A0A3Q0KJ63_SCHMA Loading...

histone deacetylase

AlphaFold DB , UniProt , Accession A0A3Q0KJ63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 440 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
1M77.4Confident96.5Very high154 Ų15450.1 Ų50.176%0.75926%0.257SS*.  0133.10-69.4-174.1-104.700108.9E131 V361M1-E131 VanDerWaalsContact C-OE2 3.23Å; M1-E131 WeakPolarHBondContact CA-OE2 3.24Å; M1-E131 WeakPolarHBondContact CB-OE2 3.45Å; M1-E131 VanDerWaalsContact CG-OE1 3.28Å; M1-E131 WeakPolarHBondContact CG-OE1 3.47Å; M1-E131 WeakPolarHBondContact CG-OE2 3.46Å; M1-V361 HydrophobicContact CB-CG1 4.18Å
2S95.7Very high96.7Very high33 Ų3351.3 Ų51.323%0.23126%0.256CS..  trans-130.7130.5-168-179.20000112.2H129 E131 V132S2-H129 WeakPolarHBondContact CB-O 3.38Å; S2-H129 PolarHBondContact OG-O 3.39Å; S2-E131 PolarHBondContact N-OE2 3.03Å; S2-E131 PolarHBondContact O-N 3.12Å; S2-V132 PolarHBondContact O-N 2.95Å
3V98.8Very high96.9Very high1 Ų158.8 Ų58.81%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-106.8115.3171-177.20000107.6L41 S42 V132 I134 T357 V361V3-L41 HydrophobicContact CB-CD2 3.87Å; V3-L41 HydrophobicContact CG1-CD2 3.51Å; V3-L41 CarbonylContact O-C 3.4Å; V3-L41 WeakPolarHBondContact O-CA 3.27Å; V3-S42 PolarHBondContact O-N 3.15Å; V3-V132 CarbonylContact C-O 3.59Å; V3-V132 WeakPolarHBondContact CA-O 3.36Å; V3-I134 HydrophobicContact CG1-CD1 4.18Å; V3-T357 HydrophobicContact CG1-CG2 3.7Å; V3-T357 HydrophobicContact CG2-CG2 4.12Å; V3-V361 HydrophobicContact CG2-CB 3.59Å; V3-V361 HydrophobicContact CG2-CG1 3.69Å; V3-V361 HydrophobicContact CG2-CG2 3.96Å
4G98.8Very high97Very high0 Ų056.5 Ų56.50%028%0.279CS..EExtended strand (participates in β ladder)trans-87.4152.2174.800000112.2S42 V132 V133 I134G4-S42 CarbonylContact C-O 3.49Å; G4-S42 WeakPolarHBondContact CA-O 3.32Å; G4-V132 PolarHBondContact N-O 3.34Å; G4-V133 CarbonylContact O-C 3.57Å; G4-V133 WeakPolarHBondContact O-CA 3.41Å; G4-I134 PolarHBondContact O-N 2.82Å
5I98.9Very high97.1Very high1 Ų153.2 Ų53.21%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-139.7133.9168-168.6164.8000110.1Y7 M29 I32 L41 S42 V44 I134I5-Y7 HydrophobicContact CG2-CD1 3.78Å; I5-Y7 HydrophobicContact CG2-CE1 3.82Å; I5-Y7 PolarHBondContact O-N 3.46Å; I5-M29 HydrophobicContact CD1-CE 3.89Å; I5-M29 HydrophobicContact CD1-SD 3.98Å; I5-M29 HydrophobicContact CG1-CE 4.29Å; I5-I32 HydrophobicContact CD1-CD1 4.12Å; I5-L41 HydrophobicContact CB-CB 4.49Å; I5-L41 HydrophobicContact CB-CD1 4.25Å; I5-L41 HydrophobicContact CD1-CD1 4.14Å; I5-L41 HydrophobicContact CG2-CB 3.69Å; I5-L41 HydrophobicContact CG2-CD1 3.76Å; I5-L41 HydrophobicContact CG2-CG 4.23Å; I5-S42 PolarHBondContact N-O 3.42Å; I5-V44 PolarHBondContact O-N 3.47Å; I5-I134 CarbonylContact C-O 3.54Å; I5-I134 WeakPolarHBondContact CA-O 3.34Å; I5-I134 HydrophobicContact CB-CB 4.37Å; I5-I134 HydrophobicContact CD1-CB 4.36Å; I5-I134 HydrophobicContact CD1-CG2 4.18Å; I5-I134 HydrophobicContact CG1-CB 4.03Å; I5-I134 HydrophobicContact CG1-CG2 4.19Å
6V98.9Very high97.2Very high0 Ų051.9 Ų51.90%026%0.261CS..EExtended strand (participates in β ladder)trans-79.2119.5-179.8179.90000109.7Y11 Y25 V44 P46 A121 V133 I134 N135V6-Y11 HydrophobicContact CG1-CD1 4.12Å; V6-Y11 HydrophobicContact CG1-CE1 3.73Å; V6-Y11 HydrophobicContact CG1-CE2 4.42Å; V6-Y25 PolarHBondContact O-OH 2.94Å; V6-Y25 VanDerWaalsContact O-OH 3.1Å; V6-V44 WeakPolarHBondContact CA-O 3.34Å; V6-V44 HydrophobicContact CG2-CB 4.09Å; V6-V44 HydrophobicContact CG2-CG1 4.19Å; V6-P46 HydrophobicContact CG1-CG 3.99Å; V6-A121 HydrophobicContact CG2-CB 4.07Å; V6-V133 HydrophobicContact CG2-CG1 4.22Å; V6-I134 PolarHBondContact N-O 2.93Å; V6-N135 HydrophobicContact CB-CB 4.11Å; V6-N135 HydrophobicContact CG2-CB 3.88Å
7Y98.9Very high97.3Very high65 Ų6551.3 Ų51.326%0.25526%0.263SS..  trans-162.5160.2167.971-79000112.9I5 Y25 M29 I38 R43I5-Y7 HydrophobicContact CG2-CD1 3.78Å; I5-Y7 HydrophobicContact CG2-CE1 3.82Å; I5-Y7 PolarHBondContact O-N 3.46Å; Y7-Y25 WeakPolarHBondContact CB-OH 3.36Å; Y7-M29 HydrophobicContact CD1-CE 4.12Å; Y7-M29 HydrophobicContact CG-CE 4.03Å; Y7-I38 HydrophobicContact CE1-CD1 4.47Å; Y7-R43 HydrophobicContact CD1-CB 4.25Å; Y7-R43 HydrophobicContact CD1-CG 3.69Å; Y7-R43 HydrophobicContact CD2-CG 4.39Å; Y7-R43 HydrophobicContact CE1-CB 3.47Å; Y7-R43 VanDerWaalsContact CE1-CB 3.47Å; Y7-R43 HydrophobicContact CE1-CG 3.35Å; Y7-R43 HydrophobicContact CE2-CG 4.09Å; Y7-R43 HydrophobicContact CG-CG 4.21Å; Y7-R43 VanDerWaalsContact CZ-CD 3.42Å
8G98.6Very high97.4Very high16 Ų1648.8 Ų48.817%0.16525%0.25CS..  trans179.2165.2173.900000110.2Y11 R12G8-Y11 WeakPolarHBondContact O-CB 3.31Å; G8-Y11 PolarHBondContact O-N 3.35Å; G8-R12 WeakPolarHBondContact O-CB 3.31Å; G8-R12 PolarHBondContact O-N 3.05Å
9D98.6Very high97.4Very high150 Ų15051.2 Ų51.280%0.80227%0.269SS*.Hα-helixtrans-63.1-51.4-171.6-58.2-30.3000112.3Y11 R12 Q13D9-Y11 VanDerWaalsContact C-N 3.29Å; D9-Y11 PolarHBondContact O-N 3.07Å; D9-R12 PolarHBondContact O-N 3.39Å; D9-Q13 PolarHBondContact O-N 3.28Å
10Q98.6Very high97.5Very high123 Ų12352.9 Ų52.958%0.57527%0.274SS*.Hα-helixtrans-62.9-37.5175.8-172.217915.600111.6Q13 L14Q10-Q13 PolarHBondContact O-N 3.24Å; Q10-L14 HydrophobicContact CG-CD1 4.27Å; Q10-L14 WeakPolarHBondContact O-CG 3.45Å; Q10-L14 PolarHBondContact O-N 2.94Å
11Y98.9Very high97.5Very high8 Ų850.7 Ų50.73%0.03126%0.263CS..Hα-helixtrans-61.3-46.9177.1-169.5-111.7000111.6V6 G8 D9 Q13 L14 C15 Y25 P46 A113 N135 G137V6-Y11 HydrophobicContact CG1-CD1 4.12Å; V6-Y11 HydrophobicContact CG1-CE1 3.73Å; V6-Y11 HydrophobicContact CG1-CE2 4.42Å; G8-Y11 WeakPolarHBondContact O-CB 3.31Å; G8-Y11 PolarHBondContact O-N 3.35Å; D9-Y11 VanDerWaalsContact C-N 3.29Å; D9-Y11 PolarHBondContact O-N 3.07Å; Y11-Q13 VanDerWaalsContact C-N 3.35Å; Y11-Q13 PolarHBondContact O-N 2.72Å; Y11-L14 PolarHBondContact O-N 3.21Å; Y11-C15 WeakPolarHBondContact O-CB 3.49Å; Y11-C15 PolarHBondContact O-N 3.38Å; Y11-C15 PolarHBondContact O-SG 3.25Å; Y11-C15 VanDerWaalsContact O-SG 3.4Å; Y11-Y25 HydrophobicContact CD1-CE1 4.35Å; Y11-Y25 HydrophobicContact CD1-CE2 4.44Å; Y11-Y25 AromaticContact CD1-CZ 3.82Å; Y11-Y25 WeakPolarHBondContact CD1-OH 3.48Å; Y11-Y25 AromaticContact CE1-CE2 3.96Å; Y11-Y25 HydrophobicContact CE1-CE2 3.96Å; Y11-Y25 AromaticContact CE1-CZ 3.8Å; Y11-P46 HydrophobicContact CD1-CG 4.36Å; Y11-P46 HydrophobicContact CD2-CB 3.99Å; Y11-P46 HydrophobicContact CD2-CG 3.38Å; Y11-P46 HydrophobicContact CE2-CB 4.45Å; Y11-P46 HydrophobicContact CE2-CG 4.09Å; Y11-P46 HydrophobicContact CG-CG 3.56Å; Y11-A113 HydrophobicContact CD2-CB 4.13Å; Y11-A113 HydrophobicContact CE2-CB 3.98Å; Y11-A113 VanDerWaalsContact CE2-O 3.26Å; Y11-A113 WeakPolarHBondContact CE2-O 3.46Å; Y11-N135 PolarHBondContact OH-ND2 2.86Å; Y11-N135 PolarHBondContact OH-OD1 3.38Å; Y11-G137 WeakPolarHBondContact OH-CA 3.33Å
12R98.8Very high98.5Very high65 Ų6544.6 Ų44.625%0.24524%0.24CC..Hα-helixtrans-60-45.9176-179.2-171.9178.3105.9-15.2111.1G8 D9 L14 C15 C16 Y25 A26 D30G8-R12 WeakPolarHBondContact O-CB 3.31Å; G8-R12 PolarHBondContact O-N 3.05Å; D9-R12 PolarHBondContact O-N 3.39Å; R12-L14 VanDerWaalsContact C-N 3.33Å; R12-L14 PolarHBondContact O-N 2.99Å; R12-C15 PolarHBondContact O-N 3.2Å; R12-C16 WeakPolarHBondContact O-CB 3.11Å; R12-C16 PolarHBondContact O-N 3.28Å; R12-C16 PolarHBondContact O-SG 2.83Å; R12-Y25 HydrophobicContact CB-CD1 4.31Å; R12-Y25 HydrophobicContact CB-CE1 3.91Å; R12-Y25 HydrophobicContact CG-CD1 4.05Å; R12-Y25 HydrophobicContact CG-CE1 4.04Å; R12-A26 PolarHBondContact NH1-O 3.19Å; R12-D30 IonicContact CZ-OD1 2.73Å; R12-D30 VanDerWaalsContact CZ-OD1 3.25Å; R12-D30 IonicContact CZ-OD2 3.05Å; R12-D30 IonicContact NH1-OD1 3.7Å; R12-D30 PolarHBondContact NH1-OD1 3.47Å; R12-D30 IonicContact NH1-OD2 3.25Å; R12-D30 IonicContact NH2-OD1 3.59Å; R12-D30 PolarHBondContact NH2-OD1 3.34Å; R12-D30 IonicContact NH2-OD2 3.91Å; R12-D30 PolarHBondContact NH2-OD2 3.05Å
13Q98.7Very high98.7Very high149 Ų14945.1 Ų45.170%0.69624%0.24SC*.Hα-helixtrans-59-45.5179.2-175.4179.7-9.800111.4D9 Q10 Y11 C16 S17D9-Q13 PolarHBondContact O-N 3.28Å; Q10-Q13 PolarHBondContact O-N 3.24Å; Y11-Q13 VanDerWaalsContact C-N 3.35Å; Y11-Q13 PolarHBondContact O-N 2.72Å; Q13-C16 PolarHBondContact O-N 3.49Å; Q13-S17 PolarHBondContact O-N 3.38Å
14L98.8Very high98.7Very high26 Ų2645.4 Ų45.414%0.13624%0.241CC..Hα-helixtrans-68.1-48.6177.7-67.4175.9000111.6Q10 Y11 R12 C16 S17 D109 Y110 A113Q10-L14 HydrophobicContact CG-CD1 4.27Å; Q10-L14 WeakPolarHBondContact O-CG 3.45Å; Q10-L14 PolarHBondContact O-N 2.94Å; Y11-L14 PolarHBondContact O-N 3.21Å; R12-L14 VanDerWaalsContact C-N 3.33Å; R12-L14 PolarHBondContact O-N 2.99Å; L14-C16 PolarHBondContact O-N 2.94Å; L14-S17 WeakPolarHBondContact O-CB 3.39Å; L14-S17 PolarHBondContact O-N 3.31Å; L14-S17 PolarHBondContact O-OG 3.16Å; L14-D109 HydrophobicContact CD2-CB 3.74Å; L14-Y110 WeakPolarHBondContact O-CD2 3.5Å; L14-A113 HydrophobicContact CB-CB 3.84Å; L14-A113 HydrophobicContact CD1-CB 3.98Å
15C98.7Very high98.7Very high7 Ų745.9 Ų45.95%0.04724%0.243CC..Hα-helixtrans-60.6-20.5178-71.20000113.8Y11 R12 Y25Y11-C15 WeakPolarHBondContact O-CB 3.49Å; Y11-C15 PolarHBondContact O-N 3.38Å; Y11-C15 PolarHBondContact O-SG 3.25Å; Y11-C15 VanDerWaalsContact O-SG 3.4Å; R12-C15 PolarHBondContact O-N 3.2Å; C15-Y25 HydrophobicContact CB-CD1 3.8Å; C15-Y25 HydrophobicContact CB-CD2 4.14Å; C15-Y25 HydrophobicContact CB-CE1 4.4Å; C15-Y25 HydrophobicContact CB-CG 3.67Å
16C98.8Very high98.7Very high33 Ų3345.9 Ų45.922%0.22324%0.243CC..THydrogen-bonded Turntrans-99.69176.9-55.60000114.4R12 Q13 L14 G22R12-C16 WeakPolarHBondContact O-CB 3.11Å; R12-C16 PolarHBondContact O-N 3.28Å; R12-C16 PolarHBondContact O-SG 2.83Å; Q13-C16 PolarHBondContact O-N 3.49Å; L14-C16 PolarHBondContact O-N 2.94Å; C16-G22 CarbonylContact C-O 3.55Å; C16-G22 WeakPolarHBondContact CA-O 3.5Å; C16-G22 WeakPolarHBondContact CB-O 3.05Å
17S98.7Very high98.6Very high41 Ų4145.9 Ų45.929%0.28724%0.243SC..  trans-95.3-5.7-173.774.90000114.6Q13 L14 S106Q13-S17 PolarHBondContact O-N 3.38Å; L14-S17 WeakPolarHBondContact O-CB 3.39Å; L14-S17 PolarHBondContact O-N 3.31Å; L14-S17 PolarHBondContact O-OG 3.16Å; S17-S106 WeakPolarHBondContact CB-OG 3.29Å; S17-S106 WeakPolarHBondContact OG-CB 3.35Å; S17-S106 PolarHBondContact OG-OG 3.45Å
18S98.6Very high98.7Very high6 Ų642.8 Ų42.84%0.04223%0.231CC..  trans-82143.9178.973.40000112.1K20 F21 G22 Y110S18-K20 PolarHBondContact O-N 3.46Å; S18-F21 PolarHBondContact OG-N 3.45Å; S18-G22 PolarHBondContact O-N 3.5Å; S18-Y110 VanDerWaalsContact CB-CE2 3.47Å; S18-Y110 WeakPolarHBondContact OG-CE2 3.44Å
19P98.1Very high98.7Very high94 Ų9442.5 Ų42.561%0.6123%0.226SC*.THydrogen-bonded Turntrans-66.6-28.1177.927-34.6000112.4F104P19-F104 HydrophobicContact CG-CB 4.49Å; P19-F104 HydrophobicContact CG-CD1 4Å; P19-F104 HydrophobicContact CG-CE1 4.45Å; P19-F104 HydrophobicContact CG-CG 4.28Å
20K98.2Very high98.7Very high85 Ų8536.8 Ų36.837%0.3720%0.195SC..THydrogen-bonded Turntrans-77.8-43.7-176.1-176.765178.2-170.20113.1S18 F151 Y341S18-K20 PolarHBondContact O-N 3.46Å; K20-F151 HydrophobicContact CB-CD1 4.25Å; K20-F151 HydrophobicContact CD-CD1 3.9Å; K20-F151 HydrophobicContact CD-CD2 4.47Å; K20-F151 HydrophobicContact CD-CE1 3.77Å; K20-F151 HydrophobicContact CD-CE2 4.34Å; K20-F151 HydrophobicContact CD-CG 4.29Å; K20-F151 HydrophobicContact CD-CZ 4.02Å; K20-F151 HydrophobicContact CG-CB 4.41Å; K20-F151 HydrophobicContact CG-CD1 3.76Å; K20-F151 HydrophobicContact CG-CD2 4.33Å; K20-F151 HydrophobicContact CG-CE1 4.18Å; K20-F151 HydrophobicContact CG-CG 3.89Å; K20-Y341 HydrophobicContact CD-CE1 4.41Å; K20-Y341 HydrophobicContact CG-CE1 4.44Å
