3.31Å; R305-E324 IonicContact CZ-OE1 2.81Å; R305-E324 IonicContact NH1-OE1 2.78Å; R305-E324 PolarHBondContact NH1-OE1 3.17Å; R305-E324 IonicContact NH2-OE1 3.8Å; R305-E324 PolarHBondContact NH2-OE1 3.32Å; R305-E324 WeakPolarHBondContact O-CA 3.48Å; R305-V325 PolarHBondContact O-N 3.2Å; R305-G345 VanDerWaalsContact CA-O 3.25Å; R305-G345 WeakPolarHBondContact CA-O 3.35Å
306S95.9Very high94.2Very high0 Ų030.5 Ų30.50%017%0.167CC..EExtended strand (participates in β ladder)trans-66.8149.8167.576.50000109.6T309 V325 G345 D346S306-T309 WeakPolarHBondContact O-CB 3.23Å; S306-T309 PolarHBondContact O-N 3.02Å; S306-T309 PolarHBondContact O-OG1 3.3Å; S306-T309 PolarHBondContact OG-OG1 3.28Å; S306-V325 CarbonylContact C-O 3.45Å; S306-V325 VanDerWaalsContact CA-O 3.25Å; S306-V325 WeakPolarHBondContact CA-O 3.5Å; S306-G345 PolarHBondContact N-O 2.85Å; S306-D346 WeakPolarHBondContact OG-CB 3.47Å
307M95.5Very high93.6Very high2 Ų232.8 Ų32.81%0.0117%0.168CC..THydrogen-bonded Turntrans-49.3-47.3180179.8-83-71.900114.5R305 T309 E324 V325 F444 R456 I466 R468R305-M307 PolarHBondContact NH1-O 2.97Å; M307-T309 PolarHBondContact O-N 2.98Å; M307-E324 HydrophobicContact CB-CG 3.92Å; M307-E324 HydrophobicContact CG-CG 4.25Å; M307-V325 PolarHBondContact N-O 3.33Å; M307-F444 HydrophobicContact CB-CD1 3.84Å; M307-F444 HydrophobicContact CB-CE1 3.69Å; M307-F444 HydrophobicContact CB-CG 4.42Å; M307-F444 HydrophobicContact CB-CZ 4.12Å; M307-F444 HydrophobicContact CE-CB 4.07Å; M307-F444 HydrophobicContact CE-CD1 4.06Å; M307-F444 HydrophobicContact CE-CG 4.32Å; M307-F444 HydrophobicContact CG-CB 4.28Å; M307-F444 HydrophobicContact CG-CD1 3.65Å; M307-F444 HydrophobicContact CG-CD2 4.11Å; M307-F444 HydrophobicContact CG-CE1 3.94Å; M307-F444 HydrophobicContact CG-CE2 4.33Å; M307-F444 HydrophobicContact CG-CG 3.75Å; M307-F444 HydrophobicContact CG-CZ 4.26Å; M307-R456 HydrophobicContact CE-CG 4.45Å; M307-R456 HydrophobicContact CG-CG 4.48Å; M307-R456 WeakPolarHBondContact SD-CD 3.4Å; M307-R456 HydrophobicContact SD-CG 3.75Å; M307-I466 HydrophobicContact CE-CG2 3.87Å; M307-I466 WeakPolarHBondContact O-CD1 3.34Å; M307-I466 HydrophobicContact SD-CB 4.49Å; M307-I466 HydrophobicContact SD-CD1 3.82Å; M307-I466 HydrophobicContact SD-CG1 4.23Å; M307-I466 HydrophobicContact SD-CG2 3.51Å; M307-I466 VanDerWaalsContact SD-CG2 3.51Å; M307-R468 HydrophobicContact CE-CG 4.43Å
308P95.9Very high93.1Very high0 Ų034 Ų340%017%0.174CC..THydrogen-bonded Turntrans-67.7-20.417826.2-35.1000114.1S327 E347 F395 Y482P308-S327 WeakPolarHBondContact CG-OG 3.35Å; P308-E347 HydrophobicContact CB-CG 4.22Å; P308-E347 HydrophobicContact CG-CG 4.22Å; P308-F395 WeakPolarHBondContact O-CE2 3.45Å; P308-Y482 HydrophobicContact CB-CD1 3.65Å; P308-Y482 HydrophobicContact CB-CD2 4.03Å; P308-Y482 HydrophobicContact CB-CE1 3.49Å; P308-Y482 VanDerWaalsContact CB-CE1 3.49Å; P308-Y482 HydrophobicContact CB-CE2 3.93Å; P308-Y482 HydrophobicContact CB-CG 3.89Å; P308-Y482 HydrophobicContact CG-CE1 4.29Å
309T97Very high93.1Very high1 Ų136.2 Ų36.21%0.00618%0.177CC..SBendtrans-62.3139.1-178.4-540000111.1S278 R305 S306 M307 D346 E347 R464S278-T309 VanDerWaalsContact OG-CG2 3.31Å; S278-T309 WeakPolarHBondContact OG-CG2 3.26Å; R305-T309 HydrophobicContact CB-CG2 4.03Å; R305-T309 PolarHBondContact NH1-O 2.84Å; S306-T309 WeakPolarHBondContact O-CB 3.23Å; S306-T309 PolarHBondContact O-N 3.02Å; S306-T309 PolarHBondContact O-OG1 3.3Å; S306-T309 PolarHBondContact OG-OG1 3.28Å; M307-T309 PolarHBondContact O-N 2.98Å; T309-D346 VanDerWaalsContact OG1-CA 3.29Å; T309-D346 WeakPolarHBondContact OG1-CA 3.39Å; T309-E347 HydrophobicContact CG2-CB 4.4Å; T309-E347 PolarHBondContact OG1-N 3.02Å; T309-R464 PolarHBondContact O-NH2 2.84Å
310A97.4Very high93.3Very high0 Ų035.6 Ų35.60%017%0.174CC..  trans-56.9145.2-179.100000111.2S278 R305 A312 N393 F395 D484S278-A310 WeakPolarHBondContact OG-CB 3.42Å; S278-A310 PolarHBondContact OG-N 3.12Å; R305-A310 WeakPolarHBondContact CD-O 3.47Å; A310-A312 PolarHBondContact O-N 3.15Å; A310-N393 HydrophobicContact CB-CB 4.14Å; A310-F395 HydrophobicContact CB-CB 3.82Å; A310-F395 HydrophobicContact CB-CD2 3.51Å; A310-F395 HydrophobicContact CB-CE2 4.29Å; A310-F395 HydrophobicContact CB-CG 3.86Å; A310-D484 WeakPolarHBondContact CA-OD2 3.41Å
311A96.6Very high93.3Very high4 Ų437.9 Ų37.93%0.03319%0.188CC..THydrogen-bonded Turntrans-80.130.3-175.100000112.6D314 D484A311-D314 WeakPolarHBondContact CA-OD1 3.44Å; A311-D314 HydrophobicContact CB-CB 4.19Å; A311-D314 WeakPolarHBondContact O-CB 3.41Å; A311-D314 PolarHBondContact O-N 2.85Å; A311-D484 PolarHBondContact N-OD2 3.07Å
312A97.6Very high93.4Very high3 Ų335.4 Ų35.43%0.02518%0.181CC..THydrogen-bonded Turntrans-64.9-43.6-18000000111.1A282 A310 D314 R315 N393A282-A312 HydrophobicContact CB-CB 3.63Å; A310-A312 PolarHBondContact O-N 3.15Å; A312-D314 PolarHBondContact O-N 3.46Å; A312-R315 WeakPolarHBondContact O-CB 3.39Å; A312-R315 PolarHBondContact O-N 2.94Å; A312-R315 VanDerWaalsContact O-N 3.16Å; A312-N393 WeakPolarHBondContact CA-OD1 3.37Å; A312-N393 HydrophobicContact CB-CB 4Å
313V97.3Very high93.4Very high2 Ų237.9 Ų37.91%0.01219%0.192CC..G310 helixtrans-68-22.417764.20000112.6L281 A282 A285 F303 R305 R315 Q316L281-V313 HydrophobicContact CD2-CB 4.2Å; L281-V313 HydrophobicContact CD2-CG1 3.88Å; L281-V313 HydrophobicContact CD2-CG2 4.45Å; L281-V313 HydrophobicContact CG-CB 4.09Å; L281-V313 HydrophobicContact CG-CG1 4.33Å; L281-V313 HydrophobicContact CG-CG2 4.12Å; A282-V313 HydrophobicContact CB-CB 4.36Å; A285-V313 HydrophobicContact CB-CG2 3.87Å; F303-V313 HydrophobicContact CB-CG2 3.98Å; F303-V313 HydrophobicContact CD2-CG2 4.3Å; F303-V313 HydrophobicContact CG-CG2 4.03Å; R305-V313 HydrophobicContact CB-CG1 4.23Å; R305-V313 HydrophobicContact CG-CG1 4.15Å; V313-R315 PolarHBondContact O-N 3.45Å; V313-Q316 HydrophobicContact CG2-CG 4.32Å; V313-Q316 WeakPolarHBondContact O-CG 3.42Å; V313-Q316 PolarHBondContact O-N 3.04Å
314D95.8Very high93.3Very high64 Ų6439.9 Ų39.934%0.34220%0.201SC..G310 helixtrans-69.7-16.5176.3-50.635.1000111.5R305 A311 A312 Q316R305-D314 IonicContact CZ-OD1 2.77Å; R305-D314 IonicContact CZ-OD2 3.98Å; R305-D314 IonicContact NE-OD1 2.84Å; R305-D314 PolarHBondContact NE-OD1 2.88Å; R305-D314 IonicContact NE-OD2 3.02Å; R305-D314 PolarHBondContact NE-OD2 3.03Å; R305-D314 IonicContact NH2-OD1 2.77Å; R305-D314 IonicContact NH2-OD2 3.68Å; R305-D314 PolarHBondContact NH2-OD2 3.45Å; A311-D314 WeakPolarHBondContact CA-OD1 3.44Å; A311-D314 HydrophobicContact CB-CB 4.19Å; A311-D314 WeakPolarHBondContact O-CB 3.41Å; A311-D314 PolarHBondContact O-N 2.85Å; A312-D314 PolarHBondContact O-N 3.46Å; D314-Q316 VanDerWaalsContact C-N 3.35Å
315R92.2Very high93.1Very high72 Ų7239.9 Ų39.927%0.27220%0.201SC..G310 helixtrans-87.7-2.7-178.5-53.4-59.8166.6178.7-8.3113.7A312 V313 K317 F390 N462A312-R315 WeakPolarHBondContact O-CB 3.39Å; A312-R315 PolarHBondContact O-N 2.94Å; A312-R315 VanDerWaalsContact O-N 3.16Å; V313-R315 PolarHBondContact O-N 3.45Å; R315-K317 PolarHBondContact O-N 3.2Å; R315-F390 HydrophobicContact CB-CB 4.19Å; R315-F390 HydrophobicContact CB-CD1 4.39Å; R315-F390 WeakPolarHBondContact O-CD1 3.36Å; R315-F390 WeakPolarHBondContact O-CE1 3.36Å; R315-N462 PolarHBondContact NH1-OD1 3.08Å; R315-N462 VanDerWaalsContact NH2-CB 3.26Å; R315-N462 PolarHBondContact NH2-OD1 2.84Å
316Q83.8Confident92.8Very high21 Ų2140 Ų4010%0.09820%0.203CC..  trans-59137.4179.3-63.2-55.8-40.600111.5A282 A285 F303 V313 D314 L318 H386A282-Q316 PolarHBondContact O-NE2 2.97Å; A285-Q316 HydrophobicContact CB-CG 3.82Å; F303-Q316 HydrophobicContact CE2-CB 4.4Å; F303-Q316 HydrophobicContact CE2-CG 4.49Å; V313-Q316 HydrophobicContact CG2-CG 4.32Å; V313-Q316 WeakPolarHBondContact O-CG 3.42Å; V313-Q316 PolarHBondContact O-N 3.04Å; D314-Q316 VanDerWaalsContact C-N 3.35Å; Q316-L318 PolarHBondContact O-N 3.13Å; Q316-H386 PolarHBondContact NE2-CE1 2.76Å; Q316-H386 VanDerWaalsContact NE2-CE1 3.34Å
317K80.3Confident92.3Very high157 Ų15742.3 Ų42.368%0.68322%0.219SC*.SBendtrans-89.321.5-179.5-73167.2-174.21640112.9R315 N319 A389 F390R315-K317 PolarHBondContact O-N 3.2Å; K317-N319 VanDerWaalsContact C-N 3.34Å; K317-A389 PolarHBondContact NZ-O 2.83Å; K317-A389 VanDerWaalsContact NZ-O 3.09Å; K317-F390 HydrophobicContact CB-CE1 4.23Å; K317-F390 HydrophobicContact CD-CD1 4.44Å; K317-F390 HydrophobicContact CD-CE1 3.82Å; K317-F390 HydrophobicContact CG-CD1 4.47Å; K317-F390 HydrophobicContact CG-CE1 3.82Å
318L80.9Confident91.9Very high74 Ų7445.1 Ų45.139%0.38723%0.234SC..SBendtrans-86.6-1-173.7-65.3174.1000114A285 I288 F303 Q316 L320A285-L318 WeakPolarHBondContact O-CD1 3.2Å; I288-L318 HydrophobicContact CG2-CD1 3.88Å; F303-L318 HydrophobicContact CE2-CD1 4.11Å; F303-L318 HydrophobicContact CZ-CD1 3.76Å; Q316-L318 PolarHBondContact O-N 3.13Å; L318-L320 HydrophobicContact CB-CD1 4.16Å; L318-L320 HydrophobicContact CB-CG 4.23Å; L318-L320 PolarHBondContact O-N 3.17Å
319N87.1Confident91.5Very high163 Ų16346.1 Ų46.187%0.87224%0.244SC*.  trans52.634.9-176.6-163.642.5000113.2K317K317-N319 VanDerWaalsContact C-N 3.34Å
320L91.3Very high91.3Very high58 Ų5846.2 Ų46.230%0.30425%0.245SC..  trans-107.5146.2176.1-68.7175000109.5V300 F303 L318V300-L320 HydrophobicContact CB-CD1 4.11Å; V300-L320 HydrophobicContact CG1-CD1 3.6Å; V300-L320 WeakPolarHBondContact O-CD2 3.05Å; F303-L320 HydrophobicContact CD2-CB 4.19Å; F303-L320 HydrophobicContact CE2-CB 3.89Å; F303-L320 HydrophobicContact CE2-CD1 3.8Å; F303-L320 HydrophobicContact CE2-CG 4.46Å; F303-L320 HydrophobicContact CZ-CD1 3.77Å; L318-L320 HydrophobicContact CB-CD1 4.16Å; L318-L320 HydrophobicContact CB-CG 4.23Å; L318-L320 PolarHBondContact O-N 3.17Å
321T93.4Very high91.1Very high81 Ų8147.4 Ų47.450%0.49725%0.25SS..  trans-67.3134.5175.1-55.30000110.2G302 F303 F323G302-T321 WeakPolarHBondContact CA-O 3.26Å; F303-T321 PolarHBondContact N-O 3.46Å; T321-F323 HydrophobicContact CG2-CD1 4.42Å; T321-F323 HydrophobicContact CG2-CD2 3.96Å; T321-F323 HydrophobicContact CG2-CE1 4.15Å; T321-F323 HydrophobicContact CG2-CE2 3.64Å; T321-F323 HydrophobicContact CG2-CG 4.34Å; T321-F323 HydrophobicContact CG2-CZ 3.75Å
322C95.7Very high91Very high33 Ų3347.3 Ų47.322%0.22325%0.249CC..EExtended strand (participates in β ladder)trans-107.2114.6164.6-169.50000109F303F303-C322 HydrophobicContact CB-CB 4.17Å; F303-C322 CarbonylContact O-C 3.54Å; F303-C322 VanDerWaalsContact O-CA 3.32Å; F303-C322 WeakPolarHBondContact O-CA 3.32Å
323F95.4Very high90.9Very high51 Ų5147.1 Ų47.122%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-83.6133178-66.5-91.8000110.6F303 A304 R305 T321 L335 L340 V341F303-F323 WeakPolarHBondContact O-CD2 3.47Å; F303-F323 PolarHBondContact O-N 3.39Å; A304-F323 CarbonylContact C-O 3.58Å; A304-F323 WeakPolarHBondContact CA-O 3.35Å; A304-F323 HydrophobicContact CB-CB 4.08Å; R305-F323 PolarHBondContact N-O 3.31Å; T321-F323 HydrophobicContact CG2-CD1 4.42Å; T321-F323 HydrophobicContact CG2-CD2 3.96Å; T321-F323 HydrophobicContact CG2-CE1 4.15Å; T321-F323 HydrophobicContact CG2-CE2 3.64Å; T321-F323 HydrophobicContact CG2-CG 4.34Å; T321-F323 HydrophobicContact CG2-CZ 3.75Å; F323-L335 HydrophobicContact CB-CD1 3.62Å; F323-L335 HydrophobicContact CD1-CD1 4.41Å; F323-L335 HydrophobicContact CD1-CD2 4Å; F323-L335 HydrophobicContact CD2-CD1 4.43Å; F323-L335 HydrophobicContact CE1-CD2 4.25Å; F323-L335 HydrophobicContact CG-CD1 3.92Å; F323-L335 HydrophobicContact CG-CD2 4.19Å; F323-L340 HydrophobicContact CE1-CD1 4.38Å; F323-L340 HydrophobicContact CE2-CB 3.84Å; F323-L340 HydrophobicContact CZ-CB 3.91Å; F323-L340 HydrophobicContact CZ-CD1 4.06Å; F323-L340 HydrophobicContact CZ-CD2 4.43Å; F323-L340 HydrophobicContact CZ-CG 4.36Å; F323-V341 HydrophobicContact CD2-CG2 3.62Å; F323-V341 HydrophobicContact CE2-CG2 4.17Å; F323-V341 HydrophobicContact CG-CG2 4.42Å
324E94.9Very high90.7Very high44 Ų4451 Ų5121%0.20627%0.268CS..EExtended strand (participates in β ladder)trans-100.5119172.2-172.5174.2-13500109.3R305 M307 F444 R456 R464R305-E324 IonicContact CZ-OE1 2.81Å; R305-E324 IonicContact NH1-OE1 2.78Å; R305-E324 PolarHBondContact NH1-OE1 3.17Å; R305-E324 IonicContact NH2-OE1 3.8Å; R305-E324 PolarHBondContact NH2-OE1 3.32Å; R305-E324 WeakPolarHBondContact O-CA 3.48Å; M307-E324 HydrophobicContact CB-CG 3.92Å; M307-E324 HydrophobicContact CG-CG 4.25Å; E324-F444 HydrophobicContact CG-CE2 4.46Å; E324-F444 HydrophobicContact CG-CZ 4.33Å; E324-R456 IonicContact OE1-NH1 3.12Å; E324-R456 PolarHBondContact OE1-NH1 2.88Å; E324-R456 IonicContact OE2-CZ 3.95Å; E324-R456 IonicContact OE2-NH1 2.83Å; E324-R456 PolarHBondContact OE2-NH1 3.05Å; E324-R464 IonicContact OE1-NH1 3.93Å; E324-R464 PolarHBondContact OE1-NH1 3.48Å
325V93.3Very high90.6Very high0 Ų048.4 Ų48.40%025%0.254CS..EExtended strand (participates in β ladder)trans-123.5161-175-60.60000112.3R305 S306 M307 F331 F332 L335 Y446R305-V325 PolarHBondContact O-N 3.2Å; S306-V325 CarbonylContact C-O 3.45Å; S306-V325 VanDerWaalsContact CA-O 3.25Å; S306-V325 WeakPolarHBondContact CA-O 3.5Å; M307-V325 PolarHBondContact N-O 3.33Å; V325-F331 HydrophobicContact CB-CB 3.85Å; V325-F331 HydrophobicContact CB-CG 4.49Å; V325-F331 HydrophobicContact CG1-CB 4.13Å; V325-F331 HydrophobicContact CG2-CB 4.19Å; V325-F332 HydrophobicContact CG2-CD1 3.71Å; V325-F332 HydrophobicContact CG2-CE1 3.26Å; V325-F332 HydrophobicContact CG2-CE2 4.48Å; V325-F332 HydrophobicContact CG2-CG 4.48Å; V325-F332 HydrophobicContact CG2-CZ 3.71Å; V325-L335 HydrophobicContact CG1-CD1 3.55Å; V325-Y446 HydrophobicContact CB-CE2 4.36Å; V325-Y446 HydrophobicContact CG1-CE2 3.82Å
326P90.6Very high90.8Very high11 Ų1145.4 Ų45.47%0.07124%0.244CC..  trans-60.7158.8169.8-20.432.7000111.9N328 F331 F444 Y446P326-N328 PolarHBondContact O-N 2.81Å; P326-F331 HydrophobicContact CB-CD2 3.92Å; P326-F331 HydrophobicContact CB-CE2 3.61Å; P326-F331 HydrophobicContact CB-CZ 4.33Å; P326-F331 HydrophobicContact CG-CD2 3.96Å; P326-F331 HydrophobicContact CG-CE1 4.43Å; P326-F331 HydrophobicContact CG-CE2 3.61Å; P326-F331 HydrophobicContact CG-CZ 3.87Å; P326-F444 HydrophobicContact CG-CE1 4.11Å; P326-Y446 VanDerWaalsContact CG-CB 3.5Å; P326-Y446 HydrophobicContact CG-CD1 4.34Å; P326-Y446 HydrophobicContact CG-CG 3.93Å
327S87.2Confident91.3Very high47 Ų4748.1 Ų48.133%0.32926%0.259SS..SBendtrans-72.475.9175.5-57.30000111.7P308 R468P308-S327 WeakPolarHBondContact CG-OG 3.35Å; S327-R468 PolarHBondContact OG-NH1 2.81Å
328N85.7Confident92.1Very high62 Ų6243.8 Ų43.833%0.33225%0.252SS..  trans-154.8129.4171.9-179.8-41.5000109.1P326 S330 F331P326-N328 PolarHBondContact O-N 2.81Å; N328-S330 PolarHBondContact O-N 2.78Å; N328-S330 VanDerWaalsContact O-N 3.17Å; N328-S330 WeakPolarHBondContact OD1-CB 3.28Å; N328-S330 PolarHBondContact OD1-N 3.22Å; N328-S330 PolarHBondContact OD1-OG 2.8Å; N328-F331 HydrophobicContact CB-CD2 3.77Å; N328-F331 HydrophobicContact CB-CE2 3.84Å; N328-F331 PolarHBondContact O-N 3.42Å
329G88Confident92.7Very high21 Ų2141.9 Ų41.922%0.21625%0.25CS..Hα-helixtrans-59.9-26-175.800000115F331 F332 A333G329-F331 VanDerWaalsContact C-N 3.28Å; G329-F331 PolarHBondContact O-N 2.9Å; G329-F332 PolarHBondContact O-N 3.09Å; G329-A333 PolarHBondContact O-N 3.16Å; G329-A333 VanDerWaalsContact O-N 3.12Å
330S92.1Very high93.1Very high2 Ų237.6 Ų37.61%0.01423%0.227CC..Hα-helixtrans-61.1-34178.359.80000113N328 F332 A333 D334N328-S330 PolarHBondContact O-N 2.78Å; N328-S330 VanDerWaalsContact O-N 3.17Å; N328-S330 WeakPolarHBondContact OD1-CB 3.28Å; N328-S330 PolarHBondContact OD1-N 3.22Å; N328-S330 PolarHBondContact OD1-OG 2.8Å; S330-F332 PolarHBondContact O-N 2.65Å; S330-A333 WeakPolarHBondContact O-CB 3.46Å; S330-A333 PolarHBondContact O-N 2.93Å; S330-D334 VanDerWaalsContact O-CG 3.32Å; S330-D334 PolarHBondContact O-N 3.47Å
331F93.5Very high93.3Very high26 Ų2635 Ų3511%0.11421%0.213CC..Hα-helixtrans-67.8-35.7177.7-64.7-70000112.6I111 V325 P326 N328 G329 A333 L335 Y446I111-F331 HydrophobicContact CD1-CE2 4.16Å; I111-F331 HydrophobicContact CD1-CZ 3.74Å; V325-F331 HydrophobicContact CB-CB 3.85Å; V325-F331 HydrophobicContact CB-CG 4.49Å; V325-F331 HydrophobicContact CG1-CB 4.13Å; V325-F331 HydrophobicContact CG2-CB 4.19Å; P326-F331 HydrophobicContact CB-CD2 3.92Å; P326-F331 HydrophobicContact CB-CE2 3.61Å; P326-F331 HydrophobicContact CB-CZ 4.33Å; P326-F331 HydrophobicContact CG-CD2 3.96Å; P326-F331 HydrophobicContact CG-CE1 4.43Å; P326-F331 HydrophobicContact CG-CE2 3.61Å; P326-F331 HydrophobicContact CG-CZ 3.87Å; N328-F331 HydrophobicContact CB-CD2 3.77Å; N328-F331 HydrophobicContact CB-CE2 3.84Å; N328-F331 PolarHBondContact O-N 3.42Å; G329-F331 VanDerWaalsContact C-N 3.28Å; G329-F331 PolarHBondContact O-N 2.9Å; F331-A333 VanDerWaalsContact C-N 3.35Å; F331-L335 WeakPolarHBondContact O-CG 3.15Å; F331-L335 PolarHBondContact O-N 2.61Å; F331-Y446 AromaticContact CD1-CD1 3.85Å; F331-Y446 HydrophobicContact CD1-CD1 3.85Å; F331-Y446 AromaticContact CD1-CE1 3.61Å; F331-Y446 HydrophobicContact CD1-CE1 3.61Å; F331-Y446 AromaticContact CE1-CD1 3.7Å; F331-Y446 HydrophobicContact CE1-CD1 3.7Å; F331-Y446 AromaticContact CE1-CE1 3.9Å; F331-Y446 HydrophobicContact CE1-CE1 3.9Å
332F95.1Very high93.4Very high1 Ų131.1 Ų31.10%0.00419%0.19CC..Hα-helixtrans-66.3-41.6172.3-61.7-54.5000110.9A304 V325 G329 S330 D334 L335 M336 F344 G345A304-F332 HydrophobicContact CB-CD1 3.7Å; A304-F332 HydrophobicContact CB-CE1 3.74Å; V325-F332 HydrophobicContact CG2-CD1 3.71Å; V325-F332 HydrophobicContact CG2-CE1 3.26Å; V325-F332 HydrophobicContact CG2-CE2 4.48Å; V325-F332 HydrophobicContact CG2-CG 4.48Å; V325-F332 HydrophobicContact CG2-CZ 3.71Å; G329-F332 PolarHBondContact O-N 3.09Å; S330-F332 PolarHBondContact O-N 2.65Å; F332-D334 PolarHBondContact O-N 3.33Å; F332-L335 PolarHBondContact O-N 3.06Å; F332-M336 HydrophobicContact CB-CE 4.17Å; F332-M336 WeakPolarHBondContact O-CE 3.31Å; F332-M336 WeakPolarHBondContact O-CG 3.47Å; F332-M336 PolarHBondContact O-N 3.36Å; F332-F344 HydrophobicContact CB-CD2 3.69Å; F332-F344 HydrophobicContact CB-CE2 3.93Å; F332-F344 HydrophobicContact CB-CG 4Å; F332-F344 HydrophobicContact CB-CZ 4.46Å; F332-F344 HydrophobicContact CD1-CB 3.7Å; F332-F344 AromaticContact CD1-CD2 3.79Å; F332-F344 HydrophobicContact CD1-CD2 3.79Å; F332-F344 AromaticContact CD1-CG 3.98Å; F332-F344 HydrophobicContact CD1-CG 3.98Å; F332-F344 AromaticContact CD2-CD2 3.41Å; F332-F344 HydrophobicContact CD2-CD2 3.41Å; F332-F344 VanDerWaalsContact CD2-CD2 3.41Å; F332-F344 AromaticContact CD2-CE2 3.74Å; F332-F344 HydrophobicContact CD2-CE2 3.74Å; F332-F344 HydrophobicContact CD2-CG 4.36Å; F332-F344 HydrophobicContact CE1-CB 3.99Å; F332-F344 HydrophobicContact CE1-CD2 4.19Å; F332-F344 AromaticContact CE2-CD2 3.86Å; F332-F344 HydrophobicContact CE2-CD2 3.86Å; F332-F344 HydrophobicContact CE2-CE2 4.41Å; F332-F344 HydrophobicContact CG-CB 4.15Å; F332-F344 AromaticContact CG-CD2 3.36Å; F332-F344 HydrophobicContact CG-CD2 3.36Å; F332-F344 AromaticContact CG-CE2 3.93Å; F332-F344 HydrophobicContact CG-CE2 3.93Å; F332-F344 AromaticContact CG-CG 3.89Å; F332-F344 HydrophobicContact CG-CG 3.89Å; F332-F344 HydrophobicContact CZ-CD2 4.23Å; F332-G345 WeakPolarHBondContact CZ-O 3.45Å
333A94.3Very high93.5Very high0 Ų029.6 Ų29.60%018%0.179CC..Hα-helixtrans-59.6-45.617700000112.1G329 S330 F331 L335 M336 D337 R357G329-A333 PolarHBondContact O-N 3.16Å; G329-A333 VanDerWaalsContact O-N 3.12Å; S330-A333 WeakPolarHBondContact O-CB 3.46Å; S330-A333 PolarHBondContact O-N 2.93Å; F331-A333 VanDerWaalsContact C-N 3.35Å; A333-L335 PolarHBondContact O-N 2.98Å; A333-M336 PolarHBondContact O-N 3.03Å; A333-D337 PolarHBondContact O-N 2.83Å; A333-R357 HydrophobicContact CB-CB 4.15Å; A333-R357 HydrophobicContact CB-CG 4.44Å