21F98.5Very high98.7Very high7 Ų730.9 Ų30.93%0.03117%0.167CC..THydrogen-bonded Turntrans-103.8-10.2-173.1-63-75.6000113.7S18 D23 R24 Y110 W140 F151 Y341 F343S18-F21 PolarHBondContact OG-N 3.45Å; F21-D23 PolarHBondContact O-N 3.02Å; F21-R24 WeakPolarHBondContact O-CB 3.26Å; F21-R24 PolarHBondContact O-N 2.98Å; F21-Y110 VanDerWaalsContact CD2-OH 3.22Å; F21-Y110 WeakPolarHBondContact CD2-OH 3.34Å; F21-W140 HydrophobicContact CD1-CH2 4.34Å; F21-W140 AromaticContact CD2-CH2 3.64Å; F21-W140 HydrophobicContact CD2-CH2 3.64Å; F21-W140 HydrophobicContact CD2-CZ3 4.16Å; F21-W140 HydrophobicContact CE1-CH2 4.1Å; F21-W140 HydrophobicContact CE1-CZ3 4.14Å; F21-W140 HydrophobicContact CE2-CE3 4.46Å; F21-W140 AromaticContact CE2-CH2 3.36Å; F21-W140 HydrophobicContact CE2-CH2 3.36Å; F21-W140 HydrophobicContact CE2-CZ2 4.45Å; F21-W140 AromaticContact CE2-CZ3 3.38Å; F21-W140 HydrophobicContact CE2-CZ3 3.38Å; F21-W140 HydrophobicContact CG-CH2 4.12Å; F21-W140 AromaticContact CZ-CH2 3.61Å; F21-W140 HydrophobicContact CZ-CH2 3.61Å; F21-W140 AromaticContact CZ-CZ3 3.37Å; F21-W140 HydrophobicContact CZ-CZ3 3.37Å; F21-F151 HydrophobicContact CE2-CB 4.05Å; F21-F151 HydrophobicContact CZ-CB 4.4Å; F21-Y341 HydrophobicContact CE1-CD1 4.27Å; F21-Y341 AromaticContact CE1-CE1 3.79Å; F21-Y341 HydrophobicContact CE1-CE1 3.79Å; F21-Y341 HydrophobicContact CZ-CE1 4.07Å; F21-F343 WeakPolarHBondContact O-CE2 3.33Å; F21-F343 WeakPolarHBondContact O-CZ 3.48Å
22G98.4Very high98.7Very high27 Ų2730.5 Ų30.528%0.27817%0.166SC..THydrogen-bonded Turntrans46.3-126.9170.500000112.6C16 S18C16-G22 CarbonylContact C-O 3.55Å; C16-G22 WeakPolarHBondContact CA-O 3.5Å; C16-G22 WeakPolarHBondContact CB-O 3.05Å; S18-G22 PolarHBondContact O-N 3.5Å
23D98.7Very high98.7Very high44 Ų4431.3 Ų31.324%0.23518%0.175CC..THydrogen-bonded Turntrans-91.315.2179.767.2-9.4000114.7F21 Y25 A26 L27 Y377 R380F21-D23 PolarHBondContact O-N 3.02Å; D23-Y25 VanDerWaalsContact C-N 3.32Å; D23-Y25 PolarHBondContact O-N 2.96Å; D23-A26 HydrophobicContact CB-CB 4.3Å; D23-A26 WeakPolarHBondContact O-CA 3.47Å; D23-A26 WeakPolarHBondContact O-CB 3.37Å; D23-A26 PolarHBondContact O-N 3.24Å; D23-L27 HydrophobicContact CB-CD1 4.17Å; D23-L27 VanDerWaalsContact CG-CD1 3.5Å; D23-L27 WeakPolarHBondContact O-CD1 3.41Å; D23-L27 PolarHBondContact O-N 3.37Å; D23-L27 WeakPolarHBondContact OD2-CD1 3.07Å; D23-Y377 WeakPolarHBondContact OD2-CE1 3.43Å; D23-R380 IonicContact OD1-CZ 3.54Å; D23-R380 IonicContact OD1-NH1 2.73Å; D23-R380 PolarHBondContact OD1-NH1 2.98Å; D23-R380 IonicContact OD1-NH2 2.68Å; D23-R380 IonicContact OD2-NH1 3.78Å; D23-R380 PolarHBondContact OD2-NH1 2.91Å
24R98.8Very high98.7Very high7 Ų724.5 Ų24.53%0.02614%0.144CC..Hα-helixtrans-52.3-47.8-178.2-173.3-177.774.8160.63.2112.5F21 A26 L27 V28 G338 G339 G340 F343 T346F21-R24 WeakPolarHBondContact O-CB 3.26Å; F21-R24 PolarHBondContact O-N 2.98Å; R24-A26 VanDerWaalsContact C-N 3.29Å; R24-A26 PolarHBondContact O-N 3.4Å; R24-L27 PolarHBondContact O-N 3.15Å; R24-V28 VanDerWaalsContact O-CG2 3.24Å; R24-V28 WeakPolarHBondContact O-CG2 3.3Å; R24-V28 PolarHBondContact O-N 2.93Å; R24-G338 PolarHBondContact NH1-O 3.29Å; R24-G338 PolarHBondContact NH2-O 2.87Å; R24-G339 PolarHBondContact NH1-O 3.36Å; R24-G340 WeakPolarHBondContact CD-O 3.44Å; R24-G340 PolarHBondContact NH1-O 3.34Å; R24-F343 HydrophobicContact CB-CB 4.12Å; R24-F343 HydrophobicContact CB-CD1 3.76Å; R24-F343 HydrophobicContact CB-CD2 3.91Å; R24-F343 HydrophobicContact CB-CE1 4.12Å; R24-F343 HydrophobicContact CB-CE2 4.25Å; R24-F343 HydrophobicContact CB-CG 3.66Å; R24-F343 HydrophobicContact CB-CZ 4.36Å; R24-F343 HydrophobicContact CG-CB 3.97Å; R24-F343 HydrophobicContact CG-CD1 3.71Å; R24-F343 HydrophobicContact CG-CE1 4.37Å; R24-F343 HydrophobicContact CG-CG 3.84Å; R24-T346 HydrophobicContact CG-CG2 4.38Å
25Y98.9Very high98.7Very high9 Ų924.2 Ų24.24%0.03514%0.141CC..Hα-helixtrans-63-37179.1177.4-92.3000112.2V6 Y7 Y11 R12 C15 D23 V28 M29 W136V6-Y25 PolarHBondContact O-OH 2.94Å; V6-Y25 VanDerWaalsContact O-OH 3.1Å; Y7-Y25 WeakPolarHBondContact CB-OH 3.36Å; Y11-Y25 HydrophobicContact CD1-CE1 4.35Å; Y11-Y25 HydrophobicContact CD1-CE2 4.44Å; Y11-Y25 AromaticContact CD1-CZ 3.82Å; Y11-Y25 WeakPolarHBondContact CD1-OH 3.48Å; Y11-Y25 AromaticContact CE1-CE2 3.96Å; Y11-Y25 HydrophobicContact CE1-CE2 3.96Å; Y11-Y25 AromaticContact CE1-CZ 3.8Å; R12-Y25 HydrophobicContact CB-CD1 4.31Å; R12-Y25 HydrophobicContact CB-CE1 3.91Å; R12-Y25 HydrophobicContact CG-CD1 4.05Å; R12-Y25 HydrophobicContact CG-CE1 4.04Å; C15-Y25 HydrophobicContact CB-CD1 3.8Å; C15-Y25 HydrophobicContact CB-CD2 4.14Å; C15-Y25 HydrophobicContact CB-CE1 4.4Å; C15-Y25 HydrophobicContact CB-CG 3.67Å; D23-Y25 VanDerWaalsContact C-N 3.32Å; D23-Y25 PolarHBondContact O-N 2.96Å; Y25-V28 PolarHBondContact O-N 2.66Å; Y25-M29 HydrophobicContact CD1-CG 4.26Å; Y25-M29 HydrophobicContact CD2-CG 4.41Å; Y25-M29 HydrophobicContact CE1-CG 3.68Å; Y25-M29 HydrophobicContact CE2-CG 3.87Å; Y25-M29 HydrophobicContact CE2-SD 4.33Å; Y25-M29 VanDerWaalsContact CZ-CG 3.46Å; Y25-M29 WeakPolarHBondContact O-CG 3.47Å; Y25-M29 PolarHBondContact O-N 3.09Å; Y25-W136 HydrophobicContact CD2-CB 4.44Å; Y25-W136 HydrophobicContact CE2-CB 4.38Å
26A98.9Very high98.7Very high2 Ų230.9 Ų30.92%0.01717%0.17CC..Hα-helixtrans-64.9-45.3176.500000112R12 D23 R24 V28 M29 D30 Y377R12-A26 PolarHBondContact NH1-O 3.19Å; D23-A26 HydrophobicContact CB-CB 4.3Å; D23-A26 WeakPolarHBondContact O-CA 3.47Å; D23-A26 WeakPolarHBondContact O-CB 3.37Å; D23-A26 PolarHBondContact O-N 3.24Å; R24-A26 VanDerWaalsContact C-N 3.29Å; R24-A26 PolarHBondContact O-N 3.4Å; A26-V28 VanDerWaalsContact C-N 3.35Å; A26-V28 PolarHBondContact O-N 3.42Å; A26-M29 PolarHBondContact O-N 2.96Å; A26-D30 VanDerWaalsContact O-CB 3.26Å; A26-D30 WeakPolarHBondContact O-CB 3.41Å; A26-D30 VanDerWaalsContact O-CG 3.28Å; A26-D30 PolarHBondContact O-N 2.99Å; A26-Y377 HydrophobicContact CB-CE2 3.98Å; A26-Y377 WeakPolarHBondContact CB-OH 3.41Å
27L98.8Very high98.7Very high0 Ų029.5 Ų29.50%016%0.16CC..Hα-helixtrans-57.9-46.8174.5-91.967.5000111.5D23 R24 L31 F343 P344 A347 Y377 R380D23-L27 HydrophobicContact CB-CD1 4.17Å; D23-L27 VanDerWaalsContact CG-CD1 3.5Å; D23-L27 WeakPolarHBondContact O-CD1 3.41Å; D23-L27 PolarHBondContact O-N 3.37Å; D23-L27 WeakPolarHBondContact OD2-CD1 3.07Å; R24-L27 PolarHBondContact O-N 3.15Å; L27-L31 VanDerWaalsContact O-CB 3.31Å; L27-L31 WeakPolarHBondContact O-CB 3.37Å; L27-L31 PolarHBondContact O-N 3.46Å; L27-F343 HydrophobicContact CD2-CB 4.12Å; L27-P344 HydrophobicContact CD2-CG 4.29Å; L27-A347 HydrophobicContact CB-CB 4.26Å; L27-Y377 HydrophobicContact CD1-CD1 3.39Å; L27-Y377 HydrophobicContact CD1-CD2 4.01Å; L27-Y377 HydrophobicContact CD1-CE1 3.46Å; L27-Y377 VanDerWaalsContact CD1-CE1 3.46Å; L27-Y377 HydrophobicContact CD1-CE2 4.08Å; L27-Y377 HydrophobicContact CD1-CG 3.66Å; L27-Y377 HydrophobicContact CG-CD1 4.11Å; L27-Y377 HydrophobicContact CG-CD2 4.35Å; L27-Y377 HydrophobicContact CG-CG 3.96Å; L27-R380 HydrophobicContact CD2-CB 4.17Å; L27-R380 HydrophobicContact CD2-CG 4.3Å
28V98.9Very high98.7Very high0 Ų028.9 Ų28.90%015%0.153CC..Hα-helixtrans-57.9-55.5179169.60000110.9R24 Y25 A26 D30 L31 I32 W136 T346 A347 W350R24-V28 VanDerWaalsContact O-CG2 3.24Å; R24-V28 WeakPolarHBondContact O-CG2 3.3Å; R24-V28 PolarHBondContact O-N 2.93Å; Y25-V28 PolarHBondContact O-N 2.66Å; A26-V28 VanDerWaalsContact C-N 3.35Å; A26-V28 PolarHBondContact O-N 3.42Å; V28-D30 VanDerWaalsContact C-N 3.34Å; V28-D30 PolarHBondContact O-N 3.13Å; V28-L31 PolarHBondContact O-N 2.99Å; V28-I32 HydrophobicContact CG1-CD1 3.9Å; V28-I32 VanDerWaalsContact O-CG1 3.3Å; V28-I32 WeakPolarHBondContact O-CG1 3.2Å; V28-I32 PolarHBondContact O-N 3.42Å; V28-W136 HydrophobicContact CG1-CB 3.97Å; V28-W136 VanDerWaalsContact CG1-CD1 3.46Å; V28-W136 HydrophobicContact CG1-CG 3.8Å; V28-T346 HydrophobicContact CG2-CG2 4.45Å; V28-A347 HydrophobicContact CB-CB 4.48Å; V28-A347 HydrophobicContact CG2-CB 3.97Å; V28-W350 HydrophobicContact CB-CE3 4.35Å; V28-W350 HydrophobicContact CG1-CB 4.24Å; V28-W350 HydrophobicContact CG1-CE3 3.89Å; V28-W350 HydrophobicContact CG2-CE3 3.54Å; V28-W350 HydrophobicContact CG2-CZ3 4.01Å
29M98.9Very high98.7Very high10 Ų1033.7 Ų33.75%0.04918%0.184CC..Hα-helixtrans-68.7-34.4-175.4-68.5-55-5600112.4I5 Y7 Y25 A26 I32 N33 I38I5-M29 HydrophobicContact CD1-CE 3.89Å; I5-M29 HydrophobicContact CD1-SD 3.98Å; I5-M29 HydrophobicContact CG1-CE 4.29Å; Y7-M29 HydrophobicContact CD1-CE 4.12Å; Y7-M29 HydrophobicContact CG-CE 4.03Å; Y25-M29 HydrophobicContact CD1-CG 4.26Å; Y25-M29 HydrophobicContact CD2-CG 4.41Å; Y25-M29 HydrophobicContact CE1-CG 3.68Å; Y25-M29 HydrophobicContact CE2-CG 3.87Å; Y25-M29 HydrophobicContact CE2-SD 4.33Å; Y25-M29 VanDerWaalsContact CZ-CG 3.46Å; Y25-M29 WeakPolarHBondContact O-CG 3.47Å; Y25-M29 PolarHBondContact O-N 3.09Å; A26-M29 PolarHBondContact O-N 2.96Å; M29-I32 HydrophobicContact SD-CD1 4.21Å; M29-N33 WeakPolarHBondContact O-CB 3.38Å; M29-N33 PolarHBondContact O-N 3.3Å; M29-I38 HydrophobicContact CE-CD1 3.95Å
30D98.8Very high98.7Very high29 Ų2931.3 Ų31.316%0.15517%0.165CC..Hα-helixtrans-72.6-33.4177.9-73.59.1000111.8R12 A26 V28 N33 A34 S376 Y377R12-D30 IonicContact CZ-OD1 2.73Å; R12-D30 VanDerWaalsContact CZ-OD1 3.25Å; R12-D30 IonicContact CZ-OD2 3.05Å; R12-D30 IonicContact NH1-OD1 3.7Å; R12-D30 PolarHBondContact NH1-OD1 3.47Å; R12-D30 IonicContact NH1-OD2 3.25Å; R12-D30 IonicContact NH2-OD1 3.59Å; R12-D30 PolarHBondContact NH2-OD1 3.34Å; R12-D30 IonicContact NH2-OD2 3.91Å; R12-D30 PolarHBondContact NH2-OD2 3.05Å; A26-D30 VanDerWaalsContact O-CB 3.26Å; A26-D30 WeakPolarHBondContact O-CB 3.41Å; A26-D30 VanDerWaalsContact O-CG 3.28Å; A26-D30 PolarHBondContact O-N 2.99Å; V28-D30 VanDerWaalsContact C-N 3.34Å; V28-D30 PolarHBondContact O-N 3.13Å; D30-N33 CarbonylContact O-C 3.16Å; D30-N33 PolarHBondContact O-N 2.74Å; D30-A34 VanDerWaalsContact O-CB 3.3Å; D30-A34 WeakPolarHBondContact O-CB 3.38Å; D30-A34 PolarHBondContact O-N 3.27Å; D30-S376 PolarHBondContact OD2-OG 3.25Å; D30-Y377 HydrophobicContact CB-CD2 3.97Å; D30-Y377 HydrophobicContact CB-CE2 4.41Å; D30-Y377 WeakPolarHBondContact OD2-CD2 3.42Å; D30-Y377 WeakPolarHBondContact OD2-CE2 3.4Å
31L98.9Very high98.7Very high0 Ų028.1 Ų28.10%015%0.152CC..Hα-helixtrans-68.9-44.2174.1-169.663.2000111.5L27 V28 N33 A34 Y35 A347 T351 I372 Y381 L387L27-L31 VanDerWaalsContact O-CB 3.31Å; L27-L31 WeakPolarHBondContact O-CB 3.37Å; L27-L31 PolarHBondContact O-N 3.46Å; V28-L31 PolarHBondContact O-N 2.99Å; L31-N33 PolarHBondContact O-N 3.35Å; L31-A34 WeakPolarHBondContact O-CB 3.47Å; L31-A34 PolarHBondContact O-N 2.89Å; L31-A34 VanDerWaalsContact O-N 3.1Å; L31-Y35 HydrophobicContact CD1-CD2 4.01Å; L31-Y35 HydrophobicContact CD1-CE2 3.72Å; L31-Y35 HydrophobicContact CD2-CE2 4.47Å; L31-Y35 HydrophobicContact CG-CD2 4.01Å; L31-Y35 HydrophobicContact CG-CE2 3.96Å; L31-Y35 WeakPolarHBondContact O-CD2 3.42Å; L31-Y35 PolarHBondContact O-N 2.87Å; L31-A347 HydrophobicContact CB-CB 4.49Å; L31-A347 HydrophobicContact CD2-CB 4.02Å; L31-T351 WeakPolarHBondContact CD2-OG1 3.17Å; L31-T351 HydrophobicContact CG-CG2 4.32Å; L31-T351 WeakPolarHBondContact CG-OG1 3.43Å; L31-I372 HydrophobicContact CD1-CD1 3.87Å; L31-I372 HydrophobicContact CD1-CG2 3.92Å; L31-I372 HydrophobicContact CD2-CD1 4.24Å; L31-Y381 HydrophobicContact CD1-CE1 4.42Å; L31-Y381 HydrophobicContact CD1-CE2 4.34Å; L31-Y381 HydrophobicContact CD2-CE1 3.78Å; L31-L387 HydrophobicContact CD2-CD1 4.47Å
32I98.9Very high98.7Very high0 Ų029.3 Ų29.30%016%0.161CC..Hα-helixtrans-55.3-42.6171.8-69.7168000110.6I5 V28 M29 K36 L37 I38 L41 T351 T354I5-I32 HydrophobicContact CD1-CD1 4.12Å; V28-I32 HydrophobicContact CG1-CD1 3.9Å; V28-I32 VanDerWaalsContact O-CG1 3.3Å; V28-I32 WeakPolarHBondContact O-CG1 3.2Å; V28-I32 PolarHBondContact O-N 3.42Å; M29-I32 HydrophobicContact SD-CD1 4.21Å; I32-K36 PolarHBondContact O-N 2.82Å; I32-L37 HydrophobicContact CG2-CB 3.83Å; I32-L37 HydrophobicContact CG2-CD1 4.31Å; I32-L37 WeakPolarHBondContact O-CB 3.44Å; I32-L37 PolarHBondContact O-N 3.31Å; I32-L37 VanDerWaalsContact O-N 3.11Å; I32-I38 HydrophobicContact CG2-CD1 3.94Å; I32-I38 HydrophobicContact CG2-CG1 4.36Å; I32-L41 HydrophobicContact CG2-CD1 4.2Å; I32-T351 HydrophobicContact CG1-CG2 4.47Å; I32-T354 HydrophobicContact CD1-CG2 4.35Å; I32-T354 HydrophobicContact CG2-CG2 4.14Å
33N98.8Very high98.7Very high81 Ų8134 Ų3443%0.43317%0.17SC..Hα-helixtrans-68.6-39.1175.9-177.758.7000113M29 D30 L31 Y35 K36 I38M29-N33 WeakPolarHBondContact O-CB 3.38Å; M29-N33 PolarHBondContact O-N 3.3Å; D30-N33 CarbonylContact O-C 3.16Å; D30-N33 PolarHBondContact O-N 2.74Å; L31-N33 PolarHBondContact O-N 3.35Å; N33-Y35 VanDerWaalsContact C-N 3.3Å; N33-Y35 PolarHBondContact O-N 2.81Å; N33-K36 WeakPolarHBondContact O-CA 3.46Å; N33-K36 PolarHBondContact O-N 2.68Å; N33-I38 HydrophobicContact CB-CG1 3.83Å
34A98.7Very high98.7Very high6 Ų632.2 Ų32.25%0.0516%0.161CC..Hα-helixtrans-61-40.8177.900000111.2D30 L31 K36 P373 H375D30-A34 VanDerWaalsContact O-CB 3.3Å; D30-A34 WeakPolarHBondContact O-CB 3.38Å; D30-A34 PolarHBondContact O-N 3.27Å; L31-A34 WeakPolarHBondContact O-CB 3.47Å; L31-A34 PolarHBondContact O-N 2.89Å; L31-A34 VanDerWaalsContact O-N 3.1Å; A34-K36 VanDerWaalsContact O-CE 3.29Å; A34-K36 WeakPolarHBondContact O-CE 3.42Å; A34-K36 PolarHBondContact O-N 3.15Å; A34-P373 HydrophobicContact CB-CB 4.14Å; A34-P373 HydrophobicContact CB-CG 4.4Å; A34-H375 HydrophobicContact CB-CB 3.9Å
35Y98.8Very high98.7Very high20 Ų2035.4 Ų35.48%0.07818%0.183CC..THydrogen-bonded Turntrans-74.86.5171.8-80.6-72.7000115.1L31 N33 L37 T351 L368 S369 E371 I372 P373 L387L31-Y35 HydrophobicContact CD1-CD2 4.01Å; L31-Y35 HydrophobicContact CD1-CE2 3.72Å; L31-Y35 HydrophobicContact CD2-CE2 4.47Å; L31-Y35 HydrophobicContact CG-CD2 4.01Å; L31-Y35 HydrophobicContact CG-CE2 3.96Å; L31-Y35 WeakPolarHBondContact O-CD2 3.42Å; L31-Y35 PolarHBondContact O-N 2.87Å; N33-Y35 VanDerWaalsContact C-N 3.3Å; N33-Y35 PolarHBondContact O-N 2.81Å; Y35-L37 VanDerWaalsContact C-N 3.26Å; Y35-L37 PolarHBondContact O-N 3.24Å; Y35-T351 HydrophobicContact CD2-CG2 3.55Å; Y35-T351 HydrophobicContact CE2-CG2 4.09Å; Y35-T351 HydrophobicContact CG-CG2 4.22Å; Y35-L368 HydrophobicContact CD1-CB 4.06Å; Y35-L368 HydrophobicContact CD1-CD2 3.69Å; Y35-L368 HydrophobicContact CD1-CG 4.38Å; Y35-L368 HydrophobicContact CE1-CB 3.94Å; Y35-L368 HydrophobicContact CE1-CD2 4.41Å; Y35-L368 HydrophobicContact CG-CD2 3.96Å; Y35-S369 WeakPolarHBondContact CE1-O 3.36Å; Y35-S369 PolarHBondContact OH-O 3.48Å; Y35-S369 VanDerWaalsContact OH-O 3.09Å; Y35-E371 PolarHBondContact OH-O 3.2Å; Y35-I372 HydrophobicContact CE2-CD1 4.39Å; Y35-P373 HydrophobicContact CD1-CG 3.87Å; Y35-P373 HydrophobicContact CD2-CG 4.31Å; Y35-P373 HydrophobicContact CE1-CG 3.79Å; Y35-P373 HydrophobicContact CE2-CG 4.26Å; Y35-P373 HydrophobicContact CG-CG 4.14Å; Y35-L387 HydrophobicContact CE1-CD2 4.4Å; Y35-L387 HydrophobicContact CE2-CD1 3.88Å; Y35-L387 HydrophobicContact CE2-CD2 4.36Å; Y35-L387 WeakPolarHBondContact OH-CB 3.42Å
36K98.5Very high98.7Very high148 Ų14836.3 Ų36.364%0.64319%0.19SC*.THydrogen-bonded Turntrans60.531.8176.1-44.4-58168.9-165.70113.7I32 N33 A34 P39I32-K36 PolarHBondContact O-N 2.82Å; N33-K36 WeakPolarHBondContact O-CA 3.46Å; N33-K36 PolarHBondContact O-N 2.68Å; A34-K36 VanDerWaalsContact O-CE 3.29Å; A34-K36 WeakPolarHBondContact O-CE 3.42Å; A34-K36 PolarHBondContact O-N 3.15Å; K36-P39 WeakPolarHBondContact O-CD 3.46Å
37L98.7Very high98.7Very high4 Ų438.4 Ų38.42%0.02120%0.2CC..  trans-84.1-23.2178.6-57.1-179.6000112.9I32 Y35 E40 L41 T351 T354 A355 I358 M366 L368I32-L37 HydrophobicContact CG2-CB 3.83Å; I32-L37 HydrophobicContact CG2-CD1 4.31Å; I32-L37 WeakPolarHBondContact O-CB 3.44Å; I32-L37 PolarHBondContact O-N 3.31Å; I32-L37 VanDerWaalsContact O-N 3.11Å; Y35-L37 VanDerWaalsContact C-N 3.26Å; Y35-L37 PolarHBondContact O-N 3.24Å; L37-E40 WeakPolarHBondContact O-CA 3.41Å; L37-E40 VanDerWaalsContact O-CB 3.3Å; L37-E40 WeakPolarHBondContact O-CB 3.5Å; L37-E40 PolarHBondContact O-N 3.01Å; L37-L41 HydrophobicContact CB-CD1 4.44Å; L37-L41 WeakPolarHBondContact O-CG 3.49Å; L37-T351 HydrophobicContact CD1-CG2 4.22Å; L37-T354 HydrophobicContact CD1-CG2 4.19Å; L37-A355 HydrophobicContact CD1-CB 3.98Å; L37-A355 HydrophobicContact CD2-CB 4.36Å; L37-I358 HydrophobicContact CB-CD1 4.11Å; L37-I358 HydrophobicContact CD2-CD1 4.16Å; L37-M366 HydrophobicContact CD2-CG 4.44Å; L37-M366 HydrophobicContact CD2-SD 3.9Å; L37-L368 HydrophobicContact CD1-CD2 4.42Å; L37-L368 HydrophobicContact CD2-CD2 4.11Å
38I98.7Very high98.7Very high27 Ų2744.9 Ų44.914%0.13823%0.23CC..G310 helixtrans-55.7-44.9-177.9-64.3-66.2000113.4Y7 M29 I32 N33 E40 L41Y7-I38 HydrophobicContact CE1-CD1 4.47Å; M29-I38 HydrophobicContact CE-CD1 3.95Å; I32-I38 HydrophobicContact CG2-CD1 3.94Å; I32-I38 HydrophobicContact CG2-CG1 4.36Å; N33-I38 HydrophobicContact CB-CG1 3.83Å; I38-E40 PolarHBondContact O-N 3.49Å; I38-E40 VanDerWaalsContact O-N 3.1Å; I38-L41 PolarHBondContact O-N 3.46Å
39P98.3Very high98.7Very high107 Ų10747.3 Ų47.370%0.69524%0.24SC*.G310 helixtrans-61.5-17.3175.8-24.135.7000114.6K36K36-P39 WeakPolarHBondContact O-CD 3.46Å
40E98.5Very high98.6Very high44 Ų4454.6 Ų54.621%0.20628%0.279CS..G310 helixtrans-87.9-10.2178.8-58.2-61.8152.600113.2L37 I38 I358 K362 K364 M366L37-E40 WeakPolarHBondContact O-CA 3.41Å; L37-E40 VanDerWaalsContact O-CB 3.3Å; L37-E40 WeakPolarHBondContact O-CB 3.5Å; L37-E40 PolarHBondContact O-N 3.01Å; I38-E40 PolarHBondContact O-N 3.49Å; I38-E40 VanDerWaalsContact O-N 3.1Å; E40-I358 HydrophobicContact CB-CD1 3.91Å; E40-I358 HydrophobicContact CB-CG1 4.4Å; E40-I358 HydrophobicContact CB-CG2 4.23Å; E40-K362 PolarHBondContact O-NZ 3.4Å; E40-K362 IonicContact OE2-NZ 3.38Å; E40-K362 PolarHBondContact OE2-NZ 3.01Å; E40-K364 IonicContact OE1-NZ 2.62Å; E40-K364 PolarHBondContact OE1-NZ 3.43Å; E40-K364 IonicContact OE2-NZ 2.83Å; E40-K364 PolarHBondContact OE2-NZ 3.43Å; E40-M366 HydrophobicContact CG-CE 4.26Å; E40-M366 HydrophobicContact CG-SD 4.04Å
41L98.7Very high98.6Very high18 Ų1855.4 Ų55.49%0.09429%0.287CS..SBendtrans-112146.4-171.6-61.9164.9000111.3V3 I5 I32 L37 I38 T354 I358V3-L41 HydrophobicContact CB-CD2 3.87Å; V3-L41 HydrophobicContact CG1-CD2 3.51Å; V3-L41 CarbonylContact O-C 3.4Å; V3-L41 WeakPolarHBondContact O-CA 3.27Å; I5-L41 HydrophobicContact CB-CB 4.49Å; I5-L41 HydrophobicContact CB-CD1 4.25Å; I5-L41 HydrophobicContact CD1-CD1 4.14Å; I5-L41 HydrophobicContact CG2-CB 3.69Å; I5-L41 HydrophobicContact CG2-CD1 3.76Å; I5-L41 HydrophobicContact CG2-CG 4.23Å; I32-L41 HydrophobicContact CG2-CD1 4.2Å; L37-L41 HydrophobicContact CB-CD1 4.44Å; L37-L41 WeakPolarHBondContact O-CG 3.49Å; I38-L41 PolarHBondContact O-N 3.46Å; L41-T354 HydrophobicContact CD1-CG2 3.69Å; L41-T354 HydrophobicContact CD2-CG2 4.32Å; L41-I358 HydrophobicContact CD1-CD1 4.41Å; L41-I358 HydrophobicContact CD2-CD1 3.81Å; L41-I358 HydrophobicContact CD2-CG1 3.72Å; L41-I358 HydrophobicContact CG-CD1 4.01Å; L41-I358 HydrophobicContact CG-CG1 4.41Å
42S98.7Very high98.6Very high32 Ų3259.8 Ų59.822%0.22432%0.315CS..EExtended strand (participates in β ladder)trans-87.3116.2171.3-164.50000109.7V3 G4 I5 V44 H129V3-S42 PolarHBondContact O-N 3.15Å; G4-S42 CarbonylContact C-O 3.49Å; G4-S42 WeakPolarHBondContact CA-O 3.32Å; I5-S42 PolarHBondContact N-O 3.42Å; S42-V44 PolarHBondContact O-N 3.36Å; S42-H129 PolarHBondContact OG-NE2 2.91Å
43R98.8Very high98.5Very high126 Ų12664.1 Ų64.148%0.47535%0.345SS..EExtended strand (participates in β ladder)trans-62.7122.9174.1-175.3175.175.884.91.9110.3Y7Y7-R43 HydrophobicContact CD1-CB 4.25Å; Y7-R43 HydrophobicContact CD1-CG 3.69Å; Y7-R43 HydrophobicContact CD2-CG 4.39Å; Y7-R43 HydrophobicContact CE1-CB 3.47Å; Y7-R43 VanDerWaalsContact CE1-CB 3.47Å; Y7-R43 HydrophobicContact CE1-CG 3.35Å; Y7-R43 HydrophobicContact CE2-CG 4.09Å; Y7-R43 HydrophobicContact CG-CG 4.21Å; Y7-R43 VanDerWaalsContact CZ-CD 3.42Å
44V98.9Very high98.5Very high7 Ų766.6 Ų66.64%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-100.8111.7171.7-1800000108.3I5 V6 S42 A120 A124 V133I5-V44 PolarHBondContact O-N 3.47Å; V6-V44 WeakPolarHBondContact CA-O 3.34Å; V6-V44 HydrophobicContact CG2-CB 4.09Å; V6-V44 HydrophobicContact CG2-CG1 4.19Å; S42-V44 PolarHBondContact O-N 3.36Å; V44-A120 HydrophobicContact CG1-CB 3.9Å; V44-A124 HydrophobicContact CG1-CB 4.37Å; V44-A124 HydrophobicContact CG2-CB 4.29Å; V44-V133 HydrophobicContact CB-CG1 4.36Å; V44-V133 HydrophobicContact CG2-CG1 3.86Å; V44-V133 HydrophobicContact CG2-CG2 4.42Å
45P98.7Very high98.5Very high74 Ų7467.1 Ų67.148%0.48135%0.35SS..PPolyproline II helixtrans-70136.9177.728.6-32.9000110.1A120P45-A120 WeakPolarHBondContact O-CB 3.29Å
46P98.8Very high98.5Very high28 Ų2868.2 Ų68.218%0.18236%0.355CS..PPolyproline II helixtrans-55.8144.6172.1-21.630.4000111.8V6 Y11 Q116V6-P46 HydrophobicContact CG1-CG 3.99Å; Y11-P46 HydrophobicContact CD1-CG 4.36Å; Y11-P46 HydrophobicContact CD2-CB 3.99Å; Y11-P46 HydrophobicContact CD2-CG 3.38Å; Y11-P46 HydrophobicContact CE2-CB 4.45Å; Y11-P46 HydrophobicContact CE2-CG 4.09Å; Y11-P46 HydrophobicContact CG-CG 3.56Å; P46-Q116 HydrophobicContact CB-CB 3.78Å
47L98.5Very high98.5Very high46 Ų4666.6 Ų66.624%0.24135%0.35CS..PPolyproline II helixtrans-65.1136.2180-17865.2000110.2W49 Q116 L119 A120L47-W49 HydrophobicContact CD2-CZ2 4.48Å; L47-Q116 WeakPolarHBondContact CB-O 3.39Å; L47-Q116 PolarHBondContact N-O 3.43Å; L47-Q116 VanDerWaalsContact O-CB 3.27Å; L47-Q116 WeakPolarHBondContact O-CB 3.49Å; L47-Q116 WeakPolarHBondContact O-CG 3.39Å; L47-Q116 PolarHBondContact O-NE2 3.33Å; L47-L119 HydrophobicContact CB-CB 4.48Å; L47-L119 HydrophobicContact CD2-CB 3.91Å; L47-L119 HydrophobicContact CD2-CD1 4.02Å; L47-A120 HydrophobicContact CB-CB 4.23Å
48Q98.3Very high98.5Very high135 Ų13567.3 Ų67.363%0.63136%0.356SS*.  trans-118.1157.1167.4-66.2-176.5-18.400109
49W98.5Very high98.5Very high51 Ų5166 Ų6619%0.19335%0.349CS..  trans-115144.7-176.8-60.3-87.2000111L47 S51 R54 M55 A58 L112 Q116 L119L47-W49 HydrophobicContact CD2-CZ2 4.48Å; W49-S51 PolarHBondContact O-N 3.06Å; W49-R54 HydrophobicContact CB-CB 4.1Å; W49-R54 HydrophobicContact CG-CB 4.48Å; W49-M55 HydrophobicContact CB-CB 4.11Å; W49-M55 HydrophobicContact CD2-CB 3.63Å; W49-M55 HydrophobicContact CD2-CG 3.86Å; W49-M55 HydrophobicContact CE3-CB 3.64Å; W49-M55 HydrophobicContact CE3-CG 3.47Å; W49-M55 VanDerWaalsContact CE3-CG 3.47Å; W49-M55 HydrophobicContact CG-CB 3.85Å; W49-M55 HydrophobicContact CH2-CG 4.01Å; W49-M55 HydrophobicContact CZ2-CG 4.35Å; W49-M55 HydrophobicContact CZ3-CB 4.25Å; W49-M55 HydrophobicContact CZ3-CG 3.55Å; W49-A58 HydrophobicContact CZ2-CB 4.16Å; W49-L112 HydrophobicContact CH2-CD1 3.51Å; W49-L112 HydrophobicContact CH2-CD2 4.36Å; W49-L112 HydrophobicContact CH2-CG 3.91Å; W49-L112 HydrophobicContact CZ3-CD1 3.86Å; W49-L112 HydrophobicContact CZ3-CD2 3.84Å; W49-L112 HydrophobicContact CZ3-CG 3.84Å; W49-Q116 HydrophobicContact CH2-CG 3.4Å; W49-Q116 VanDerWaalsContact CH2-CG 3.4Å; W49-Q116 HydrophobicContact CZ2-CG 4.42Å; W49-Q116 HydrophobicContact CZ3-CG 3.45Å; W49-Q116 VanDerWaalsContact CZ3-CG 3.45Å; W49-L119 HydrophobicContact CZ2-CD1 4.13Å