334D93.3Very high93.7Very high82 Ų8227.3 Ų27.344%0.43917%0.169SC..Hα-helixtrans-61.3-43.4178.1-70.2-16.9000112S330 F332 M336 D337 A338S330-D334 VanDerWaalsContact O-CG 3.32Å; S330-D334 PolarHBondContact O-N 3.47Å; F332-D334 PolarHBondContact O-N 3.33Å; D334-M336 VanDerWaalsContact C-N 3.35Å; D334-M336 PolarHBondContact O-N 2.93Å; D334-D337 PolarHBondContact O-N 3.33Å; D334-A338 WeakPolarHBondContact O-CB 3.36Å; D334-A338 PolarHBondContact O-N 3.48Å
335L95.5Very high93.8Very high11 Ų1125.2 Ų25.26%0.05816%0.159CC..Hα-helixtrans-65.8-36.4176.5-71174.5000112.7A304 F323 V325 F331 F332 A333 G339 L340 V341A304-L335 HydrophobicContact CB-CD1 4.1Å; F323-L335 HydrophobicContact CB-CD1 3.62Å; F323-L335 HydrophobicContact CD1-CD1 4.41Å; F323-L335 HydrophobicContact CD1-CD2 4Å; F323-L335 HydrophobicContact CD2-CD1 4.43Å; F323-L335 HydrophobicContact CE1-CD2 4.25Å; F323-L335 HydrophobicContact CG-CD1 3.92Å; F323-L335 HydrophobicContact CG-CD2 4.19Å; V325-L335 HydrophobicContact CG1-CD1 3.55Å; F331-L335 WeakPolarHBondContact O-CG 3.15Å; F331-L335 PolarHBondContact O-N 2.61Å; F332-L335 PolarHBondContact O-N 3.06Å; A333-L335 PolarHBondContact O-N 2.98Å; L335-G339 PolarHBondContact O-N 3.22Å; L335-L340 HydrophobicContact CD2-CB 4.39Å; L335-L340 HydrophobicContact CD2-CD1 3.9Å; L335-L340 PolarHBondContact O-N 3.32Å; L335-V341 HydrophobicContact CB-CB 4.08Å; L335-V341 HydrophobicContact CB-CG2 3.66Å; L335-V341 HydrophobicContact CD1-CG2 3.91Å; L335-V341 HydrophobicContact CG-CG2 4.33Å; L335-V341 PolarHBondContact O-N 2.87Å
336M95.8Very high93.9Very high9 Ų925.9 Ų25.94%0.04416%0.163CC..Hα-helixtrans-69.9-38175.4-72.8-174.3-80.500112.1F332 A333 D334 A338 G339 V341 F344 S354F332-M336 HydrophobicContact CB-CE 4.17Å; F332-M336 WeakPolarHBondContact O-CE 3.31Å; F332-M336 WeakPolarHBondContact O-CG 3.47Å; F332-M336 PolarHBondContact O-N 3.36Å; A333-M336 PolarHBondContact O-N 3.03Å; D334-M336 VanDerWaalsContact C-N 3.35Å; D334-M336 PolarHBondContact O-N 2.93Å; M336-A338 VanDerWaalsContact C-N 3.34Å; M336-G339 PolarHBondContact O-N 2.81Å; M336-G339 VanDerWaalsContact O-N 3.1Å; M336-V341 HydrophobicContact CG-CB 4.29Å; M336-V341 HydrophobicContact CG-CG1 4.33Å; M336-F344 HydrophobicContact CE-CD1 3.82Å; M336-F344 HydrophobicContact CE-CE1 3.29Å; M336-F344 HydrophobicContact CE-CZ 3.76Å; M336-F344 HydrophobicContact SD-CD1 3.81Å; M336-F344 HydrophobicContact SD-CE1 3.54Å; M336-F344 VanDerWaalsContact SD-CE1 3.54Å; M336-S354 VanDerWaalsContact SD-CA 3.56Å
337D94.4Very high94Very high78 Ų7825.9 Ų25.942%0.41716%0.162SC..Hα-helixtrans-69.2-33.2175.4-74-18.8000112.3N105 A333 D334 G339 R357N105-D337 VanDerWaalsContact CB-OD2 3.25Å; N105-D337 WeakPolarHBondContact CB-OD2 3.35Å; N105-D337 PolarHBondContact ND2-OD2 2.93Å; A333-D337 PolarHBondContact O-N 2.83Å; D334-D337 PolarHBondContact O-N 3.33Å; D337-G339 PolarHBondContact O-N 2.86Å; D337-R357 IonicContact OD1-CZ 3.73Å; D337-R357 IonicContact OD1-NE 2.61Å; D337-R357 PolarHBondContact OD1-NE 3.32Å; D337-R357 IonicContact OD1-NH2 3.06Å; D337-R357 PolarHBondContact OD1-NH2 2.98Å
338A95.8Very high94.2Very high65 Ų6525.2 Ų25.254%0.53716%0.157SC..THydrogen-bonded Turntrans-72.5-4.6170.200000113.6D334 M336 L340D334-A338 WeakPolarHBondContact O-CB 3.36Å; D334-A338 PolarHBondContact O-N 3.48Å; M336-A338 VanDerWaalsContact C-N 3.34Å; A338-L340 VanDerWaalsContact C-N 3.3Å; A338-L340 HydrophobicContact CB-CD1 3.87Å; A338-L340 HydrophobicContact CB-CG 3.91Å; A338-L340 PolarHBondContact O-N 3.36Å
339G94.3Very high94.5Very high34 Ų3422.9 Ų22.935%0.35115%0.145SC..THydrogen-bonded Turntrans67.628.7-17900000113.6K301 L335 M336 D337K301-G339 WeakPolarHBondContact CB-O 3.26Å; K301-G339 WeakPolarHBondContact CD-O 3.31Å; K301-G339 WeakPolarHBondContact CG-O 3.41Å; L335-G339 PolarHBondContact O-N 3.22Å; M336-G339 PolarHBondContact O-N 2.81Å; M336-G339 VanDerWaalsContact O-N 3.1Å; D337-G339 PolarHBondContact O-N 2.86Å
340L95.7Very high94.9Very high74 Ų7421.9 Ų21.939%0.38714%0.135SC..  trans-100.5-22.6-176.8-63.4175.9000113.3K301 G302 F323 L335 A338K301-L340 CarbonylContact C-O 3.57Å; G302-L340 WeakPolarHBondContact CA-O 3.47Å; G302-L340 PolarHBondContact N-O 2.88Å; F323-L340 HydrophobicContact CE1-CD1 4.38Å; F323-L340 HydrophobicContact CE2-CB 3.84Å; F323-L340 HydrophobicContact CZ-CB 3.91Å; F323-L340 HydrophobicContact CZ-CD1 4.06Å; F323-L340 HydrophobicContact CZ-CD2 4.43Å; F323-L340 HydrophobicContact CZ-CG 4.36Å; L335-L340 HydrophobicContact CD2-CB 4.39Å; L335-L340 HydrophobicContact CD2-CD1 3.9Å; L335-L340 PolarHBondContact O-N 3.32Å; A338-L340 VanDerWaalsContact C-N 3.3Å; A338-L340 HydrophobicContact CB-CD1 3.87Å; A338-L340 HydrophobicContact CB-CG 3.91Å; A338-L340 PolarHBondContact O-N 3.36Å
341V95.5Very high95.1Very high2 Ų222 Ų221%0.01214%0.135CC..  trans-129.2139.3-175.21720000110.4A304 F323 L335 M336 L343 F344A304-V341 HydrophobicContact CB-CG1 3.96Å; A304-V341 HydrophobicContact CB-CG2 3.79Å; F323-V341 HydrophobicContact CD2-CG2 3.62Å; F323-V341 HydrophobicContact CE2-CG2 4.17Å; F323-V341 HydrophobicContact CG-CG2 4.42Å; L335-V341 HydrophobicContact CB-CB 4.08Å; L335-V341 HydrophobicContact CB-CG2 3.66Å; L335-V341 HydrophobicContact CD1-CG2 3.91Å; L335-V341 HydrophobicContact CG-CG2 4.33Å; L335-V341 PolarHBondContact O-N 2.87Å; M336-V341 HydrophobicContact CG-CB 4.29Å; M336-V341 HydrophobicContact CG-CG1 4.33Å; V341-L343 WeakPolarHBondContact CG1-O 3.28Å; V341-F344 HydrophobicContact CG1-CB 4.11Å
342S96.4Very high95.3Very high1 Ų120.8 Ų20.81%0.00713%0.13CC..SBendtrans-114.1-32.5174.1-60.20000112.5K301 G302 C353 S354K301-S342 PolarHBondContact N-OG 3.03Å; G302-S342 PolarHBondContact O-N 3.02Å; S342-C353 CarbonylContact O-C 3.51Å; S342-C353 WeakPolarHBondContact O-CA 3.22Å; S342-C353 WeakPolarHBondContact O-CB 3.31Å; S342-S354 PolarHBondContact O-N 3.37Å
343L97.9Very high95.4Very high0 Ų020.7 Ų20.70%013%0.129CC..EExtended strand (participates in β ladder)trans-133.3135.7-179.6173.575.8000109.1L281 L284 A285 I288 F294 G302 F303 A304 V341 I351 G352 C353 W363L281-L343 HydrophobicContact CD1-CD1 4.43Å; L281-L343 HydrophobicContact CD1-CD2 4.06Å; L281-L343 HydrophobicContact CD1-CG 3.83Å; L284-L343 HydrophobicContact CB-CD2 4.2Å; A285-L343 HydrophobicContact CB-CD2 3.89Å; I288-L343 HydrophobicContact CD1-CB 4.19Å; I288-L343 HydrophobicContact CD1-CD2 4.35Å; F294-L343 HydrophobicContact CE1-CB 4.38Å; F294-L343 HydrophobicContact CZ-CB 4.27Å; F294-L343 HydrophobicContact CZ-CD1 4.36Å; G302-L343 PolarHBondContact O-N 3.04Å; F303-L343 CarbonylContact C-O 3.54Å; F303-L343 VanDerWaalsContact CA-O 3.25Å; F303-L343 WeakPolarHBondContact CA-O 2.98Å; F303-L343 HydrophobicContact CD1-CB 3.95Å; F303-L343 HydrophobicContact CD1-CD2 4.09Å; F303-L343 HydrophobicContact CD1-CG 4.42Å; F303-L343 HydrophobicContact CE1-CB 4.23Å; F303-L343 HydrophobicContact CE1-CD2 4.04Å; A304-L343 PolarHBondContact N-O 2.81Å; V341-L343 WeakPolarHBondContact CG1-O 3.28Å; L343-I351 HydrophobicContact CD1-CG2 4.17Å; L343-G352 WeakPolarHBondContact CD1-O 3.48Å; L343-C353 HydrophobicContact CD1-CB 4.29Å; L343-W363 HydrophobicContact CD1-CH2 3.52Å; L343-W363 HydrophobicContact CD1-CZ2 4.48Å; L343-W363 HydrophobicContact CD1-CZ3 4.04Å
344F97.7Very high95.5Very high3 Ų321.6 Ų21.61%0.01314%0.135CC..EExtended strand (participates in β ladder)trans-145.2163.7-17968.9-82.4000111.9A304 F332 M336 V341 I351 G352 K359A304-F344 HydrophobicContact CB-CB 4.02Å; A304-F344 WeakPolarHBondContact O-CA 3.09Å; F332-F344 HydrophobicContact CB-CD2 3.69Å; F332-F344 HydrophobicContact CB-CE2 3.93Å; F332-F344 HydrophobicContact CB-CG 4Å; F332-F344 HydrophobicContact CB-CZ 4.46Å; F332-F344 HydrophobicContact CD1-CB 3.7Å; F332-F344 AromaticContact CD1-CD2 3.79Å; F332-F344 HydrophobicContact CD1-CD2 3.79Å; F332-F344 AromaticContact CD1-CG 3.98Å; F332-F344 HydrophobicContact CD1-CG 3.98Å; F332-F344 AromaticContact CD2-CD2 3.41Å; F332-F344 HydrophobicContact CD2-CD2 3.41Å; F332-F344 VanDerWaalsContact CD2-CD2 3.41Å; F332-F344 AromaticContact CD2-CE2 3.74Å; F332-F344 HydrophobicContact CD2-CE2 3.74Å; F332-F344 HydrophobicContact CD2-CG 4.36Å; F332-F344 HydrophobicContact CE1-CB 3.99Å; F332-F344 HydrophobicContact CE1-CD2 4.19Å; F332-F344 AromaticContact CE2-CD2 3.86Å; F332-F344 HydrophobicContact CE2-CD2 3.86Å; F332-F344 HydrophobicContact CE2-CE2 4.41Å; F332-F344 HydrophobicContact CG-CB 4.15Å; F332-F344 AromaticContact CG-CD2 3.36Å; F332-F344 HydrophobicContact CG-CD2 3.36Å; F332-F344 AromaticContact CG-CE2 3.93Å; F332-F344 HydrophobicContact CG-CE2 3.93Å; F332-F344 AromaticContact CG-CG 3.89Å; F332-F344 HydrophobicContact CG-CG 3.89Å; F332-F344 HydrophobicContact CZ-CD2 4.23Å; M336-F344 HydrophobicContact CE-CD1 3.82Å; M336-F344 HydrophobicContact CE-CE1 3.29Å; M336-F344 HydrophobicContact CE-CZ 3.76Å; M336-F344 HydrophobicContact SD-CD1 3.81Å; M336-F344 HydrophobicContact SD-CE1 3.54Å; M336-F344 VanDerWaalsContact SD-CE1 3.54Å; V341-F344 HydrophobicContact CG1-CB 4.11Å; F344-I351 WeakPolarHBondContact O-CA 3.5Å; F344-I351 WeakPolarHBondContact O-CG2 3.13Å; F344-G352 VanDerWaalsContact CD1-O 3.26Å; F344-G352 WeakPolarHBondContact CD1-O 3.48Å; F344-G352 PolarHBondContact N-O 3.45Å; F344-G352 PolarHBondContact O-N 3.11Å; F344-G352 VanDerWaalsContact O-O 3.12Å; F344-K359 HydrophobicContact CE2-CG 3.75Å; F344-K359 HydrophobicContact CZ-CG 4.41Å
345G97.6Very high95.7Very high0 Ų018 Ų180%012%0.116CC..EExtended strand (participates in β ladder)trans-171.1174.9171.500000113.4A304 R305 S306 F332 G350A304-G345 PolarHBondContact O-N 3.16Å; A304-G345 VanDerWaalsContact O-N 3.14Å; R305-G345 VanDerWaalsContact CA-O 3.25Å; R305-G345 WeakPolarHBondContact CA-O 3.35Å; S306-G345 PolarHBondContact N-O 2.85Å; F332-G345 WeakPolarHBondContact CZ-O 3.45Å; G345-G350 CarbonylContact C-O 3.56Å; G345-G350 WeakPolarHBondContact CA-O 3.49Å
346D95.4Very high95.8Very high14 Ų1417.4 Ų17.48%0.07511%0.113CC..  trans-137.5158.5175.755.558.9000111.8A277 S306 T309 S348 L349 G350 K359A277-D346 VanDerWaalsContact CB-O 3.31Å; A277-D346 WeakPolarHBondContact CB-O 3.35Å; S306-D346 WeakPolarHBondContact OG-CB 3.47Å; T309-D346 VanDerWaalsContact OG1-CA 3.29Å; T309-D346 WeakPolarHBondContact OG1-CA 3.39Å; D346-S348 PolarHBondContact O-N 2.81Å; D346-S348 WeakPolarHBondContact OD1-CA 3.32Å; D346-S348 PolarHBondContact OD1-N 2.93Å; D346-S348 PolarHBondContact OD1-OG 2.9Å; D346-L349 PolarHBondContact O-N 2.98Å; D346-G350 PolarHBondContact N-O 2.96Å; D346-G350 PolarHBondContact OD1-N 2.82Å; D346-K359 WeakPolarHBondContact OD2-CD 3.22Å
347E93.9Very high95.9Very high11 Ų1118 Ų185%0.05111%0.114CC..SBendtrans-62.7-21.7177.455.781.9-161.800113.8P308 T309 L349 F395 R397 Y482P308-E347 HydrophobicContact CB-CG 4.22Å; P308-E347 HydrophobicContact CG-CG 4.22Å; T309-E347 HydrophobicContact CG2-CB 4.4Å; T309-E347 PolarHBondContact OG1-N 3.02Å; E347-L349 PolarHBondContact O-N 3.07Å; E347-F395 HydrophobicContact CB-CE1 3.61Å; E347-F395 HydrophobicContact CB-CZ 3.63Å; E347-F395 HydrophobicContact CG-CE1 4.2Å; E347-F395 HydrophobicContact CG-CZ 3.81Å; E347-R397 IonicContact OE1-NH1 3.7Å; E347-R397 WeakPolarHBondContact OE2-CD 3.06Å; E347-R397 IonicContact OE2-CZ 2.8Å; E347-R397 IonicContact OE2-NE 3.6Å; E347-R397 IonicContact OE2-NH1 3.58Å; E347-R397 PolarHBondContact OE2-NH1 2.77Å; E347-Y482 HydrophobicContact CG-CE1 4.37Å; E347-Y482 VanDerWaalsContact OE1-CE1 3.29Å; E347-Y482 WeakPolarHBondContact OE1-CE1 3.36Å
348S90.6Very high96.1Very high33 Ų3314.5 Ų14.523%0.23110%0.096CC..SBendtrans-75.436.8172.549.90000113.4R264 D346 G350R264-S348 WeakPolarHBondContact CD-O 3.34Å; D346-S348 PolarHBondContact O-N 2.81Å; D346-S348 WeakPolarHBondContact OD1-CA 3.32Å; D346-S348 PolarHBondContact OD1-N 2.93Å; D346-S348 PolarHBondContact OD1-OG 2.9Å; S348-G350 VanDerWaalsContact C-N 3.26Å; S348-G350 PolarHBondContact O-N 2.65Å
349L92.8Very high96.2Very high14 Ų1412.3 Ų12.37%0.0737%0.074CC..SBendtrans69.413.4166.8-54.4168.3000115.5T236 R264 S265 I266 F274 A277 D346 E347T236-L349 VanDerWaalsContact O-CD1 3.28Å; T236-L349 WeakPolarHBondContact O-CD1 3.38Å; T236-L349 WeakPolarHBondContact OG1-CD1 3.45Å; R264-L349 CarbonylContact C-O 3.56Å; R264-L349 VanDerWaalsContact CA-O 3.31Å; R264-L349 WeakPolarHBondContact CA-O 3.5Å; R264-L349 HydrophobicContact CB-CB 4.13Å; S265-L349 PolarHBondContact N-O 3.08Å; I266-L349 HydrophobicContact CG1-CD1 4.17Å; I266-L349 HydrophobicContact CG1-CD2 4.4Å; F274-L349 HydrophobicContact CZ-CD2 4.48Å; A277-L349 HydrophobicContact CB-CD2 4.17Å; D346-L349 PolarHBondContact O-N 2.98Å; E347-L349 PolarHBondContact O-N 3.07Å
350G94.5Very high96.4Very high0 Ų010.8 Ų10.80%06%0.058CC..  trans-109.9129.6178.600000113.5G345 D346 S348G345-G350 CarbonylContact C-O 3.56Å; G345-G350 WeakPolarHBondContact CA-O 3.49Å; D346-G350 PolarHBondContact N-O 2.96Å; D346-G350 PolarHBondContact OD1-N 2.82Å; S348-G350 VanDerWaalsContact C-N 3.26Å; S348-G350 PolarHBondContact O-N 2.65Å
351I97.7Very high96.5Very high4 Ų47.3 Ų7.32%0.0214%0.04CC..EExtended strand (participates in β ladder)trans-131.3143.3173.8-60.3173.9000108S280 L281 L284 L343 F344 D360 W363 S364S280-I351 WeakPolarHBondContact OG-CD1 3.46Å; L281-I351 HydrophobicContact CB-CD1 4.22Å; L281-I351 HydrophobicContact CD1-CG2 4.34Å; L284-I351 HydrophobicContact CD1-CD1 4.39Å; L284-I351 HydrophobicContact CD1-CG2 4.11Å; L343-I351 HydrophobicContact CD1-CG2 4.17Å; F344-I351 WeakPolarHBondContact O-CA 3.5Å; F344-I351 WeakPolarHBondContact O-CG2 3.13Å; I351-D360 PolarHBondContact O-N 2.59Å; I351-W363 HydrophobicContact CG2-CZ3 3.83Å; I351-S364 PolarHBondContact O-OG 3.27Å
352G97.7Very high96.6Very high0 Ų07.2 Ų7.20%04%0.039CC..EExtended strand (participates in β ladder)trans-153.6173.4177.900000112.7L343 F344L343-G352 WeakPolarHBondContact CD1-O 3.48Å; F344-G352 VanDerWaalsContact CD1-O 3.26Å; F344-G352 WeakPolarHBondContact CD1-O 3.48Å; F344-G352 PolarHBondContact N-O 3.45Å; F344-G352 PolarHBondContact O-N 3.11Å; F344-G352 VanDerWaalsContact O-O 3.12Å
353C97.2Very high96.7Very high0 Ų07.3 Ų7.30%04%0.039CC..EExtended strand (participates in β ladder)trans-142.5172.4175.6770000112.5F294 S342 L343 Y355 I356 W363F294-C353 HydrophobicContact CE1-CB 4.03Å; F294-C353 HydrophobicContact CZ-CB 3.54Å; S342-C353 CarbonylContact O-C 3.51Å; S342-C353 WeakPolarHBondContact O-CA 3.22Å; S342-C353 WeakPolarHBondContact O-CB 3.31Å; L343-C353 HydrophobicContact CD1-CB 4.29Å; C353-Y355 PolarHBondContact O-N 2.78Å; C353-Y355 WeakPolarHBondContact SG-CD1 3.49Å; C353-I356 PolarHBondContact O-N 2.96Å; C353-W363 HydrophobicContact CB-CH2 4.11Å; C353-W363 HydrophobicContact CB-CZ2 3.77Å; C353-W363 WeakPolarHBondContact SG-CZ2 3.34Å; C353-W363 PolarHBondContact SG-NE1 3.35Å
354S96.2Very high96.7Very high18 Ų187.3 Ų7.313%0.1264%0.039CC..THydrogen-bonded Turntrans-66-0.5-164.357.90000117.7Y293 M336 S342 I356 R357Y293-S354 PolarHBondContact OH-OG 2.79Å; Y293-S354 VanDerWaalsContact OH-OG 3.07Å; M336-S354 VanDerWaalsContact SD-CA 3.56Å; S342-S354 PolarHBondContact O-N 3.37Å; S354-I356 VanDerWaalsContact C-N 3.28Å; S354-I356 PolarHBondContact O-N 3.47Å; S354-R357 PolarHBondContact O-NH1 3.15Å
355Y97.1Very high96.7Very high6 Ų67.1 Ų7.12%0.0244%0.039CC..THydrogen-bonded Turntrans-68.8-30176.378.1-73.3000112.2R74 R167 M168 I171 Y293 C353 D360 W363R74-Y355 PolarHBondContact NE-O 2.64Å; R167-Y355 HydrophobicContact CG-CD2 4.46Å; M168-Y355 HydrophobicContact CE-CD2 4.45Å; M168-Y355 HydrophobicContact CE-CE2 3.56Å; I171-Y355 HydrophobicContact CD1-CD2 4.22Å; I171-Y355 HydrophobicContact CD1-CE2 4.3Å; I171-Y355 HydrophobicContact CD1-CG 4.33Å; Y293-Y355 WeakPolarHBondContact OH-CA 3.38Å; Y293-Y355 PolarHBondContact OH-N 3.34Å; Y293-Y355 VanDerWaalsContact OH-N 3.15Å; C353-Y355 PolarHBondContact O-N 2.78Å; C353-Y355 WeakPolarHBondContact SG-CD1 3.49Å; Y355-D360 WeakPolarHBondContact OH-CB 3.43Å; Y355-D360 PolarHBondContact OH-OD2 3.3Å; Y355-W363 HydrophobicContact CE1-CB 4.47Å; Y355-W363 AromaticContact CE1-CD1 3.52Å; Y355-W363 AromaticContact CE1-CG 3.93Å; Y355-W363 HydrophobicContact CE1-CG 3.93Å; Y355-W363 AromaticContact CE1-NE1 3.96Å; Y355-W363 AromaticContact CZ-CD1 3.92Å; Y355-W363 WeakPolarHBondContact OH-CB 3.4Å
356I98.3Very high96.8Very high0 Ų07.1 Ų7.10%04%0.039CC..SBendtrans-126.7-168.9172.258.5171.8000110.4P67 L71 C353 S354 E358 D360P67-I356 HydrophobicContact CB-CD1 3.77Å; L71-I356 HydrophobicContact CB-CG2 3.95Å; L71-I356 HydrophobicContact CD1-CG2 4.28Å; C353-I356 PolarHBondContact O-N 2.96Å; S354-I356 VanDerWaalsContact C-N 3.28Å; S354-I356 PolarHBondContact O-N 3.47Å; I356-E358 HydrophobicContact CD1-CB 4.31Å; I356-D360 HydrophobicContact CD1-CB 4.14Å
357R97.8Very high96.9Very high20 Ų206.5 Ų6.58%0.0754%0.035CC..SBendtrans-126.625.3179.5-64.4-65.2177.7-92.13.7112.4S70 N105 G107 A333 D337 S354S70-R357 PolarHBondContact OG-N 2.96Å; N105-R357 HydrophobicContact CB-CG 4.4Å; N105-R357 WeakPolarHBondContact O-CG 3.2Å; G107-R357 VanDerWaalsContact CA-CB 3.4Å; G107-R357 WeakPolarHBondContact CA-O 3.46Å; G107-R357 VanDerWaalsContact N-CB 3.33Å; A333-R357 HydrophobicContact CB-CB 4.15Å; A333-R357 HydrophobicContact CB-CG 4.44Å; D337-R357 IonicContact OD1-CZ 3.73Å; D337-R357 IonicContact OD1-NE 2.61Å; D337-R357 PolarHBondContact OD1-NE 3.32Å; D337-R357 IonicContact OD1-NH2 3.06Å; D337-R357 PolarHBondContact OD1-NH2 2.98Å; S354-R357 PolarHBondContact O-NH1 3.15Å
358E98.1Very high97.2Very high5 Ų56 Ų62%0.0233%0.033CC..SBendtrans-132.2162.4175-77.2-72.5-171.200109.4T66 N102 P108 I356T66-E358 HydrophobicContact CG2-CB 4.08Å; T66-E358 VanDerWaalsContact CG2-CD 3.42Å; T66-E358 HydrophobicContact CG2-CG 3.58Å; N102-E358 PolarHBondContact ND2-OE1 3.25Å; P108-E358 WeakPolarHBondContact CD-OE1 3.25Å; P108-E358 WeakPolarHBondContact CG-OE1 3.41Å; I356-E358 HydrophobicContact CD1-CB 4.31Å
359K97.9Very high97.5Very high20 Ų204.4 Ų4.49%0.0872%0.022CC..  trans-69.2155.5167.2-55172.7-35.9-68.50108.2P67 D263 F344 D346P67-K359 WeakPolarHBondContact CG-O 3.47Å; D263-K359 HydrophobicContact CB-CB 4.2Å; D263-K359 WeakPolarHBondContact O-CB 3.49Å; D263-K359 WeakPolarHBondContact O-CE 3.32Å; D263-K359 WeakPolarHBondContact OD1-CE 3.4Å; D263-K359 IonicContact OD1-NZ 3.46Å; D263-K359 PolarHBondContact OD1-NZ 2.75Å; D263-K359 IonicContact OD2-NZ 3.21Å; D263-K359 PolarHBondContact OD2-NZ 3.31Å; F344-K359 HydrophobicContact CE2-CG 3.75Å; F344-K359 HydrophobicContact CZ-CG 4.41Å; D346-K359 WeakPolarHBondContact OD2-CD 3.22Å
360D98.3Very high97.8Very high1 Ų13.7 Ų3.71%0.0052%0.018CC..  trans-148.2114-176.6-171.3-37.9000112.3P67 Y164 I351 Y355 I356 I362 W363 S364P67-D360 HydrophobicContact CB-CB 3.93Å; P67-D360 WeakPolarHBondContact CB-OD2 3.04Å; P67-D360 HydrophobicContact CG-CB 3.95Å; Y164-D360 WeakPolarHBondContact CE2-OD2 3.44Å; Y164-D360 VanDerWaalsContact CZ-OD2 3.3Å; Y164-D360 PolarHBondContact OH-OD1 2.92Å; Y164-D360 PolarHBondContact OH-OD2 3.25Å; I351-D360 PolarHBondContact O-N 2.59Å; Y355-D360 WeakPolarHBondContact OH-CB 3.43Å; Y355-D360 PolarHBondContact OH-OD2 3.3Å; I356-D360 HydrophobicContact CD1-CB 4.14Å; D360-I362 PolarHBondContact OD1-N 2.86Å; D360-W363 HydrophobicContact CB-CB 3.7Å; D360-W363 VanDerWaalsContact CG-CB 3.49Å; D360-W363 WeakPolarHBondContact OD1-CB 3.49Å; D360-W363 PolarHBondContact OD1-N 3.07Å; D360-S364 WeakPolarHBondContact O-CB 3.24Å; D360-S364 PolarHBondContact O-N 3.49Å; D360-S364 PolarHBondContact O-OG 2.86Å