50D97.7Very high98.5Very high164 Ų16463 Ų6388%0.87733%0.329SS*.SBendtrans-68.3-16.8-179.4-55-39.9000113.4
51S98.2Very high98.6Very high45 Ų4563.3 Ų63.332%0.31534%0.339SS..SBendtrans-159.3160.6179.8730000112.7W49 S53 R54 M55W49-S51 PolarHBondContact O-N 3.06Å; S51-S53 PolarHBondContact O-N 2.6Å; S51-R54 PolarHBondContact O-N 3.17Å; S51-R54 PolarHBondContact OG-N 3.01Å; S51-M55 PolarHBondContact O-N 3.17Å
52P98.2Very high98.6Very high92 Ų9263.9 Ų63.960%0.59734%0.341SS*.Hα-helixtrans-54.8-37.3171.3-27.335.7000113.4R54 M55 Y56P52-R54 PolarHBondContact O-N 3.32Å; P52-M55 PolarHBondContact O-N 3.25Å; P52-Y56 WeakPolarHBondContact O-CD2 3.36Å; P52-Y56 PolarHBondContact O-N 3.21Å
53S98.5Very high98.6Very high91 Ų9162.4 Ų62.464%0.63633%0.33SS*.Hα-helixtrans-63.9-38.7178.8-56.10000112.7S51 Y56 E57S51-S53 PolarHBondContact O-N 2.6Å; S53-Y56 PolarHBondContact O-N 3.18Å; S53-E57 WeakPolarHBondContact O-CB 3.48Å; S53-E57 PolarHBondContact O-N 2.93Å
54R98.6Very high98.6Very high134 Ų13456.4 Ų56.451%0.50631%0.307SS..Hα-helixtrans-70.4-35176.4-70.8-61.2-168.7-173.80.1112.5W49 S51 P52 E57 A58W49-R54 HydrophobicContact CB-CB 4.1Å; W49-R54 HydrophobicContact CG-CB 4.48Å; S51-R54 PolarHBondContact O-N 3.17Å; S51-R54 PolarHBondContact OG-N 3.01Å; P52-R54 PolarHBondContact O-N 3.32Å; R54-E57 VanDerWaalsContact CD-OE2 3.25Å; R54-E57 WeakPolarHBondContact CD-OE2 3.41Å; R54-E57 IonicContact CZ-OE2 3.72Å; R54-E57 IonicContact NE-OE2 3.97Å; R54-E57 IonicContact NH1-OE1 3.21Å; R54-E57 IonicContact NH1-OE2 2.85Å; R54-E57 PolarHBondContact NH1-OE2 3.04Å; R54-A58 WeakPolarHBondContact O-CB 3.28Å; R54-A58 PolarHBondContact O-N 3.32Å; R54-A58 VanDerWaalsContact O-N 3.11Å
55M98.8Very high98.6Very high17 Ų1759.3 Ų59.38%0.08433%0.326CS..Hα-helixtrans-63.4-49172.2179.4-82.8-72.800110.6W49 S51 P52 E57 A58 V59 F108 L112W49-M55 HydrophobicContact CB-CB 4.11Å; W49-M55 HydrophobicContact CD2-CB 3.63Å; W49-M55 HydrophobicContact CD2-CG 3.86Å; W49-M55 HydrophobicContact CE3-CB 3.64Å; W49-M55 HydrophobicContact CE3-CG 3.47Å; W49-M55 VanDerWaalsContact CE3-CG 3.47Å; W49-M55 HydrophobicContact CG-CB 3.85Å; W49-M55 HydrophobicContact CH2-CG 4.01Å; W49-M55 HydrophobicContact CZ2-CG 4.35Å; W49-M55 HydrophobicContact CZ3-CB 4.25Å; W49-M55 HydrophobicContact CZ3-CG 3.55Å; S51-M55 PolarHBondContact O-N 3.17Å; P52-M55 PolarHBondContact O-N 3.25Å; M55-E57 PolarHBondContact O-N 3.3Å; M55-A58 PolarHBondContact O-N 2.79Å; M55-V59 WeakPolarHBondContact O-CG2 3.39Å; M55-V59 PolarHBondContact O-N 3.39Å; M55-V59 HydrophobicContact SD-CG2 3.99Å; M55-F108 HydrophobicContact CE-CE1 4.01Å; M55-F108 HydrophobicContact CE-CZ 3.76Å; M55-F108 HydrophobicContact SD-CZ 4.02Å; M55-L112 HydrophobicContact CE-CD2 4.47Å; M55-L112 HydrophobicContact CG-CD1 4.12Å; M55-L112 HydrophobicContact CG-CD2 3.89Å; M55-L112 HydrophobicContact SD-CD1 4.1Å; M55-L112 HydrophobicContact SD-CD2 4.07Å
56Y98.6Very high98.6Very high42 Ų4260.5 Ų60.517%0.16533%0.325CS..Hα-helixtrans-59.1-48.3176.8-96.5-104.7000111.7P52 S53 A58 V59 T60 T65 V68 D69P52-Y56 WeakPolarHBondContact O-CD2 3.36Å; P52-Y56 PolarHBondContact O-N 3.21Å; S53-Y56 PolarHBondContact O-N 3.18Å; Y56-A58 PolarHBondContact O-N 2.85Å; Y56-V59 PolarHBondContact O-N 2.96Å; Y56-T60 HydrophobicContact CD1-CG2 4.39Å; Y56-T60 WeakPolarHBondContact O-CB 3.25Å; Y56-T60 WeakPolarHBondContact O-CG2 3.41Å; Y56-T60 PolarHBondContact O-N 3.24Å; Y56-T60 PolarHBondContact O-OG1 2.9Å; Y56-T65 HydrophobicContact CE1-CG2 4.46Å; Y56-V68 HydrophobicContact CD1-CG1 4.07Å; Y56-V68 HydrophobicContact CE1-CB 4.21Å; Y56-V68 HydrophobicContact CE1-CG1 3.62Å; Y56-V68 HydrophobicContact CE2-CG1 4.39Å; Y56-D69 WeakPolarHBondContact CE1-OD1 3.42Å; Y56-D69 VanDerWaalsContact CZ-OD1 3.27Å; Y56-D69 PolarHBondContact OH-OD1 2.84Å
57E98.5Very high98.6Very high115 Ų11559.1 Ų59.154%0.53732%0.316SS..Hα-helixtrans-54.1-40.6176.3-179.4-177.8-148.800112.3S53 R54 M55 A61S53-E57 WeakPolarHBondContact O-CB 3.48Å; S53-E57 PolarHBondContact O-N 2.93Å; R54-E57 VanDerWaalsContact CD-OE2 3.25Å; R54-E57 WeakPolarHBondContact CD-OE2 3.41Å; R54-E57 IonicContact CZ-OE2 3.72Å; R54-E57 IonicContact NE-OE2 3.97Å; R54-E57 IonicContact NH1-OE1 3.21Å; R54-E57 IonicContact NH1-OE2 2.85Å; R54-E57 PolarHBondContact NH1-OE2 3.04Å; M55-E57 PolarHBondContact O-N 3.3Å; E57-A61 PolarHBondContact O-N 3.34Å
58A98.5Very high98.6Very high19 Ų1957 Ų5716%0.15730%0.304CS..Hα-helixtrans-70.4-43.2179.200000112.7W49 R54 M55 Y56 A61 L119 L159W49-A58 HydrophobicContact CZ2-CB 4.16Å; R54-A58 WeakPolarHBondContact O-CB 3.28Å; R54-A58 PolarHBondContact O-N 3.32Å; R54-A58 VanDerWaalsContact O-N 3.11Å; M55-A58 PolarHBondContact O-N 2.79Å; Y56-A58 PolarHBondContact O-N 2.85Å; A58-A61 WeakPolarHBondContact O-CB 3.31Å; A58-L119 HydrophobicContact CB-CD1 4.42Å; A58-L159 WeakPolarHBondContact O-CD2 3.34Å
59V98.7Very high98.6Very high0 Ų054 Ų540%029%0.293CS..Hα-helixtrans-74.9-38.8-177.9-179.90000111.1M55 Y56 A61 F62 H63 V68 L112 L154M55-V59 WeakPolarHBondContact O-CG2 3.39Å; M55-V59 PolarHBondContact O-N 3.39Å; M55-V59 HydrophobicContact SD-CG2 3.99Å; Y56-V59 PolarHBondContact O-N 2.96Å; V59-A61 PolarHBondContact O-N 2.89Å; V59-F62 PolarHBondContact O-N 3.06Å; V59-H63 HydrophobicContact CG1-CB 4.39Å; V59-H63 PolarHBondContact O-N 3.33Å; V59-H63 VanDerWaalsContact O-N 3.1Å; V59-V68 HydrophobicContact CG1-CG1 4.5Å; V59-V68 HydrophobicContact CG1-CG2 3.7Å; V59-L112 HydrophobicContact CG2-CD1 3.55Å; V59-L154 HydrophobicContact CG1-CD1 4.16Å; V59-L154 HydrophobicContact CG1-CD2 3.85Å
60T98.7Very high98.6Very high43 Ų4351.8 Ų51.826%0.26429%0.286SS..THydrogen-bonded Turntrans-81.11.7-18065.30000114.2Y56 F62 H63 V68Y56-T60 HydrophobicContact CD1-CG2 4.39Å; Y56-T60 WeakPolarHBondContact O-CB 3.25Å; Y56-T60 WeakPolarHBondContact O-CG2 3.41Å; Y56-T60 PolarHBondContact O-N 3.24Å; Y56-T60 PolarHBondContact O-OG1 2.9Å; T60-F62 PolarHBondContact O-N 3.23Å; T60-H63 CarbonylContact C-O 3.54Å; T60-H63 WeakPolarHBondContact CA-O 3.46Å; T60-H63 WeakPolarHBondContact CB-O 3.22Å; T60-V68 HydrophobicContact CG2-CG2 4Å
61A98.5Very high98.7Very high50 Ų5044 Ų4441%0.41324%0.244SC..THydrogen-bonded Turntrans-57.9-24.4163.200000112E57 A58 V59 L159E57-A61 PolarHBondContact O-N 3.34Å; A58-A61 WeakPolarHBondContact O-CB 3.31Å; V59-A61 PolarHBondContact O-N 2.89Å; A61-L159 HydrophobicContact CB-CD2 4.14Å
62F98.8Very high98.7Very high30 Ų3046 Ų4613%0.13225%0.247CC..THydrogen-bonded Turntrans-119.9-56.8168.5173.2-124.3000112.2V59 T60 R145 N155 V158 L159 A196V59-F62 PolarHBondContact O-N 3.06Å; T60-F62 PolarHBondContact O-N 3.23Å; F62-R145 HydrophobicContact CE2-CB 4.14Å; F62-R145 HydrophobicContact CZ-CB 4.28Å; F62-R145 WeakPolarHBondContact O-CG 3.4Å; F62-N155 HydrophobicContact CD1-CB 4.03Å; F62-N155 HydrophobicContact CE1-CB 3.71Å; F62-V158 HydrophobicContact CB-CG1 3.88Å; F62-V158 HydrophobicContact CD1-CB 4.14Å; F62-V158 HydrophobicContact CD1-CG1 3.88Å; F62-V158 HydrophobicContact CD2-CG1 3.61Å; F62-V158 HydrophobicContact CE1-CB 4.37Å; F62-V158 HydrophobicContact CE1-CG1 4.29Å; F62-V158 HydrophobicContact CE1-CG2 4.41Å; F62-V158 HydrophobicContact CE2-CG1 4.04Å; F62-V158 HydrophobicContact CG-CB 4.27Å; F62-V158 HydrophobicContact CG-CG1 3.5Å; F62-V158 HydrophobicContact CZ-CG1 4.36Å; F62-V158 HydrophobicContact CZ-CG2 4.44Å; F62-L159 HydrophobicContact CB-CD2 3.66Å; F62-L159 HydrophobicContact CB-CG 4.33Å; F62-A196 HydrophobicContact CD2-CB 4.26Å; F62-A196 HydrophobicContact CE2-CB 3.56Å; F62-A196 HydrophobicContact CZ-CB 3.98Å
63H98.9Very high98.7Very high1 Ų145.7 Ų45.71%0.00524%0.236CC..SBendtrans-71.9154.3-172.8-68.5-74.9000112.6V59 T60 Y67 V68 K144 R145 L154 N155V59-H63 HydrophobicContact CG1-CB 4.39Å; V59-H63 PolarHBondContact O-N 3.33Å; V59-H63 VanDerWaalsContact O-N 3.1Å; T60-H63 CarbonylContact C-O 3.54Å; T60-H63 WeakPolarHBondContact CA-O 3.46Å; T60-H63 WeakPolarHBondContact CB-O 3.22Å; H63-Y67 HydrophobicContact CB-CD1 4.14Å; H63-Y67 AromaticContact ND1-CD1 3.71Å; H63-Y67 AromaticContact ND1-CE1 3.64Å; H63-V68 HydrophobicContact CB-CG2 3.82Å; H63-K144 PolarHBondContact CE1-O 3.09Å; H63-K144 PolarHBondContact ND1-O 3.36Å; H63-R145 CarbonylContact C-O 3.58Å; H63-R145 WeakPolarHBondContact CA-O 3.29Å; H63-R145 PolarHBondContact ND1-O 3.5Å; H63-L154 WeakPolarHBondContact NE2-CA 3.41Å; H63-N155 PolarHBondContact NE2-N 2.67Å
64S98.8Very high98.7Very high0 Ų041.4 Ų41.40%021%0.206CC..  trans-76.6148.7172.877.80000112.2E66 Y67 V68 R145 S146S64-E66 VanDerWaalsContact C-N 3.29Å; S64-E66 WeakPolarHBondContact CB-OE1 3.45Å; S64-E66 WeakPolarHBondContact CB-OE2 3.43Å; S64-E66 PolarHBondContact O-N 3.02Å; S64-E66 WeakPolarHBondContact OG-CG 3.27Å; S64-E66 PolarHBondContact OG-OE1 3.08Å; S64-E66 PolarHBondContact OG-OE2 3.38Å; S64-Y67 PolarHBondContact O-N 3.03Å; S64-Y67 WeakPolarHBondContact OG-CB 3.25Å; S64-Y67 PolarHBondContact OG-N 3.48Å; S64-V68 WeakPolarHBondContact O-CG2 3.45Å; S64-V68 PolarHBondContact O-N 2.84Å; S64-V68 VanDerWaalsContact O-N 3.08Å; S64-R145 PolarHBondContact N-O 2.96Å; S64-S146 WeakPolarHBondContact CB-OG 3.24Å; S64-S146 PolarHBondContact OG-OG 2.73Å
65T98.8Very high98.7Very high69 Ų6936.4 Ų36.442%0.42319%0.188SC..Hα-helixtrans-59.1-43.7-179.3-53.50000111Y56 Y67 V68 D69Y56-T65 HydrophobicContact CE1-CG2 4.46Å; T65-Y67 VanDerWaalsContact C-N 3.31Å; T65-Y67 PolarHBondContact O-N 3.42Å; T65-V68 PolarHBondContact O-N 3.38Å; T65-D69 WeakPolarHBondContact O-CB 3.46Å; T65-D69 VanDerWaalsContact O-CG 3.3Å; T65-D69 PolarHBondContact O-N 3.22Å
66E98.8Very high98.7Very high98 Ų9841.2 Ų41.246%0.45821%0.212SC..Hα-helixtrans-61.9-36179.461.1-80.8-175.900113.1S64 A70 F95S64-E66 VanDerWaalsContact C-N 3.29Å; S64-E66 WeakPolarHBondContact CB-OE1 3.45Å; S64-E66 WeakPolarHBondContact CB-OE2 3.43Å; S64-E66 PolarHBondContact O-N 3.02Å; S64-E66 WeakPolarHBondContact OG-CG 3.27Å; S64-E66 PolarHBondContact OG-OE1 3.08Å; S64-E66 PolarHBondContact OG-OE2 3.38Å; E66-A70 WeakPolarHBondContact O-CB 3.4Å; E66-A70 PolarHBondContact O-N 2.93Å; E66-F95 HydrophobicContact CB-CZ 4.09Å; E66-F95 HydrophobicContact CG-CE1 4.08Å; E66-F95 HydrophobicContact CG-CZ 3.83Å
67Y98.9Very high98.7Very high0 Ų040.3 Ų40.30%021%0.21CC..Hα-helixtrans-70.4-43.8175172.8-111.4000111.8H63 S64 T65 D69 A70 L71 F95 L97 A148 Y153 L154H63-Y67 HydrophobicContact CB-CD1 4.14Å; H63-Y67 AromaticContact ND1-CD1 3.71Å; H63-Y67 AromaticContact ND1-CE1 3.64Å; S64-Y67 PolarHBondContact O-N 3.03Å; S64-Y67 WeakPolarHBondContact OG-CB 3.25Å; S64-Y67 PolarHBondContact OG-N 3.48Å; T65-Y67 VanDerWaalsContact C-N 3.31Å; T65-Y67 PolarHBondContact O-N 3.42Å; Y67-D69 VanDerWaalsContact C-N 3.29Å; Y67-D69 PolarHBondContact O-N 2.78Å; Y67-A70 PolarHBondContact O-N 3.07Å; Y67-L71 PolarHBondContact O-N 3.23Å; Y67-F95 HydrophobicContact CD2-CB 3.82Å; Y67-F95 AromaticContact CD2-CD1 3.75Å; Y67-F95 HydrophobicContact CD2-CD1 3.75Å; Y67-F95 AromaticContact CD2-CG 3.88Å; Y67-F95 HydrophobicContact CD2-CG 3.88Å; Y67-F95 HydrophobicContact CE2-CB 4.11Å; Y67-F95 HydrophobicContact CG-CD1 4.4Å; Y67-L97 HydrophobicContact CE2-CD1 4.15Å; Y67-L97 HydrophobicContact CE2-CD2 4.17Å; Y67-L97 HydrophobicContact CE2-CG 4.19Å; Y67-A148 WeakPolarHBondContact OH-CB 3.36Å; Y67-Y153 VanDerWaalsContact CE1-O 3.26Å; Y67-Y153 WeakPolarHBondContact CE1-O 3.48Å; Y67-Y153 WeakPolarHBondContact OH-CA 3.19Å; Y67-Y153 PolarHBondContact OH-O 2.82Å; Y67-L154 HydrophobicContact CE1-CD2 4.08Å