361C97Very high98Very high1 Ų13.7 Ų3.71%0.0072%0.018CC..Hα-helixtrans-69.7-42.3-176.371.70000112.7F258 G262 R264 S364 V365F258-C361 HydrophobicContact CD1-CB 3.5Å; F258-C361 VanDerWaalsContact CD1-CB 3.5Å; F258-C361 VanDerWaalsContact CD1-SG 3.6Å; F258-C361 HydrophobicContact CE1-CB 3.8Å; F258-C361 HydrophobicContact CG-CB 4.06Å; F258-C361 VanDerWaalsContact CG-SG 3.54Å; G262-C361 VanDerWaalsContact C-SG 3.51Å; G262-C361 WeakPolarHBondContact CA-SG 3.44Å; G262-C361 PolarHBondContact O-N 3.08Å; G262-C361 PolarHBondContact O-SG 3.12Å; R264-C361 WeakPolarHBondContact O-CB 3.18Å; C361-S364 WeakPolarHBondContact O-CB 3.33Å; C361-S364 PolarHBondContact O-N 3.16Å; C361-V365 PolarHBondContact O-N 3.11Å
362I98.4Very high98Very high1 Ų13.6 Ų3.61%0.0052%0.018CC..Hα-helixtrans-70-43.1-179.3-69.8171.3000109.6Y164 F204 V205 L208 F209 F258 D360 S364 V365 L366Y164-I362 HydrophobicContact CE1-CB 4.29Å; Y164-I362 HydrophobicContact CE1-CD1 4.13Å; Y164-I362 HydrophobicContact CE1-CG2 3.98Å; Y164-I362 WeakPolarHBondContact OH-CB 3.31Å; F204-I362 HydrophobicContact CB-CD1 3.56Å; V205-I362 HydrophobicContact CG2-CD1 4.4Å; V205-I362 HydrophobicContact CG2-CG1 4.5Å; L208-I362 HydrophobicContact CD1-CG2 3.65Å; F209-I362 HydrophobicContact CE2-CG2 4.09Å; F209-I362 HydrophobicContact CZ-CG2 4.35Å; F258-I362 HydrophobicContact CE2-CG1 3.96Å; F258-I362 HydrophobicContact CZ-CG1 4.26Å; D360-I362 PolarHBondContact OD1-N 2.86Å; I362-S364 VanDerWaalsContact C-N 3.26Å; I362-S364 PolarHBondContact O-N 3.23Å; I362-V365 PolarHBondContact O-N 3.03Å; I362-L366 HydrophobicContact CG2-CD1 3.95Å; I362-L366 HydrophobicContact CG2-CG 4.38Å; I362-L366 WeakPolarHBondContact O-CG 3.48Å; I362-L366 PolarHBondContact O-N 3.41Å
363W98.5Very high98Very high2 Ų23.8 Ų3.81%0.0082%0.019CC..Hα-helixtrans-56.5-43.9172.8178.391.1000111.1M168 F172 L284 F294 L343 I351 C353 Y355 D360 V365 L366 A367M168-W363 HydrophobicContact SD-CB 4.47Å; F172-W363 AromaticContact CE2-CD1 3.57Å; F172-W363 HydrophobicContact CE2-CG 4.28Å; F172-W363 AromaticContact CE2-NE1 3.99Å; F172-W363 AromaticContact CZ-CD1 3.45Å; F172-W363 VanDerWaalsContact CZ-CD1 3.45Å; F172-W363 HydrophobicContact CZ-CD2 4.41Å; F172-W363 HydrophobicContact CZ-CG 4.01Å; F172-W363 AromaticContact CZ-NE1 3.5Å; L284-W363 HydrophobicContact CD1-CH2 4.4Å; L284-W363 HydrophobicContact CD1-CZ3 4.09Å; F294-W363 AromaticContact CE2-CZ2 3.92Å; F294-W363 HydrophobicContact CE2-CZ2 3.92Å; F294-W363 HydrophobicContact CZ-CH2 4.49Å; F294-W363 HydrophobicContact CZ-CZ2 4.06Å; L343-W363 HydrophobicContact CD1-CH2 3.52Å; L343-W363 HydrophobicContact CD1-CZ2 4.48Å; L343-W363 HydrophobicContact CD1-CZ3 4.04Å; I351-W363 HydrophobicContact CG2-CZ3 3.83Å; C353-W363 HydrophobicContact CB-CH2 4.11Å; C353-W363 HydrophobicContact CB-CZ2 3.77Å; C353-W363 WeakPolarHBondContact SG-CZ2 3.34Å; C353-W363 PolarHBondContact SG-NE1 3.35Å; Y355-W363 HydrophobicContact CE1-CB 4.47Å; Y355-W363 AromaticContact CE1-CD1 3.52Å; Y355-W363 AromaticContact CE1-CG 3.93Å; Y355-W363 HydrophobicContact CE1-CG 3.93Å; Y355-W363 AromaticContact CE1-NE1 3.96Å; Y355-W363 AromaticContact CZ-CD1 3.92Å; Y355-W363 WeakPolarHBondContact OH-CB 3.4Å; D360-W363 HydrophobicContact CB-CB 3.7Å; D360-W363 VanDerWaalsContact CG-CB 3.49Å; D360-W363 WeakPolarHBondContact OD1-CB 3.49Å; D360-W363 PolarHBondContact OD1-N 3.07Å; W363-V365 PolarHBondContact O-N 2.78Å; W363-L366 PolarHBondContact O-N 2.83Å; W363-A367 HydrophobicContact CE3-CB 4.48Å; W363-A367 HydrophobicContact CH2-CB 4.07Å; W363-A367 HydrophobicContact CZ2-CB 4.25Å; W363-A367 HydrophobicContact CZ3-CB 4.19Å; W363-A367 WeakPolarHBondContact O-CB 3.32Å; W363-A367 PolarHBondContact O-N 3.23Å
364S98Very high98Very high0 Ų09 Ų90%04%0.038CC..Hα-helixtrans-61.8-43179.8-63.10000111.9I351 D360 C361 I362 A367 W368I351-S364 PolarHBondContact O-OG 3.27Å; D360-S364 WeakPolarHBondContact O-CB 3.24Å; D360-S364 PolarHBondContact O-N 3.49Å; D360-S364 PolarHBondContact O-OG 2.86Å; C361-S364 WeakPolarHBondContact O-CB 3.33Å; C361-S364 PolarHBondContact O-N 3.16Å; I362-S364 VanDerWaalsContact C-N 3.26Å; I362-S364 PolarHBondContact O-N 3.23Å; S364-A367 PolarHBondContact O-N 3.25Å; S364-W368 PolarHBondContact O-N 2.95Å
365V98.4Very high98.1Very high0 Ų012.5 Ų12.50%05%0.049CC..Hα-helixtrans-65.4-45.3175.1174.70000111.7I194 F209 L254 A256 F258 I267 C361 I362 W363 A367 W368 L369I194-V365 HydrophobicContact CD1-CG1 4.43Å; F209-V365 HydrophobicContact CE1-CG1 3.72Å; F209-V365 HydrophobicContact CZ-CB 4.12Å; F209-V365 HydrophobicContact CZ-CG1 3.68Å; L254-V365 HydrophobicContact CD2-CG1 4.2Å; A256-V365 HydrophobicContact CB-CG2 3.55Å; F258-V365 HydrophobicContact CE1-CG2 3.6Å; F258-V365 HydrophobicContact CZ-CB 4.44Å; F258-V365 HydrophobicContact CZ-CG2 3.66Å; I267-V365 HydrophobicContact CD1-CG2 3.54Å; C361-V365 PolarHBondContact O-N 3.11Å; I362-V365 PolarHBondContact O-N 3.03Å; W363-V365 PolarHBondContact O-N 2.78Å; V365-A367 VanDerWaalsContact C-N 3.29Å; V365-A367 PolarHBondContact O-N 3.13Å; V365-W368 PolarHBondContact O-N 2.99Å; V365-L369 HydrophobicContact CG1-CD1 4.03Å; V365-L369 HydrophobicContact CG1-CG 4.38Å; V365-L369 WeakPolarHBondContact O-CG 3.45Å; V365-L369 PolarHBondContact O-N 3.22Å
366L98.7Very high98Very high0 Ų019.4 Ų19.40%08%0.079CC..Hα-helixtrans-63.2-35.4177.5-69.3173000112.3M168 F172 L177 F209 L213 I362 W363 T370M168-L366 HydrophobicContact CB-CD1 3.95Å; M168-L366 HydrophobicContact CG-CD1 4Å; M168-L366 HydrophobicContact SD-CD1 4.01Å; F172-L366 HydrophobicContact CD1-CB 4.16Å; F172-L366 HydrophobicContact CD2-CB 3.86Å; F172-L366 HydrophobicContact CD2-CD1 3.75Å; F172-L366 HydrophobicContact CD2-CG 4.42Å; F172-L366 HydrophobicContact CE1-CB 3.89Å; F172-L366 HydrophobicContact CE2-CB 3.56Å; F172-L366 HydrophobicContact CE2-CD1 3.77Å; F172-L366 HydrophobicContact CE2-CG 4.33Å; F172-L366 HydrophobicContact CG-CB 4.15Å; F172-L366 HydrophobicContact CZ-CB 3.57Å; L177-L366 HydrophobicContact CD1-CD2 3.88Å; F209-L366 HydrophobicContact CE1-CD2 3.89Å; F209-L366 HydrophobicContact CE1-CG 4.47Å; F209-L366 HydrophobicContact CZ-CD2 4.07Å; F209-L366 HydrophobicContact CZ-CG 4.2Å; L213-L366 HydrophobicContact CD1-CD2 3.73Å; I362-L366 HydrophobicContact CG2-CD1 3.95Å; I362-L366 HydrophobicContact CG2-CG 4.38Å; I362-L366 WeakPolarHBondContact O-CG 3.48Å; I362-L366 PolarHBondContact O-N 3.41Å; W363-L366 PolarHBondContact O-N 2.83Å; L366-T370 WeakPolarHBondContact O-CB 3.25Å; L366-T370 PolarHBondContact O-N 3.1Å; L366-T370 PolarHBondContact O-OG1 2.88Å
367A98.5Very high98Very high0 Ų022 Ų220%09%0.092CC..Hα-helixtrans-64.2-47173.300000111F172 L284 L291 W363 S364 V365 L369 T370 V371F172-A367 HydrophobicContact CE1-CB 4.17Å; F172-A367 HydrophobicContact CZ-CB 4.35Å; L284-A367 HydrophobicContact CD1-CB 4.24Å; L284-A367 HydrophobicContact CD2-CB 3.79Å; L291-A367 HydrophobicContact CD1-CB 4.41Å; L291-A367 HydrophobicContact CD2-CB 4Å; W363-A367 HydrophobicContact CE3-CB 4.48Å; W363-A367 HydrophobicContact CH2-CB 4.07Å; W363-A367 HydrophobicContact CZ2-CB 4.25Å; W363-A367 HydrophobicContact CZ3-CB 4.19Å; W363-A367 WeakPolarHBondContact O-CB 3.32Å; W363-A367 PolarHBondContact O-N 3.23Å; S364-A367 PolarHBondContact O-N 3.25Å; V365-A367 VanDerWaalsContact C-N 3.29Å; V365-A367 PolarHBondContact O-N 3.13Å; A367-L369 PolarHBondContact O-N 3.06Å; A367-T370 WeakPolarHBondContact O-CB 3.42Å; A367-T370 PolarHBondContact O-N 3.32Å; A367-V371 WeakPolarHBondContact O-CG2 3.29Å; A367-V371 PolarHBondContact O-N 3.28Å
368W98.6Very high98Very high0 Ų022 Ų220%010%0.095CC..Hα-helixtrans-58.9-46.3174.2-95.6102.2000113.2L254 I267 V275 S280 V283 S364 V365 T370 V371 V372 V379 I382 M383L254-W368 HydrophobicContact CD1-CB 4.18Å; I267-W368 HydrophobicContact CG2-CD2 4.35Å; I267-W368 HydrophobicContact CG2-CG 4.26Å; V275-W368 HydrophobicContact CG1-CH2 4.25Å; V275-W368 HydrophobicContact CG1-CZ2 3.68Å; S280-W368 PolarHBondContact OG-NE1 2.92Å; V283-W368 HydrophobicContact CB-CH2 4.02Å; V283-W368 HydrophobicContact CB-CZ2 4.04Å; V283-W368 HydrophobicContact CG1-CH2 3.61Å; V283-W368 HydrophobicContact CG1-CZ2 3.98Å; V283-W368 HydrophobicContact CG1-CZ3 4.09Å; V283-W368 HydrophobicContact CG2-CH2 4.26Å; S364-W368 PolarHBondContact O-N 2.95Å; V365-W368 PolarHBondContact O-N 2.99Å; W368-T370 VanDerWaalsContact C-N 3.25Å; W368-T370 PolarHBondContact O-N 3.09Å; W368-V371 PolarHBondContact O-N 3.06Å; W368-V371 VanDerWaalsContact O-N 3.11Å; W368-V372 WeakPolarHBondContact O-CG2 3.31Å; W368-V372 PolarHBondContact O-N 2.98Å; W368-V379 HydrophobicContact CE3-CG2 4.46Å; W368-V379 HydrophobicContact CH2-CG1 4.31Å; W368-V379 HydrophobicContact CZ3-CG1 4Å; W368-I382 HydrophobicContact CH2-CG2 4.39Å; W368-I382 HydrophobicContact CZ3-CB 4.48Å; W368-I382 HydrophobicContact CZ3-CD1 4.41Å; W368-I382 HydrophobicContact CZ3-CG2 4.12Å; W368-M383 HydrophobicContact CH2-CG 4.24Å; W368-M383 HydrophobicContact CH2-SD 3.92Å; W368-M383 HydrophobicContact CZ2-SD 4.4Å
369L98.6Very high98Very high0 Ų021.8 Ų21.80%09%0.094CC..Hα-helixtrans-61.2-36.4176.5-68.6170.6000111.9L177 L180 F181 F190 V192 F209 L254 V365 A367 V372 A373L177-L369 HydrophobicContact CD2-CB 3.77Å; L180-L369 HydrophobicContact CD2-CB 4.28Å; L180-L369 HydrophobicContact CD2-CD2 4Å; F181-L369 HydrophobicContact CE2-CD1 4.04Å; F181-L369 HydrophobicContact CZ-CD1 3.84Å; F190-L369 HydrophobicContact CD1-CD2 4.1Å; F190-L369 HydrophobicContact CE1-CD2 3.63Å; V192-L369 HydrophobicContact CG1-CD1 4.5Å; V192-L369 HydrophobicContact CG1-CD2 3.78Å; F209-L369 HydrophobicContact CD1-CD1 4.36Å; F209-L369 HydrophobicContact CE1-CD1 3.77Å; L254-L369 HydrophobicContact CD1-CD2 4.17Å; V365-L369 HydrophobicContact CG1-CD1 4.03Å; V365-L369 HydrophobicContact CG1-CG 4.38Å; V365-L369 WeakPolarHBondContact O-CG 3.45Å; V365-L369 PolarHBondContact O-N 3.22Å; A367-L369 PolarHBondContact O-N 3.06Å; L369-V372 PolarHBondContact O-N 2.8Å; L369-A373 VanDerWaalsContact O-CB 3.27Å; L369-A373 WeakPolarHBondContact O-CB 3.21Å; L369-A373 PolarHBondContact O-N 3.07Å
370T98.4Very high98Very high0 Ų022.9 Ų22.90%010%0.1CC..Hα-helixtrans-63.2-45.5173.7-59.70000111.1L176 L291 L366 A367 W368 A373 R374L176-T370 HydrophobicContact CD2-CG2 4.24Å; L291-T370 HydrophobicContact CD2-CG2 3.91Å; L366-T370 WeakPolarHBondContact O-CB 3.25Å; L366-T370 PolarHBondContact O-N 3.1Å; L366-T370 PolarHBondContact O-OG1 2.88Å; A367-T370 WeakPolarHBondContact O-CB 3.42Å; A367-T370 PolarHBondContact O-N 3.32Å; W368-T370 VanDerWaalsContact C-N 3.25Å; W368-T370 PolarHBondContact O-N 3.09Å; T370-A373 PolarHBondContact O-N 3.29Å; T370-R374 HydrophobicContact CG2-CG 4.34Å; T370-R374 WeakPolarHBondContact O-CB 3.39Å; T370-R374 VanDerWaalsContact O-CG 3.23Å; T370-R374 WeakPolarHBondContact O-CG 3.46Å; T370-R374 PolarHBondContact O-N 2.9Å
371V98.3Very high98Very high0 Ų028 Ų280%012%0.124CC..Hα-helixtrans-61.7-47.1177.1178.30000110.6V283 L284 A367 W368 A373 R374 R375 I382V283-V371 HydrophobicContact CG1-CG1 4.48Å; L284-V371 HydrophobicContact CD2-CG2 4.06Å; A367-V371 WeakPolarHBondContact O-CG2 3.29Å; A367-V371 PolarHBondContact O-N 3.28Å; W368-V371 PolarHBondContact O-N 3.06Å; W368-V371 VanDerWaalsContact O-N 3.11Å; V371-A373 PolarHBondContact O-N 3.24Å; V371-R374 PolarHBondContact O-N 3.49Å; V371-R375 HydrophobicContact CG1-CG 3.92Å; V371-R375 VanDerWaalsContact O-CB 3.28Å; V371-R375 WeakPolarHBondContact O-CB 3.16Å; V371-R375 VanDerWaalsContact O-CG 3.24Å; V371-R375 WeakPolarHBondContact O-CG 3.38Å; V371-R375 PolarHBondContact O-N 2.88Å; V371-I382 HydrophobicContact CG1-CD1 4.09Å; V371-I382 HydrophobicContact CG1-CG2 4.34Å
372V98.3Very high98Very high2 Ų228.5 Ų28.51%0.01213%0.126CC..Hα-helixtrans-57.1-49.4176167.60000111.2L180 F190 W368 L369 R374 R375 K376 V379 I382L180-V372 HydrophobicContact CD1-CG1 4.25Å; L180-V372 HydrophobicContact CD2-CG1 4.24Å; F190-V372 HydrophobicContact CD2-CG1 4.38Å; F190-V372 HydrophobicContact CE2-CG1 3.56Å; F190-V372 HydrophobicContact CZ-CG1 3.75Å; W368-V372 WeakPolarHBondContact O-CG2 3.31Å; W368-V372 PolarHBondContact O-N 2.98Å; L369-V372 PolarHBondContact O-N 2.8Å; V372-R374 VanDerWaalsContact C-N 3.35Å; V372-R374 PolarHBondContact O-N 3.24Å; V372-R375 PolarHBondContact O-N 3.2Å; V372-K376 WeakPolarHBondContact O-CA 3.36Å; V372-K376 PolarHBondContact O-N 3.46Å; V372-V379 HydrophobicContact CG2-CG2 4.21Å; V372-I382 HydrophobicContact CG2-CD1 3.8Å
373A98.1Very high98Very high3 Ų328.5 Ų28.53%0.02513%0.126CC..Hα-helixtrans-60.6-41.7179.500000112.6L176 L180 I185 L369 T370 V371L176-A373 HydrophobicContact CD1-CB 4Å; L176-A373 HydrophobicContact CD2-CB 3.83Å; L176-A373 HydrophobicContact CG-CB 3.74Å; L180-A373 HydrophobicContact CB-CB 4.2Å; L180-A373 HydrophobicContact CD1-CB 4.4Å; L180-A373 HydrophobicContact CD2-CB 4.12Å; L180-A373 HydrophobicContact CG-CB 4.46Å; I185-A373 HydrophobicContact CD1-CB 3.81Å; L369-A373 VanDerWaalsContact O-CB 3.27Å; L369-A373 WeakPolarHBondContact O-CB 3.21Å; L369-A373 PolarHBondContact O-N 3.07Å; T370-A373 PolarHBondContact O-N 3.29Å; V371-A373 PolarHBondContact O-N 3.24Å
374R97.4Very high98Very high109 Ų10932 Ų3241%0.41114%0.139SC..Hα-helixtrans-75.2-40.5-178.9-67.8-70.5-172.3-161.7-10.8112.4D173 L176 T370 V371 V372D173-R374 IonicContact OD2-NH2 2.92Å; D173-R374 PolarHBondContact OD2-NH2 2.9Å; L176-R374 HydrophobicContact CD2-CG 3.99Å; T370-R374 HydrophobicContact CG2-CG 4.34Å; T370-R374 WeakPolarHBondContact O-CB 3.39Å; T370-R374 VanDerWaalsContact O-CG 3.23Å; T370-R374 WeakPolarHBondContact O-CG 3.46Å; T370-R374 PolarHBondContact O-N 2.9Å; V371-R374 PolarHBondContact O-N 3.49Å; V372-R374 VanDerWaalsContact C-N 3.35Å; V372-R374 PolarHBondContact O-N 3.24Å
375R96.6Very high97.9Very high92 Ų9239.5 Ų39.535%0.34717%0.167SC..Hα-helixtrans-81.2-23.1-178.3-62.6-66.6-171.2-150.9-0.4112.6S287 V371 V372 M377 I382S287-R375 PolarHBondContact OG-NH2 2.67Å; V371-R375 HydrophobicContact CG1-CG 3.92Å; V371-R375 VanDerWaalsContact O-CB 3.28Å; V371-R375 WeakPolarHBondContact O-CB 3.16Å; V371-R375 VanDerWaalsContact O-CG 3.24Å; V371-R375 WeakPolarHBondContact O-CG 3.38Å; V371-R375 PolarHBondContact O-N 2.88Å; V372-R375 PolarHBondContact O-N 3.2Å; R375-M377 VanDerWaalsContact C-N 3.29Å; R375-M377 HydrophobicContact CB-CB 4.27Å; R375-M377 HydrophobicContact CB-CG 4.4Å; R375-M377 HydrophobicContact CB-SD 4.43Å; R375-M377 PolarHBondContact O-N 3.44Å; R375-I382 HydrophobicContact CB-CD1 4.44Å; R375-I382 HydrophobicContact CB-CG1 4.38Å
376K96.7Very high97.9Very high152 Ų15239.8 Ų39.866%0.66117%0.169SC*.THydrogen-bonded Turntrans54.745.9-174.9-51.6-175.5-178-174.60111.8I185 V372I185-K376 HydrophobicContact CG2-CD 4.33Å; I185-K376 HydrophobicContact CG2-CG 3.9Å; V372-K376 WeakPolarHBondContact O-CA 3.36Å; V372-K376 PolarHBondContact O-N 3.46Å
377M97Very high97.8Very high53 Ų5340.1 Ų40.126%0.26117%0.17SC..  trans-134.9149.7-175.4-75.1177.2176.200108.9R375 Q381 I382 R385R375-M377 VanDerWaalsContact C-N 3.29Å; R375-M377 HydrophobicContact CB-CB 4.27Å; R375-M377 HydrophobicContact CB-CG 4.4Å; R375-M377 HydrophobicContact CB-SD 4.43Å; R375-M377 PolarHBondContact O-N 3.44Å; M377-Q381 HydrophobicContact CB-CB 3.98Å; M377-Q381 HydrophobicContact CG-CB 4.37Å; M377-I382 HydrophobicContact CB-CD1 4.22Å; M377-I382 HydrophobicContact CB-CG1 3.68Å; M377-R385 VanDerWaalsContact CE-NH1 3.35Å
378S97.4Very high97.7Very high21 Ų2141.4 Ų41.415%0.14718%0.184CC..  trans-65.9161.1168.873.30000110.8E270 E380 Q381 I382E270-S378 VanDerWaalsContact OE2-CB 3.23Å; E270-S378 WeakPolarHBondContact OE2-CB 3.38Å; S378-E380 VanDerWaalsContact C-N 3.26Å; S378-E380 PolarHBondContact O-N 3.49Å; S378-Q381 PolarHBondContact O-N 2.97Å; S378-Q381 VanDerWaalsContact O-N 3.13Å; S378-Q381 WeakPolarHBondContact OG-CG 3.41Å; S378-Q381 PolarHBondContact OG-N 3.33Å; S378-I382 WeakPolarHBondContact O-CG1 3.46Å; S378-I382 PolarHBondContact O-N 3.15Å
379V98.4Very high97.6Very high0 Ų043.8 Ų43.80%020%0.203CC..Hα-helixtrans-54.2-45.5176.5174.70000110.9L254 F273 V275 W368 V372 Q381 I382 M383L254-V379 HydrophobicContact CD1-CG2 4.06Å; F273-V379 HydrophobicContact CD1-CG1 4.35Å; V275-V379 HydrophobicContact CG2-CG1 3.4Å; W368-V379 HydrophobicContact CE3-CG2 4.46Å; W368-V379 HydrophobicContact CH2-CG1 4.31Å; W368-V379 HydrophobicContact CZ3-CG1 4Å; V372-V379 HydrophobicContact CG2-CG2 4.21Å; V379-Q381 PolarHBondContact O-N 3.33Å; V379-I382 PolarHBondContact O-N 3.44Å; V379-M383 WeakPolarHBondContact O-CG 3.48Å; V379-M383 PolarHBondContact O-N 3.14Å
380E98Very high97.5Very high43 Ų4344.7 Ų44.720%0.20121%0.207CC..Hα-helixtrans-61.3-43.8177.4179.5-179.7179.800112.2F273 S378 I382 M383 R384F273-E380 HydrophobicContact CB-CB 4.5Å; F273-E380 HydrophobicContact CD1-CB 4.04Å; F273-E380 HydrophobicContact CD2-CB 4.06Å; F273-E380 HydrophobicContact CD2-CG 3.77Å; F273-E380 HydrophobicContact CE1-CB 4.29Å; F273-E380 HydrophobicContact CE2-CB 4.3Å; F273-E380 HydrophobicContact CE2-CG 3.76Å; F273-E380 HydrophobicContact CG-CB 3.92Å; F273-E380 HydrophobicContact CG-CG 4.18Å; F273-E380 HydrophobicContact CZ-CB 4.4Å; F273-E380 HydrophobicContact CZ-CG 4.16Å; S378-E380 VanDerWaalsContact C-N 3.26Å; S378-E380 PolarHBondContact O-N 3.49Å; E380-I382 VanDerWaalsContact C-N 3.34Å; E380-I382 PolarHBondContact O-N 3.19Å; E380-M383 PolarHBondContact O-N 3.15Å; E380-R384 HydrophobicContact CG-CG 4.32Å; E380-R384 WeakPolarHBondContact O-CB 3.25Å; E380-R384 WeakPolarHBondContact O-CG 3.42Å; E380-R384 PolarHBondContact O-N 2.98Å; E380-R384 IonicContact OE1-CZ 3.41Å; E380-R384 IonicContact OE1-NE 3.51Å; E380-R384 PolarHBondContact OE1-NE 3.27Å; E380-R384 IonicContact OE1-NH2 2.94Å; E380-R384 PolarHBondContact OE1-NH2 3.46Å
381Q98.1Very high97.5Very high109 Ų10944.9 Ų44.951%0.50921%0.209SC..Hα-helixtrans-63-41.4178.2-74.7172.6-22.500111.9M377 S378 V379 R385M377-Q381 HydrophobicContact CB-CB 3.98Å; M377-Q381 HydrophobicContact CG-CB 4.37Å; S378-Q381 PolarHBondContact O-N 2.97Å; S378-Q381 VanDerWaalsContact O-N 3.13Å; S378-Q381 WeakPolarHBondContact OG-CG 3.41Å; S378-Q381 PolarHBondContact OG-N 3.33Å; V379-Q381 PolarHBondContact O-N 3.33Å; Q381-R385 VanDerWaalsContact O-CB 3.26Å; Q381-R385 WeakPolarHBondContact O-CB 3.32Å; Q381-R385 PolarHBondContact O-N 2.8Å
382I98.4Very high97.4Very high11 Ų1146.3 Ų46.36%0.05622%0.215CC..Hα-helixtrans-60.5-49.2175.5-67.7161.4000109.7V283 W368 V371 V372 R375 M377 S378 V379 E380 R385 H386V283-I382 HydrophobicContact CG1-CG2 3.64Å; W368-I382 HydrophobicContact CH2-CG2 4.39Å; W368-I382 HydrophobicContact CZ3-CB 4.48Å; W368-I382 HydrophobicContact CZ3-CD1 4.41Å; W368-I382 HydrophobicContact CZ3-CG2 4.12Å; V371-I382 HydrophobicContact CG1-CD1 4.09Å; V371-I382 HydrophobicContact CG1-CG2 4.34Å; V372-I382 HydrophobicContact CG2-CD1 3.8Å; R375-I382 HydrophobicContact CB-CD1 4.44Å; R375-I382 HydrophobicContact CB-CG1 4.38Å; M377-I382 HydrophobicContact CB-CD1 4.22Å; M377-I382 HydrophobicContact CB-CG1 3.68Å; S378-I382 WeakPolarHBondContact O-CG1 3.46Å; S378-I382 PolarHBondContact O-N 3.15Å; V379-I382 PolarHBondContact O-N 3.44Å; E380-I382 VanDerWaalsContact C-N 3.34Å; E380-I382 PolarHBondContact O-N 3.19Å; I382-R385 PolarHBondContact O-N 3.09Å; I382-H386 WeakPolarHBondContact O-CB 3.07Å; I382-H386 PolarHBondContact O-N 3.01Å