68V98.9Very high98.7Very high0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-62.1-39.7176.7177.10000110.8Y56 V59 T60 H63 S64 T65 K72 F108Y56-V68 HydrophobicContact CD1-CG1 4.07Å; Y56-V68 HydrophobicContact CE1-CB 4.21Å; Y56-V68 HydrophobicContact CE1-CG1 3.62Å; Y56-V68 HydrophobicContact CE2-CG1 4.39Å; V59-V68 HydrophobicContact CG1-CG1 4.5Å; V59-V68 HydrophobicContact CG1-CG2 3.7Å; T60-V68 HydrophobicContact CG2-CG2 4Å; H63-V68 HydrophobicContact CB-CG2 3.82Å; S64-V68 WeakPolarHBondContact O-CG2 3.45Å; S64-V68 PolarHBondContact O-N 2.84Å; S64-V68 VanDerWaalsContact O-N 3.08Å; T65-V68 PolarHBondContact O-N 3.38Å; V68-K72 WeakPolarHBondContact O-CB 3.28Å; V68-K72 PolarHBondContact O-N 3.3Å; V68-F108 HydrophobicContact CG1-CE2 3.99Å; V68-F108 HydrophobicContact CG1-CZ 4.44Å
69D98.8Very high98.6Very high74 Ų7441.4 Ų41.440%0.39622%0.22SC..Hα-helixtrans-64.2-43.8174.3-72.5-24.2000111.9Y56 T65 Y67 K72 K73Y56-D69 WeakPolarHBondContact CE1-OD1 3.42Å; Y56-D69 VanDerWaalsContact CZ-OD1 3.27Å; Y56-D69 PolarHBondContact OH-OD1 2.84Å; T65-D69 WeakPolarHBondContact O-CB 3.46Å; T65-D69 VanDerWaalsContact O-CG 3.3Å; T65-D69 PolarHBondContact O-N 3.22Å; Y67-D69 VanDerWaalsContact C-N 3.29Å; Y67-D69 PolarHBondContact O-N 2.78Å; D69-K72 PolarHBondContact O-N 3.44Å; D69-K73 WeakPolarHBondContact O-CB 3.34Å; D69-K73 PolarHBondContact O-N 3.46Å
70A98.8Very high98.5Very high4 Ų446.6 Ų46.63%0.03325%0.245CC..Hα-helixtrans-62.4-45.7176.300000112E66 Y67 K72 K73 L74 F95 L97E66-A70 WeakPolarHBondContact O-CB 3.4Å; E66-A70 PolarHBondContact O-N 2.93Å; Y67-A70 PolarHBondContact O-N 3.07Å; A70-K72 VanDerWaalsContact C-N 3.32Å; A70-K72 PolarHBondContact O-N 2.78Å; A70-K73 CarbonylContact O-C 3.56Å; A70-K73 WeakPolarHBondContact O-CB 3.37Å; A70-K73 PolarHBondContact O-N 2.64Å; A70-L74 WeakPolarHBondContact O-CB 3.12Å; A70-L74 PolarHBondContact O-N 3.29Å; A70-F95 HydrophobicContact CB-CD2 3.43Å; A70-F95 VanDerWaalsContact CB-CD2 3.43Å; A70-F95 HydrophobicContact CB-CE2 3.55Å; A70-F95 HydrophobicContact CB-CG 4.34Å; A70-L97 HydrophobicContact CB-CD1 4.18Å
71L98.9Very high98.2Very high0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-62.8-39177.9-174.464.9000112Y67 L74 Q75 L97 V107 F108 Y153 L154Y67-L71 PolarHBondContact O-N 3.23Å; L71-L74 HydrophobicContact CD1-CD2 4.35Å; L71-L74 WeakPolarHBondContact O-CB 3.33Å; L71-L74 PolarHBondContact O-N 3.29Å; L71-Q75 PolarHBondContact O-N 2.87Å; L71-L97 HydrophobicContact CB-CD1 4.45Å; L71-L97 HydrophobicContact CD1-CD1 4.45Å; L71-L97 HydrophobicContact CD1-CD2 3.61Å; L71-V107 HydrophobicContact CD1-CG1 4.41Å; L71-V107 HydrophobicContact CD1-CG2 4.04Å; L71-F108 HydrophobicContact CB-CD2 4.24Å; L71-F108 HydrophobicContact CD2-CD2 4Å; L71-F108 HydrophobicContact CG-CB 4.46Å; L71-F108 HydrophobicContact CG-CD2 3.92Å; L71-Y153 HydrophobicContact CD1-CD1 3.78Å; L71-Y153 HydrophobicContact CD1-CG 4.33Å; L71-L154 HydrophobicContact CD2-CD1 4.28Å; L71-L154 HydrophobicContact CD2-CD2 4.01Å; L71-L154 HydrophobicContact CD2-CG 3.87Å
72K98.7Very high97.9Very high88 Ų8858.3 Ų58.338%0.38329%0.286SS..Hα-helixtrans-67.8-39.7174.7-171.3177.7178.3-176.30111.9V68 D69 A70 L74 Q75 M76 F108V68-K72 WeakPolarHBondContact O-CB 3.28Å; V68-K72 PolarHBondContact O-N 3.3Å; D69-K72 PolarHBondContact O-N 3.44Å; A70-K72 VanDerWaalsContact C-N 3.32Å; A70-K72 PolarHBondContact O-N 2.78Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-Q75 PolarHBondContact O-N 3.48Å; K72-M76 PolarHBondContact O-N 2.9Å; K72-F108 HydrophobicContact CB-CD2 3.92Å; K72-F108 HydrophobicContact CB-CE2 4.1Å; K72-F108 HydrophobicContact CB-CG 4.25Å; K72-F108 HydrophobicContact CG-CG 4.47Å
73K98.7Very high97.6Very high84 Ų8464.4 Ų64.437%0.36531%0.314SS..Hα-helixtrans-63.6-40173.9-169.9-174.4-172.4-170.50111.3D69 A70 Q75 M76 L77 D88 L91 M92D69-K73 WeakPolarHBondContact O-CB 3.34Å; D69-K73 PolarHBondContact O-N 3.46Å; A70-K73 CarbonylContact O-C 3.56Å; A70-K73 WeakPolarHBondContact O-CB 3.37Å; A70-K73 PolarHBondContact O-N 2.64Å; K73-Q75 VanDerWaalsContact C-N 3.34Å; K73-Q75 PolarHBondContact O-N 3.06Å; K73-M76 WeakPolarHBondContact O-CB 3.25Å; K73-M76 PolarHBondContact O-N 2.77Å; K73-M76 VanDerWaalsContact O-N 3.15Å; K73-L77 HydrophobicContact CD-CD1 4.46Å; K73-L77 HydrophobicContact CG-CD1 4.04Å; K73-L77 HydrophobicContact CG-CG 4.4Å; K73-L77 WeakPolarHBondContact O-CG 3.35Å; K73-L77 PolarHBondContact O-N 3.45Å; K73-D88 WeakPolarHBondContact CE-OD1 3.45Å; K73-D88 IonicContact NZ-OD1 2.57Å; K73-D88 PolarHBondContact NZ-OD1 3.42Å; K73-L91 HydrophobicContact CD-CD2 4.21Å; K73-M92 HydrophobicContact CB-CE 4.3Å; K73-M92 HydrophobicContact CD-CE 4.17Å; K73-M92 HydrophobicContact CG-CE 4.39Å
74L98.6Very high97.4Very high2 Ų266.2 Ų66.21%0.0132%0.324CS..Hα-helixtrans-57.7-46.1176.3-175.866.9000111.5A70 L71 K72 M76 L77 H78 M92 L97 V107A70-L74 WeakPolarHBondContact O-CB 3.12Å; A70-L74 PolarHBondContact O-N 3.29Å; L71-L74 HydrophobicContact CD1-CD2 4.35Å; L71-L74 WeakPolarHBondContact O-CB 3.33Å; L71-L74 PolarHBondContact O-N 3.29Å; K72-L74 VanDerWaalsContact C-N 3.34Å; L74-M76 PolarHBondContact O-N 2.92Å; L74-L77 PolarHBondContact O-N 2.87Å; L74-H78 PolarHBondContact O-CD2 2.99Å; L74-H78 VanDerWaalsContact O-CD2 3.32Å; L74-H78 PolarHBondContact O-N 3.26Å; L74-M92 HydrophobicContact CB-CE 4.41Å; L74-M92 HydrophobicContact CB-SD 3.8Å; L74-M92 HydrophobicContact CD1-CG 3.84Å; L74-M92 HydrophobicContact CD1-SD 3.79Å; L74-M92 HydrophobicContact CG-SD 4.26Å; L74-L97 HydrophobicContact CD2-CB 3.94Å; L74-L97 HydrophobicContact CD2-CD1 4.3Å; L74-L97 HydrophobicContact CD2-CD2 4.04Å; L74-L97 HydrophobicContact CD2-CG 4.32Å; L74-V107 HydrophobicContact CB-CG1 4.41Å; L74-V107 HydrophobicContact CD2-CG1 4.03Å; L74-V107 HydrophobicContact CG-CG1 4.12Å
75Q98.6Very high97.3Very high28 Ų2868.8 Ų68.813%0.13134%0.34CS..Hα-helixtrans-59.7-45.9174.8-178.5170.4-66.700111.9L71 K72 K73 L77 H78 C79 P105 S106 V107 F108 D109L71-Q75 PolarHBondContact O-N 2.87Å; K72-Q75 PolarHBondContact O-N 3.48Å; K73-Q75 VanDerWaalsContact C-N 3.34Å; K73-Q75 PolarHBondContact O-N 3.06Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; Q75-L77 PolarHBondContact O-N 3.16Å; Q75-H78 PolarHBondContact O-N 2.84Å; Q75-C79 PolarHBondContact O-N 3.4Å; Q75-C79 VanDerWaalsContact O-N 3.15Å; Q75-C79 PolarHBondContact O-SG 2.89Å; Q75-C79 VanDerWaalsContact O-SG 3.4Å; Q75-P105 WeakPolarHBondContact CG-O 3.28Å; Q75-S106 VanDerWaalsContact OE1-CA 3.3Å; Q75-S106 PolarHBondContact OE1-O 3.2Å; Q75-V107 HydrophobicContact CB-CG1 3.91Å; Q75-F108 HydrophobicContact CB-CB 3.9Å; Q75-D109 VanDerWaalsContact NE2-CG 3.34Å; Q75-D109 PolarHBondContact NE2-OD2 3.48Å
76M98.4Very high97.2Very high118 Ų11869.2 Ų69.258%0.58135%0.351SS*.Hα-helixtrans-56.6-48177.3-80.8-90.3-59.300111.7K72 K73 L74 H78 C79 E80K72-M76 PolarHBondContact O-N 2.9Å; K73-M76 WeakPolarHBondContact O-CB 3.25Å; K73-M76 PolarHBondContact O-N 2.77Å; K73-M76 VanDerWaalsContact O-N 3.15Å; L74-M76 PolarHBondContact O-N 2.92Å; M76-H78 VanDerWaalsContact C-N 3.33Å; M76-H78 PolarHBondContact O-N 3.38Å; M76-C79 WeakPolarHBondContact O-CB 3.32Å; M76-C79 PolarHBondContact O-N 2.9Å; M76-C79 VanDerWaalsContact O-N 3.12Å; M76-E80 PolarHBondContact O-N 2.83Å
77L98.1Very high97.2Very high24 Ų2470.9 Ų70.913%0.12636%0.363CS..Hα-helixtrans-60.9-40.9179.8-69.1164.7000111.8K73 L74 Q75 C79 E80 L84 D88 M92K73-L77 HydrophobicContact CD-CD1 4.46Å; K73-L77 HydrophobicContact CG-CD1 4.04Å; K73-L77 HydrophobicContact CG-CG 4.4Å; K73-L77 WeakPolarHBondContact O-CG 3.35Å; K73-L77 PolarHBondContact O-N 3.45Å; L74-L77 PolarHBondContact O-N 2.87Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; Q75-L77 PolarHBondContact O-N 3.16Å; L77-C79 VanDerWaalsContact C-N 3.25Å; L77-C79 PolarHBondContact O-N 3.32Å; L77-E80 PolarHBondContact O-N 3.38Å; L77-E80 VanDerWaalsContact O-N 3.17Å; L77-L84 HydrophobicContact CB-CD1 4.12Å; L77-L84 HydrophobicContact CD1-CD2 4.43Å; L77-L84 HydrophobicContact CD1-CG 4.17Å; L77-D88 HydrophobicContact CD1-CB 4.11Å; L77-M92 HydrophobicContact CD1-CE 4.2Å
78H97.9Very high97.2Very high70 Ų7071.7 Ų71.732%0.32437%0.367SS..Hα-helixtrans-75.8-7.4177.8-82.8-98000114.9L74 Q75 M76 G103L74-H78 PolarHBondContact O-CD2 2.99Å; L74-H78 VanDerWaalsContact O-CD2 3.32Å; L74-H78 PolarHBondContact O-N 3.26Å; Q75-H78 PolarHBondContact O-N 2.84Å; M76-H78 VanDerWaalsContact C-N 3.33Å; M76-H78 PolarHBondContact O-N 3.38Å; H78-G103 PolarHBondContact CE1-O 3.41Å; H78-G103 PolarHBondContact ND1-O 3.07Å; H78-G103 WeakPolarHBondContact NE2-CA 3.28Å
79C97.5Very high97.1Very high86 Ų8676.5 Ų76.558%0.58139%0.389SS*.THydrogen-bonded Turntrans-90.9-9.4169.9-74.30000112.6Q75 M76 L77 P105Q75-C79 PolarHBondContact O-N 3.4Å; Q75-C79 VanDerWaalsContact O-N 3.15Å; Q75-C79 PolarHBondContact O-SG 2.89Å; Q75-C79 VanDerWaalsContact O-SG 3.4Å; M76-C79 WeakPolarHBondContact O-CB 3.32Å; M76-C79 PolarHBondContact O-N 2.9Å; M76-C79 VanDerWaalsContact O-N 3.12Å; L77-C79 VanDerWaalsContact C-N 3.25Å; L77-C79 PolarHBondContact O-N 3.32Å; C79-P105 PolarHBondContact SG-O 3.13Å
80E96.1Very high97.1Very high110 Ų11078.8 Ų78.851%0.51440%0.401SS..SBendtrans-99.1149.5174.9-63.8-180-17400109.7M76 L77 K82M76-E80 PolarHBondContact O-N 2.83Å; L77-E80 PolarHBondContact O-N 3.38Å; L77-E80 VanDerWaalsContact O-N 3.17Å; E80-K82 PolarHBondContact O-N 3.14Å
81E92.2Very high97.1Very high197 Ų19781.4 Ų81.492%0.92141%0.414SS*.SBendtrans-75.3-14.5177.8-167.6180-173.200112.2
82K92.2Very high97.1Very high142 Ų14281.6 Ų81.662%0.61742%0.415SS*.SBendtrans-78132.8-174.9-171.9-168.6164.1-168.60110.5E80E80-K82 PolarHBondContact O-N 3.14Å
83E92.7Very high97Very high157 Ų15780.9 Ų80.973%0.73442%0.415SS*.PPolyproline II helixtrans-54.9148.7169.5-64.6-62.6153.600112.5
84L94.8Very high97Very high39 Ų3980.7 Ų80.720%0.20443%0.425CS..PPolyproline II helixtrans-58144.9175.2-87.167.4000110.3L77 D88 E89 M92L77-L84 HydrophobicContact CB-CD1 4.12Å; L77-L84 HydrophobicContact CD1-CD2 4.43Å; L77-L84 HydrophobicContact CD1-CG 4.17Å; L84-D88 HydrophobicContact CB-CB 4.2Å; L84-D88 HydrophobicContact CD2-CB 4.3Å; L84-D88 HydrophobicContact CG-CB 4.19Å; L84-E89 HydrophobicContact CB-CG 3.77Å; L84-E89 HydrophobicContact CD2-CG 4.17Å; L84-M92 HydrophobicContact CD2-CG 4.29Å
85T97.4Very high97Very high54 Ų5481.7 Ų81.733%0.33143%0.429SS..PPolyproline II helixtrans-75.2157.4168.371.20000109.9D87 D88 E89T85-D87 PolarHBondContact O-N 2.87Å; T85-D88 WeakPolarHBondContact CB-OD2 3.17Å; T85-D88 PolarHBondContact N-OD2 2.89Å; T85-D88 WeakPolarHBondContact O-CA 3.15Å; T85-D88 WeakPolarHBondContact O-CB 3.37Å; T85-D88 PolarHBondContact O-N 3.05Å; T85-D88 PolarHBondContact OG1-N 3.46Å; T85-D88 PolarHBondContact OG1-OD2 3.35Å; T85-E89 PolarHBondContact O-N 3.14Å
86A97.3Very high97Very high79 Ų7982 Ų8265%0.65343%0.434SS*.Hα-helixtrans-57.4-34.1177.500000112.9L90A86-L90 WeakPolarHBondContact O-CB 3.25Å; A86-L90 PolarHBondContact O-N 3.45Å; A86-L90 VanDerWaalsContact O-N 3.07Å
87D98.1Very high97Very high133 Ų13376.6 Ų76.671%0.71141%0.408SS*.Hα-helixtrans-70.6-33.3175.5-67.1-20.8000111.8T85 L91T85-D87 PolarHBondContact O-N 2.87Å; D87-L91 WeakPolarHBondContact O-CB 3.42Å; D87-L91 PolarHBondContact O-N 3.46Å
88D98.2Very high97Very high16 Ų1676.9 Ų76.99%0.08641%0.41CS..Hα-helixtrans-69.1-44.5173.9-67.6-48.3000111.2K73 L77 L84 T85 L90 L91 M92K73-D88 WeakPolarHBondContact CE-OD1 3.45Å; K73-D88 IonicContact NZ-OD1 2.57Å; K73-D88 PolarHBondContact NZ-OD1 3.42Å; L77-D88 HydrophobicContact CD1-CB 4.11Å; L84-D88 HydrophobicContact CB-CB 4.2Å; L84-D88 HydrophobicContact CD2-CB 4.3Å; L84-D88 HydrophobicContact CG-CB 4.19Å; T85-D88 WeakPolarHBondContact CB-OD2 3.17Å; T85-D88 PolarHBondContact N-OD2 2.89Å; T85-D88 WeakPolarHBondContact O-CA 3.15Å; T85-D88 WeakPolarHBondContact O-CB 3.37Å; T85-D88 PolarHBondContact O-N 3.05Å; T85-D88 PolarHBondContact OG1-N 3.46Å; T85-D88 PolarHBondContact OG1-OD2 3.35Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-L90 PolarHBondContact O-N 2.95Å; D88-L91 WeakPolarHBondContact O-CB 3.15Å; D88-L91 PolarHBondContact O-N 3.32Å; D88-M92 VanDerWaalsContact O-CG 3.29Å; D88-M92 WeakPolarHBondContact O-CG 3.37Å; D88-M92 PolarHBondContact O-N 2.95Å
89E97.5Very high97Very high101 Ų10183 Ų8347%0.47243%0.431SS..Hα-helixtrans-58-48.1175.5-69.3-163.9-178.200111L84 T85 L91 M92 D93L84-E89 HydrophobicContact CB-CG 3.77Å; L84-E89 HydrophobicContact CD2-CG 4.17Å; T85-E89 PolarHBondContact O-N 3.14Å; E89-L91 VanDerWaalsContact C-N 3.27Å; E89-L91 PolarHBondContact O-N 3.28Å; E89-M92 PolarHBondContact O-N 2.91Å; E89-M92 VanDerWaalsContact O-N 3.12Å; E89-D93 WeakPolarHBondContact O-CB 3.43Å; E89-D93 VanDerWaalsContact O-CG 3.24Å; E89-D93 PolarHBondContact O-N 2.95Å
90L98.2Very high97Very high122 Ų12283.5 Ų83.564%0.63943%0.428SS*.Hα-helixtrans-62.7-34.5178.8-161.571.7000112.5A86 D88 S94A86-L90 WeakPolarHBondContact O-CB 3.25Å; A86-L90 PolarHBondContact O-N 3.45Å; A86-L90 VanDerWaalsContact O-N 3.07Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-L90 PolarHBondContact O-N 2.95Å; L90-S94 PolarHBondContact O-N 3.29Å; L90-S94 VanDerWaalsContact O-N 3.11Å
91L98.4Very high97.1Very high59 Ų5978.4 Ų78.431%0.30940%0.404SS..Hα-helixtrans-65.6-46.5173.6179.363000111.4K73 D87 D88 E89 S94 F95K73-L91 HydrophobicContact CD-CD2 4.21Å; D87-L91 WeakPolarHBondContact O-CB 3.42Å; D87-L91 PolarHBondContact O-N 3.46Å; D88-L91 WeakPolarHBondContact O-CB 3.15Å; D88-L91 PolarHBondContact O-N 3.32Å; E89-L91 VanDerWaalsContact C-N 3.27Å; E89-L91 PolarHBondContact O-N 3.28Å; L91-S94 PolarHBondContact O-N 3.49Å; L91-S94 PolarHBondContact O-OG 2.89Å; L91-F95 HydrophobicContact CD1-CD2 4.24Å; L91-F95 HydrophobicContact CD1-CE2 3.72Å; L91-F95 HydrophobicContact CG-CE2 4.47Å; L91-F95 WeakPolarHBondContact O-CD2 3.49Å
92M98.6Very high97.4Very high4 Ų471.4 Ų71.42%0.0238%0.376CS..Hα-helixtrans-66.3-41.2179.7-62.2-52.5142.400111.4K73 L74 L77 L84 D88 E89 S94 F95 S96 L97K73-M92 HydrophobicContact CB-CE 4.3Å; K73-M92 HydrophobicContact CD-CE 4.17Å; K73-M92 HydrophobicContact CG-CE 4.39Å; L74-M92 HydrophobicContact CB-CE 4.41Å; L74-M92 HydrophobicContact CB-SD 3.8Å; L74-M92 HydrophobicContact CD1-CG 3.84Å; L74-M92 HydrophobicContact CD1-SD 3.79Å; L74-M92 HydrophobicContact CG-SD 4.26Å; L77-M92 HydrophobicContact CD1-CE 4.2Å; L84-M92 HydrophobicContact CD2-CG 4.29Å; D88-M92 VanDerWaalsContact O-CG 3.29Å; D88-M92 WeakPolarHBondContact O-CG 3.37Å; D88-M92 PolarHBondContact O-N 2.95Å; E89-M92 PolarHBondContact O-N 2.91Å; E89-M92 VanDerWaalsContact O-N 3.12Å; M92-S94 VanDerWaalsContact C-N 3.26Å; M92-S94 PolarHBondContact O-N 3.05Å; M92-F95 CarbonylContact O-C 3.59Å; M92-F95 PolarHBondContact O-N 2.71Å; M92-F95 VanDerWaalsContact O-N 3.1Å; M92-S96 PolarHBondContact O-N 3.45Å; M92-L97 HydrophobicContact CB-CB 4.01Å; M92-L97 WeakPolarHBondContact O-CB 3.37Å; M92-L97 PolarHBondContact O-N 3.38Å; M92-L97 HydrophobicContact SD-CB 4.27Å; M92-L97 HydrophobicContact SD-CD1 3.89Å
93D98.3Very high97.7Very high73 Ų7365.2 Ų65.239%0.3935%0.353SS..Hα-helixtrans-57.9-38.4174-72.60.4000111.8E89 F95 S96 N98E89-D93 WeakPolarHBondContact O-CB 3.43Å; E89-D93 VanDerWaalsContact O-CG 3.24Å; E89-D93 PolarHBondContact O-N 2.95Å; D93-F95 PolarHBondContact O-N 3.34Å; D93-F95 VanDerWaalsContact O-N 3.15Å; D93-S96 PolarHBondContact O-N 2.89Å; D93-S96 VanDerWaalsContact O-N 3.11Å; D93-N98 VanDerWaalsContact CG-ND2 3.29Å; D93-N98 PolarHBondContact OD1-ND2 3.21Å
94S98.6Very high98Very high81 Ų8158.4 Ų58.457%0.56632%0.321SS*.THydrogen-bonded Turntrans-65.3-16.4179.378.90000114.6L90 L91 M92L90-S94 PolarHBondContact O-N 3.29Å; L90-S94 VanDerWaalsContact O-N 3.11Å; L91-S94 PolarHBondContact O-N 3.49Å; L91-S94 PolarHBondContact O-OG 2.89Å; M92-S94 VanDerWaalsContact C-N 3.26Å; M92-S94 PolarHBondContact O-N 3.05Å
95F98.8Very high98.1Very high22 Ų2260.4 Ų60.410%0.09634%0.336CS..THydrogen-bonded Turntrans-113.911.9177.6-68.6-61.1000112.7E66 Y67 A70 L91 M92 D93 L97 S146 A148E66-F95 HydrophobicContact CB-CZ 4.09Å; E66-F95 HydrophobicContact CG-CE1 4.08Å; E66-F95 HydrophobicContact CG-CZ 3.83Å; Y67-F95 HydrophobicContact CD2-CB 3.82Å; Y67-F95 AromaticContact CD2-CD1 3.75Å; Y67-F95 HydrophobicContact CD2-CD1 3.75Å; Y67-F95 AromaticContact CD2-CG 3.88Å; Y67-F95 HydrophobicContact CD2-CG 3.88Å; Y67-F95 HydrophobicContact CE2-CB 4.11Å; Y67-F95 HydrophobicContact CG-CD1 4.4Å; A70-F95 HydrophobicContact CB-CD2 3.43Å; A70-F95 VanDerWaalsContact CB-CD2 3.43Å; A70-F95 HydrophobicContact CB-CE2 3.55Å; A70-F95 HydrophobicContact CB-CG 4.34Å; L91-F95 HydrophobicContact CD1-CD2 4.24Å; L91-F95 HydrophobicContact CD1-CE2 3.72Å; L91-F95 HydrophobicContact CG-CE2 4.47Å; L91-F95 WeakPolarHBondContact O-CD2 3.49Å; M92-F95 CarbonylContact O-C 3.59Å; M92-F95 PolarHBondContact O-N 2.71Å; M92-F95 VanDerWaalsContact O-N 3.1Å; D93-F95 PolarHBondContact O-N 3.34Å; D93-F95 VanDerWaalsContact O-N 3.15Å; F95-L97 HydrophobicContact CB-CD1 3.95Å; F95-L97 HydrophobicContact CB-CG 4.04Å; F95-L97 PolarHBondContact O-N 3.44Å; F95-S146 WeakPolarHBondContact CD1-O 3.38Å; F95-A148 PolarHBondContact O-N 3.11Å
96S98.6Very high98.2Very high35 Ų3558.9 Ų58.925%0.24533%0.328CS..THydrogen-bonded Turntrans55.330.4-174-570000113.4M92 D93 N98 C101 E147 A148M92-S96 PolarHBondContact O-N 3.45Å; D93-S96 PolarHBondContact O-N 2.89Å; D93-S96 VanDerWaalsContact O-N 3.11Å; S96-N98 PolarHBondContact O-N 3.27Å; S96-N98 VanDerWaalsContact O-N 3.12Å; S96-C101 WeakPolarHBondContact O-CB 3.47Å; S96-E147 VanDerWaalsContact OG-CG 3.29Å; S96-E147 WeakPolarHBondContact OG-CG 3.35Å; S96-E147 PolarHBondContact OG-OE1 2.93Å; S96-A148 VanDerWaalsContact CB-O 3.27Å; S96-A148 WeakPolarHBondContact CB-O 3.41Å
97L98.7Very high98.3Very high4 Ų455.1 Ų55.12%0.02130%0.297CS..  trans-8748177.9-70.9171.6000111.7Y67 A70 L71 L74 M92 F95 C101 A148 Y153Y67-L97 HydrophobicContact CE2-CD1 4.15Å; Y67-L97 HydrophobicContact CE2-CD2 4.17Å; Y67-L97 HydrophobicContact CE2-CG 4.19Å; A70-L97 HydrophobicContact CB-CD1 4.18Å; L71-L97 HydrophobicContact CB-CD1 4.45Å; L71-L97 HydrophobicContact CD1-CD1 4.45Å; L71-L97 HydrophobicContact CD1-CD2 3.61Å; L74-L97 HydrophobicContact CD2-CB 3.94Å; L74-L97 HydrophobicContact CD2-CD1 4.3Å; L74-L97 HydrophobicContact CD2-CD2 4.04Å; L74-L97 HydrophobicContact CD2-CG 4.32Å; M92-L97 HydrophobicContact CB-CB 4.01Å; M92-L97 WeakPolarHBondContact O-CB 3.37Å; M92-L97 PolarHBondContact O-N 3.38Å; M92-L97 HydrophobicContact SD-CB 4.27Å; M92-L97 HydrophobicContact SD-CD1 3.89Å; F95-L97 HydrophobicContact CB-CD1 3.95Å; F95-L97 HydrophobicContact CB-CG 4.04Å; F95-L97 PolarHBondContact O-N 3.44Å; L97-C101 CarbonylContact C-O 3.6Å; L97-C101 WeakPolarHBondContact CA-O 3.41Å; L97-A148 HydrophobicContact CD2-CB 3.68Å; L97-A148 HydrophobicContact CG-CB 4.44Å; L97-Y153 HydrophobicContact CD2-CD1 3.78Å; L97-Y153 HydrophobicContact CD2-CE1 4.22Å
98N97.8Very high98.3Very high31 Ų3149.2 Ų49.217%0.16627%0.265CS..SBendtrans-149.2-174.4-176.462.72.2000109.6D93 S96 D100 C101D93-N98 VanDerWaalsContact CG-ND2 3.29Å; D93-N98 PolarHBondContact OD1-ND2 3.21Å; S96-N98 PolarHBondContact O-N 3.27Å; S96-N98 VanDerWaalsContact O-N 3.12Å; N98-D100 PolarHBondContact O-N 3.35Å; N98-C101 PolarHBondContact N-O 2.88Å; N98-C101 CarbonylContact O-C 3.56Å; N98-C101 WeakPolarHBondContact O-CA 3.23Å; N98-C101 PolarHBondContact O-N 2.76Å
99Y97.1Very high98.3Very high197 Ų19751.5 Ų51.577%0.77328%0.277SS*.THydrogen-bonded Turntrans48.8-110.5177.5-56.4-66.5000113.5C101 P102Y99-C101 VanDerWaalsContact C-N 3.26Å; Y99-C101 PolarHBondContact O-N 2.9Å; Y99-P102 WeakPolarHBondContact O-CD 3.28Å
100D97.1Very high98.4Very high97 Ų9747.1 Ų47.152%0.51926%0.256SS..THydrogen-bonded Turntrans-72.7-17.7179.5-68.2-30.1000112.9N98 P102 F151N98-D100 PolarHBondContact O-N 3.35Å; D100-P102 WeakPolarHBondContact O-CD 3.18Å; D100-F151 HydrophobicContact CB-CE1 4.02Å; D100-F151 HydrophobicContact CB-CZ 4.22Å; D100-F151 WeakPolarHBondContact O-CD1 3.39Å; D100-F151 WeakPolarHBondContact O-CE1 3.2Å
101C98.6Very high98.4Very high3 Ų341.5 Ų41.52%0.0223%0.227CC..SBendtrans-115.959.1176.8-65.60000111.3S96 L97 N98 Y99 A148 S149 F151 Y153S96-C101 WeakPolarHBondContact O-CB 3.47Å; L97-C101 CarbonylContact C-O 3.6Å; L97-C101 WeakPolarHBondContact CA-O 3.41Å; N98-C101 PolarHBondContact N-O 2.88Å; N98-C101 CarbonylContact O-C 3.56Å; N98-C101 WeakPolarHBondContact O-CA 3.23Å; N98-C101 PolarHBondContact O-N 2.76Å; Y99-C101 VanDerWaalsContact C-N 3.26Å; Y99-C101 PolarHBondContact O-N 2.9Å; C101-A148 HydrophobicContact CB-CB 3.69Å; C101-S149 PolarHBondContact SG-N 2.87Å; C101-S149 VanDerWaalsContact SG-N 3.44Å; C101-F151 PolarHBondContact SG-N 3.01Å; C101-F151 VanDerWaalsContact SG-N 3.43Å; C101-Y153 HydrophobicContact CB-CD1 4.45Å; C101-Y153 HydrophobicContact CB-CE1 3.86Å
102P98.4Very high98.5Very high50 Ų5039.3 Ų39.333%0.32522%0.215SC..  trans-71.6161.6-174.633.7-37.2000111.8Y99 D100 Y153Y99-P102 WeakPolarHBondContact O-CD 3.28Å; D100-P102 WeakPolarHBondContact O-CD 3.18Å; P102-Y153 WeakPolarHBondContact CD-OH 3.41Å; P102-Y153 PolarHBondContact O-OH 2.76Å
103G98.3Very high98.5Very high13 Ų1339.1 Ų39.113%0.13421%0.214CC..  trans-73.6152165.700000112.6H78H78-G103 PolarHBondContact CE1-O 3.41Å; H78-G103 PolarHBondContact ND1-O 3.07Å; H78-G103 WeakPolarHBondContact NE2-CA 3.28Å
104F98.6Very high98.5Very high13 Ų1335.7 Ų35.76%0.05720%0.196CC..  trans-155.5163.9171.555-89.8000109.2P19 S106 V107 Y110 Y153P19-F104 HydrophobicContact CG-CB 4.49Å; P19-F104 HydrophobicContact CG-CD1 4Å; P19-F104 HydrophobicContact CG-CE1 4.45Å; P19-F104 HydrophobicContact CG-CG 4.28Å; F104-S106 PolarHBondContact O-N 2.78Å; F104-V107 HydrophobicContact CD1-CB 3.79Å; F104-V107 HydrophobicContact CD1-CG2 3.92Å; F104-V107 HydrophobicContact CD2-CB 4.1Å; F104-V107 HydrophobicContact CE1-CB 3.69Å; F104-V107 HydrophobicContact CE1-CG2 3.5Å; F104-V107 VanDerWaalsContact CE1-CG2 3.5Å; F104-V107 VanDerWaalsContact CE2-CA 3.42Å; F104-V107 HydrophobicContact CE2-CB 4Å; F104-V107 HydrophobicContact CG-CB 3.99Å; F104-V107 VanDerWaalsContact CZ-CA 3.5Å; F104-V107 HydrophobicContact CZ-CB 3.81Å; F104-V107 HydrophobicContact CZ-CG2 3.85Å; F104-V107 WeakPolarHBondContact O-CG1 2.73Å; F104-V107 PolarHBondContact O-N 2.92Å; F104-Y110 HydrophobicContact CE2-CD1 4.49Å; F104-Y110 HydrophobicContact CE2-CG 4.21Å; F104-Y110 AromaticContact CZ-CD1 3.79Å; F104-Y110 HydrophobicContact CZ-CD1 3.79Å; F104-Y110 HydrophobicContact CZ-CE1 4.48Å; F104-Y110 AromaticContact CZ-CG 3.95Å; F104-Y110 HydrophobicContact CZ-CG 3.95Å; F104-Y153 HydrophobicContact CE1-CE2 4.17Å; F104-Y153 AromaticContact CE1-CZ 3.98Å
105P98.5Very high98.5Very high82 Ų8231.8 Ų31.853%0.53217%0.169SC..THydrogen-bonded Turntrans-60-9.8-168-2734.9000116.5Q75 C79Q75-P105 WeakPolarHBondContact CG-O 3.28Å; C79-P105 PolarHBondContact SG-O 3.13Å
106S98.8Very high98.5Very high22 Ų2232.2 Ų32.215%0.15417%0.172CC..THydrogen-bonded Turntrans-130.819.1179.2570000113S17 Q75 F104 F108 D109 Y110S17-S106 WeakPolarHBondContact CB-OG 3.29Å; S17-S106 WeakPolarHBondContact OG-CB 3.35Å; S17-S106 PolarHBondContact OG-OG 3.45Å; Q75-S106 VanDerWaalsContact OE1-CA 3.3Å; Q75-S106 PolarHBondContact OE1-O 3.2Å; F104-S106 PolarHBondContact O-N 2.78Å; S106-F108 VanDerWaalsContact C-N 3.33Å; S106-F108 PolarHBondContact O-N 3.37Å; S106-D109 PolarHBondContact O-N 3.46Å; S106-Y110 WeakPolarHBondContact O-CB 3.45Å; S106-Y110 PolarHBondContact O-N 2.88Å