383M98Very high97.4Very high1 Ų146.4 Ų46.41%0.00522%0.215CC..Hα-helixtrans-61.4-48.8179.5-77.6-53.8-4800112.8F273 V275 D279 V283 W368 V379 E380 R385 H386 W387F273-M383 HydrophobicContact CE1-CB 3.78Å; F273-M383 HydrophobicContact CE1-CG 3.76Å; F273-M383 HydrophobicContact CZ-CB 3.9Å; F273-M383 HydrophobicContact CZ-CG 4.34Å; V275-M383 HydrophobicContact CG1-CG 4.49Å; V275-M383 HydrophobicContact CG1-SD 4.01Å; V275-M383 HydrophobicContact CG2-CG 4.27Å; D279-M383 HydrophobicContact CB-CE 3.44Å; D279-M383 VanDerWaalsContact CB-CE 3.44Å; D279-M383 HydrophobicContact CB-SD 4.23Å; D279-M383 VanDerWaalsContact CG-CE 3.41Å; V283-M383 HydrophobicContact CB-SD 4.48Å; V283-M383 HydrophobicContact CG2-CE 4.31Å; V283-M383 HydrophobicContact CG2-SD 3.41Å; V283-M383 WeakPolarHBondContact CG2-SD 3.47Å; W368-M383 HydrophobicContact CH2-CG 4.24Å; W368-M383 HydrophobicContact CH2-SD 3.92Å; W368-M383 HydrophobicContact CZ2-SD 4.4Å; V379-M383 WeakPolarHBondContact O-CG 3.48Å; V379-M383 PolarHBondContact O-N 3.14Å; E380-M383 PolarHBondContact O-N 3.15Å; M383-R385 VanDerWaalsContact C-N 3.28Å; M383-R385 PolarHBondContact O-N 3.26Å; M383-H386 WeakPolarHBondContact O-CB 3.3Å; M383-H386 PolarHBondContact O-N 3.46Å; M383-H386 VanDerWaalsContact O-N 3.12Å; M383-W387 HydrophobicContact CB-CZ2 4.43Å; M383-W387 HydrophobicContact CE-CD2 4.38Å; M383-W387 VanDerWaalsContact CE-CE2 3.44Å; M383-W387 HydrophobicContact CE-CZ2 3.59Å; M383-W387 PolarHBondContact O-N 2.91Å
384R97.2Very high97.4Very high77 Ų7746.3 Ų46.329%0.29122%0.215SC..Hα-helixtrans-62.5-36.8178.3-69.8-173.7-171.7-64.8-5.5112E380 W387 G388E380-R384 HydrophobicContact CG-CG 4.32Å; E380-R384 WeakPolarHBondContact O-CB 3.25Å; E380-R384 WeakPolarHBondContact O-CG 3.42Å; E380-R384 PolarHBondContact O-N 2.98Å; E380-R384 IonicContact OE1-CZ 3.41Å; E380-R384 IonicContact OE1-NE 3.51Å; E380-R384 PolarHBondContact OE1-NE 3.27Å; E380-R384 IonicContact OE1-NH2 2.94Å; E380-R384 PolarHBondContact OE1-NH2 3.46Å; R384-W387 HydrophobicContact CG-CE3 4.25Å; R384-W387 HydrophobicContact CG-CZ3 4.24Å; R384-G388 PolarHBondContact O-N 3.31Å
385R97.1Very high97.3Very high156 Ų15641.8 Ų41.859%0.58920%0.198SC*.Hα-helixtrans-66.4-42.3174.1-175.7176.2-179.2173.91.8111.4M377 Q381 I382 M383 G388 A389M377-R385 VanDerWaalsContact CE-NH1 3.35Å; Q381-R385 VanDerWaalsContact O-CB 3.26Å; Q381-R385 WeakPolarHBondContact O-CB 3.32Å; Q381-R385 PolarHBondContact O-N 2.8Å; I382-R385 PolarHBondContact O-N 3.09Å; M383-R385 VanDerWaalsContact C-N 3.28Å; M383-R385 PolarHBondContact O-N 3.26Å; R385-G388 PolarHBondContact O-N 2.95Å; R385-A389 PolarHBondContact O-N 3.27Å; R385-A389 VanDerWaalsContact O-N 3.17Å
386H97.4Very high97.2Very high7 Ų737.8 Ų37.83%0.03218%0.183CC..Hα-helixtrans-59.8-51.8176.5-170.277.1000110.9V283 D286 Q316 I382 M383 G388 A389 F390V283-H386 HydrophobicContact CG2-CB 3.91Å; D286-H386 IonicContact OD2-ND1 3.21Å; D286-H386 PolarHBondContact OD2-ND1 2.97Å; Q316-H386 PolarHBondContact NE2-CE1 2.76Å; Q316-H386 VanDerWaalsContact NE2-CE1 3.34Å; I382-H386 WeakPolarHBondContact O-CB 3.07Å; I382-H386 PolarHBondContact O-N 3.01Å; M383-H386 WeakPolarHBondContact O-CB 3.3Å; M383-H386 PolarHBondContact O-N 3.46Å; M383-H386 VanDerWaalsContact O-N 3.12Å; H386-G388 VanDerWaalsContact C-N 3.29Å; H386-G388 PolarHBondContact O-N 2.79Å; H386-A389 PolarHBondContact O-N 3.22Å; H386-F390 AromaticContact CE1-CD2 3.29Å; H386-F390 WeakPolarHBondContact CE1-CD2 3.33Å; H386-F390 AromaticContact CE1-CE2 3.51Å; H386-F390 AromaticContact CG-CD2 3.98Å; H386-F390 AromaticContact ND1-CD2 3.46Å; H386-F390 WeakPolarHBondContact ND1-CD2 3.42Å; H386-F390 AromaticContact ND1-CE2 3.56Å; H386-F390 AromaticContact NE2-CD2 3.74Å; H386-F390 WeakPolarHBondContact O-CD2 3.32Å; H386-F390 PolarHBondContact O-N 3.42Å
387W97.7Very high97.1Very high6 Ų632.7 Ų32.72%0.02316%0.16CC..Hα-helixtrans-58.1-39.8175.7-63.6-26.7000113F273 D279 M383 R384 A389 G391 R392 Q493F273-W387 HydrophobicContact CE2-CH2 4.26Å; F273-W387 AromaticContact CZ-CH2 3.66Å; F273-W387 HydrophobicContact CZ-CH2 3.66Å; F273-W387 HydrophobicContact CZ-CZ2 4.48Å; F273-W387 HydrophobicContact CZ-CZ3 4.16Å; D279-W387 PolarHBondContact OD1-NE1 2.98Å; D279-W387 VanDerWaalsContact OD1-NE1 3.16Å; D279-W387 PolarHBondContact OD2-NE1 2.99Å; M383-W387 HydrophobicContact CB-CZ2 4.43Å; M383-W387 HydrophobicContact CE-CD2 4.38Å; M383-W387 VanDerWaalsContact CE-CE2 3.44Å; M383-W387 HydrophobicContact CE-CZ2 3.59Å; M383-W387 PolarHBondContact O-N 2.91Å; R384-W387 HydrophobicContact CG-CE3 4.25Å; R384-W387 HydrophobicContact CG-CZ3 4.24Å; W387-A389 PolarHBondContact O-N 2.82Å; W387-G391 WeakPolarHBondContact CA-O 3.36Å; W387-G391 CarbonylContact O-C 3.59Å; W387-G391 WeakPolarHBondContact O-CA 3.26Å; W387-G391 PolarHBondContact O-N 3.03Å; W387-R392 HydrophobicContact CB-CB 4.08Å; W387-R392 HydrophobicContact CD2-CB 4.29Å; W387-R392 HydrophobicContact CD2-CG 3.92Å; W387-R392 HydrophobicContact CG-CB 3.81Å; W387-R392 HydrophobicContact CG-CG 3.9Å; W387-R392 HydrophobicContact CZ2-CG 4.43Å; W387-Q493 PolarHBondContact O-NE2 2.7Å; W387-Q493 VanDerWaalsContact O-NE2 3.08Å; W387-Q493 PolarHBondContact O-OE1 3.42Å
388G96.7Very high97Very high28 Ų2832.4 Ų32.429%0.28916%0.156SC..Hα-helixtrans-64.9-23.6176.400000114.4R384 R385 H386 K490R384-G388 PolarHBondContact O-N 3.31Å; R385-G388 PolarHBondContact O-N 2.95Å; H386-G388 VanDerWaalsContact C-N 3.29Å; H386-G388 PolarHBondContact O-N 2.79Å; G388-K490 WeakPolarHBondContact O-CE 3.16Å
389A96.3Very high96.8Very high49 Ų4931.7 Ų31.741%0.40515%0.151SC..Hα-helixtrans-95-30.5-177.900000114K317 R385 H386 W387K317-A389 PolarHBondContact NZ-O 2.83Å; K317-A389 VanDerWaalsContact NZ-O 3.09Å; R385-A389 PolarHBondContact O-N 3.27Å; R385-A389 VanDerWaalsContact O-N 3.17Å; H386-A389 PolarHBondContact O-N 3.22Å; W387-A389 PolarHBondContact O-N 2.82Å
390F96.7Very high96.7Very high19 Ų1931.7 Ų31.78%0.08315%0.151CC..Hα-helixtrans-121.1-10.9-171.7-61.7-75.6000114.4D286 R315 K317 H386 Y486D286-F390 HydrophobicContact CB-CE2 4.43Å; D286-F390 WeakPolarHBondContact OD1-CZ 3.17Å; R315-F390 HydrophobicContact CB-CB 4.19Å; R315-F390 HydrophobicContact CB-CD1 4.39Å; R315-F390 WeakPolarHBondContact O-CD1 3.36Å; R315-F390 WeakPolarHBondContact O-CE1 3.36Å; K317-F390 HydrophobicContact CB-CE1 4.23Å; K317-F390 HydrophobicContact CD-CD1 4.44Å; K317-F390 HydrophobicContact CD-CE1 3.82Å; K317-F390 HydrophobicContact CG-CD1 4.47Å; K317-F390 HydrophobicContact CG-CE1 3.82Å; H386-F390 AromaticContact CE1-CD2 3.29Å; H386-F390 WeakPolarHBondContact CE1-CD2 3.33Å; H386-F390 AromaticContact CE1-CE2 3.51Å; H386-F390 AromaticContact CG-CD2 3.98Å; H386-F390 AromaticContact ND1-CD2 3.46Å; H386-F390 WeakPolarHBondContact ND1-CD2 3.42Å; H386-F390 AromaticContact ND1-CE2 3.56Å; H386-F390 AromaticContact NE2-CD2 3.74Å; H386-F390 WeakPolarHBondContact O-CD2 3.32Å; H386-F390 PolarHBondContact O-N 3.42Å; F390-Y486 PolarHBondContact O-OH 2.95Å
391G97.2Very high96.4Very high5 Ų532.7 Ų32.75%0.05216%0.156CC..  trans87.6166.1-162.500000111.1W387W387-G391 WeakPolarHBondContact CA-O 3.36Å; W387-G391 CarbonylContact O-C 3.59Å; W387-G391 WeakPolarHBondContact O-CA 3.26Å; W387-G391 PolarHBondContact O-N 3.03Å
392R97.8Very high96.1Very high29 Ų2932.5 Ų32.511%0.10916%0.158CC..EExtended strand (participates in β ladder)trans-108.4123175.8-177.5174.2-178.5-160.8-6.3109.8W387 V394 V487 Q493 L495W387-R392 HydrophobicContact CB-CB 4.08Å; W387-R392 HydrophobicContact CD2-CB 4.29Å; W387-R392 HydrophobicContact CD2-CG 3.92Å; W387-R392 HydrophobicContact CG-CB 3.81Å; W387-R392 HydrophobicContact CG-CG 3.9Å; W387-R392 HydrophobicContact CZ2-CG 4.43Å; R392-V394 HydrophobicContact CG-CG2 3.86Å; R392-V394 PolarHBondContact O-N 2.97Å; R392-V487 HydrophobicContact CB-CB 4.48Å; R392-V487 PolarHBondContact N-O 2.92Å; R392-V487 PolarHBondContact O-N 2.83Å; R392-Q493 HydrophobicContact CB-CG 3.84Å; R392-Q493 PolarHBondContact NH1-O 2.87Å; R392-L495 PolarHBondContact NH1-O 2.87Å
393N97.8Very high95.9Very high4 Ų432.3 Ų32.32%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-87.593.2166.7-77.882.5000108.2A310 A312 F395 D484A310-N393 HydrophobicContact CB-CB 4.14Å; A312-N393 WeakPolarHBondContact CA-OD1 3.37Å; A312-N393 HydrophobicContact CB-CB 4Å; N393-F395 PolarHBondContact O-N 2.9Å; N393-D484 WeakPolarHBondContact CB-OD1 3.5Å; N393-D484 PolarHBondContact ND2-OD1 3.01Å
394V97.4Very high95.7Very high2 Ų236.8 Ų36.81%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-73102.1177.8-176.80000108.1R392 Y485 V487 A497 L500 A501R392-V394 HydrophobicContact CG-CG2 3.86Å; R392-V394 PolarHBondContact O-N 2.97Å; V394-Y485 HydrophobicContact CB-CD1 4.42Å; V394-Y485 WeakPolarHBondContact CB-O 3.49Å; V394-Y485 PolarHBondContact N-O 3.21Å; V394-Y485 PolarHBondContact O-N 3.32Å; V394-V487 HydrophobicContact CG2-CG2 3.86Å; V394-A497 HydrophobicContact CG1-CB 3.66Å; V394-L500 HydrophobicContact CB-CB 4.48Å; V394-L500 HydrophobicContact CG1-CB 4.09Å; V394-L500 HydrophobicContact CG2-CB 4.04Å; V394-L500 HydrophobicContact CG2-CD1 3.64Å; V394-L500 HydrophobicContact CG2-CG 4.48Å; V394-A501 HydrophobicContact CG1-CB 4.08Å
395F96.1Very high95.5Very high13 Ų1333.6 Ų33.66%0.05717%0.171CC..EExtended strand (participates in β ladder)trans-99.9133.5-176.9-172.2-103.5000111.4P308 A310 E347 N393 R397 Y482 A483 D484P308-F395 WeakPolarHBondContact O-CE2 3.45Å; A310-F395 HydrophobicContact CB-CB 3.82Å; A310-F395 HydrophobicContact CB-CD2 3.51Å; A310-F395 HydrophobicContact CB-CE2 4.29Å; A310-F395 HydrophobicContact CB-CG 3.86Å; E347-F395 HydrophobicContact CB-CE1 3.61Å; E347-F395 HydrophobicContact CB-CZ 3.63Å; E347-F395 HydrophobicContact CG-CE1 4.2Å; E347-F395 HydrophobicContact CG-CZ 3.81Å; N393-F395 PolarHBondContact O-N 2.9Å; F395-R397 HydrophobicContact CE1-CB 4.37Å; F395-Y482 HydrophobicContact CE2-CD1 4.42Å; F395-Y482 AromaticContact CZ-CD1 3.84Å; F395-Y482 HydrophobicContact CZ-CD1 3.84Å; F395-A483 CarbonylContact C-O 3.58Å; F395-A483 WeakPolarHBondContact CA-O 3.43Å; F395-D484 HydrophobicContact CD2-CB 4.28Å
396I94.9Very high95.4Very high9 Ų929.1 Ų29.15%0.04617%0.167CC..EExtended strand (participates in β ladder)trans-140.5137.5171.2-68.3-169.8000108.8Y398 A483 A497 A501 I505 V526 T527I396-Y398 HydrophobicContact CG2-CD1 3.43Å; I396-Y398 VanDerWaalsContact CG2-CD1 3.43Å; I396-Y398 HydrophobicContact CG2-CE1 3.28Å; I396-A483 PolarHBondContact N-O 3.23Å; I396-A483 PolarHBondContact O-N 3.47Å; I396-A497 HydrophobicContact CD1-CB 4.27Å; I396-A497 HydrophobicContact CG1-CB 4.4Å; I396-A501 HydrophobicContact CD1-CB 3.76Å; I396-A501 HydrophobicContact CG1-CB 4.18Å; I396-I505 HydrophobicContact CB-CD1 4.46Å; I396-I505 HydrophobicContact CD1-CD1 4.19Å; I396-I505 HydrophobicContact CG2-CD1 4.11Å; I396-V526 HydrophobicContact CG2-CG1 4.14Å; I396-T527 CarbonylContact C-O 3.57Å; I396-T527 WeakPolarHBondContact CA-O 3.44Å
397R94.1Very high95.4Very high45 Ų4529.8 Ų29.817%0.1717%0.174CC..EExtended strand (participates in β ladder)trans-115.2131.1170.6-172.6-178.783.7-155.66.7110.7E347 F395 D399 I481 Y482 V526 T527E347-R397 IonicContact OE1-NH1 3.7Å; E347-R397 WeakPolarHBondContact OE2-CD 3.06Å; E347-R397 IonicContact OE2-CZ 2.8Å; E347-R397 IonicContact OE2-NE 3.6Å; E347-R397 IonicContact OE2-NH1 3.58Å; E347-R397 PolarHBondContact OE2-NH1 2.77Å; F395-R397 HydrophobicContact CE1-CB 4.37Å; R397-D399 WeakPolarHBondContact CD-OD1 3.44Å; R397-D399 WeakPolarHBondContact CG-OD1 3.36Å; R397-D399 IonicContact CZ-OD2 3.35Å; R397-D399 VanDerWaalsContact CZ-OD2 3.24Å; R397-D399 VanDerWaalsContact NE-CG 3.35Å; R397-D399 IonicContact NE-OD1 2.69Å; R397-D399 PolarHBondContact NE-OD1 3.1Å; R397-D399 VanDerWaalsContact NE-OD1 3.08Å; R397-D399 IonicContact NE-OD2 3.27Å; R397-D399 PolarHBondContact NE-OD2 3.24Å; R397-D399 IonicContact NH2-OD2 3.76Å; R397-D399 PolarHBondContact NH2-OD2 3.06Å; R397-I481 WeakPolarHBondContact CA-O 3.13Å; R397-Y482 HydrophobicContact CB-CD1 4.09Å; R397-Y482 HydrophobicContact CB-CE1 4.45Å; R397-Y482 HydrophobicContact CG-CD1 3.58Å; R397-Y482 HydrophobicContact CG-CE1 3.58Å; R397-Y482 HydrophobicContact CG-CG 4.42Å; R397-V526 WeakPolarHBondContact O-CA 3.48Å; R397-T527 PolarHBondContact N-O 3.05Å; R397-T527 PolarHBondContact O-N 2.83Å
398Y94.6Very high95.3Very high46 Ų4629.5 Ų29.518%0.1817%0.173CC..EExtended strand (participates in β ladder)trans-113.6120.2174.9-83.426.3000109.4I396 F400 C480 I481 I505 F509 P523 V526I396-Y398 HydrophobicContact CG2-CD1 3.43Å; I396-Y398 VanDerWaalsContact CG2-CD1 3.43Å; I396-Y398 HydrophobicContact CG2-CE1 3.28Å; Y398-F400 HydrophobicContact CD2-CE2 4.37Å; Y398-F400 HydrophobicContact CD2-CZ 4.45Å; Y398-C480 CarbonylContact O-C 3.52Å; Y398-C480 WeakPolarHBondContact O-CA 3.45Å; Y398-I481 PolarHBondContact N-O 3.17Å; Y398-I481 PolarHBondContact O-N 3.43Å; Y398-I505 HydrophobicContact CD2-CG2 4.31Å; Y398-I505 HydrophobicContact CE1-CD1 4.03Å; Y398-I505 HydrophobicContact CE2-CG2 3.76Å; Y398-F509 AromaticContact CD2-CE1 3.87Å; Y398-F509 HydrophobicContact CD2-CE1 3.87Å; Y398-F509 AromaticContact CD2-CZ 3.53Å; Y398-F509 HydrophobicContact CD2-CZ 3.53Å; Y398-F509 HydrophobicContact CE2-CE1 4.29Å; Y398-F509 HydrophobicContact CE2-CE2 4.39Å; Y398-F509 AromaticContact CE2-CZ 3.59Å; Y398-F509 HydrophobicContact CE2-CZ 3.59Å; Y398-P523 HydrophobicContact CD1-CG 4.31Å; Y398-P523 HydrophobicContact CD2-CB 3.95Å; Y398-P523 HydrophobicContact CD2-CG 3.55Å; Y398-P523 HydrophobicContact CE2-CG 3.85Å; Y398-P523 HydrophobicContact CG-CB 4.01Å; Y398-P523 HydrophobicContact CG-CG 3.81Å; Y398-V526 HydrophobicContact CD1-CB 4.41Å; Y398-V526 HydrophobicContact CD1-CG1 3.94Å; Y398-V526 HydrophobicContact CD1-CG2 3.94Å; Y398-V526 HydrophobicContact CE1-CB 4.31Å; Y398-V526 HydrophobicContact CE1-CG1 3.59Å; Y398-V526 HydrophobicContact CE1-CG2 3.78Å
399D93.3Very high95.2Very high7 Ų734 Ų344%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-108.1120179.4-57.7-35.9000110R397 E401 T478 C480 T524 V525R397-D399 WeakPolarHBondContact CD-OD1 3.44Å; R397-D399 WeakPolarHBondContact CG-OD1 3.36Å; R397-D399 IonicContact CZ-OD2 3.35Å; R397-D399 VanDerWaalsContact CZ-OD2 3.24Å; R397-D399 VanDerWaalsContact NE-CG 3.35Å; R397-D399 IonicContact NE-OD1 2.69Å; R397-D399 PolarHBondContact NE-OD1 3.1Å; R397-D399 VanDerWaalsContact NE-OD1 3.08Å; R397-D399 IonicContact NE-OD2 3.27Å; R397-D399 PolarHBondContact NE-OD2 3.24Å; R397-D399 IonicContact NH2-OD2 3.76Å; R397-D399 PolarHBondContact NH2-OD2 3.06Å; D399-E401 HydrophobicContact CB-CG 4.48Å; D399-T478 HydrophobicContact CB-CG2 4.37Å; D399-C480 PolarHBondContact OD1-SG 2.99Å; D399-T524 WeakPolarHBondContact O-CA 3.41Å; D399-T524 WeakPolarHBondContact O-CB 3.28Å; D399-T524 PolarHBondContact O-N 3.35Å; D399-V525 HydrophobicContact CB-CB 4.2Å; D399-V525 PolarHBondContact N-O 3.21Å; D399-V525 PolarHBondContact O-N 3.33Å
400F95.6Very high95.2Very high0 Ų037.2 Ų37.20%019%0.188CC..EExtended strand (participates in β ladder)trans-102.890.3173.8-65.5-99.9000108.4Y398 C403 T478 V479 I481 F509 I514 V518 R520 P523Y398-F400 HydrophobicContact CD2-CE2 4.37Å; Y398-F400 HydrophobicContact CD2-CZ 4.45Å; F400-C403 VanDerWaalsContact C-SG 3.55Å; F400-C403 PolarHBondContact O-SG 2.79Å; F400-T478 VanDerWaalsContact O-CA 3.3Å; F400-T478 WeakPolarHBondContact O-CA 3.49Å; F400-V479 HydrophobicContact CB-CB 4.24Å; F400-V479 PolarHBondContact N-O 2.86Å; F400-V479 PolarHBondContact O-N 2.84Å; F400-I481 HydrophobicContact CE2-CD1 4.14Å; F400-F509 HydrophobicContact CE2-CE1 4.11Å; F400-F509 HydrophobicContact CE2-CZ 4.46Å; F400-F509 AromaticContact CZ-CE1 3.81Å; F400-F509 HydrophobicContact CZ-CE1 3.81Å; F400-F509 AromaticContact CZ-CZ 3.82Å; F400-F509 HydrophobicContact CZ-CZ 3.82Å; F400-I514 HydrophobicContact CD1-CD1 4.02Å; F400-I514 HydrophobicContact CD2-CD1 3.52Å; F400-I514 HydrophobicContact CE1-CD1 3.89Å; F400-I514 HydrophobicContact CE1-CG1 4.4Å; F400-I514 HydrophobicContact CE2-CD1 3.37Å; F400-I514 HydrophobicContact CG-CD1 3.85Å; F400-I514 HydrophobicContact CZ-CD1 3.57Å; F400-I514 HydrophobicContact CZ-CG1 4.43Å; F400-V518 HydrophobicContact CB-CG1 4.14Å; F400-V518 HydrophobicContact CD1-CG1 3.85Å; F400-V518 HydrophobicContact CG-CG1 4.34Å; F400-R520 HydrophobicContact CD1-CG 4.34Å; F400-P523 HydrophobicContact CD2-CB 4.34Å; F400-P523 HydrophobicContact CE1-CB 4.26Å; F400-P523 HydrophobicContact CE2-CB 4.02Å; F400-P523 HydrophobicContact CZ-CB 3.98Å
401E91.9Very high95.2Very high64 Ų6436.4 Ų36.430%0.29918%0.184SC..EExtended strand (participates in β ladder)trans-82.3163.9-178.7-57.5177.7176.900113.1D399 C403 T478 R520 T524D399-E401 HydrophobicContact CB-CG 4.48Å; E401-C403 PolarHBondContact O-N 3.36Å; E401-C403 PolarHBondContact O-SG 2.84Å; E401-C403 VanDerWaalsContact O-SG 3.35Å; E401-T478 HydrophobicContact CG-CG2 4.02Å; E401-R520 VanDerWaalsContact N-NH2 3.16Å; E401-R520 PolarHBondContact O-NH2 2.84Å; E401-T524 HydrophobicContact CB-CG2 4.16Å; E401-T524 HydrophobicContact CG-CG2 4.27Å; E401-T524 PolarHBondContact N-OG1 3.35Å; E401-T524 VanDerWaalsContact N-OG1 3.1Å
402N91Very high95.1Very high104 Ų10437.2 Ų37.256%0.55619%0.187SC*.EExtended strand (participates in β ladder)trans54.438.7174.2-51-41000112.9
403C94.3Very high95Very high8 Ų838.4 Ų38.45%0.05420%0.2CC..EExtended strand (participates in β ladder)trans-92.8152.6-180-57.70000111F400 E401 V405 C408 E476 A477 V518F400-C403 VanDerWaalsContact C-SG 3.55Å; F400-C403 PolarHBondContact O-SG 2.79Å; E401-C403 PolarHBondContact O-N 3.36Å; E401-C403 PolarHBondContact O-SG 2.84Å; E401-C403 VanDerWaalsContact O-SG 3.35Å; C403-V405 PolarHBondContact O-N 3.34Å; C403-C408 WeakPolarHBondContact CB-SG 3.32Å; C403-E476 CarbonylContact O-C 3.56Å; C403-E476 WeakPolarHBondContact O-CA 3.14Å; C403-A477 WeakPolarHBondContact CB-O 3.44Å; C403-A477 PolarHBondContact N-O 3.02Å; C403-A477 PolarHBondContact O-N 3.17Å; C403-V518 HydrophobicContact CB-CG1 4.41Å; C403-V518 WeakPolarHBondContact SG-CG1 3.38Å
404D95.3Very high95Very high94 Ų9441.8 Ų41.850%0.50321%0.214SC..EExtended strand (participates in β ladder)trans-61.7120.8174.4177.5-95.5000110.9A406 A407 C408D404-A406 VanDerWaalsContact C-N 3.3Å; D404-A406 PolarHBondContact O-N 3.38Å; D404-A406 WeakPolarHBondContact OD1-CB 3.37Å; D404-A406 PolarHBondContact OD1-N 3.02Å; D404-A406 VanDerWaalsContact OD1-N 3.11Å; D404-A407 HydrophobicContact CB-CB 4.18Å; D404-A407 PolarHBondContact O-N 2.81Å; D404-A407 WeakPolarHBondContact OD1-CB 3.28Å; D404-A407 PolarHBondContact OD1-N 3.34Å; D404-C408 WeakPolarHBondContact O-CB 3.28Å; D404-C408 PolarHBondContact O-N 3.05Å; D404-C408 PolarHBondContact O-SG 2.88Å
405V93.3Very high95Very high11 Ų1141.8 Ų41.87%0.06721%0.214CC..Hα-helixtrans-62.4-35.5-174.967.90000112.6C403 R409 D471 T474 T475 A477C403-V405 PolarHBondContact O-N 3.34Å; V405-R409 HydrophobicContact CG2-CG 4.47Å; V405-R409 WeakPolarHBondContact O-CB 3.45Å; V405-R409 VanDerWaalsContact O-CG 3.25Å; V405-R409 WeakPolarHBondContact O-CG 3.32Å; V405-R409 PolarHBondContact O-N 3.33Å; V405-D471 WeakPolarHBondContact CG2-OD1 3.46Å; V405-T474 WeakPolarHBondContact CG1-O 3.35Å; V405-T475 PolarHBondContact N-O 2.83Å; V405-A477 HydrophobicContact CB-CB 4.13Å; V405-A477 HydrophobicContact CG2-CB 4.1Å
406A94.5Very high95Very high62 Ų6244.7 Ų44.751%0.51223%0.228SC..Hα-helixtrans-70.4-46.2-177.700000110.9D404 C408 R409 E410D404-A406 VanDerWaalsContact C-N 3.3Å; D404-A406 PolarHBondContact O-N 3.38Å; D404-A406 WeakPolarHBondContact OD1-CB 3.37Å; D404-A406 PolarHBondContact OD1-N 3.02Å; D404-A406 VanDerWaalsContact OD1-N 3.11Å; A406-C408 VanDerWaalsContact C-N 3.35Å; A406-C408 PolarHBondContact O-N 2.86Å; A406-R409 PolarHBondContact O-N 2.58Å; A406-E410 PolarHBondContact O-N 2.77Å