107V98.8Very high98.6Very high0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-58.8-39.2-170.866.20000113.8L71 L74 Q75 F104 S111 Y153L71-V107 HydrophobicContact CD1-CG1 4.41Å; L71-V107 HydrophobicContact CD1-CG2 4.04Å; L74-V107 HydrophobicContact CB-CG1 4.41Å; L74-V107 HydrophobicContact CD2-CG1 4.03Å; L74-V107 HydrophobicContact CG-CG1 4.12Å; Q75-V107 HydrophobicContact CB-CG1 3.91Å; F104-V107 HydrophobicContact CD1-CB 3.79Å; F104-V107 HydrophobicContact CD1-CG2 3.92Å; F104-V107 HydrophobicContact CD2-CB 4.1Å; F104-V107 HydrophobicContact CE1-CB 3.69Å; F104-V107 HydrophobicContact CE1-CG2 3.5Å; F104-V107 VanDerWaalsContact CE1-CG2 3.5Å; F104-V107 VanDerWaalsContact CE2-CA 3.42Å; F104-V107 HydrophobicContact CE2-CB 4Å; F104-V107 HydrophobicContact CG-CB 3.99Å; F104-V107 VanDerWaalsContact CZ-CA 3.5Å; F104-V107 HydrophobicContact CZ-CB 3.81Å; F104-V107 HydrophobicContact CZ-CG2 3.85Å; F104-V107 WeakPolarHBondContact O-CG1 2.73Å; F104-V107 PolarHBondContact O-N 2.92Å; V107-S111 VanDerWaalsContact O-CB 3.27Å; V107-S111 WeakPolarHBondContact O-CB 2.92Å; V107-S111 PolarHBondContact O-N 3.5Å; V107-S111 PolarHBondContact O-OG 2.62Å; V107-Y153 HydrophobicContact CG2-CD1 3.72Å; V107-Y153 HydrophobicContact CG2-CD2 4.38Å; V107-Y153 HydrophobicContact CG2-CE1 3.44Å; V107-Y153 VanDerWaalsContact CG2-CE1 3.44Å; V107-Y153 HydrophobicContact CG2-CE2 4.17Å; V107-Y153 HydrophobicContact CG2-CG 4.18Å
108F98.9Very high98.6Very high8 Ų830.4 Ų30.44%0.03516%0.159CC..Hα-helixtrans-72.3-46.7176.7-178.3-96.6000111.1M55 V68 L71 K72 Q75 S106 S111 L112M55-F108 HydrophobicContact CE-CE1 4.01Å; M55-F108 HydrophobicContact CE-CZ 3.76Å; M55-F108 HydrophobicContact SD-CZ 4.02Å; V68-F108 HydrophobicContact CG1-CE2 3.99Å; V68-F108 HydrophobicContact CG1-CZ 4.44Å; L71-F108 HydrophobicContact CB-CD2 4.24Å; L71-F108 HydrophobicContact CD2-CD2 4Å; L71-F108 HydrophobicContact CG-CB 4.46Å; L71-F108 HydrophobicContact CG-CD2 3.92Å; K72-F108 HydrophobicContact CB-CD2 3.92Å; K72-F108 HydrophobicContact CB-CE2 4.1Å; K72-F108 HydrophobicContact CB-CG 4.25Å; K72-F108 HydrophobicContact CG-CG 4.47Å; Q75-F108 HydrophobicContact CB-CB 3.9Å; S106-F108 VanDerWaalsContact C-N 3.33Å; S106-F108 PolarHBondContact O-N 3.37Å; F108-S111 PolarHBondContact O-N 3.03Å; F108-L112 HydrophobicContact CE1-CD2 3.76Å; F108-L112 HydrophobicContact CZ-CD2 4.21Å; F108-L112 WeakPolarHBondContact O-CB 3.41Å; F108-L112 PolarHBondContact O-N 2.92Å
109D98.9Very high98.6Very high64 Ų6429.1 Ų29.134%0.34215%0.152SC..Hα-helixtrans-67.5-39.2-177.9-64.8-30000112.2L14 Q75 S106 A113L14-D109 HydrophobicContact CD2-CB 3.74Å; Q75-D109 VanDerWaalsContact NE2-CG 3.34Å; Q75-D109 PolarHBondContact NE2-OD2 3.48Å; S106-D109 PolarHBondContact O-N 3.46Å; D109-A113 WeakPolarHBondContact O-CB 3.32Å; D109-A113 PolarHBondContact O-N 3.35Å
110Y98.9Very high98.7Very high10 Ų1020.3 Ų20.34%0.03912%0.12CC..Hα-helixtrans-55.8-52.1171166-98000110.9L14 S18 F21 F104 S106 A113 W140L14-Y110 WeakPolarHBondContact O-CD2 3.5Å; S18-Y110 VanDerWaalsContact CB-CE2 3.47Å; S18-Y110 WeakPolarHBondContact OG-CE2 3.44Å; F21-Y110 VanDerWaalsContact CD2-OH 3.22Å; F21-Y110 WeakPolarHBondContact CD2-OH 3.34Å; F104-Y110 HydrophobicContact CE2-CD1 4.49Å; F104-Y110 HydrophobicContact CE2-CG 4.21Å; F104-Y110 AromaticContact CZ-CD1 3.79Å; F104-Y110 HydrophobicContact CZ-CD1 3.79Å; F104-Y110 HydrophobicContact CZ-CE1 4.48Å; F104-Y110 AromaticContact CZ-CG 3.95Å; F104-Y110 HydrophobicContact CZ-CG 3.95Å; S106-Y110 WeakPolarHBondContact O-CB 3.45Å; S106-Y110 PolarHBondContact O-N 2.88Å; Y110-A113 WeakPolarHBondContact O-CB 3.48Å; Y110-A113 PolarHBondContact O-N 3.23Å; Y110-W140 WeakPolarHBondContact OH-CH2 3.2Å; Y110-W140 WeakPolarHBondContact OH-CZ2 3.05Å
111S98.9Very high98.8Very high3 Ų315.7 Ų15.72%0.02110%0.095CC..Hα-helixtrans-68.4-40.7-176-56.10000111.4V107 F108 A113 A114 Y153V107-S111 VanDerWaalsContact O-CB 3.27Å; V107-S111 WeakPolarHBondContact O-CB 2.92Å; V107-S111 PolarHBondContact O-N 3.5Å; V107-S111 PolarHBondContact O-OG 2.62Å; F108-S111 PolarHBondContact O-N 3.03Å; S111-A113 VanDerWaalsContact C-N 3.32Å; S111-A113 PolarHBondContact O-N 2.83Å; S111-A114 PolarHBondContact O-N 3.33Å; S111-Y153 VanDerWaalsContact OG-CB 3.24Å; S111-Y153 WeakPolarHBondContact OG-CB 3.38Å
112L98.9Very high98.8Very high13 Ų1315.5 Ų15.57%0.0689%0.094CC..Hα-helixtrans-67.3-33.7177.7-171.964000111.4W49 M55 V59 F108 A114 V115 Q116 L154W49-L112 HydrophobicContact CH2-CD1 3.51Å; W49-L112 HydrophobicContact CH2-CD2 4.36Å; W49-L112 HydrophobicContact CH2-CG 3.91Å; W49-L112 HydrophobicContact CZ3-CD1 3.86Å; W49-L112 HydrophobicContact CZ3-CD2 3.84Å; W49-L112 HydrophobicContact CZ3-CG 3.84Å; M55-L112 HydrophobicContact CE-CD2 4.47Å; M55-L112 HydrophobicContact CG-CD1 4.12Å; M55-L112 HydrophobicContact CG-CD2 3.89Å; M55-L112 HydrophobicContact SD-CD1 4.1Å; M55-L112 HydrophobicContact SD-CD2 4.07Å; V59-L112 HydrophobicContact CG2-CD1 3.55Å; F108-L112 HydrophobicContact CE1-CD2 3.76Å; F108-L112 HydrophobicContact CZ-CD2 4.21Å; F108-L112 WeakPolarHBondContact O-CB 3.41Å; F108-L112 PolarHBondContact O-N 2.92Å; L112-A114 PolarHBondContact O-N 3.33Å; L112-V115 HydrophobicContact CD1-CB 4.46Å; L112-V115 WeakPolarHBondContact O-CB 3.42Å; L112-V115 PolarHBondContact O-N 3.38Å; L112-V115 VanDerWaalsContact O-N 3.13Å; L112-Q116 HydrophobicContact CG-CG 4.46Å; L112-Q116 WeakPolarHBondContact O-CG 3.28Å; L112-Q116 PolarHBondContact O-N 3.36Å; L112-L154 HydrophobicContact CB-CD1 4.44Å; L112-L154 HydrophobicContact CD1-CD1 4.36Å
113A98.9Very high98.8Very high0 Ų014.7 Ų14.70%09%0.089CC..Hα-helixtrans-56.2-49.6175.900000111Y11 L14 D109 Y110 S111 V115 Q116 G117Y11-A113 HydrophobicContact CD2-CB 4.13Å; Y11-A113 HydrophobicContact CE2-CB 3.98Å; Y11-A113 VanDerWaalsContact CE2-O 3.26Å; Y11-A113 WeakPolarHBondContact CE2-O 3.46Å; L14-A113 HydrophobicContact CB-CB 3.84Å; L14-A113 HydrophobicContact CD1-CB 3.98Å; D109-A113 WeakPolarHBondContact O-CB 3.32Å; D109-A113 PolarHBondContact O-N 3.35Å; Y110-A113 WeakPolarHBondContact O-CB 3.48Å; Y110-A113 PolarHBondContact O-N 3.23Å; S111-A113 VanDerWaalsContact C-N 3.32Å; S111-A113 PolarHBondContact O-N 2.83Å; A113-V115 PolarHBondContact O-N 3.42Å; A113-Q116 WeakPolarHBondContact O-CA 3.17Å; A113-Q116 WeakPolarHBondContact O-CB 3.17Å; A113-Q116 PolarHBondContact O-N 3.26Å; A113-G117 PolarHBondContact O-N 3.43Å
114A98.9Very high98.8Very high1 Ų114.5 Ų14.51%0.0089%0.087CC..Hα-helixtrans-52.8-44.3176.600000112.3S111 L112 G117 S118 G137 W140 D156S111-A114 PolarHBondContact O-N 3.33Å; L112-A114 PolarHBondContact O-N 3.33Å; A114-G117 PolarHBondContact O-N 3.41Å; A114-S118 PolarHBondContact O-N 2.91Å; A114-S118 PolarHBondContact O-OG 3.4Å; A114-G137 WeakPolarHBondContact CB-O 3.29Å; A114-W140 VanDerWaalsContact CB-NE1 3.26Å; A114-D156 HydrophobicContact CB-CB 4.11Å
115V98.9Very high98.8Very high0 Ų013.9 Ų13.90%08%0.084CC..Hα-helixtrans-60.7-45.8174.4177.80000111.8L112 A113 G117 S118 L119 L154 D156 L159L112-V115 HydrophobicContact CD1-CB 4.46Å; L112-V115 WeakPolarHBondContact O-CB 3.42Å; L112-V115 PolarHBondContact O-N 3.38Å; L112-V115 VanDerWaalsContact O-N 3.13Å; A113-V115 PolarHBondContact O-N 3.42Å; V115-G117 VanDerWaalsContact C-N 3.31Å; V115-G117 PolarHBondContact O-N 3.17Å; V115-S118 PolarHBondContact O-N 3.15Å; V115-L119 HydrophobicContact CG1-CD1 3.64Å; V115-L119 HydrophobicContact CG1-CG 4.05Å; V115-L119 VanDerWaalsContact O-CB 3.27Å; V115-L119 WeakPolarHBondContact O-CB 3.31Å; V115-L119 VanDerWaalsContact O-CG 3.25Å; V115-L119 WeakPolarHBondContact O-CG 3.13Å; V115-L119 PolarHBondContact O-N 2.78Å; V115-L154 HydrophobicContact CG2-CB 3.77Å; V115-L154 HydrophobicContact CG2-CD1 4.17Å; V115-D156 HydrophobicContact CG2-CB 4.11Å; V115-L159 HydrophobicContact CB-CD1 4.36Å; V115-L159 HydrophobicContact CG1-CD1 3.51Å; V115-L159 HydrophobicContact CG2-CD1 3.87Å
116Q98.9Very high98.8Very high31 Ų3112.5 Ų12.515%0.1457%0.071CC..Hα-helixtrans-57.7-45.1177.1-67.3175.9-48.800111.7P46 L47 W49 L112 A113 A120P46-Q116 HydrophobicContact CB-CB 3.78Å; L47-Q116 WeakPolarHBondContact CB-O 3.39Å; L47-Q116 PolarHBondContact N-O 3.43Å; L47-Q116 VanDerWaalsContact O-CB 3.27Å; L47-Q116 WeakPolarHBondContact O-CB 3.49Å; L47-Q116 WeakPolarHBondContact O-CG 3.39Å; L47-Q116 PolarHBondContact O-NE2 3.33Å; W49-Q116 HydrophobicContact CH2-CG 3.4Å; W49-Q116 VanDerWaalsContact CH2-CG 3.4Å; W49-Q116 HydrophobicContact CZ2-CG 4.42Å; W49-Q116 HydrophobicContact CZ3-CG 3.45Å; W49-Q116 VanDerWaalsContact CZ3-CG 3.45Å; L112-Q116 HydrophobicContact CG-CG 4.46Å; L112-Q116 WeakPolarHBondContact O-CG 3.28Å; L112-Q116 PolarHBondContact O-N 3.36Å; A113-Q116 WeakPolarHBondContact O-CA 3.17Å; A113-Q116 WeakPolarHBondContact O-CB 3.17Å; A113-Q116 PolarHBondContact O-N 3.26Å; Q116-A120 WeakPolarHBondContact O-CB 3.41Å; Q116-A120 PolarHBondContact O-N 2.74Å; Q116-A120 VanDerWaalsContact O-N 3.13Å
117G98.9Very high98.7Very high0 Ų015.6 Ų15.60%09%0.092CC..Hα-helixtrans-62.8-53.2178.700000112.1A113 A114 V115 L119 A120 A121A113-G117 PolarHBondContact O-N 3.43Å; A114-G117 PolarHBondContact O-N 3.41Å; V115-G117 VanDerWaalsContact C-N 3.31Å; V115-G117 PolarHBondContact O-N 3.17Å; G117-L119 PolarHBondContact O-N 2.75Å; G117-A120 PolarHBondContact O-N 3.25Å; G117-A121 WeakPolarHBondContact O-CB 3.45Å; G117-A121 PolarHBondContact O-N 3.34Å
118S98.9Very high98.7Very high0 Ų023.1 Ų23.10%012%0.121CC..Hα-helixtrans-71.1-32.2-175.3-62.30000113A114 V115 A121 A122 N135 D156A114-S118 PolarHBondContact O-N 2.91Å; A114-S118 PolarHBondContact O-OG 3.4Å; V115-S118 PolarHBondContact O-N 3.15Å; S118-A121 PolarHBondContact O-N 3.28Å; S118-A122 WeakPolarHBondContact O-CB 3.24Å; S118-A122 PolarHBondContact O-N 2.6Å; S118-N135 PolarHBondContact N-ND2 3.28Å; S118-N135 PolarHBondContact OG-ND2 3.02Å; S118-D156 WeakPolarHBondContact CB-OD2 3.19Å; S118-D156 PolarHBondContact OG-OD2 2.66Å
119L98.9Very high98.7Very high5 Ų528 Ų283%0.02614%0.143CC..Hα-helixtrans-67.5-39.3171.1-72.8179.4000112.7L47 W49 A58 V115 G117 S123 L159 R163L47-L119 HydrophobicContact CB-CB 4.48Å; L47-L119 HydrophobicContact CD2-CB 3.91Å; L47-L119 HydrophobicContact CD2-CD1 4.02Å; W49-L119 HydrophobicContact CZ2-CD1 4.13Å; A58-L119 HydrophobicContact CB-CD1 4.42Å; V115-L119 HydrophobicContact CG1-CD1 3.64Å; V115-L119 HydrophobicContact CG1-CG 4.05Å; V115-L119 VanDerWaalsContact O-CB 3.27Å; V115-L119 WeakPolarHBondContact O-CB 3.31Å; V115-L119 VanDerWaalsContact O-CG 3.25Å; V115-L119 WeakPolarHBondContact O-CG 3.13Å; V115-L119 PolarHBondContact O-N 2.78Å; G117-L119 PolarHBondContact O-N 2.75Å; L119-S123 WeakPolarHBondContact O-CB 3.21Å; L119-S123 PolarHBondContact O-N 3.13Å; L119-S123 PolarHBondContact O-OG 3.12Å; L119-L159 HydrophobicContact CD2-CB 4.14Å; L119-L159 WeakPolarHBondContact CD2-O 3.26Å; L119-R163 HydrophobicContact CD2-CB 4.24Å
120A98.9Very high98.6Very high11 Ų1125.1 Ų25.19%0.09113%0.128CC..Hα-helixtrans-66.2-41.7174.400000111.4V44 P45 L47 Q116 G117 S123 A124V44-A120 HydrophobicContact CG1-CB 3.9Å; P45-A120 WeakPolarHBondContact O-CB 3.29Å; L47-A120 HydrophobicContact CB-CB 4.23Å; Q116-A120 WeakPolarHBondContact O-CB 3.41Å; Q116-A120 PolarHBondContact O-N 2.74Å; Q116-A120 VanDerWaalsContact O-N 3.13Å; G117-A120 PolarHBondContact O-N 3.25Å; A120-S123 WeakPolarHBondContact O-CB 3.35Å; A120-S123 PolarHBondContact O-N 3.17Å; A120-S123 VanDerWaalsContact O-N 3.15Å; A120-A124 PolarHBondContact O-N 2.78Å