407A96.4Very high95Very high21 Ų2150.3 Ų50.317%0.17425%0.254CS..Hα-helixtrans-62.8-40.6175.600000111.8D404 E410 M411 F517D404-A407 HydrophobicContact CB-CB 4.18Å; D404-A407 PolarHBondContact O-N 2.81Å; D404-A407 WeakPolarHBondContact OD1-CB 3.28Å; D404-A407 PolarHBondContact OD1-N 3.34Å; A407-E410 PolarHBondContact O-N 2.8Å; A407-M411 PolarHBondContact O-N 2.94Å; A407-F517 WeakPolarHBondContact CB-O 3.27Å; A407-F517 WeakPolarHBondContact O-CD1 3.41Å
408C95.5Very high95.2Very high0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-66.2-39.6177-66.30000112.5C403 D404 A406 M411 M412 L469 A477 V479C403-C408 WeakPolarHBondContact CB-SG 3.32Å; D404-C408 WeakPolarHBondContact O-CB 3.28Å; D404-C408 PolarHBondContact O-N 3.05Å; D404-C408 PolarHBondContact O-SG 2.88Å; A406-C408 VanDerWaalsContact C-N 3.35Å; A406-C408 PolarHBondContact O-N 2.86Å; C408-M411 WeakPolarHBondContact O-CB 3.33Å; C408-M411 PolarHBondContact O-N 3.25Å; C408-M412 WeakPolarHBondContact O-CG 3.39Å; C408-M412 PolarHBondContact O-N 3.1Å; C408-L469 HydrophobicContact CB-CD1 3.58Å; C408-L469 HydrophobicContact CB-CD2 4.49Å; C408-A477 HydrophobicContact CB-CB 4.39Å; C408-V479 HydrophobicContact CB-CG2 3.86Å
409R94.3Very high95.2Very high123 Ų12348.6 Ų48.646%0.46425%0.253SS..Hα-helixtrans-65-39.3174-74.9174.4-179.7164-0.8111.9V405 A406 M412 S413 L469 D471V405-R409 HydrophobicContact CG2-CG 4.47Å; V405-R409 WeakPolarHBondContact O-CB 3.45Å; V405-R409 VanDerWaalsContact O-CG 3.25Å; V405-R409 WeakPolarHBondContact O-CG 3.32Å; V405-R409 PolarHBondContact O-N 3.33Å; A406-R409 PolarHBondContact O-N 2.58Å; R409-M412 PolarHBondContact O-N 3.1Å; R409-S413 VanDerWaalsContact O-CB 3.31Å; R409-S413 WeakPolarHBondContact O-CB 3.16Å; R409-S413 PolarHBondContact O-N 2.86Å; R409-L469 HydrophobicContact CG-CD2 3.69Å; R409-D471 IonicContact CZ-OD1 3.86Å; R409-D471 IonicContact CZ-OD2 3.93Å; R409-D471 IonicContact NE-OD1 2.64Å; R409-D471 VanDerWaalsContact NH2-CG 3.33Å; R409-D471 IonicContact NH2-OD1 2.6Å; R409-D471 PolarHBondContact NH2-OD1 3.08Å; R409-D471 IonicContact NH2-OD2 3.95Å; R409-D471 PolarHBondContact NH2-OD2 2.91Å
410E96.4Very high95.2Very high116 Ų11651.7 Ų51.754%0.54227%0.273SS..Hα-helixtrans-62.4-45.4174-167.9-173.7158.700111.3A406 A407 M412 S413 K414 F517A406-E410 PolarHBondContact O-N 2.77Å; A407-E410 PolarHBondContact O-N 2.8Å; E410-M412 PolarHBondContact O-N 2.96Å; E410-S413 PolarHBondContact O-N 3.37Å; E410-K414 WeakPolarHBondContact O-CB 3.17Å; E410-K414 PolarHBondContact O-N 2.69Å; E410-F517 HydrophobicContact CB-CD1 4.35Å; E410-F517 HydrophobicContact CB-CE1 4.07Å; E410-F517 HydrophobicContact CG-CE1 3.81Å
411M96.8Very high95.2Very high1 Ų155.7 Ų55.71%0.00529%0.294CS..Hα-helixtrans-55.1-52.6175-171.8-165.369.700111.4A407 C408 S413 K414 L415 V479 S512 I514 F517 V518A407-M411 PolarHBondContact O-N 2.94Å; C408-M411 WeakPolarHBondContact O-CB 3.33Å; C408-M411 PolarHBondContact O-N 3.25Å; M411-S413 PolarHBondContact O-N 3.03Å; M411-K414 PolarHBondContact O-N 3.47Å; M411-L415 WeakPolarHBondContact O-CB 3.32Å; M411-L415 PolarHBondContact O-N 2.81Å; M411-V479 HydrophobicContact CE-CB 4.4Å; M411-V479 HydrophobicContact CE-CG1 3.59Å; M411-V479 HydrophobicContact CE-CG2 3.87Å; M411-S512 VanDerWaalsContact CG-O 3.26Å; M411-S512 WeakPolarHBondContact CG-O 3.34Å; M411-I514 HydrophobicContact SD-CB 4.3Å; M411-I514 HydrophobicContact SD-CG1 4.15Å; M411-F517 HydrophobicContact CB-CB 3.74Å; M411-F517 HydrophobicContact CB-CD1 4.08Å; M411-F517 HydrophobicContact CB-CD2 3.66Å; M411-F517 HydrophobicContact CB-CE2 4.22Å; M411-F517 HydrophobicContact CB-CG 3.56Å; M411-F517 HydrophobicContact CG-CB 4.07Å; M411-F517 HydrophobicContact CG-CD2 3.55Å; M411-F517 HydrophobicContact CG-CE2 4.16Å; M411-F517 HydrophobicContact CG-CG 3.93Å; M411-F517 HydrophobicContact SD-CB 4.35Å; M411-V518 HydrophobicContact SD-CG2 4.46Å
412M96Very high95.2Very high22 Ų2257.3 Ų57.311%0.10832%0.318CS..Hα-helixtrans-63.6-40.6-179-70.1-61.1-69.300111.8C408 R409 E410 L415 E416 L455 F467 L469C408-M412 WeakPolarHBondContact O-CG 3.39Å; C408-M412 PolarHBondContact O-N 3.1Å; R409-M412 PolarHBondContact O-N 3.1Å; E410-M412 PolarHBondContact O-N 2.96Å; M412-L415 PolarHBondContact O-N 3.49Å; M412-E416 VanDerWaalsContact O-CB 3.28Å; M412-E416 WeakPolarHBondContact O-CB 3.48Å; M412-E416 PolarHBondContact O-N 3.05Å; M412-L455 HydrophobicContact CE-CD1 3.75Å; M412-L455 HydrophobicContact CE-CG 3.85Å; M412-L455 HydrophobicContact SD-CD1 4.43Å; M412-F467 HydrophobicContact CE-CB 3.97Å; M412-F467 HydrophobicContact SD-CB 4.05Å; M412-L469 HydrophobicContact CG-CB 4Å; M412-L469 HydrophobicContact CG-CD2 4.14Å
413S95.8Very high95.5Very high55 Ų5555.7 Ų55.739%0.38532%0.315SS..Hα-helixtrans-63-43.8176.3178.90000112.2R409 E410 M411 E416 Q417R409-S413 VanDerWaalsContact O-CB 3.31Å; R409-S413 WeakPolarHBondContact O-CB 3.16Å; R409-S413 PolarHBondContact O-N 2.86Å; E410-S413 PolarHBondContact O-N 3.37Å; M411-S413 PolarHBondContact O-N 3.03Å; S413-E416 PolarHBondContact O-N 3.13Å; S413-Q417 WeakPolarHBondContact O-CG 3.28Å; S413-Q417 PolarHBondContact O-N 3.2Å; S413-Q417 PolarHBondContact OG-NE2 3.31Å
414K97Very high95.6Very high74 Ų7455.4 Ų55.432%0.32231%0.313SS..Hα-helixtrans-65.7-42.4176.8-173.6179.5-178.1-174.40111.8E410 M411 T418 E513 F517E410-K414 WeakPolarHBondContact O-CB 3.17Å; E410-K414 PolarHBondContact O-N 2.69Å; M411-K414 PolarHBondContact O-N 3.47Å; K414-T418 PolarHBondContact O-N 3.27Å; K414-T418 VanDerWaalsContact O-N 3.14Å; K414-T418 PolarHBondContact O-OG1 2.89Å; K414-E513 WeakPolarHBondContact CE-OE1 3.37Å; K414-E513 IonicContact NZ-OE1 3.73Å; K414-E513 PolarHBondContact NZ-OE1 2.81Å; K414-E513 IonicContact NZ-OE2 2.7Å; K414-E513 PolarHBondContact NZ-OE2 3.08Å; K414-F517 HydrophobicContact CD-CE2 4.44Å; K414-F517 HydrophobicContact CD-CZ 4.11Å
415L97.1Very high95.7Very high3 Ų353.4 Ų53.42%0.01631%0.31CS..Hα-helixtrans-64.1-44.7176.7-176.259.2000110.6M411 M412 Q417 T418 V419 L455 F467 L511M411-L415 WeakPolarHBondContact O-CB 3.32Å; M411-L415 PolarHBondContact O-N 2.81Å; M412-L415 PolarHBondContact O-N 3.49Å; L415-Q417 PolarHBondContact O-N 2.86Å; L415-T418 WeakPolarHBondContact O-CA 3.34Å; L415-T418 WeakPolarHBondContact O-CB 3.31Å; L415-T418 PolarHBondContact O-N 3.41Å; L415-V419 HydrophobicContact CD1-CG1 3.75Å; L415-V419 HydrophobicContact CG-CG1 4.14Å; L415-V419 WeakPolarHBondContact O-CG1 3.31Å; L415-V419 WeakPolarHBondContact O-CG2 3.48Å; L415-V419 PolarHBondContact O-N 2.93Å; L415-L455 HydrophobicContact CB-CD1 3.91Å; L415-L455 HydrophobicContact CD2-CD1 3.89Å; L415-L455 HydrophobicContact CG-CD1 3.74Å; L415-F467 HydrophobicContact CD2-CB 4.08Å; L415-F467 HydrophobicContact CD2-CD1 3.68Å; L415-F467 HydrophobicContact CD2-CD2 3.66Å; L415-F467 HydrophobicContact CD2-CE1 3.95Å; L415-F467 HydrophobicContact CD2-CE2 3.94Å; L415-F467 HydrophobicContact CD2-CG 3.53Å; L415-F467 HydrophobicContact CD2-CZ 4.07Å; L415-L511 HydrophobicContact CD1-CB 4.29Å
416E96.5Very high95.9Very high73 Ų7355.4 Ų55.434%0.34133%0.332SS..Hα-helixtrans-54.6-53.1176-175.4168.9-16300111M412 S413 T418 V419 T420 N443 L455M412-E416 VanDerWaalsContact O-CB 3.28Å; M412-E416 WeakPolarHBondContact O-CB 3.48Å; M412-E416 PolarHBondContact O-N 3.05Å; S413-E416 PolarHBondContact O-N 3.13Å; E416-T418 PolarHBondContact O-N 3.05Å; E416-T418 VanDerWaalsContact O-N 3.15Å; E416-V419 PolarHBondContact O-N 3.39Å; E416-V419 VanDerWaalsContact O-N 3.17Å; E416-T420 HydrophobicContact CG-CG2 4.02Å; E416-T420 WeakPolarHBondContact O-CB 3.2Å; E416-T420 WeakPolarHBondContact O-CG2 3.24Å; E416-T420 PolarHBondContact O-N 3.38Å; E416-T420 PolarHBondContact O-OG1 2.85Å; E416-N443 PolarHBondContact OE1-ND2 3.42Å; E416-L455 HydrophobicContact CB-CD1 4.04Å; E416-L455 HydrophobicContact CB-CD2 3.78Å; E416-L455 HydrophobicContact CG-CD2 3.79Å
417Q96.3Very high96Very high128 Ų12858.5 Ų58.560%0.59833%0.33SS*.Hα-helixtrans-55.1-35.8176.9-71.4171.141.100113S413 L415S413-Q417 WeakPolarHBondContact O-CG 3.28Å; S413-Q417 PolarHBondContact O-N 3.2Å; S413-Q417 PolarHBondContact OG-NE2 3.31Å; L415-Q417 PolarHBondContact O-N 2.86Å
418T96.4Very high96.1Very high51 Ų5160.7 Ų60.731%0.31335%0.345SS..Hα-helixtrans-72.7-49.8178.5-58.10000111.1K414 L415 E416 N421 F424K414-T418 PolarHBondContact O-N 3.27Å; K414-T418 VanDerWaalsContact O-N 3.14Å; K414-T418 PolarHBondContact O-OG1 2.89Å; L415-T418 WeakPolarHBondContact O-CA 3.34Å; L415-T418 WeakPolarHBondContact O-CB 3.31Å; L415-T418 PolarHBondContact O-N 3.41Å; E416-T418 PolarHBondContact O-N 3.05Å; E416-T418 VanDerWaalsContact O-N 3.15Å; T418-N421 WeakPolarHBondContact O-CB 3.42Å; T418-N421 PolarHBondContact O-N 3.32Å; T418-F424 HydrophobicContact CG2-CD2 3.99Å; T418-F424 HydrophobicContact CG2-CE2 3.96Å; T418-F424 WeakPolarHBondContact O-CB 3.27Å; T418-F424 WeakPolarHBondContact O-CG 3.41Å
419V95.4Very high96.2Very high3 Ų363 Ų632%0.01835%0.354CS..Hα-helixtrans-77-29.1-172.3-57.40000112.9L415 E416 N421 F424 A441 L455 I457L415-V419 HydrophobicContact CD1-CG1 3.75Å; L415-V419 HydrophobicContact CG-CG1 4.14Å; L415-V419 WeakPolarHBondContact O-CG1 3.31Å; L415-V419 WeakPolarHBondContact O-CG2 3.48Å; L415-V419 PolarHBondContact O-N 2.93Å; E416-V419 PolarHBondContact O-N 3.39Å; E416-V419 VanDerWaalsContact O-N 3.17Å; V419-N421 VanDerWaalsContact C-N 3.29Å; V419-F424 HydrophobicContact CB-CD1 4.22Å; V419-F424 HydrophobicContact CB-CE1 4.12Å; V419-F424 HydrophobicContact CG1-CD1 4.47Å; V419-F424 HydrophobicContact CG1-CE1 3.93Å; V419-F424 HydrophobicContact CG1-CZ 4.01Å; V419-A441 HydrophobicContact CB-CB 3.98Å; V419-A441 WeakPolarHBondContact O-CB 3.47Å; V419-L455 HydrophobicContact CG2-CB 4.5Å; V419-L455 HydrophobicContact CG2-CD2 4.29Å; V419-I457 HydrophobicContact CB-CG1 4.49Å; V419-I457 HydrophobicContact CG1-CD1 3.75Å; V419-I457 HydrophobicContact CG1-CG1 3.93Å
420T92.7Very high96.3Very high73 Ų7361.7 Ų61.745%0.44836%0.36SS..THydrogen-bonded Turntrans-85.8-1.5176.466.20000112.8E416E416-T420 HydrophobicContact CG-CG2 4.02Å; E416-T420 WeakPolarHBondContact O-CB 3.2Å; E416-T420 WeakPolarHBondContact O-CG2 3.24Å; E416-T420 PolarHBondContact O-N 3.38Å; E416-T420 PolarHBondContact O-OG1 2.85Å
421N96.1Very high96.3Very high84 Ų8456.8 Ų56.845%0.44934%0.34SS..SBendtrans-69.2133.5174.2-169.2-67000110.4T418 V419 S423 F424T418-N421 WeakPolarHBondContact O-CB 3.42Å; T418-N421 PolarHBondContact O-N 3.32Å; V419-N421 VanDerWaalsContact C-N 3.29Å; N421-S423 PolarHBondContact O-N 3.43Å; N421-S423 VanDerWaalsContact O-N 3.09Å; N421-S423 WeakPolarHBondContact OD1-CB 3.34Å; N421-S423 PolarHBondContact OD1-N 3.42Å; N421-S423 PolarHBondContact OD1-OG 3.46Å; N421-F424 WeakPolarHBondContact O-CB 3.38Å; N421-F424 PolarHBondContact O-N 3.24Å
422A92.9Very high96Very high97 Ų9762.9 Ų62.980%0.80237%0.368SS*.THydrogen-bonded Turntrans-57.4-28.7-179.500000114F424A422-F424 VanDerWaalsContact C-N 3.26Å; A422-F424 PolarHBondContact O-N 3.17Å
423S95.8Very high95.7Very high70 Ų7067.2 Ų67.249%0.4940%0.401SS..THydrogen-bonded Turntrans-79.9-3.6177.370.10000114.3N421 R427N421-S423 PolarHBondContact O-N 3.43Å; N421-S423 VanDerWaalsContact O-N 3.09Å; N421-S423 WeakPolarHBondContact OD1-CB 3.34Å; N421-S423 PolarHBondContact OD1-N 3.42Å; N421-S423 PolarHBondContact OD1-OG 3.46Å; S423-R427 WeakPolarHBondContact O-CG 3.47Å
424F97.6Very high95.6Very high2 Ų265.8 Ų65.81%0.00939%0.388CS..THydrogen-bonded Turntrans-75.9-38.7178.8-168.1-106.6000111.9T418 V419 N421 A422 G426 R427 F429 V438 A441 I457 L511T418-F424 HydrophobicContact CG2-CD2 3.99Å; T418-F424 HydrophobicContact CG2-CE2 3.96Å; T418-F424 WeakPolarHBondContact O-CB 3.27Å; T418-F424 WeakPolarHBondContact O-CG 3.41Å; V419-F424 HydrophobicContact CB-CD1 4.22Å; V419-F424 HydrophobicContact CB-CE1 4.12Å; V419-F424 HydrophobicContact CG1-CD1 4.47Å; V419-F424 HydrophobicContact CG1-CE1 3.93Å; V419-F424 HydrophobicContact CG1-CZ 4.01Å; N421-F424 WeakPolarHBondContact O-CB 3.38Å; N421-F424 PolarHBondContact O-N 3.24Å; A422-F424 VanDerWaalsContact C-N 3.26Å; A422-F424 PolarHBondContact O-N 3.17Å; F424-G426 PolarHBondContact O-N 3.45Å; F424-R427 WeakPolarHBondContact O-CB 3.46Å; F424-R427 PolarHBondContact O-N 3.4Å; F424-R427 VanDerWaalsContact O-N 3.15Å; F424-F429 HydrophobicContact CE2-CE2 4.15Å; F424-F429 AromaticContact CE2-CZ 3.78Å; F424-F429 HydrophobicContact CE2-CZ 3.78Å; F424-F429 HydrophobicContact CZ-CE2 4.11Å; F424-F429 HydrophobicContact CZ-CZ 4.13Å; F424-V438 HydrophobicContact CD1-CG1 3.89Å; F424-V438 HydrophobicContact CD1-CG2 4.37Å; F424-V438 HydrophobicContact CE1-CG1 3.95Å; F424-V438 HydrophobicContact CE1-CG2 3.87Å; F424-V438 HydrophobicContact CZ-CG2 4.19Å; F424-A441 HydrophobicContact CD1-CB 3.82Å; F424-A441 HydrophobicContact CE1-CB 3.98Å; F424-I457 HydrophobicContact CE1-CD1 4.09Å; F424-I457 HydrophobicContact CE1-CG1 4.16Å; F424-I457 HydrophobicContact CE1-CG2 3.95Å; F424-I457 HydrophobicContact CZ-CD1 4.05Å; F424-L511 HydrophobicContact CE2-CD2 3.96Å; F424-L511 HydrophobicContact CZ-CD1 4.36Å; F424-L511 HydrophobicContact CZ-CD2 4.06Å
425A96.7Very high95.6Very high53 Ų5366 Ų6644%0.43840%0.396SS..THydrogen-bonded Turntrans-60.9135.2171.700000110.4R427A425-R427 VanDerWaalsContact C-N 3.33Å
426G97.3Very high95.7Very high52 Ų5266 Ų6654%0.53640%0.395SS..THydrogen-bonded Turntrans85.5-8.4-175.100000115.2F424 V438F424-G426 PolarHBondContact O-N 3.45Å; G426-V438 WeakPolarHBondContact CA-O 3.33Å; G426-V438 PolarHBondContact N-O 3.41Å
427R97.8Very high95.8Very high128 Ų12864.3 Ų64.348%0.48339%0.39SS..  trans-67.2141.5171-73.6-171.5162.6-166-7.7110.9S423 F424 A425 F429 T437 V438S423-R427 WeakPolarHBondContact O-CG 3.47Å; F424-R427 WeakPolarHBondContact O-CB 3.46Å; F424-R427 PolarHBondContact O-N 3.4Å; F424-R427 VanDerWaalsContact O-N 3.15Å; A425-R427 VanDerWaalsContact C-N 3.33Å; R427-F429 HydrophobicContact CB-CE2 3.92Å; R427-F429 HydrophobicContact CB-CZ 4.15Å; R427-T437 WeakPolarHBondContact O-CA 3.26Å; R427-V438 PolarHBondContact O-N 3.44Å
428S97.9Very high95.9Very high67 Ų6758.4 Ų58.447%0.46936%0.363SS..EExtended strand (participates in β ladder)trans-109.7138.7174.8-54.70000110.7F436 T437S428-F436 CarbonylContact C-O 3.59Å; S428-F436 WeakPolarHBondContact CA-O 3.27Å; S428-T437 PolarHBondContact OG-OG1 3.19Å
429F97.9Very high96Very high47 Ų4758.7 Ų58.721%0.20637%0.367CS..EExtended strand (participates in β ladder)trans-121.9130.1175.6-60.1-87.4000108.6F424 R427 T435 F436 V438 F459 I507 L511F424-F429 HydrophobicContact CE2-CE2 4.15Å; F424-F429 AromaticContact CE2-CZ 3.78Å; F424-F429 HydrophobicContact CE2-CZ 3.78Å; F424-F429 HydrophobicContact CZ-CE2 4.11Å; F424-F429 HydrophobicContact CZ-CZ 4.13Å; R427-F429 HydrophobicContact CB-CE2 3.92Å; R427-F429 HydrophobicContact CB-CZ 4.15Å; F429-T435 CarbonylContact O-C 3.44Å; F429-T435 WeakPolarHBondContact O-CA 3.39Å; F429-F436 PolarHBondContact N-O 2.83Å; F429-F436 PolarHBondContact O-N 3.18Å; F429-V438 HydrophobicContact CD2-CG2 4.15Å; F429-V438 HydrophobicContact CE2-CG2 3.72Å; F429-F459 HydrophobicContact CD2-CE1 4.46Å; F429-I507 HydrophobicContact CB-CD1 3.74Å; F429-I507 HydrophobicContact CB-CG1 3.93Å; F429-I507 HydrophobicContact CB-CG2 3.88Å; F429-I507 HydrophobicContact CG-CG2 4.08Å; F429-L511 HydrophobicContact CD1-CD2 4.39Å; F429-L511 HydrophobicContact CE1-CD2 3.61Å; F429-L511 HydrophobicContact CE1-CG 4.31Å; F429-L511 HydrophobicContact CE2-CD2 4.42Å; F429-L511 HydrophobicContact CZ-CD2 3.64Å
430T96.8Very high96Very high96 Ų9663.5 Ų63.559%0.58939%0.388SS*.EExtended strand (participates in β ladder)trans-114.6127.2179.2-560000109.1Q434 T435T430-Q434 VanDerWaalsContact CA-O 3.28Å; T430-Q434 WeakPolarHBondContact CA-O 3.21Å; T430-T435 PolarHBondContact OG1-OG1 2.83Å
431A95.6Very high96.3Very high13 Ų1361.1 Ų61.111%0.10738%0.375CS..EExtended strand (participates in β ladder)trans-131.8134.3170.700000108.7S433 Q434 P503 D506 I507A431-S433 PolarHBondContact O-N 3.44Å; A431-S433 VanDerWaalsContact O-N 3.08Å; A431-Q434 PolarHBondContact N-O 2.6Å; A431-Q434 PolarHBondContact O-N 3.32Å; A431-P503 HydrophobicContact CB-CB 3.96Å; A431-P503 WeakPolarHBondContact CB-O 3.39Å; A431-D506 HydrophobicContact CB-CB 4.31Å; A431-I507 HydrophobicContact CB-CD1 4.05Å; A431-I507 HydrophobicContact CB-CG1 3.89Å
432E90.8Very high96.2Very high129 Ų12959.3 Ų59.360%0.60337%0.366SS*.THydrogen-bonded Turntrans51.5-110.9-169.3-56.8-177.4176.800111.7K502 P503E432-K502 VanDerWaalsContact OE1-CE 3.29Å; E432-K502 WeakPolarHBondContact OE1-CE 3.45Å; E432-P503 HydrophobicContact CB-CG 4.37Å; E432-P503 HydrophobicContact CG-CG 4.33Å
433S90.3Very high96.2Very high114 Ų11456.3 Ų56.380%0.79734%0.336SS*.THydrogen-bonded Turntrans-111.16.6178.155.40000113.4A431A431-S433 PolarHBondContact O-N 3.44Å; A431-S433 VanDerWaalsContact O-N 3.08Å
434Q93.8Very high96Very high25 Ų2553.5 Ų53.512%0.11732%0.315CS..EExtended strand (participates in β ladder)trans-108.9136-174.9-56.9-151.377.500111.1T430 A431 F436 Y485 P503T430-Q434 VanDerWaalsContact CA-O 3.28Å; T430-Q434 WeakPolarHBondContact CA-O 3.21Å; A431-Q434 PolarHBondContact N-O 2.6Å; A431-Q434 PolarHBondContact O-N 3.32Å; Q434-F436 HydrophobicContact CB-CD2 4.46Å; Q434-F436 HydrophobicContact CB-CE2 3.69Å; Q434-F436 HydrophobicContact CB-CZ 4.09Å; Q434-Y485 VanDerWaalsContact OE1-CZ 3.29Å; Q434-Y485 PolarHBondContact OE1-OH 3.01Å; Q434-P503 HydrophobicContact CB-CB 4.16Å; Q434-P503 HydrophobicContact CG-CB 4.38Å; Q434-P503 HydrophobicContact CG-CG 4.28Å
435T97Very high95.4Very high78 Ų7857.8 Ų57.848%0.47934%0.342SS..EExtended strand (participates in β ladder)trans-118.4126177.2-61.60000110F429 T430F429-T435 CarbonylContact O-C 3.44Å; F429-T435 WeakPolarHBondContact O-CA 3.39Å; T430-T435 PolarHBondContact OG1-OG1 2.83Å
436F98.1Very high94.6Very high2 Ų258.1 Ų58.11%0.00933%0.332CS..EExtended strand (participates in β ladder)trans-114.1116.6-178.7-61.6-89.6000109.5S428 F429 Q434 F459 Y485 P503 L504 I507S428-F436 CarbonylContact C-O 3.59Å; S428-F436 WeakPolarHBondContact CA-O 3.27Å; F429-F436 PolarHBondContact N-O 2.83Å; F429-F436 PolarHBondContact O-N 3.18Å; Q434-F436 HydrophobicContact CB-CD2 4.46Å; Q434-F436 HydrophobicContact CB-CE2 3.69Å; Q434-F436 HydrophobicContact CB-CZ 4.09Å; F436-F459 HydrophobicContact CB-CD1 3.46Å; F436-F459 VanDerWaalsContact CB-CD1 3.46Å; F436-F459 HydrophobicContact CB-CE1 3.62Å; F436-F459 HydrophobicContact CB-CG 3.98Å; F436-F459 HydrophobicContact CB-CZ 4.3Å; F436-F459 HydrophobicContact CD1-CG 4.37Å; F436-Y485 AromaticContact CE1-CD2 3.61Å; F436-Y485 HydrophobicContact CE1-CD2 3.61Å; F436-Y485 AromaticContact CE1-CE2 3.6Å; F436-Y485 HydrophobicContact CE1-CE2 3.6Å; F436-Y485 AromaticContact CZ-CD2 3.91Å; F436-Y485 HydrophobicContact CZ-CD2 3.91Å; F436-Y485 AromaticContact CZ-CE2 3.81Å; F436-Y485 HydrophobicContact CZ-CE2 3.81Å; F436-P503 HydrophobicContact CE2-CB 4.03Å; F436-P503 HydrophobicContact CZ-CB 4.5Å; F436-L504 HydrophobicContact CD1-CD1 3.96Å; F436-L504 HydrophobicContact CE1-CB 4.5Å; F436-L504 HydrophobicContact CE1-CD1 3.98Å; F436-L504 HydrophobicContact CG-CD1 4.23Å; F436-L504 HydrophobicContact CZ-CB 4.12Å; F436-L504 HydrophobicContact CZ-CD1 4.24Å; F436-I507 HydrophobicContact CB-CD1 4.29Å; F436-I507 HydrophobicContact CD2-CD1 3.23Å; F436-I507 HydrophobicContact CE2-CD1 3.82Å; F436-I507 HydrophobicContact CG-CD1 4.07Å
437T98.5Very high93.1Very high39 Ų3962.3 Ų62.324%0.23935%0.347CS..EExtended strand (participates in β ladder)trans-101.9123178.2-57.30000110R427 S428 S439 F459 T460R427-T437 WeakPolarHBondContact O-CA 3.26Å; S428-T437 PolarHBondContact OG-OG1 3.19Å; T437-S439 PolarHBondContact O-N 3.07Å; T437-F459 CarbonylContact O-C 3.46Å; T437-F459 VanDerWaalsContact O-CA 3.31Å; T437-F459 WeakPolarHBondContact O-CA 3.49Å; T437-T460 HydrophobicContact CG2-CG2 4.41Å; T437-T460 PolarHBondContact O-N 2.94Å; T437-T460 PolarHBondContact O-OG1 2.77Å
438V98.6Very high90.6Very high3 Ų361 Ų612%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-65.2121.9-178.1179.50000109.6F424 G426 R427 F429 I457 F458 F459F424-V438 HydrophobicContact CD1-CG1 3.89Å; F424-V438 HydrophobicContact CD1-CG2 4.37Å; F424-V438 HydrophobicContact CE1-CG1 3.95Å; F424-V438 HydrophobicContact CE1-CG2 3.87Å; F424-V438 HydrophobicContact CZ-CG2 4.19Å; G426-V438 WeakPolarHBondContact CA-O 3.33Å; G426-V438 PolarHBondContact N-O 3.41Å; R427-V438 PolarHBondContact O-N 3.44Å; F429-V438 HydrophobicContact CD2-CG2 4.15Å; F429-V438 HydrophobicContact CE2-CG2 3.72Å; V438-I457 HydrophobicContact CG1-CG2 4.1Å; V438-I457 HydrophobicContact CG2-CG2 3.94Å; V438-F458 CarbonylContact C-O 3.4Å; V438-F458 WeakPolarHBondContact CA-O 3.47Å; V438-F459 HydrophobicContact CG2-CD1 4.14Å; V438-F459 HydrophobicContact CG2-CE1 3.79Å
439S97.8Very high87.9Confident57 Ų5762.3 Ų62.340%0.39936%0.364SS..EExtended strand (participates in β ladder)trans-87.5-45173.4610000111.5T437 F458 F459T437-S439 PolarHBondContact O-N 3.07Å; S439-F458 PolarHBondContact N-O 2.87Å; S439-F458 VanDerWaalsContact OG-C 3.32Å; S439-F458 WeakPolarHBondContact OG-CB 3.44Å; S439-F458 PolarHBondContact OG-O 3.28Å; S439-F458 VanDerWaalsContact OG-O 3.07Å; S439-F459 PolarHBondContact OG-O 3.33Å
440K97.1Very high85.5Confident105 Ų10562.1 Ų62.146%0.45737%0.367SS..EExtended strand (participates in β ladder)trans-156159.9173.662.7172.6-175.7172.10110.1F458K440-F458 HydrophobicContact CD-CD2 4.09Å; K440-F458 HydrophobicContact CD-CG 4.39Å; K440-F458 VanDerWaalsContact CE-CD2 3.48Å; K440-F458 HydrophobicContact CG-CB 3.74Å; K440-F458 HydrophobicContact CG-CD2 3.63Å; K440-F458 HydrophobicContact CG-CE2 4.47Å; K440-F458 HydrophobicContact CG-CG 3.86Å; K440-F458 PolarHBondContact N-O 3.11Å; K440-F458 PolarHBondContact O-N 2.58Å
441A97.4Very high83.3Confident23 Ų2364.7 Ų64.719%0.1938%0.377CS..EExtended strand (participates in β ladder)trans-147148.3168.800000110V419 F424 R456 I457V419-A441 HydrophobicContact CB-CB 3.98Å; V419-A441 WeakPolarHBondContact O-CB 3.47Å; F424-A441 HydrophobicContact CD1-CB 3.82Å; F424-A441 HydrophobicContact CE1-CB 3.98Å; A441-R456 CarbonylContact C-O 3.55Å; A441-R456 WeakPolarHBondContact CA-O 3.44Å; A441-R456 VanDerWaalsContact CB-O 3.28Å; A441-R456 WeakPolarHBondContact CB-O 3.42Å; A441-I457 HydrophobicContact CB-CB 4.48Å; A441-I457 HydrophobicContact CB-CG1 4.23Å
442D95Very high81.6Confident45 Ų4565.6 Ų65.624%0.24139%0.388CS..EExtended strand (participates in β ladder)trans-154.1169.4-177.759.530.1000112L455 R456D442-L455 WeakPolarHBondContact O-CA 3.48Å; D442-R456 PolarHBondContact N-O 3.04Å; D442-R456 PolarHBondContact O-N 3.21Å; D442-R456 IonicContact OD1-CZ 3.43Å; D442-R456 IonicContact OD1-NE 2.65Å; D442-R456 PolarHBondContact OD1-NE 3.02Å; D442-R456 IonicContact OD1-NH2 2.71Å; D442-R456 PolarHBondContact OD1-NH2 3Å; D442-R456 VanDerWaalsContact OD1-NH2 3.17Å; D442-R456 IonicContact OD2-CZ 3.75Å; D442-R456 IonicContact OD2-NE 2.81Å; D442-R456 IonicContact OD2-NH2 3.24Å; D442-R456 PolarHBondContact OD2-NH2 3.14Å
443N92.7Very high80.8Confident35 Ų3560.6 Ų60.619%0.18737%0.369CS..EExtended strand (participates in β ladder)trans-98.4114.9160.7-167.9-3.3000107.9E416 T445 G452 G454 L455E416-N443 PolarHBondContact OE1-ND2 3.42Å; N443-T445 PolarHBondContact O-N 3.09Å; N443-G452 WeakPolarHBondContact ND2-CA 3.47Å; N443-G452 WeakPolarHBondContact OD1-CA 3.42Å; N443-G454 PolarHBondContact OD1-O 2.8Å; N443-L455 HydrophobicContact CB-CD2 3.69Å
444F91.9Very high80.8Confident10 Ų1055.4 Ų55.44%0.04433%0.333CS..  trans-60.8126.3-170.1-178.1-120.2000111.2M307 E324 P326 Y446 A453 G454 R456M307-F444 HydrophobicContact CB-CD1 3.84Å; M307-F444 HydrophobicContact CB-CE1 3.69Å; M307-F444 HydrophobicContact CB-CG 4.42Å; M307-F444 HydrophobicContact CB-CZ 4.12Å; M307-F444 HydrophobicContact CE-CB 4.07Å; M307-F444 HydrophobicContact CE-CD1 4.06Å; M307-F444 HydrophobicContact CE-CG 4.32Å; M307-F444 HydrophobicContact CG-CB 4.28Å; M307-F444 HydrophobicContact CG-CD1 3.65Å; M307-F444 HydrophobicContact CG-CD2 4.11Å; M307-F444 HydrophobicContact CG-CE1 3.94Å; M307-F444 HydrophobicContact CG-CE2 4.33Å; M307-F444 HydrophobicContact CG-CG 3.75Å; M307-F444 HydrophobicContact CG-CZ 4.26Å; E324-F444 HydrophobicContact CG-CE2 4.46Å; E324-F444 HydrophobicContact CG-CZ 4.33Å; P326-F444 HydrophobicContact CG-CE1 4.11Å; F444-Y446 HydrophobicContact CZ-CD2 4.25Å; F444-A453 HydrophobicContact CD1-CB 3.9Å; F444-A453 PolarHBondContact O-N 3.17Å; F444-G454 WeakPolarHBondContact CB-O 3.41Å; F444-G454 PolarHBondContact N-O 3.01Å; F444-R456 HydrophobicContact CB-CG 4.27Å; F444-R456 VanDerWaalsContact CD2-NH1 3.31Å
445T84.7Confident80.9Confident93 Ų9354.3 Ų54.357%0.57133%0.328SS*.  trans-122.8135.3171.251.30000108.5N443N443-T445 PolarHBondContact O-N 3.09Å
446Y80Confident80.9Confident59 Ų5951.3 Ų51.323%0.23131%0.308CS..  trans-113.1141.6167.8-167.6-97.4000106.5V325 P326 F331 F444 S448V325-Y446 HydrophobicContact CB-CE2 4.36Å; V325-Y446 HydrophobicContact CG1-CE2 3.82Å; P326-Y446 VanDerWaalsContact CG-CB 3.5Å; P326-Y446 HydrophobicContact CG-CD1 4.34Å; P326-Y446 HydrophobicContact CG-CG 3.93Å; F331-Y446 AromaticContact CD1-CD1 3.85Å; F331-Y446 HydrophobicContact CD1-CD1 3.85Å; F331-Y446 AromaticContact CD1-CE1 3.61Å; F331-Y446 HydrophobicContact CD1-CE1 3.61Å; F331-Y446 AromaticContact CE1-CD1 3.7Å; F331-Y446 HydrophobicContact CE1-CD1 3.7Å; F331-Y446 AromaticContact CE1-CE1 3.9Å; F331-Y446 HydrophobicContact CE1-CE1 3.9Å; F444-Y446 HydrophobicContact CZ-CD2 4.25Å; Y446-S448 VanDerWaalsContact C-N 3.33Å; Y446-S448 PolarHBondContact O-N 3.17Å
447V65.7Low80.9Confident140 Ų14051.2 Ų51.285%0.84831%0.307SS*.SBendtrans-48.293.3-164.2-171.90000112
448S45.7Very low80.9Confident101 Ų10150.7 Ų50.771%0.70630%0.302SS*.SBendtrans33.4127.3167.1-1560000118.2Y446Y446-S448 VanDerWaalsContact C-N 3.33Å; Y446-S448 PolarHBondContact O-N 3.17Å
449P40.9Very low80.9Confident94 Ų9450.9 Ų50.961%0.6130%0.302SS*.SBendcis-120.38.634.139.5-29.5000116.2N451P449-N451 PolarHBondContact O-N 3.49Å
450T47.8Very low80.9Confident44 Ų4452.4 Ų52.427%0.2731%0.31SS..  trans-77.999-179.755.90000110.4I111I111-T450 HydrophobicContact CD1-CG2 3.67Å
451N49.9Very low80.9Confident150 Ų15049.9 Ų49.980%0.80230%0.301SS*.  trans-72.5125.9169.5-79.9-11.8000109.8P449P449-N451 PolarHBondContact O-N 3.49Å
452G60.1Low80.8Confident32 Ų3252 Ų5233%0.3331%0.309SS..  trans70.761164.300000116N443 G454N443-G452 WeakPolarHBondContact ND2-CA 3.47Å; N443-G452 WeakPolarHBondContact OD1-CA 3.42Å; G452-G454 PolarHBondContact O-N 3.2Å
453A74.3Confident81Confident24 Ų2449.8 Ų49.820%0.19830%0.297CS..SBendtrans-73.9-6.8-178.700000114.2F444 R468F444-A453 HydrophobicContact CD1-CB 3.9Å; F444-A453 PolarHBondContact O-N 3.17Å; A453-R468 PolarHBondContact O-NE 3.1Å; A453-R468 VanDerWaalsContact O-NE 3.12Å
454G90.8Very high81.2Confident4 Ų448.6 Ų48.64%0.04129%0.29CS..  trans157.614517500000112.9N443 F444 G452 F467N443-G454 PolarHBondContact OD1-O 2.8Å; F444-G454 WeakPolarHBondContact CB-O 3.41Å; F444-G454 PolarHBondContact N-O 3.01Å; G452-G454 PolarHBondContact O-N 3.2Å; G454-F467 CarbonylContact C-O 3.54Å; G454-F467 VanDerWaalsContact CA-O 3.32Å; G454-F467 WeakPolarHBondContact CA-O 3.34Å
455L95.7Very high81.5Confident3 Ų348.1 Ų48.12%0.01629%0.288CS..EExtended strand (participates in β ladder)trans-78.7136176.4-56.3176.8000109.6M412 L415 E416 V419 D442 N443 I466 F467M412-L455 HydrophobicContact CE-CD1 3.75Å; M412-L455 HydrophobicContact CE-CG 3.85Å; M412-L455 HydrophobicContact SD-CD1 4.43Å; L415-L455 HydrophobicContact CB-CD1 3.91Å; L415-L455 HydrophobicContact CD2-CD1 3.89Å; L415-L455 HydrophobicContact CG-CD1 3.74Å; E416-L455 HydrophobicContact CB-CD1 4.04Å; E416-L455 HydrophobicContact CB-CD2 3.78Å; E416-L455 HydrophobicContact CG-CD2 3.79Å; V419-L455 HydrophobicContact CG2-CB 4.5Å; V419-L455 HydrophobicContact CG2-CD2 4.29Å; D442-L455 WeakPolarHBondContact O-CA 3.48Å; N443-L455 HydrophobicContact CB-CD2 3.69Å; L455-I466 CarbonylContact O-C 3.53Å; L455-I466 VanDerWaalsContact O-CA 3.25Å; L455-I466 WeakPolarHBondContact O-CA 3.42Å; L455-F467 HydrophobicContact CB-CB 4.31Å; L455-F467 PolarHBondContact N-O 2.85Å; L455-F467 PolarHBondContact O-N 3.44Å
456R97.2Very high82.1Confident15 Ų1543.8 Ų43.86%0.05726%0.261CS..EExtended strand (participates in β ladder)trans-128.4136.8-178.7-50-175.5-59.7176.6-0.8110.5M307 E324 A441 D442 F444 F458 L465 I466M307-R456 HydrophobicContact CE-CG 4.45Å; M307-R456 HydrophobicContact CG-CG 4.48Å; M307-R456 WeakPolarHBondContact SD-CD 3.4Å; M307-R456 HydrophobicContact SD-CG 3.75Å; E324-R456 IonicContact OE1-NH1 3.12Å; E324-R456 PolarHBondContact OE1-NH1 2.88Å; E324-R456 IonicContact OE2-CZ 3.95Å; E324-R456 IonicContact OE2-NH1 2.83Å; E324-R456 PolarHBondContact OE2-NH1 3.05Å; A441-R456 CarbonylContact C-O 3.55Å; A441-R456 WeakPolarHBondContact CA-O 3.44Å; A441-R456 VanDerWaalsContact CB-O 3.28Å; A441-R456 WeakPolarHBondContact CB-O 3.42Å; D442-R456 PolarHBondContact N-O 3.04Å; D442-R456 PolarHBondContact O-N 3.21Å; D442-R456 IonicContact OD1-CZ 3.43Å; D442-R456 IonicContact OD1-NE 2.65Å; D442-R456 PolarHBondContact OD1-NE 3.02Å; D442-R456 IonicContact OD1-NH2 2.71Å; D442-R456 PolarHBondContact OD1-NH2 3Å; D442-R456 VanDerWaalsContact OD1-NH2 3.17Å; D442-R456 IonicContact OD2-CZ 3.75Å; D442-R456 IonicContact OD2-NE 2.81Å; D442-R456 IonicContact OD2-NH2 3.24Å; D442-R456 PolarHBondContact OD2-NH2 3.14Å; F444-R456 HydrophobicContact CB-CG 4.27Å; F444-R456 VanDerWaalsContact CD2-NH1 3.31Å; R456-F458 HydrophobicContact CB-CD2 4.28Å; R456-F458 HydrophobicContact CB-CE2 3.61Å; R456-F458 HydrophobicContact CB-CZ 4.23Å; R456-L465 CarbonylContact C-O 3.59Å; R456-L465 WeakPolarHBondContact CA-O 3.49Å; R456-I466 HydrophobicContact CG-CG1 4.3Å; R456-I466 HydrophobicContact CG-CG2 4.47Å
457I98.2Very high83Confident0 Ų041 Ų410%025%0.25CS..EExtended strand (participates in β ladder)trans-123121.8172.5-52.7173.3000106.7V419 F424 V438 A441 F459 R464 L465 F467 L511V419-I457 HydrophobicContact CB-CG1 4.49Å; V419-I457 HydrophobicContact CG1-CD1 3.75Å; V419-I457 HydrophobicContact CG1-CG1 3.93Å; F424-I457 HydrophobicContact CE1-CD1 4.09Å; F424-I457 HydrophobicContact CE1-CG1 4.16Å; F424-I457 HydrophobicContact CE1-CG2 3.95Å; F424-I457 HydrophobicContact CZ-CD1 4.05Å; V438-I457 HydrophobicContact CG1-CG2 4.1Å; V438-I457 HydrophobicContact CG2-CG2 3.94Å; A441-I457 HydrophobicContact CB-CB 4.48Å; A441-I457 HydrophobicContact CB-CG1 4.23Å; I457-F459 HydrophobicContact CB-CE2 4.47Å; I457-F459 HydrophobicContact CB-CZ 4.48Å; I457-F459 HydrophobicContact CG2-CE1 4.01Å; I457-F459 HydrophobicContact CG2-CE2 3.96Å; I457-F459 HydrophobicContact CG2-CZ 3.66Å; I457-R464 CarbonylContact O-C 3.29Å; I457-R464 VanDerWaalsContact O-CA 3.25Å; I457-R464 WeakPolarHBondContact O-CA 3.24Å; I457-L465 HydrophobicContact CB-CB 4.26Å; I457-L465 PolarHBondContact N-O 2.84Å; I457-L465 PolarHBondContact O-N 2.93Å; I457-F467 HydrophobicContact CD1-CE2 4.06Å; I457-L511 HydrophobicContact CD1-CD1 3.75Å
458F98Very high84.3Confident28 Ų2835.6 Ų35.612%0.12322%0.215CC..EExtended strand (participates in β ladder)trans-105.2138.3176.2-61.7-100.5000108.7V438 S439 K440 R456 R464V438-F458 CarbonylContact C-O 3.4Å; V438-F458 WeakPolarHBondContact CA-O 3.47Å; S439-F458 PolarHBondContact N-O 2.87Å; S439-F458 VanDerWaalsContact OG-C 3.32Å; S439-F458 WeakPolarHBondContact OG-CB 3.44Å; S439-F458 PolarHBondContact OG-O 3.28Å; S439-F458 VanDerWaalsContact OG-O 3.07Å; K440-F458 HydrophobicContact CD-CD2 4.09Å; K440-F458 HydrophobicContact CD-CG 4.39Å; K440-F458 VanDerWaalsContact CE-CD2 3.48Å; K440-F458 HydrophobicContact CG-CB 3.74Å; K440-F458 HydrophobicContact CG-CD2 3.63Å; K440-F458 HydrophobicContact CG-CE2 4.47Å; K440-F458 HydrophobicContact CG-CG 3.86Å; K440-F458 PolarHBondContact N-O 3.11Å; K440-F458 PolarHBondContact O-N 2.58Å; R456-F458 HydrophobicContact CB-CD2 4.28Å; R456-F458 HydrophobicContact CB-CE2 3.61Å; R456-F458 HydrophobicContact CB-CZ 4.23Å; F458-R464 HydrophobicContact CD1-CG 3.73Å; F458-R464 VanDerWaalsContact CE1-CD 3.41Å; F458-R464 HydrophobicContact CE1-CG 4.11Å; F458-R464 HydrophobicContact CG-CG 4.48Å
459F98.3Very high86.6Confident6 Ų633 Ų333%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-107.1158.4177-61-78.9000110.9F429 F436 T437 V438 S439 I457 D461 N462 S463 L465 L504F429-F459 HydrophobicContact CD2-CE1 4.46Å; F436-F459 HydrophobicContact CB-CD1 3.46Å; F436-F459 VanDerWaalsContact CB-CD1 3.46Å; F436-F459 HydrophobicContact CB-CE1 3.62Å; F436-F459 HydrophobicContact CB-CG 3.98Å; F436-F459 HydrophobicContact CB-CZ 4.3Å; F436-F459 HydrophobicContact CD1-CG 4.37Å; T437-F459 CarbonylContact O-C 3.46Å; T437-F459 VanDerWaalsContact O-CA 3.31Å; T437-F459 WeakPolarHBondContact O-CA 3.49Å; V438-F459 HydrophobicContact CG2-CD1 4.14Å; V438-F459 HydrophobicContact CG2-CE1 3.79Å; S439-F459 PolarHBondContact OG-O 3.33Å; I457-F459 HydrophobicContact CB-CE2 4.47Å; I457-F459 HydrophobicContact CB-CZ 4.48Å; I457-F459 HydrophobicContact CG2-CE1 4.01Å; I457-F459 HydrophobicContact CG2-CE2 3.96Å; I457-F459 HydrophobicContact CG2-CZ 3.66Å; F459-D461 WeakPolarHBondContact CB-OD1 3.33Å; F459-D461 PolarHBondContact O-N 2.8Å; F459-N462 PolarHBondContact O-N 3.18Å; F459-S463 WeakPolarHBondContact CD2-O 3.4Å; F459-S463 PolarHBondContact N-O 2.92Å; F459-L465 HydrophobicContact CE2-CB 4.34Å; F459-L465 HydrophobicContact CE2-CD1 4.05Å; F459-L465 HydrophobicContact CE2-CG 4.01Å; F459-L465 HydrophobicContact CZ-CD1 4.06Å; F459-L504 HydrophobicContact CD2-CD1 4.07Å; F459-L504 HydrophobicContact CE2-CD1 3.55Å; F459-L504 HydrophobicContact CZ-CD1 4.07Å
460T97.7Very high88.9Confident90 Ų9032.2 Ų32.255%0.55218%0.18SC*.THydrogen-bonded Turntrans-68-23.1-178.345.90000113.5T437 N462T437-T460 HydrophobicContact CG2-CG2 4.41Å; T437-T460 PolarHBondContact O-N 2.94Å; T437-T460 PolarHBondContact O-OG1 2.77Å; T460-N462 PolarHBondContact O-N 3.1Å
461D96.1Very high90.4Very high51 Ų5134.5 Ų34.527%0.27319%0.19SC..THydrogen-bonded Turntrans-80.82.3175.270.4-23.7000113.3F459 S463 Y486F459-D461 WeakPolarHBondContact CB-OD1 3.33Å; F459-D461 PolarHBondContact O-N 2.8Å; D461-S463 VanDerWaalsContact CG-OG 3.22Å; D461-S463 WeakPolarHBondContact OD1-CB 3.14Å; D461-S463 PolarHBondContact OD1-N 2.69Å; D461-S463 PolarHBondContact OD1-OG 2.84Å; D461-S463 PolarHBondContact OD2-OG 3.08Å; D461-Y486 WeakPolarHBondContact O-CD1 3.44Å
462N96.4Very high91.5Very high67 Ų6731.3 Ų31.336%0.35818%0.176SC..SBendtrans80.63.3-172.1-59.8-83.8000116.5R315 F459 T460 Y486R315-N462 PolarHBondContact NH1-OD1 3.08Å; R315-N462 VanDerWaalsContact NH2-CB 3.26Å; R315-N462 PolarHBondContact NH2-OD1 2.84Å; F459-N462 PolarHBondContact O-N 3.18Å; T460-N462 PolarHBondContact O-N 3.1Å; N462-Y486 HydrophobicContact CB-CD1 3.95Å; N462-Y486 HydrophobicContact CB-CG 4.03Å
463S98Very high92.4Very high0 Ų031.9 Ų31.90%018%0.175CC..  trans-72.1158.5173.8-58.20000111.4F459 D461 D484 Y485 Y486F459-S463 WeakPolarHBondContact CD2-O 3.4Å; F459-S463 PolarHBondContact N-O 2.92Å; D461-S463 VanDerWaalsContact CG-OG 3.22Å; D461-S463 WeakPolarHBondContact OD1-CB 3.14Å; D461-S463 PolarHBondContact OD1-N 2.69Å; D461-S463 PolarHBondContact OD1-OG 2.84Å; D461-S463 PolarHBondContact OD2-OG 3.08Å; S463-D484 CarbonylContact C-O 3.57Å; S463-D484 WeakPolarHBondContact CA-O 3.29Å; S463-Y485 VanDerWaalsContact OG-CD2 3.28Å; S463-Y485 WeakPolarHBondContact OG-CD2 3.49Å; S463-Y486 PolarHBondContact OG-N 3.21Å; S463-Y486 VanDerWaalsContact OG-N 3.11Å
464R98.2Very high92.6Very high9 Ų937.1 Ų37.13%0.03421%0.205CC..EExtended strand (participates in β ladder)trans-141145.5178.3-51.5-178.4-65.3149.58.4112.1T309 E324 I457 F458 D484T309-R464 PolarHBondContact O-NH2 2.84Å; E324-R464 IonicContact OE1-NH1 3.93Å; E324-R464 PolarHBondContact OE1-NH1 3.48Å; I457-R464 CarbonylContact O-C 3.29Å; I457-R464 VanDerWaalsContact O-CA 3.25Å; I457-R464 WeakPolarHBondContact O-CA 3.24Å; F458-R464 HydrophobicContact CD1-CG 3.73Å; F458-R464 VanDerWaalsContact CE1-CD 3.41Å; F458-R464 HydrophobicContact CE1-CG 4.11Å; F458-R464 HydrophobicContact CG-CG 4.48Å; R464-D484 HydrophobicContact CB-CB 4.21Å; R464-D484 IonicContact CZ-OD2 3.66Å; R464-D484 VanDerWaalsContact CZ-OD2 3.27Å; R464-D484 PolarHBondContact N-O 3.05Å; R464-D484 IonicContact NE-OD2 2.74Å; R464-D484 PolarHBondContact NE-OD2 3.25Å; R464-D484 IonicContact NH2-OD2 3.62Å; R464-D484 PolarHBondContact NH2-OD2 3.05Å; R464-D484 PolarHBondContact O-N 3.03Å
465L98.4Very high92.2Very high0 Ų041.1 Ų41.10%023%0.228CC..EExtended strand (participates in β ladder)trans-117.4138.6163.7-77.8173.1000109.5R456 I457 F459 F467 Y482 A483 L504 I507 A508R456-L465 CarbonylContact C-O 3.59Å; R456-L465 WeakPolarHBondContact CA-O 3.49Å; I457-L465 HydrophobicContact CB-CB 4.26Å; I457-L465 PolarHBondContact N-O 2.84Å; I457-L465 PolarHBondContact O-N 2.93Å; F459-L465 HydrophobicContact CE2-CB 4.34Å; F459-L465 HydrophobicContact CE2-CD1 4.05Å; F459-L465 HydrophobicContact CE2-CG 4.01Å; F459-L465 HydrophobicContact CZ-CD1 4.06Å; L465-F467 HydrophobicContact CB-CE2 4.02Å; L465-Y482 WeakPolarHBondContact CA-O 3.34Å; L465-A483 HydrophobicContact CD2-CB 4.06Å; L465-L504 HydrophobicContact CD1-CD1 3.99Å; L465-L504 HydrophobicContact CD1-CG 4.37Å; L465-L504 HydrophobicContact CD2-CD1 4.31Å; L465-L504 HydrophobicContact CD2-CD2 4.35Å; L465-L504 HydrophobicContact CD2-CG 3.81Å; L465-L504 HydrophobicContact CG-CD1 3.84Å; L465-L504 HydrophobicContact CG-CD2 4.46Å; L465-L504 HydrophobicContact CG-CG 3.91Å; L465-I507 HydrophobicContact CD1-CG2 4.23Å; L465-A508 HydrophobicContact CD1-CB 3.72Å; L465-A508 HydrophobicContact CD2-CB 3.59Å; L465-A508 HydrophobicContact CG-CB 4.28Å
466I97.7Very high91.9Very high2 Ų244.8 Ų44.81%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-132.5138.4178.7-55.5166.4000108.3M307 L455 R456 R468 I481 Y482M307-I466 HydrophobicContact CE-CG2 3.87Å; M307-I466 WeakPolarHBondContact O-CD1 3.34Å; M307-I466 HydrophobicContact SD-CB 4.49Å; M307-I466 HydrophobicContact SD-CD1 3.82Å; M307-I466 HydrophobicContact SD-CG1 4.23Å; M307-I466 HydrophobicContact SD-CG2 3.51Å; M307-I466 VanDerWaalsContact SD-CG2 3.51Å; L455-I466 CarbonylContact O-C 3.53Å; L455-I466 VanDerWaalsContact O-CA 3.25Å; L455-I466 WeakPolarHBondContact O-CA 3.42Å; R456-I466 HydrophobicContact CG-CG1 4.3Å; R456-I466 HydrophobicContact CG-CG2 4.47Å; I466-R468 HydrophobicContact CG2-CG 4.21Å; I466-I481 WeakPolarHBondContact O-CA 3.08Å; I466-Y482 HydrophobicContact CB-CD2 3.81Å; I466-Y482 HydrophobicContact CB-CG 4.28Å; I466-Y482 HydrophobicContact CG2-CD2 3.77Å; I466-Y482 HydrophobicContact CG2-CE2 4.3Å; I466-Y482 PolarHBondContact N-O 3.48Å; I466-Y482 WeakPolarHBondContact O-CD2 3.44Å; I466-Y482 PolarHBondContact O-N 3.12Å
467F97.3Very high91.7Very high0 Ų044 Ų440%024%0.243CC..EExtended strand (participates in β ladder)trans-125.4129177.2-58-101000109.2M412 L415 G454 L455 I457 L465 C480 I481 A508M412-F467 HydrophobicContact CE-CB 3.97Å; M412-F467 HydrophobicContact SD-CB 4.05Å; L415-F467 HydrophobicContact CD2-CB 4.08Å; L415-F467 HydrophobicContact CD2-CD1 3.68Å; L415-F467 HydrophobicContact CD2-CD2 3.66Å; L415-F467 HydrophobicContact CD2-CE1 3.95Å; L415-F467 HydrophobicContact CD2-CE2 3.94Å; L415-F467 HydrophobicContact CD2-CG 3.53Å; L415-F467 HydrophobicContact CD2-CZ 4.07Å; G454-F467 CarbonylContact C-O 3.54Å; G454-F467 VanDerWaalsContact CA-O 3.32Å; G454-F467 WeakPolarHBondContact CA-O 3.34Å; L455-F467 HydrophobicContact CB-CB 4.31Å; L455-F467 PolarHBondContact N-O 2.85Å; L455-F467 PolarHBondContact O-N 3.44Å; I457-F467 HydrophobicContact CD1-CE2 4.06Å; L465-F467 HydrophobicContact CB-CE2 4.02Å; F467-C480 WeakPolarHBondContact CA-O 3.25Å; F467-I481 HydrophobicContact CD1-CD1 4.07Å; F467-I481 HydrophobicContact CD1-CG1 3.73Å; F467-I481 HydrophobicContact CD1-CG2 4.44Å; F467-I481 HydrophobicContact CE1-CD1 3.78Å; F467-I481 HydrophobicContact CE1-CG1 3.87Å; F467-I481 HydrophobicContact CE1-CG2 4.1Å; F467-A508 HydrophobicContact CE1-CB 4.18Å; F467-A508 HydrophobicContact CZ-CB 3.81Å
468R94.7Very high91.4Very high28 Ų2845 Ų4511%0.10625%0.249CC..EExtended strand (participates in β ladder)trans-131.7150.2177.2-63.3-177.569-154-2110.4M307 S327 A453 I466 F470 V479 C480 Y482M307-R468 HydrophobicContact CE-CG 4.43Å; S327-R468 PolarHBondContact OG-NH1 2.81Å; A453-R468 PolarHBondContact O-NE 3.1Å; A453-R468 VanDerWaalsContact O-NE 3.12Å; I466-R468 HydrophobicContact CG2-CG 4.21Å; R468-F470 HydrophobicContact CB-CE2 3.88Å; R468-F470 HydrophobicContact CB-CZ 4.34Å; R468-V479 WeakPolarHBondContact O-CA 3.28Å; R468-C480 HydrophobicContact CB-CB 4.43Å; R468-C480 PolarHBondContact N-O 3.12Å; R468-C480 PolarHBondContact O-N 2.92Å; R468-Y482 HydrophobicContact CB-CE2 3.98Å; R468-Y482 HydrophobicContact CG-CE2 3.71Å
469L92.7Very high91.3Very high47 Ų4743.7 Ų43.725%0.24624%0.243CC..EExtended strand (participates in β ladder)trans-123.7132.6176.2-179.866.2000108.3C408 R409 M412 A477 T478 V479C408-L469 HydrophobicContact CB-CD1 3.58Å; C408-L469 HydrophobicContact CB-CD2 4.49Å; R409-L469 HydrophobicContact CG-CD2 3.69Å; M412-L469 HydrophobicContact CG-CB 4Å; M412-L469 HydrophobicContact CG-CD2 4.14Å; L469-A477 HydrophobicContact CD1-CB 3.7Å; L469-T478 WeakPolarHBondContact CA-O 3.39Å; L469-V479 HydrophobicContact CD1-CG2 3.77Å
470F89.1Confident91.2Very high77 Ų7743.7 Ų43.734%0.33824%0.244SC..EExtended strand (participates in β ladder)trans-121.9125.3174.4-59.5-90.4000108.5R468 V472 A477 T478 C480R468-F470 HydrophobicContact CB-CE2 3.88Å; R468-F470 HydrophobicContact CB-CZ 4.34Å; F470-V472 PolarHBondContact O-N 3Å; F470-A477 CarbonylContact O-C 3.42Å; F470-A477 WeakPolarHBondContact O-CA 3.35Å; F470-A477 VanDerWaalsContact O-CB 3.32Å; F470-A477 WeakPolarHBondContact O-CB 3.42Å; F470-T478 PolarHBondContact N-O 3.48Å; F470-T478 PolarHBondContact O-N 3.19Å; F470-C480 HydrophobicContact CE2-CB 4.13Å; F470-C480 WeakPolarHBondContact CE2-SG 3.42Å
471D80.3Confident91.1Very high91 Ų9139.6 Ų39.649%0.48722%0.218SC..EExtended strand (participates in β ladder)trans-77.6117.6170.1-65.6-22000107.8V405 R409V405-D471 WeakPolarHBondContact CG2-OD1 3.46Å; R409-D471 IonicContact CZ-OD1 3.86Å; R409-D471 IonicContact CZ-OD2 3.93Å; R409-D471 IonicContact NE-OD1 2.64Å; R409-D471 VanDerWaalsContact NH2-CG 3.33Å; R409-D471 IonicContact NH2-OD1 2.6Å; R409-D471 PolarHBondContact NH2-OD1 3.08Å; R409-D471 IonicContact NH2-OD2 3.95Å; R409-D471 PolarHBondContact NH2-OD2 2.91Å
472V72.5Confident91.2Very high84 Ų8437.4 Ų37.451%0.50921%0.206SC..  trans-86.1-41.6176.5179.50000109.4F470 E476 T478F470-V472 PolarHBondContact O-N 3Å; V472-E476 HydrophobicContact CB-CB 4.3Å; V472-E476 PolarHBondContact N-O 2.86Å; V472-T478 WeakPolarHBondContact CG2-OG1 3.19Å
473S79.2Confident91.2Very high44 Ų4434.2 Ų34.231%0.30819%0.19SC..SBendtrans-145.6-171.4176.174.30000110.3T475 E476S473-T475 PolarHBondContact O-N 3.17Å; S473-T475 PolarHBondContact OG-N 3.39Å; S473-T475 PolarHBondContact OG-OG1 3.41Å; S473-E476 PolarHBondContact N-O 3.38Å; S473-E476 WeakPolarHBondContact OG-CB 3.19Å; S473-E476 PolarHBondContact OG-N 3.09Å
474T78.5Confident91.2Very high134 Ų13434.3 Ų34.382%0.82219%0.19SC*.SBendtrans-67.6-14.8173.450.10000113.7V405V405-T474 WeakPolarHBondContact CG1-O 3.35Å
475T82.8Confident91.2Very high87 Ų8734.2 Ų34.253%0.53419%0.19SC..SBendtrans-123.2-23-176.949.70000113.4V405 S473V405-T475 PolarHBondContact N-O 2.83Å; S473-T475 PolarHBondContact O-N 3.17Å; S473-T475 PolarHBondContact OG-N 3.39Å; S473-T475 PolarHBondContact OG-OG1 3.41Å
476E88.7Confident91.2Very high80 Ų8035.9 Ų35.937%0.37420%0.196SC..EExtended strand (participates in β ladder)trans-114.3142.1-174.5-65.4174.3149.600111.6C403 V472 S473C403-E476 CarbonylContact O-C 3.56Å; C403-E476 WeakPolarHBondContact O-CA 3.14Å; V472-E476 HydrophobicContact CB-CB 4.3Å; V472-E476 PolarHBondContact N-O 2.86Å; S473-E476 PolarHBondContact N-O 3.38Å; S473-E476 WeakPolarHBondContact OG-CB 3.19Å; S473-E476 PolarHBondContact OG-N 3.09Å
477A92.5Very high91.1Very high0 Ų035.9 Ų35.90%020%0.196CC..EExtended strand (participates in β ladder)trans-137158.5175.600000111.6C403 V405 C408 L469 F470C403-A477 WeakPolarHBondContact CB-O 3.44Å; C403-A477 PolarHBondContact N-O 3.02Å; C403-A477 PolarHBondContact O-N 3.17Å; V405-A477 HydrophobicContact CB-CB 4.13Å; V405-A477 HydrophobicContact CG2-CB 4.1Å; C408-A477 HydrophobicContact CB-CB 4.39Å; L469-A477 HydrophobicContact CD1-CB 3.7Å; F470-A477 CarbonylContact O-C 3.42Å; F470-A477 WeakPolarHBondContact O-CA 3.35Å; F470-A477 VanDerWaalsContact O-CB 3.32Å; F470-A477 WeakPolarHBondContact O-CB 3.42Å
478T93.2Very high91.1Very high20 Ų2041.3 Ų41.312%0.12323%0.225CC..EExtended strand (participates in β ladder)trans-111.9124.9169.8-61.80000109.4D399 F400 E401 L469 F470 V472D399-T478 HydrophobicContact CB-CG2 4.37Å; F400-T478 VanDerWaalsContact O-CA 3.3Å; F400-T478 WeakPolarHBondContact O-CA 3.49Å; E401-T478 HydrophobicContact CG-CG2 4.02Å; L469-T478 WeakPolarHBondContact CA-O 3.39Å; F470-T478 PolarHBondContact N-O 3.48Å; F470-T478 PolarHBondContact O-N 3.19Å; V472-T478 WeakPolarHBondContact CG2-OG1 3.19Å
479V95.4Very high91.1Very high0 Ų043.6 Ų43.60%024%0.24CC..EExtended strand (participates in β ladder)trans-98.1122.1170.6173.30000108.5F400 C408 M411 R468 L469 I481 I514F400-V479 HydrophobicContact CB-CB 4.24Å; F400-V479 PolarHBondContact N-O 2.86Å; F400-V479 PolarHBondContact O-N 2.84Å; C408-V479 HydrophobicContact CB-CG2 3.86Å; M411-V479 HydrophobicContact CE-CB 4.4Å; M411-V479 HydrophobicContact CE-CG1 3.59Å; M411-V479 HydrophobicContact CE-CG2 3.87Å; R468-V479 WeakPolarHBondContact O-CA 3.28Å; L469-V479 HydrophobicContact CD1-CG2 3.77Å; V479-I481 HydrophobicContact CG1-CG1 4.44Å; V479-I514 HydrophobicContact CG1-CD1 4.3Å
480C95.3Very high91.2Very high7 Ų748 Ų485%0.04726%0.257CS..EExtended strand (participates in β ladder)trans-107.5127.5175.8-59.50000110Y398 D399 F467 R468 F470 Y482Y398-C480 CarbonylContact O-C 3.52Å; Y398-C480 WeakPolarHBondContact O-CA 3.45Å; D399-C480 PolarHBondContact OD1-SG 2.99Å; F467-C480 WeakPolarHBondContact CA-O 3.25Å; R468-C480 HydrophobicContact CB-CB 4.43Å; R468-C480 PolarHBondContact N-O 3.12Å; R468-C480 PolarHBondContact O-N 2.92Å; F470-C480 HydrophobicContact CE2-CB 4.13Å; F470-C480 WeakPolarHBondContact CE2-SG 3.42Å; C480-Y482 HydrophobicContact CB-CD2 4.49Å; C480-Y482 HydrophobicContact CB-CE1 4.49Å; C480-Y482 HydrophobicContact CB-CE2 3.59Å; C480-Y482 WeakPolarHBondContact CB-OH 3.27Å
481I97Very high91.5Very high4 Ų452.1 Ų52.12%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-111.5123.2171.6-58.3-178.4000108.2R397 Y398 F400 I466 F467 V479 A508 F509 I514R397-I481 WeakPolarHBondContact CA-O 3.13Å; Y398-I481 PolarHBondContact N-O 3.17Å; Y398-I481 PolarHBondContact O-N 3.43Å; F400-I481 HydrophobicContact CE2-CD1 4.14Å; I466-I481 WeakPolarHBondContact O-CA 3.08Å; F467-I481 HydrophobicContact CD1-CD1 4.07Å; F467-I481 HydrophobicContact CD1-CG1 3.73Å; F467-I481 HydrophobicContact CD1-CG2 4.44Å; F467-I481 HydrophobicContact CE1-CD1 3.78Å; F467-I481 HydrophobicContact CE1-CG1 3.87Å; F467-I481 HydrophobicContact CE1-CG2 4.1Å; V479-I481 HydrophobicContact CG1-CG1 4.44Å; I481-A508 HydrophobicContact CG2-CB 3.83Å; I481-F509 HydrophobicContact CD1-CD1 3.96Å; I481-F509 HydrophobicContact CD1-CE1 3.93Å; I481-I514 HydrophobicContact CD1-CD1 3.63Å
482Y97.1Very high92.2Very high4 Ų451.7 Ų51.72%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-110.2124.5176.6-42.5-102.3000109P308 E347 F395 R397 L465 I466 R468 C480P308-Y482 HydrophobicContact CB-CD1 3.65Å; P308-Y482 HydrophobicContact CB-CD2 4.03Å; P308-Y482 HydrophobicContact CB-CE1 3.49Å; P308-Y482 VanDerWaalsContact CB-CE1 3.49Å; P308-Y482 HydrophobicContact CB-CE2 3.93Å; P308-Y482 HydrophobicContact CB-CG 3.89Å; P308-Y482 HydrophobicContact CG-CE1 4.29Å; E347-Y482 HydrophobicContact CG-CE1 4.37Å; E347-Y482 VanDerWaalsContact OE1-CE1 3.29Å; E347-Y482 WeakPolarHBondContact OE1-CE1 3.36Å; F395-Y482 HydrophobicContact CE2-CD1 4.42Å; F395-Y482 AromaticContact CZ-CD1 3.84Å; F395-Y482 HydrophobicContact CZ-CD1 3.84Å; R397-Y482 HydrophobicContact CB-CD1 4.09Å; R397-Y482 HydrophobicContact CB-CE1 4.45Å; R397-Y482 HydrophobicContact CG-CD1 3.58Å; R397-Y482 HydrophobicContact CG-CE1 3.58Å; R397-Y482 HydrophobicContact CG-CG 4.42Å; L465-Y482 WeakPolarHBondContact CA-O 3.34Å; I466-Y482 HydrophobicContact CB-CD2 3.81Å; I466-Y482 HydrophobicContact CB-CG 4.28Å; I466-Y482 HydrophobicContact CG2-CD2 3.77Å; I466-Y482 HydrophobicContact CG2-CE2 4.3Å; I466-Y482 PolarHBondContact N-O 3.48Å; I466-Y482 WeakPolarHBondContact O-CD2 3.44Å; I466-Y482 PolarHBondContact O-N 3.12Å; R468-Y482 HydrophobicContact CB-CE2 3.98Å; R468-Y482 HydrophobicContact CG-CE2 3.71Å; C480-Y482 HydrophobicContact CB-CD2 4.49Å; C480-Y482 HydrophobicContact CB-CE1 4.49Å; C480-Y482 HydrophobicContact CB-CE2 3.59Å; C480-Y482 WeakPolarHBondContact CB-OH 3.27Å
483A97.5Very high93.4Very high1 Ų147.8 Ų47.81%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-109.3116.8173.300000109.2F395 I396 L465 L504 I505F395-A483 CarbonylContact C-O 3.58Å; F395-A483 WeakPolarHBondContact CA-O 3.43Å; I396-A483 PolarHBondContact N-O 3.23Å; I396-A483 PolarHBondContact O-N 3.47Å; L465-A483 HydrophobicContact CD2-CB 4.06Å; A483-L504 HydrophobicContact CB-CD2 4.23Å; A483-L504 HydrophobicContact CB-CG 4.47Å; A483-I505 HydrophobicContact CB-CG1 3.9Å
484D97.9Very high94Very high2 Ų250.3 Ų50.31%0.01125%0.252CS..EExtended strand (participates in β ladder)trans-113.891.4174176.710.4000107.9A310 A311 N393 F395 S463 R464A310-D484 WeakPolarHBondContact CA-OD2 3.41Å; A311-D484 PolarHBondContact N-OD2 3.07Å; N393-D484 WeakPolarHBondContact CB-OD1 3.5Å; N393-D484 PolarHBondContact ND2-OD1 3.01Å; F395-D484 HydrophobicContact CD2-CB 4.28Å; S463-D484 CarbonylContact C-O 3.57Å; S463-D484 WeakPolarHBondContact CA-O 3.29Å; R464-D484 HydrophobicContact CB-CB 4.21Å; R464-D484 IonicContact CZ-OD2 3.66Å; R464-D484 VanDerWaalsContact CZ-OD2 3.27Å; R464-D484 PolarHBondContact N-O 3.05Å; R464-D484 IonicContact NE-OD2 2.74Å; R464-D484 PolarHBondContact NE-OD2 3.25Å; R464-D484 IonicContact NH2-OD2 3.62Å; R464-D484 PolarHBondContact NH2-OD2 3.05Å; R464-D484 PolarHBondContact O-N 3.03Å
485Y97.5Very high94.8Very high7 Ų747.8 Ų47.83%0.02723%0.233CC..EExtended strand (participates in β ladder)trans-95.5115.6-176.3174.9-126.7000111V394 Q434 F436 S463 V487 R492 L500V394-Y485 HydrophobicContact CB-CD1 4.42Å; V394-Y485 WeakPolarHBondContact CB-O 3.49Å; V394-Y485 PolarHBondContact N-O 3.21Å; V394-Y485 PolarHBondContact O-N 3.32Å; Q434-Y485 VanDerWaalsContact OE1-CZ 3.29Å; Q434-Y485 PolarHBondContact OE1-OH 3.01Å; F436-Y485 AromaticContact CE1-CD2 3.61Å; F436-Y485 HydrophobicContact CE1-CD2 3.61Å; F436-Y485 AromaticContact CE1-CE2 3.6Å; F436-Y485 HydrophobicContact CE1-CE2 3.6Å; F436-Y485 AromaticContact CZ-CD2 3.91Å; F436-Y485 HydrophobicContact CZ-CD2 3.91Å; F436-Y485 AromaticContact CZ-CE2 3.81Å; F436-Y485 HydrophobicContact CZ-CE2 3.81Å; S463-Y485 VanDerWaalsContact OG-CD2 3.28Å; S463-Y485 WeakPolarHBondContact OG-CD2 3.49Å; Y485-V487 HydrophobicContact CD1-CG2 3.62Å; Y485-V487 HydrophobicContact CE1-CG2 3.25Å; Y485-V487 HydrophobicContact CG-CG2 4.42Å; Y485-R492 VanDerWaalsContact OH-CZ 3.28Å; Y485-R492 PolarHBondContact OH-NH1 3.12Å; Y485-R492 PolarHBondContact OH-NH2 3.38Å; Y485-L500 HydrophobicContact CD1-CB 3.98Å; Y485-L500 WeakPolarHBondContact CD1-O 3.48Å; Y485-L500 HydrophobicContact CE1-CB 4.08Å; Y485-L500 HydrophobicContact CE1-CD2 4.34Å; Y485-L500 VanDerWaalsContact CE1-O 3.23Å; Y485-L500 WeakPolarHBondContact CE1-O 3.35Å
486Y97.8Very high95.2Very high35 Ų3546.5 Ų46.514%0.13723%0.227CC..EExtended strand (participates in β ladder)trans-86.5124-176.8-177.4-107.9000112.3F390 D461 N462 S463 N488F390-Y486 PolarHBondContact O-OH 2.95Å; D461-Y486 WeakPolarHBondContact O-CD1 3.44Å; N462-Y486 HydrophobicContact CB-CD1 3.95Å; N462-Y486 HydrophobicContact CB-CG 4.03Å; S463-Y486 PolarHBondContact OG-N 3.21Å; S463-Y486 VanDerWaalsContact OG-N 3.11Å; Y486-N488 HydrophobicContact CE1-CB 3.92Å
487V97Very high95.4Very high2 Ų244.1 Ų44.11%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-120.5105.6-179.1-171.90000110.8R392 V394 Y485 R492 Q493 L500R392-V487 HydrophobicContact CB-CB 4.48Å; R392-V487 PolarHBondContact N-O 2.92Å; R392-V487 PolarHBondContact O-N 2.83Å; V394-V487 HydrophobicContact CG2-CG2 3.86Å; Y485-V487 HydrophobicContact CD1-CG2 3.62Å; Y485-V487 HydrophobicContact CE1-CG2 3.25Å; Y485-V487 HydrophobicContact CG-CG2 4.42Å; V487-R492 HydrophobicContact CG1-CB 3.7Å; V487-Q493 HydrophobicContact CB-CG 4.41Å; V487-Q493 HydrophobicContact CG1-CG 4.07Å; V487-Q493 PolarHBondContact O-NE2 3.42Å; V487-L500 HydrophobicContact CG2-CD1 4.39Å; V487-L500 HydrophobicContact CG2-CD2 4.34Å
488N95.6Very high95.3Very high113 Ų11347.7 Ų47.760%0.60425%0.247SC*.  trans-86.8-23.7174.1-166.840.5000113.2Y486 K490Y486-N488 HydrophobicContact CE1-CB 3.92Å; N488-K490 PolarHBondContact O-N 2.89Å
489D95.9Very high95.4Very high77 Ų7750.8 Ų50.841%0.41227%0.265SS..  trans-70118179.9179.1-92.1000111.6Q491 R492 Q493D489-Q491 VanDerWaalsContact C-N 3.29Å; D489-Q491 PolarHBondContact O-N 3.45Å; D489-Q491 WeakPolarHBondContact OD1-CB 3.34Å; D489-Q491 PolarHBondContact OD1-N 3.47Å; D489-R492 HydrophobicContact CB-CB 4.11Å; D489-R492 HydrophobicContact CB-CG 4.18Å; D489-R492 PolarHBondContact O-N 3.22Å; D489-R492 WeakPolarHBondContact OD1-CB 3.47Å; D489-R492 WeakPolarHBondContact OD1-CG 3.41Å; D489-R492 PolarHBondContact OD1-N 3.35Å; D489-Q493 VanDerWaalsContact O-CG 3.29Å; D489-Q493 WeakPolarHBondContact O-CG 3.37Å; D489-Q493 PolarHBondContact O-N 2.83Å
490K94.8Very high95.4Very high139 Ų13950.9 Ų50.960%0.60427%0.265SS*.THydrogen-bonded Turntrans-64.2-29.2-172.6-67.1-175.2177.4-177.90114G388 N488 Q494G388-K490 WeakPolarHBondContact O-CE 3.16Å; N488-K490 PolarHBondContact O-N 2.89Å; K490-Q494 PolarHBondContact O-NE2 3Å
491Q95.1Very high95.4Very high163 Ų16350.5 Ų50.576%0.76226%0.263SS*.THydrogen-bonded Turntrans-74.8-45.9177.3-66.6-175.4-300110D489 Q493 Q494D489-Q491 VanDerWaalsContact C-N 3.29Å; D489-Q491 PolarHBondContact O-N 3.45Å; D489-Q491 WeakPolarHBondContact OD1-CB 3.34Å; D489-Q491 PolarHBondContact OD1-N 3.47Å; Q491-Q493 VanDerWaalsContact C-N 3.26Å; Q491-Q493 PolarHBondContact O-N 3.36Å; Q491-Q494 WeakPolarHBondContact O-CB 3.33Å; Q491-Q494 PolarHBondContact O-N 3.28Å; Q491-Q494 VanDerWaalsContact O-N 3.17Å
492R95.7Very high95.3Very high82 Ų8254.4 Ų54.431%0.30928%0.28SS..G310 helixtrans-63-31.1177.1-69-176.370.1-162.7-1112.7Y485 V487 D489 Q494 L495 L500Y485-R492 VanDerWaalsContact OH-CZ 3.28Å; Y485-R492 PolarHBondContact OH-NH1 3.12Å; Y485-R492 PolarHBondContact OH-NH2 3.38Å; V487-R492 HydrophobicContact CG1-CB 3.7Å; D489-R492 HydrophobicContact CB-CB 4.11Å; D489-R492 HydrophobicContact CB-CG 4.18Å; D489-R492 PolarHBondContact O-N 3.22Å; D489-R492 WeakPolarHBondContact OD1-CB 3.47Å; D489-R492 WeakPolarHBondContact OD1-CG 3.41Å; D489-R492 PolarHBondContact OD1-N 3.35Å; R492-Q494 PolarHBondContact O-N 2.85Å; R492-L495 WeakPolarHBondContact O-CB 3.46Å; R492-L495 PolarHBondContact O-N 2.95Å; R492-L500 HydrophobicContact CB-CD2 4.26Å; R492-L500 WeakPolarHBondContact O-CD1 3.15Å
493Q96.1Very high95.3Very high3 Ų354.2 Ų54.21%0.01428%0.279CS..G310 helixtrans-55.1-21.6175.1-75.2171.93.100113.9W387 R392 V487 D489 Q491W387-Q493 PolarHBondContact O-NE2 2.7Å; W387-Q493 VanDerWaalsContact O-NE2 3.08Å; W387-Q493 PolarHBondContact O-OE1 3.42Å; R392-Q493 HydrophobicContact CB-CG 3.84Å; R392-Q493 PolarHBondContact NH1-O 2.87Å; V487-Q493 HydrophobicContact CB-CG 4.41Å; V487-Q493 HydrophobicContact CG1-CG 4.07Å; V487-Q493 PolarHBondContact O-NE2 3.42Å; D489-Q493 VanDerWaalsContact O-CG 3.29Å; D489-Q493 WeakPolarHBondContact O-CG 3.37Å; D489-Q493 PolarHBondContact O-N 2.83Å; Q491-Q493 VanDerWaalsContact C-N 3.26Å; Q491-Q493 PolarHBondContact O-N 3.36Å
494Q92.8Very high95.3Very high96 Ų9654.2 Ų54.245%0.44928%0.279SS..G310 helixtrans-81.6-13.8179.4-50.2-54.9-53.200113.6K490 Q491 R492K490-Q494 PolarHBondContact O-NE2 3Å; Q491-Q494 WeakPolarHBondContact O-CB 3.33Å; Q491-Q494 PolarHBondContact O-N 3.28Å; Q491-Q494 VanDerWaalsContact O-N 3.17Å; R492-Q494 PolarHBondContact O-N 2.85Å
495L94.6Very high95.2Very high82 Ų8254.5 Ų54.543%0.42928%0.28SS..SBendtrans-72.5160.4-178.9-60.5175.1000111.6R392 R492 L500R392-L495 PolarHBondContact NH1-O 2.87Å; R492-L495 WeakPolarHBondContact O-CB 3.46Å; R492-L495 PolarHBondContact O-N 2.95Å; L495-L500 HydrophobicContact CB-CD1 3.99Å; L495-L500 HydrophobicContact CB-CD2 4Å; L495-L500 HydrophobicContact CB-CG 3.8Å; L495-L500 HydrophobicContact CD1-CD2 3.92Å
496S92.7Very high95.2Very high59 Ų5956.7 Ų56.741%0.41329%0.293SS..  trans-65151.6177.168.20000111.4S498 V499 L500S496-S498 VanDerWaalsContact C-N 3.32Å; S496-S498 PolarHBondContact O-N 3.37Å; S496-S498 PolarHBondContact OG-OG 3.38Å; S496-V499 PolarHBondContact O-N 3.12Å; S496-V499 WeakPolarHBondContact OG-CB 3.2Å; S496-V499 WeakPolarHBondContact OG-CG2 3.19Å; S496-V499 PolarHBondContact OG-N 3.49Å; S496-L500 WeakPolarHBondContact O-CG 3.44Å; S496-L500 PolarHBondContact O-N 2.88Å; S496-L500 VanDerWaalsContact O-N 3.1Å
497A92.8Very high95.2Very high30 Ų3055.4 Ų55.425%0.24829%0.288CS..Hα-helixtrans-60-43.7179.200000111.7V394 I396 V499 L500 A501V394-A497 HydrophobicContact CG1-CB 3.66Å; I396-A497 HydrophobicContact CD1-CB 4.27Å; I396-A497 HydrophobicContact CG1-CB 4.4Å; A497-V499 VanDerWaalsContact C-N 3.32Å; A497-V499 PolarHBondContact O-N 3.12Å; A497-L500 PolarHBondContact O-N 3.39Å; A497-A501 WeakPolarHBondContact O-CB 3.41Å; A497-A501 PolarHBondContact O-N 2.97Å
498S89.8Confident95.2Very high76 Ų7655.3 Ų55.353%0.53129%0.288SS..Hα-helixtrans-59.1-39179.154.50000113.2S496 K502S496-S498 VanDerWaalsContact C-N 3.32Å; S496-S498 PolarHBondContact O-N 3.37Å; S496-S498 PolarHBondContact OG-OG 3.38Å; S498-K502 VanDerWaalsContact O-CB 3.28Å; S498-K502 WeakPolarHBondContact O-CB 3.17Å; S498-K502 PolarHBondContact O-N 3.37Å
499V94.2Very high95.3Very high84 Ų8451.6 Ų51.651%0.50927%0.266SS..Hα-helixtrans-71.1-44.1176.3169.90000111S496 A497S496-V499 PolarHBondContact O-N 3.12Å; S496-V499 WeakPolarHBondContact OG-CB 3.2Å; S496-V499 WeakPolarHBondContact OG-CG2 3.19Å; S496-V499 PolarHBondContact OG-N 3.49Å; A497-V499 VanDerWaalsContact C-N 3.32Å; A497-V499 PolarHBondContact O-N 3.12Å
500L96Very high95.3Very high2 Ų251.4 Ų51.41%0.0128%0.275CS..Hα-helixtrans-68.6-44.4-176.1-73.3170.7000112.6V394 Y485 V487 R492 L495 S496 A497V394-L500 HydrophobicContact CB-CB 4.48Å; V394-L500 HydrophobicContact CG1-CB 4.09Å; V394-L500 HydrophobicContact CG2-CB 4.04Å; V394-L500 HydrophobicContact CG2-CD1 3.64Å; V394-L500 HydrophobicContact CG2-CG 4.48Å; Y485-L500 HydrophobicContact CD1-CB 3.98Å; Y485-L500 WeakPolarHBondContact CD1-O 3.48Å; Y485-L500 HydrophobicContact CE1-CB 4.08Å; Y485-L500 HydrophobicContact CE1-CD2 4.34Å; Y485-L500 VanDerWaalsContact CE1-O 3.23Å; Y485-L500 WeakPolarHBondContact CE1-O 3.35Å; V487-L500 HydrophobicContact CG2-CD1 4.39Å; V487-L500 HydrophobicContact CG2-CD2 4.34Å; R492-L500 HydrophobicContact CB-CD2 4.26Å; R492-L500 WeakPolarHBondContact O-CD1 3.15Å; L495-L500 HydrophobicContact CB-CD1 3.99Å; L495-L500 HydrophobicContact CB-CD2 4Å; L495-L500 HydrophobicContact CB-CG 3.8Å; L495-L500 HydrophobicContact CD1-CD2 3.92Å; S496-L500 WeakPolarHBondContact O-CG 3.44Å; S496-L500 PolarHBondContact O-N 2.88Å; S496-L500 VanDerWaalsContact O-N 3.1Å; A497-L500 PolarHBondContact O-N 3.39Å
501A95Very high95.4Very high0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-81.7-16.4-174.700000113.7V394 I396 A497 L504 I505V394-A501 HydrophobicContact CG1-CB 4.08Å; I396-A501 HydrophobicContact CD1-CB 3.76Å; I396-A501 HydrophobicContact CG1-CB 4.18Å; A497-A501 WeakPolarHBondContact O-CB 3.41Å; A497-A501 PolarHBondContact O-N 2.97Å; A501-L504 WeakPolarHBondContact O-CB 3.31Å; A501-L504 PolarHBondContact O-N 3.08Å; A501-I505 HydrophobicContact CB-CD1 4.06Å; A501-I505 WeakPolarHBondContact O-CG1 3.36Å; A501-I505 PolarHBondContact O-N 2.82Å
502K95.4Very high95.5Very high86 Ų8638.4 Ų38.437%0.37422%0.218SC..Hα-helixtrans-49.3-48-175.8169.7165.8176.444.20114.2E432 S498 L504 I505 D506E432-K502 VanDerWaalsContact OE1-CE 3.29Å; E432-K502 WeakPolarHBondContact OE1-CE 3.45Å; S498-K502 VanDerWaalsContact O-CB 3.28Å; S498-K502 WeakPolarHBondContact O-CB 3.17Å; S498-K502 PolarHBondContact O-N 3.37Å; K502-L504 VanDerWaalsContact C-N 3.28Å; K502-L504 PolarHBondContact O-N 3.3Å; K502-I505 PolarHBondContact O-N 3.46Å; K502-I505 VanDerWaalsContact O-N 3.17Å; K502-D506 VanDerWaalsContact NZ-CG 3.31Å; K502-D506 IonicContact NZ-OD1 3.08Å; K502-D506 PolarHBondContact NZ-OD1 2.98Å; K502-D506 IonicContact NZ-OD2 2.65Å; K502-D506 PolarHBondContact NZ-OD2 2.81Å; K502-D506 PolarHBondContact O-N 3.13Å
503P97Very high95.5Very high0 Ų037.9 Ų37.90%022%0.219CC..Hα-helixtrans-60.4-36.4178.5-30.641.3000113.8A431 E432 Q434 F436 I507A431-P503 HydrophobicContact CB-CB 3.96Å; A431-P503 WeakPolarHBondContact CB-O 3.39Å; E432-P503 HydrophobicContact CB-CG 4.37Å; E432-P503 HydrophobicContact CG-CG 4.33Å; Q434-P503 HydrophobicContact CB-CB 4.16Å; Q434-P503 HydrophobicContact CG-CB 4.38Å; Q434-P503 HydrophobicContact CG-CG 4.28Å; F436-P503 HydrophobicContact CE2-CB 4.03Å; F436-P503 HydrophobicContact CZ-CB 4.5Å; P503-I507 WeakPolarHBondContact O-CD1 3.2Å; P503-I507 WeakPolarHBondContact O-CG1 3.14Å; P503-I507 PolarHBondContact O-N 3.34Å
504L97.6Very high95.5Very high0 Ų037.8 Ų37.80%022%0.218CC..Hα-helixtrans-71.6-37.3178.3-169.660.3000111.3F436 F459 L465 A483 A501 K502 I507 A508F436-L504 HydrophobicContact CD1-CD1 3.96Å; F436-L504 HydrophobicContact CE1-CB 4.5Å; F436-L504 HydrophobicContact CE1-CD1 3.98Å; F436-L504 HydrophobicContact CG-CD1 4.23Å; F436-L504 HydrophobicContact CZ-CB 4.12Å; F436-L504 HydrophobicContact CZ-CD1 4.24Å; F459-L504 HydrophobicContact CD2-CD1 4.07Å; F459-L504 HydrophobicContact CE2-CD1 3.55Å; F459-L504 HydrophobicContact CZ-CD1 4.07Å; L465-L504 HydrophobicContact CD1-CD1 3.99Å; L465-L504 HydrophobicContact CD1-CG 4.37Å; L465-L504 HydrophobicContact CD2-CD1 4.31Å; L465-L504 HydrophobicContact CD2-CD2 4.35Å; L465-L504 HydrophobicContact CD2-CG 3.81Å; L465-L504 HydrophobicContact CG-CD1 3.84Å; L465-L504 HydrophobicContact CG-CD2 4.46Å; L465-L504 HydrophobicContact CG-CG 3.91Å; A483-L504 HydrophobicContact CB-CD2 4.23Å; A483-L504 HydrophobicContact CB-CG 4.47Å; A501-L504 WeakPolarHBondContact O-CB 3.31Å; A501-L504 PolarHBondContact O-N 3.08Å; K502-L504 VanDerWaalsContact C-N 3.28Å; K502-L504 PolarHBondContact O-N 3.3Å; L504-I507 PolarHBondContact O-N 3.4Å; L504-A508 PolarHBondContact O-N 3.36Å
505I96.8Very high95.7Very high8 Ų839.9 Ų39.94%0.04123%0.226CC..Hα-helixtrans-65.2-44.4174.3-65.5166.2000111I396 Y398 A483 A501 K502 I507 A508 F509I396-I505 HydrophobicContact CB-CD1 4.46Å; I396-I505 HydrophobicContact CD1-CD1 4.19Å; I396-I505 HydrophobicContact CG2-CD1 4.11Å; Y398-I505 HydrophobicContact CD2-CG2 4.31Å; Y398-I505 HydrophobicContact CE1-CD1 4.03Å; Y398-I505 HydrophobicContact CE2-CG2 3.76Å; A483-I505 HydrophobicContact CB-CG1 3.9Å; A501-I505 HydrophobicContact CB-CD1 4.06Å; A501-I505 WeakPolarHBondContact O-CG1 3.36Å; A501-I505 PolarHBondContact O-N 2.82Å; K502-I505 PolarHBondContact O-N 3.46Å; K502-I505 VanDerWaalsContact O-N 3.17Å; I505-I507 VanDerWaalsContact C-N 3.26Å; I505-I507 PolarHBondContact O-N 2.83Å; I505-A508 WeakPolarHBondContact O-CA 3.22Å; I505-A508 VanDerWaalsContact O-CB 3.29Å; I505-A508 WeakPolarHBondContact O-CB 3.48Å; I505-A508 PolarHBondContact O-N 3.05Å; I505-F509 HydrophobicContact CG2-CD1 4.35Å; I505-F509 HydrophobicContact CG2-CD2 4.45Å; I505-F509 HydrophobicContact CG2-CE1 4Å; I505-F509 HydrophobicContact CG2-CE2 4.11Å; I505-F509 HydrophobicContact CG2-CZ 3.9Å; I505-F509 PolarHBondContact O-N 3.47Å
506D96.7Very high95.8Very high54 Ų5442.2 Ų42.229%0.28923%0.233SC..Hα-helixtrans-60.3-38.8177.7-69.8-22.2000111A431 K502 F509 A510A431-D506 HydrophobicContact CB-CB 4.31Å; K502-D506 VanDerWaalsContact NZ-CG 3.31Å; K502-D506 IonicContact NZ-OD1 3.08Å; K502-D506 PolarHBondContact NZ-OD1 2.98Å; K502-D506 IonicContact NZ-OD2 2.65Å; K502-D506 PolarHBondContact NZ-OD2 2.81Å; K502-D506 PolarHBondContact O-N 3.13Å; D506-F509 PolarHBondContact O-N 3.46Å; D506-A510 WeakPolarHBondContact O-CB 3.47Å; D506-A510 PolarHBondContact O-N 3.36Å
507I97.6Very high96Very high8 Ų840.4 Ų40.44%0.04122%0.218CC..Hα-helixtrans-64.7-42.2172.3-70.2164.8000111.2F429 A431 F436 L465 P503 L504 I505 F509 A510 L511F429-I507 HydrophobicContact CB-CD1 3.74Å; F429-I507 HydrophobicContact CB-CG1 3.93Å; F429-I507 HydrophobicContact CB-CG2 3.88Å; F429-I507 HydrophobicContact CG-CG2 4.08Å; A431-I507 HydrophobicContact CB-CD1 4.05Å; A431-I507 HydrophobicContact CB-CG1 3.89Å; F436-I507 HydrophobicContact CB-CD1 4.29Å; F436-I507 HydrophobicContact CD2-CD1 3.23Å; F436-I507 HydrophobicContact CE2-CD1 3.82Å; F436-I507 HydrophobicContact CG-CD1 4.07Å; L465-I507 HydrophobicContact CD1-CG2 4.23Å; P503-I507 WeakPolarHBondContact O-CD1 3.2Å; P503-I507 WeakPolarHBondContact O-CG1 3.14Å; P503-I507 PolarHBondContact O-N 3.34Å; L504-I507 PolarHBondContact O-N 3.4Å; I505-I507 VanDerWaalsContact C-N 3.26Å; I505-I507 PolarHBondContact O-N 2.83Å; I507-F509 VanDerWaalsContact C-N 3.33Å; I507-F509 PolarHBondContact O-N 2.59Å; I507-A510 PolarHBondContact O-N 3.33Å; I507-L511 HydrophobicContact CG2-CD1 3.67Å; I507-L511 HydrophobicContact CG2-CG 4.22Å; I507-L511 WeakPolarHBondContact O-CB 3.34Å; I507-L511 WeakPolarHBondContact O-CG 3.49Å; I507-L511 PolarHBondContact O-N 3.26Å
508A97.6Very high96Very high0 Ų040 Ų400%021%0.212CC..Hα-helixtrans-60-43.7177.900000112L465 F467 I481 L504 I505 L511 S512L465-A508 HydrophobicContact CD1-CB 3.72Å; L465-A508 HydrophobicContact CD2-CB 3.59Å; L465-A508 HydrophobicContact CG-CB 4.28Å; F467-A508 HydrophobicContact CE1-CB 4.18Å; F467-A508 HydrophobicContact CZ-CB 3.81Å; I481-A508 HydrophobicContact CG2-CB 3.83Å; L504-A508 PolarHBondContact O-N 3.36Å; I505-A508 WeakPolarHBondContact O-CA 3.22Å; I505-A508 VanDerWaalsContact O-CB 3.29Å; I505-A508 WeakPolarHBondContact O-CB 3.48Å; I505-A508 PolarHBondContact O-N 3.05Å; A508-L511 PolarHBondContact O-N 3.33Å; A508-S512 WeakPolarHBondContact O-CB 3.32Å; A508-S512 PolarHBondContact O-N 2.83Å; A508-S512 PolarHBondContact O-OG 2.98Å
509F97.1Very high96.2Very high34 Ų3439.3 Ų39.315%0.14922%0.216CC..Hα-helixtrans-66.3-41.2177.9-72.90.5000112.2Y398 F400 I481 I505 D506 I507 S512 E513 I514 V521Y398-F509 AromaticContact CD2-CE1 3.87Å; Y398-F509 HydrophobicContact CD2-CE1 3.87Å; Y398-F509 AromaticContact CD2-CZ 3.53Å; Y398-F509 HydrophobicContact CD2-CZ 3.53Å; Y398-F509 HydrophobicContact CE2-CE1 4.29Å; Y398-F509 HydrophobicContact CE2-CE2 4.39Å; Y398-F509 AromaticContact CE2-CZ 3.59Å; Y398-F509 HydrophobicContact CE2-CZ 3.59Å; F400-F509 HydrophobicContact CE2-CE1 4.11Å; F400-F509 HydrophobicContact CE2-CZ 4.46Å; F400-F509 AromaticContact CZ-CE1 3.81Å; F400-F509 HydrophobicContact CZ-CE1 3.81Å; F400-F509 AromaticContact CZ-CZ 3.82Å; F400-F509 HydrophobicContact CZ-CZ 3.82Å; I481-F509 HydrophobicContact CD1-CD1 3.96Å; I481-F509 HydrophobicContact CD1-CE1 3.93Å; I505-F509 HydrophobicContact CG2-CD1 4.35Å; I505-F509 HydrophobicContact CG2-CD2 4.45Å; I505-F509 HydrophobicContact CG2-CE1 4Å; I505-F509 HydrophobicContact CG2-CE2 4.11Å; I505-F509 HydrophobicContact CG2-CZ 3.9Å; I505-F509 PolarHBondContact O-N 3.47Å; D506-F509 PolarHBondContact O-N 3.46Å; I507-F509 VanDerWaalsContact C-N 3.33Å; I507-F509 PolarHBondContact O-N 2.59Å; F509-S512 PolarHBondContact O-OG 2.92Å; F509-E513 WeakPolarHBondContact O-CA 3.39Å; F509-E513 PolarHBondContact O-N 3.44Å; F509-I514 HydrophobicContact CB-CG2 4.04Å; F509-I514 HydrophobicContact CD1-CG2 3.78Å; F509-I514 HydrophobicContact CE1-CG2 4.33Å; F509-I514 HydrophobicContact CG-CG2 3.9Å; F509-I514 PolarHBondContact O-N 3.14Å; F509-V521 HydrophobicContact CE2-CB 4.3Å; F509-V521 WeakPolarHBondContact CE2-O 3.3Å; F509-V521 WeakPolarHBondContact CZ-O 3.3Å
510A96.2Very high96.2Very high74 Ų7438.6 Ų38.661%0.61221%0.205SC*.Hα-helixtrans-65.5-43.8176.500000111.9D506 I507 E513D506-A510 WeakPolarHBondContact O-CB 3.47Å; D506-A510 PolarHBondContact O-N 3.36Å; I507-A510 PolarHBondContact O-N 3.33Å; A510-E513 PolarHBondContact O-N 2.9Å
511L96.6Very high95.9Very high25 Ų2541.6 Ų41.613%0.13122%0.223CC..Hα-helixtrans-66.1-42.6-179.9-80.4172.4000113.2L415 F424 F429 I457 I507 A508 E513L415-L511 HydrophobicContact CD1-CB 4.29Å; F424-L511 HydrophobicContact CE2-CD2 3.96Å; F424-L511 HydrophobicContact CZ-CD1 4.36Å; F424-L511 HydrophobicContact CZ-CD2 4.06Å; F429-L511 HydrophobicContact CD1-CD2 4.39Å; F429-L511 HydrophobicContact CE1-CD2 3.61Å; F429-L511 HydrophobicContact CE1-CG 4.31Å; F429-L511 HydrophobicContact CE2-CD2 4.42Å; F429-L511 HydrophobicContact CZ-CD2 3.64Å; I457-L511 HydrophobicContact CD1-CD1 3.75Å; I507-L511 HydrophobicContact CG2-CD1 3.67Å; I507-L511 HydrophobicContact CG2-CG 4.22Å; I507-L511 WeakPolarHBondContact O-CB 3.34Å; I507-L511 WeakPolarHBondContact O-CG 3.49Å; I507-L511 PolarHBondContact O-N 3.26Å; A508-L511 PolarHBondContact O-N 3.33Å; L511-E513 VanDerWaalsContact C-N 3.32Å
512S96.9Very high95.8Very high3 Ų348.9 Ų48.92%0.02126%0.257CS..Hα-helixtrans-79.2-15.5179.855.20000113.3M411 A508 F509 I514M411-S512 VanDerWaalsContact CG-O 3.26Å; M411-S512 WeakPolarHBondContact CG-O 3.34Å; A508-S512 WeakPolarHBondContact O-CB 3.32Å; A508-S512 PolarHBondContact O-N 2.83Å; A508-S512 PolarHBondContact O-OG 2.98Å; F509-S512 PolarHBondContact O-OG 2.92Å; S512-I514 PolarHBondContact O-N 3.47Å; S512-I514 WeakPolarHBondContact OG-CB 3.43Å; S512-I514 PolarHBondContact OG-N 3.42Å
513E97Very high95.7Very high71 Ų7146.1 Ų46.133%0.33225%0.248SC..THydrogen-bonded Turntrans51.134.7-167.4-64.8166.7-111.300111.6K414 F509 A510 L511 K515 K516 F517K414-E513 WeakPolarHBondContact CE-OE1 3.37Å; K414-E513 IonicContact NZ-OE1 3.73Å; K414-E513 PolarHBondContact NZ-OE1 2.81Å; K414-E513 IonicContact NZ-OE2 2.7Å; K414-E513 PolarHBondContact NZ-OE2 3.08Å; F509-E513 WeakPolarHBondContact O-CA 3.39Å; F509-E513 PolarHBondContact O-N 3.44Å; A510-E513 PolarHBondContact O-N 2.9Å; L511-E513 VanDerWaalsContact C-N 3.32Å; E513-K515 VanDerWaalsContact C-N 3.25Å; E513-K515 PolarHBondContact O-N 3.05Å; E513-K516 HydrophobicContact CB-CB 4.37Å; E513-K516 VanDerWaalsContact O-CB 3.25Å; E513-K516 WeakPolarHBondContact O-CB 3.49Å; E513-K516 PolarHBondContact O-N 2.9Å; E513-F517 HydrophobicContact CB-CD2 4.26Å; E513-F517 HydrophobicContact CB-CE2 4.02Å
514I96.2Very high95.5Very high1 Ų149.4 Ų49.41%0.00527%0.268CS..Hα-helixtrans-52.2-40.5-165.7-170.8156.7000113.7F400 M411 V479 I481 F509 S512 K516 F517 V518F400-I514 HydrophobicContact CD1-CD1 4.02Å; F400-I514 HydrophobicContact CD2-CD1 3.52Å; F400-I514 HydrophobicContact CE1-CD1 3.89Å; F400-I514 HydrophobicContact CE1-CG1 4.4Å; F400-I514 HydrophobicContact CE2-CD1 3.37Å; F400-I514 HydrophobicContact CG-CD1 3.85Å; F400-I514 HydrophobicContact CZ-CD1 3.57Å; F400-I514 HydrophobicContact CZ-CG1 4.43Å; M411-I514 HydrophobicContact SD-CB 4.3Å; M411-I514 HydrophobicContact SD-CG1 4.15Å; V479-I514 HydrophobicContact CG1-CD1 4.3Å; I481-I514 HydrophobicContact CD1-CD1 3.63Å; F509-I514 HydrophobicContact CB-CG2 4.04Å; F509-I514 HydrophobicContact CD1-CG2 3.78Å; F509-I514 HydrophobicContact CE1-CG2 4.33Å; F509-I514 HydrophobicContact CG-CG2 3.9Å; F509-I514 PolarHBondContact O-N 3.14Å; S512-I514 PolarHBondContact O-N 3.47Å; S512-I514 WeakPolarHBondContact OG-CB 3.43Å; S512-I514 PolarHBondContact OG-N 3.42Å; I514-K516 PolarHBondContact O-N 3.39Å; I514-K516 VanDerWaalsContact O-N 3.16Å; I514-F517 PolarHBondContact O-N 3.41Å; I514-F517 VanDerWaalsContact O-N 3.11Å; I514-V518 HydrophobicContact CD1-CG2 4.28Å; I514-V518 HydrophobicContact CG1-CB 3.92Å; I514-V518 HydrophobicContact CG1-CG2 3.68Å; I514-V518 WeakPolarHBondContact O-CB 3.17Å; I514-V518 PolarHBondContact O-N 3.15Å
515K96.3Very high95Very high140 Ų14050.6 Ų50.661%0.60928%0.275SS*.Hα-helixtrans-56-35.9178.3-170.1177.7-177.8174.10112.8E513 G519 V521E513-K515 VanDerWaalsContact C-N 3.25Å; E513-K515 PolarHBondContact O-N 3.05Å; K515-G519 CarbonylContact O-C 3.45Å; K515-G519 WeakPolarHBondContact O-CA 3.42Å; K515-G519 PolarHBondContact O-N 2.64Å; K515-V521 HydrophobicContact CB-CG1 3.67Å; K515-V521 HydrophobicContact CD-CG1 3.84Å; K515-V521 HydrophobicContact CG-CG1 3.87Å
516K97Very high94.7Very high132 Ų13253.2 Ų53.257%0.57429%0.292SS*.Hα-helixtrans-68.3-40.5-179.1178.6-174.5167.9-170.30111.5E513 I514E513-K516 HydrophobicContact CB-CB 4.37Å; E513-K516 VanDerWaalsContact O-CB 3.25Å; E513-K516 WeakPolarHBondContact O-CB 3.49Å; E513-K516 PolarHBondContact O-N 2.9Å; I514-K516 PolarHBondContact O-N 3.39Å; I514-K516 VanDerWaalsContact O-N 3.16Å
517F96.1Very high94.2Very high21 Ų2152.5 Ų52.59%0.09229%0.289CS..Hα-helixtrans-93.2-38.9-172.5-66.4-78.1000112.9A407 E410 M411 K414 E513 I514A407-F517 WeakPolarHBondContact CB-O 3.27Å; A407-F517 WeakPolarHBondContact O-CD1 3.41Å; E410-F517 HydrophobicContact CB-CD1 4.35Å; E410-F517 HydrophobicContact CB-CE1 4.07Å; E410-F517 HydrophobicContact CG-CE1 3.81Å; M411-F517 HydrophobicContact CB-CB 3.74Å; M411-F517 HydrophobicContact CB-CD1 4.08Å; M411-F517 HydrophobicContact CB-CD2 3.66Å; M411-F517 HydrophobicContact CB-CE2 4.22Å; M411-F517 HydrophobicContact CB-CG 3.56Å; M411-F517 HydrophobicContact CG-CB 4.07Å; M411-F517 HydrophobicContact CG-CD2 3.55Å; M411-F517 HydrophobicContact CG-CE2 4.16Å; M411-F517 HydrophobicContact CG-CG 3.93Å; M411-F517 HydrophobicContact SD-CB 4.35Å; K414-F517 HydrophobicContact CD-CE2 4.44Å; K414-F517 HydrophobicContact CD-CZ 4.11Å; E513-F517 HydrophobicContact CB-CD2 4.26Å; E513-F517 HydrophobicContact CB-CE2 4.02Å; I514-F517 PolarHBondContact O-N 3.41Å; I514-F517 VanDerWaalsContact O-N 3.11Å
518V94.1Very high94Very high21 Ų2154.8 Ų54.813%0.12730%0.302CS..Hα-helixtrans-93.1-15.4-178.3175.60000111.9F400 C403 M411 I514 R520F400-V518 HydrophobicContact CB-CG1 4.14Å; F400-V518 HydrophobicContact CD1-CG1 3.85Å; F400-V518 HydrophobicContact CG-CG1 4.34Å; C403-V518 HydrophobicContact CB-CG1 4.41Å; C403-V518 WeakPolarHBondContact SG-CG1 3.38Å; M411-V518 HydrophobicContact SD-CG2 4.46Å; I514-V518 HydrophobicContact CD1-CG2 4.28Å; I514-V518 HydrophobicContact CG1-CB 3.92Å; I514-V518 HydrophobicContact CG1-CG2 3.68Å; I514-V518 WeakPolarHBondContact O-CB 3.17Å; I514-V518 PolarHBondContact O-N 3.15Å; V518-R520 VanDerWaalsContact C-N 3.26Å; V518-R520 HydrophobicContact CG1-CG 3.83Å; V518-R520 PolarHBondContact O-N 2.82Å
519G93.6Very high93.8Very high61 Ų6157.6 Ų57.663%0.62932%0.318SS*.SBendtrans81.3-4.7178.300000115.1K515K515-G519 CarbonylContact O-C 3.45Å; K515-G519 WeakPolarHBondContact O-CA 3.42Å; K515-G519 PolarHBondContact O-N 2.64Å
520R93.5Very high93.6Very high69 Ų6958.9 Ų58.926%0.2633%0.327SS..  trans-145.4162.7-178.156.1-179.7176.7116-7.4112.1F400 E401 V518 E522 T524F400-R520 HydrophobicContact CD1-CG 4.34Å; E401-R520 VanDerWaalsContact N-NH2 3.16Å; E401-R520 PolarHBondContact O-NH2 2.84Å; V518-R520 VanDerWaalsContact C-N 3.26Å; V518-R520 HydrophobicContact CG1-CG 3.83Å; V518-R520 PolarHBondContact O-N 2.82Å; R520-E522 PolarHBondContact NH1-O 3.36Å; R520-T524 PolarHBondContact NH1-OG1 2.86Å; R520-T524 VanDerWaalsContact NH1-OG1 3.1Å; R520-T524 PolarHBondContact NH2-OG1 3.34Å
521V89.9Confident93.5Very high66 Ų6658.1 Ų58.140%0.431%0.31SS..SBendtrans-113.1-18.2173.5-67.10000112.8F509 K515F509-V521 HydrophobicContact CE2-CB 4.3Å; F509-V521 WeakPolarHBondContact CE2-O 3.3Å; F509-V521 WeakPolarHBondContact CZ-O 3.3Å; K515-V521 HydrophobicContact CB-CG1 3.67Å; K515-V521 HydrophobicContact CD-CG1 3.84Å; K515-V521 HydrophobicContact CG-CG1 3.87Å
522E93.4Very high93.3Very high153 Ų15360.1 Ų60.172%0.71532%0.321SS*.SBendtrans-81121.5174-70.1177.8177.500108.5R520R520-E522 PolarHBondContact NH1-O 3.36Å
523P93.2Very high93.1Very high28 Ų2863.9 Ų63.918%0.18234%0.341CS..  trans-67.6159.3173.732.9-37.9000110.4Y398 F400 V526Y398-P523 HydrophobicContact CD1-CG 4.31Å; Y398-P523 HydrophobicContact CD2-CB 3.95Å; Y398-P523 HydrophobicContact CD2-CG 3.55Å; Y398-P523 HydrophobicContact CE2-CG 3.85Å; Y398-P523 HydrophobicContact CG-CB 4.01Å; Y398-P523 HydrophobicContact CG-CG 3.81Å; F400-P523 HydrophobicContact CD2-CB 4.34Å; F400-P523 HydrophobicContact CE1-CB 4.26Å; F400-P523 HydrophobicContact CE2-CB 4.02Å; F400-P523 HydrophobicContact CZ-CB 3.98Å; P523-V526 HydrophobicContact CB-CG2 4.37Å; P523-V526 HydrophobicContact CG-CG2 3.36Å
524T91.6Very high92.8Very high68 Ų6863.4 Ų63.442%0.41734%0.342SS..SBendtrans-72.1-43.3173.8-49.60000109.9D399 E401 R520D399-T524 WeakPolarHBondContact O-CA 3.41Å; D399-T524 WeakPolarHBondContact O-CB 3.28Å; D399-T524 PolarHBondContact O-N 3.35Å; E401-T524 HydrophobicContact CB-CG2 4.16Å; E401-T524 HydrophobicContact CG-CG2 4.27Å; E401-T524 PolarHBondContact N-OG1 3.35Å; E401-T524 VanDerWaalsContact N-OG1 3.1Å; R520-T524 PolarHBondContact NH1-OG1 2.86Å; R520-T524 VanDerWaalsContact NH1-OG1 3.1Å; R520-T524 PolarHBondContact NH2-OG1 3.34Å
525V88.3Confident92.5Very high26 Ų2668.2 Ų68.216%0.15837%0.368CS..EExtended strand (participates in β ladder)trans-130.8142.5-179.5-177.80000109.4D399D399-V525 HydrophobicContact CB-CB 4.2Å; D399-V525 PolarHBondContact N-O 3.21Å; D399-V525 PolarHBondContact O-N 3.33Å
526V89.2Confident92.2Very high63 Ų6362.3 Ų62.338%0.38235%0.348SS..EExtended strand (participates in β ladder)trans-123.8127.1171.3179.90000108.2I396 R397 Y398 P523I396-V526 HydrophobicContact CG2-CG1 4.14Å; R397-V526 WeakPolarHBondContact O-CA 3.48Å; Y398-V526 HydrophobicContact CD1-CB 4.41Å; Y398-V526 HydrophobicContact CD1-CG1 3.94Å; Y398-V526 HydrophobicContact CD1-CG2 3.94Å; Y398-V526 HydrophobicContact CE1-CB 4.31Å; Y398-V526 HydrophobicContact CE1-CG1 3.59Å; Y398-V526 HydrophobicContact CE1-CG2 3.78Å; P523-V526 HydrophobicContact CB-CG2 4.37Å; P523-V526 HydrophobicContact CG-CG2 3.36Å
527T86.8Confident91.8Very high39 Ų3955.9 Ų55.924%0.23933%0.327CS..  trans-117.80175.9-470000111.3I396 R397I396-T527 CarbonylContact C-O 3.57Å; I396-T527 WeakPolarHBondContact CA-O 3.44Å; R397-T527 PolarHBondContact N-O 3.05Å; R397-T527 PolarHBondContact O-N 2.83Å

Retrieved 527 of 527 residues in 349 ms (Link to these results)

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