121A98.9Very high98.6Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-59.5-48.9175.600000112V6 G117 S118 S123 A124 L125 V133 L334V6-A121 HydrophobicContact CG2-CB 4.07Å; G117-A121 WeakPolarHBondContact O-CB 3.45Å; G117-A121 PolarHBondContact O-N 3.34Å; S118-A121 PolarHBondContact O-N 3.28Å; A121-S123 VanDerWaalsContact C-N 3.27Å; A121-S123 PolarHBondContact O-N 2.96Å; A121-A124 PolarHBondContact O-N 3.4Å; A121-L125 PolarHBondContact O-N 3.05Å; A121-L125 VanDerWaalsContact O-N 3.16Å; A121-V133 HydrophobicContact CB-CB 3.91Å; A121-V133 HydrophobicContact CB-CG1 3.42Å; A121-V133 VanDerWaalsContact CB-CG1 3.42Å; A121-L334 HydrophobicContact CB-CD1 3.48Å; A121-L334 VanDerWaalsContact CB-CD1 3.48Å
122A98.8Very high98.6Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-57.3-40.6173.400000112.3S118 L125 I126 A160 R163 L164S118-A122 WeakPolarHBondContact O-CB 3.24Å; S118-A122 PolarHBondContact O-N 2.6Å; A122-L125 PolarHBondContact O-N 2.79Å; A122-I126 WeakPolarHBondContact O-CD1 3.49Å; A122-I126 VanDerWaalsContact O-CG1 3.26Å; A122-I126 WeakPolarHBondContact O-CG1 3.11Å; A122-I126 PolarHBondContact O-N 3.47Å; A122-A160 HydrophobicContact CB-CB 4.24Å; A122-R163 HydrophobicContact CB-CB 4.45Å; A122-R163 HydrophobicContact CB-CG 4.28Å; A122-L164 HydrophobicContact CB-CD2 3.86Å; A122-L164 HydrophobicContact CB-CG 3.94Å
123S98.7Very high98.6Very high32 Ų3227.5 Ų27.522%0.22414%0.139CC..Hα-helixtrans-65.5-39.8178.9-55.70000112.3L119 A120 A121 L125 I126 C127 R163L119-S123 WeakPolarHBondContact O-CB 3.21Å; L119-S123 PolarHBondContact O-N 3.13Å; L119-S123 PolarHBondContact O-OG 3.12Å; A120-S123 WeakPolarHBondContact O-CB 3.35Å; A120-S123 PolarHBondContact O-N 3.17Å; A120-S123 VanDerWaalsContact O-N 3.15Å; A121-S123 VanDerWaalsContact C-N 3.27Å; A121-S123 PolarHBondContact O-N 2.96Å; S123-L125 VanDerWaalsContact C-N 3.31Å; S123-L125 PolarHBondContact O-N 3.4Å; S123-I126 PolarHBondContact O-N 3.44Å; S123-C127 PolarHBondContact O-N 2.62Å; S123-C127 PolarHBondContact O-SG 2.68Å; S123-R163 WeakPolarHBondContact OG-CD 3.25Å; S123-R163 PolarHBondContact OG-NH1 2.79Å
124A98.7Very high98.6Very high9 Ų927.5 Ų27.57%0.07414%0.139CC..Hα-helixtrans-65.6-32.2176.800000113V44 A120 A121 R128 H129 C130 V133V44-A124 HydrophobicContact CG1-CB 4.37Å; V44-A124 HydrophobicContact CG2-CB 4.29Å; A120-A124 PolarHBondContact O-N 2.78Å; A121-A124 PolarHBondContact O-N 3.4Å; A124-R128 PolarHBondContact O-N 2.62Å; A124-H129 PolarHBondContact O-N 3.35Å; A124-C130 PolarHBondContact O-N 3.47Å; A124-V133 HydrophobicContact CB-CG2 3.98Å
125L98.5Very high98.6Very high0 Ų027.4 Ų27.40%014%0.139CC..Hα-helixtrans-70.8-45.9171.3-64.3176.7000111.7A121 A122 S123 C127 R128 E131 V133 L164 Y277 P332 L334A121-L125 PolarHBondContact O-N 3.05Å; A121-L125 VanDerWaalsContact O-N 3.16Å; A122-L125 PolarHBondContact O-N 2.79Å; S123-L125 VanDerWaalsContact C-N 3.31Å; S123-L125 PolarHBondContact O-N 3.4Å; L125-C127 PolarHBondContact O-N 3.41Å; L125-R128 PolarHBondContact O-N 3.06Å; L125-R128 VanDerWaalsContact O-N 3.13Å; L125-E131 WeakPolarHBondContact CD2-O 3.49Å; L125-V133 HydrophobicContact CD2-CG2 3.88Å; L125-V133 HydrophobicContact CG-CG2 4.02Å; L125-L164 HydrophobicContact CB-CD2 4.44Å; L125-Y277 HydrophobicContact CB-CD1 4.35Å; L125-Y277 HydrophobicContact CB-CE1 4.15Å; L125-P332 HydrophobicContact CD2-CB 4.26Å; L125-L334 HydrophobicContact CD1-CB 3.88Å
126I97.7Very high98.6Very high53 Ų5327.6 Ų27.627%0.27214%0.139SC..Hα-helixtrans-60.8-45.9179.9-69.9160.7000111.1A122 S123 R128 R163 L164A122-I126 WeakPolarHBondContact O-CD1 3.49Å; A122-I126 VanDerWaalsContact O-CG1 3.26Å; A122-I126 WeakPolarHBondContact O-CG1 3.11Å; A122-I126 PolarHBondContact O-N 3.47Å; S123-I126 PolarHBondContact O-N 3.44Å; I126-R128 PolarHBondContact O-N 3.42Å; I126-R163 HydrophobicContact CD1-CG 3.69Å; I126-L164 HydrophobicContact CD1-CD2 4.05Å; I126-L164 HydrophobicContact CG1-CD2 3.84Å
127C97.5Very high98.6Very high87 Ų8726.4 Ų26.459%0.58814%0.135SC*.THydrogen-bonded Turntrans-79.52.6179.674.80000113.8S123 L125 H129S123-C127 PolarHBondContact O-N 2.62Å; S123-C127 PolarHBondContact O-SG 2.68Å; L125-C127 PolarHBondContact O-N 3.41Å; C127-H129 PolarHBondContact O-N 2.86Å
128R97.8Very high98.6Very high159 Ų15926.4 Ų26.460%0.614%0.135SC*.THydrogen-bonded Turntrans61.520.2178.2-49.7-63.1176.9169.9-4.8114.5A124 L125 I126 C130A124-R128 PolarHBondContact O-N 2.62Å; L125-R128 PolarHBondContact O-N 3.06Å; L125-R128 VanDerWaalsContact O-N 3.13Å; I126-R128 PolarHBondContact O-N 3.42Å; R128-C130 VanDerWaalsContact C-N 3.26Å
129H98.3Very high98.6Very high109 Ų10926.4 Ų26.451%0.50514%0.136SC..SBendtrans-69-29.8172-174.670.4000111.5S2 S42 A124 C127S2-H129 WeakPolarHBondContact CB-O 3.38Å; S2-H129 PolarHBondContact OG-O 3.39Å; S42-H129 PolarHBondContact OG-NE2 2.91Å; A124-H129 PolarHBondContact O-N 3.35Å; C127-H129 PolarHBondContact O-N 2.86Å
130C98.6Very high98.6Very high4 Ų426.9 Ų26.93%0.02714%0.137CC..  trans-131148175-64.80000110.6A124 R128 V133A124-C130 PolarHBondContact O-N 3.47Å; R128-C130 VanDerWaalsContact C-N 3.26Å; C130-V133 HydrophobicContact CB-CG2 3.48Å; C130-V133 VanDerWaalsContact CB-CG2 3.48Å
131E98.6Very high98.6Very high72 Ų7226.5 Ų26.534%0.33613%0.134SC..SBendtrans-87.9-34.9168.3-77.2154.8100.600111.2M1 S2 L125 P332 T333 V361M1-E131 VanDerWaalsContact C-OE2 3.23Å; M1-E131 WeakPolarHBondContact CA-OE2 3.24Å; M1-E131 WeakPolarHBondContact CB-OE2 3.45Å; M1-E131 VanDerWaalsContact CG-OE1 3.28Å; M1-E131 WeakPolarHBondContact CG-OE1 3.47Å; M1-E131 WeakPolarHBondContact CG-OE2 3.46Å; S2-E131 PolarHBondContact N-OE2 3.03Å; S2-E131 PolarHBondContact O-N 3.12Å; L125-E131 WeakPolarHBondContact CD2-O 3.49Å; E131-P332 CarbonylContact O-C 3.39Å; E131-P332 WeakPolarHBondContact O-CA 3.45Å; E131-T333 PolarHBondContact O-N 3.04Å; E131-V361 HydrophobicContact CB-CG1 4.22Å
132V98.9Very high98.6Very high4 Ų426.9 Ų26.92%0.02414%0.135CC..EExtended strand (participates in β ladder)trans-129.3140.1172.9-178.30000108.5S2 V3 G4 L327 T333 I335 T357 V361S2-V132 PolarHBondContact O-N 2.95Å; V3-V132 CarbonylContact C-O 3.59Å; V3-V132 WeakPolarHBondContact CA-O 3.36Å; G4-V132 PolarHBondContact N-O 3.34Å; V132-L327 HydrophobicContact CG1-CD2 4.45Å; V132-L327 HydrophobicContact CG2-CD2 3.63Å; V132-T333 CarbonylContact C-O 3.49Å; V132-T333 WeakPolarHBondContact CA-O 3.49Å; V132-T333 WeakPolarHBondContact CG1-O 3.44Å; V132-I335 HydrophobicContact CG1-CD1 3.87Å; V132-I335 HydrophobicContact CG1-CG1 4.12Å; V132-T357 HydrophobicContact CB-CG2 4.07Å; V132-T357 HydrophobicContact CG1-CG2 3.63Å; V132-T357 HydrophobicContact CG2-CG2 4.42Å; V132-V361 HydrophobicContact CB-CG2 4.29Å; V132-V361 HydrophobicContact CG2-CG2 3.53Å
133V98.9Very high98.6Very high0 Ų026.9 Ų26.90%014%0.135CC..EExtended strand (participates in β ladder)trans-126.7136.1168.4-173.80000109.4G4 V6 V44 A121 A124 L125 C130 T333 L334 I335G4-V133 CarbonylContact O-C 3.57Å; G4-V133 WeakPolarHBondContact O-CA 3.41Å; V6-V133 HydrophobicContact CG2-CG1 4.22Å; V44-V133 HydrophobicContact CB-CG1 4.36Å; V44-V133 HydrophobicContact CG2-CG1 3.86Å; V44-V133 HydrophobicContact CG2-CG2 4.42Å; A121-V133 HydrophobicContact CB-CB 3.91Å; A121-V133 HydrophobicContact CB-CG1 3.42Å; A121-V133 VanDerWaalsContact CB-CG1 3.42Å; A124-V133 HydrophobicContact CB-CG2 3.98Å; L125-V133 HydrophobicContact CD2-CG2 3.88Å; L125-V133 HydrophobicContact CG-CG2 4.02Å; C130-V133 HydrophobicContact CB-CG2 3.48Å; C130-V133 VanDerWaalsContact CB-CG2 3.48Å; V133-T333 PolarHBondContact N-O 3.48Å; V133-L334 HydrophobicContact CB-CD1 4.41Å; V133-L334 WeakPolarHBondContact O-CA 3.47Å; V133-L334 WeakPolarHBondContact O-CD1 3.34Å; V133-I335 PolarHBondContact O-N 3.31Å
134I99Very high98.6Very high0 Ų026.3 Ų26.30%013%0.129CC..EExtended strand (participates in β ladder)trans-106.1133.8178.4-59.1173000109.3V3 G4 I5 V6 W136 I335 T354 T357V3-I134 HydrophobicContact CG1-CD1 4.18Å; G4-I134 PolarHBondContact O-N 2.82Å; I5-I134 CarbonylContact C-O 3.54Å; I5-I134 WeakPolarHBondContact CA-O 3.34Å; I5-I134 HydrophobicContact CB-CB 4.37Å; I5-I134 HydrophobicContact CD1-CB 4.36Å; I5-I134 HydrophobicContact CD1-CG2 4.18Å; I5-I134 HydrophobicContact CG1-CB 4.03Å; I5-I134 HydrophobicContact CG1-CG2 4.19Å; V6-I134 PolarHBondContact N-O 2.93Å; I134-W136 HydrophobicContact CG2-CD2 3.66Å; I134-W136 HydrophobicContact CG2-CE3 4.3Å; I134-W136 HydrophobicContact CG2-CG 4.01Å; I134-W136 HydrophobicContact CG2-CH2 4.22Å; I134-W136 HydrophobicContact CG2-CZ2 3.57Å; I134-I335 CarbonylContact C-O 3.55Å; I134-I335 VanDerWaalsContact CA-O 3.28Å; I134-I335 WeakPolarHBondContact CA-O 3.36Å; I134-I335 HydrophobicContact CG1-CB 4.25Å; I134-I335 HydrophobicContact CG1-CD1 4.48Å; I134-T354 HydrophobicContact CD1-CG2 4.14Å; I134-T357 HydrophobicContact CD1-CG2 4.24Å
135N98.9Very high98.6Very high0 Ų032.5 Ų32.50%015%0.15CC..EExtended strand (participates in β ladder)trans-133.393168.5-179.118.8000111.3V6 Y11 S118 G137 G138 I335 L336 G337V6-N135 HydrophobicContact CB-CB 4.11Å; V6-N135 HydrophobicContact CG2-CB 3.88Å; Y11-N135 PolarHBondContact OH-ND2 2.86Å; Y11-N135 PolarHBondContact OH-OD1 3.38Å; S118-N135 PolarHBondContact N-ND2 3.28Å; S118-N135 PolarHBondContact OG-ND2 3.02Å; N135-G137 PolarHBondContact O-N 3.48Å; N135-G137 PolarHBondContact OD1-N 2.91Å; N135-G138 PolarHBondContact O-N 3.19Å; N135-I335 PolarHBondContact N-O 2.99Å; N135-L336 HydrophobicContact CB-CD2 3.75Å; N135-L336 WeakPolarHBondContact O-CA 3.36Å; N135-G337 PolarHBondContact O-N 3.41Å
136W98.9Very high98.6Very high3 Ų334.1 Ų34.11%0.01116%0.162CC..THydrogen-bonded Turntrans-71.8-7.6176.3-62.3136.8000114.4Y25 V28 I134 C282 I335 L336 W350 V353 T354Y25-W136 HydrophobicContact CD2-CB 4.44Å; Y25-W136 HydrophobicContact CE2-CB 4.38Å; V28-W136 HydrophobicContact CG1-CB 3.97Å; V28-W136 VanDerWaalsContact CG1-CD1 3.46Å; V28-W136 HydrophobicContact CG1-CG 3.8Å; I134-W136 HydrophobicContact CG2-CD2 3.66Å; I134-W136 HydrophobicContact CG2-CE3 4.3Å; I134-W136 HydrophobicContact CG2-CG 4.01Å; I134-W136 HydrophobicContact CG2-CH2 4.22Å; I134-W136 HydrophobicContact CG2-CZ2 3.57Å; W136-C282 HydrophobicContact CZ3-CB 4.24Å; W136-I335 HydrophobicContact CH2-CG2 3.67Å; W136-I335 HydrophobicContact CZ3-CG2 3.99Å; W136-L336 VanDerWaalsContact CZ3-O 3.31Å; W136-L336 WeakPolarHBondContact CZ3-O 3.39Å; W136-W350 HydrophobicContact CB-CE3 3.84Å; W136-W350 HydrophobicContact CB-CZ3 3.98Å; W136-W350 HydrophobicContact CD2-CB 3.95Å; W136-W350 AromaticContact CD2-CD2 3.78Å; W136-W350 HydrophobicContact CD2-CD2 3.78Å; W136-W350 AromaticContact CD2-CE3 3.79Å; W136-W350 HydrophobicContact CD2-CE3 3.79Å; W136-W350 AromaticContact CD2-CG 3.87Å; W136-W350 HydrophobicContact CD2-CG 3.87Å; W136-W350 AromaticContact CE2-CG 3.99Å; W136-W350 HydrophobicContact CE3-CB 4.27Å; W136-W350 AromaticContact CE3-CD2 3.44Å; W136-W350 HydrophobicContact CE3-CD2 3.44Å; W136-W350 VanDerWaalsContact CE3-CD2 3.44Å; W136-W350 AromaticContact CE3-CE2 3.73Å; W136-W350 AromaticContact CE3-CE3 3.74Å; W136-W350 HydrophobicContact CE3-CE3 3.74Å; W136-W350 AromaticContact CE3-CG 3.69Å; W136-W350 HydrophobicContact CE3-CG 3.69Å; W136-W350 HydrophobicContact CE3-CZ2 4.3Å; W136-W350 HydrophobicContact CE3-CZ3 4.28Å; W136-W350 HydrophobicContact CG-CD2 4.32Å; W136-W350 AromaticContact CG-CE3 3.85Å; W136-W350 HydrophobicContact CG-CE3 3.85Å; W136-W350 HydrophobicContact CG-CZ3 4.46Å; W136-W350 HydrophobicContact CH2-CB 4.17Å; W136-W350 AromaticContact CH2-CD1 3.77Å; W136-W350 HydrophobicContact CH2-CD2 4.5Å; W136-W350 AromaticContact CH2-CG 3.9Å; W136-W350 HydrophobicContact CH2-CG 3.9Å; W136-W350 HydrophobicContact CZ2-CB 3.8Å; W136-W350 HydrophobicContact CZ2-CG 4.04Å; W136-W350 HydrophobicContact CZ3-CB 4.38Å; W136-W350 AromaticContact CZ3-CD1 3.6Å; W136-W350 AromaticContact CZ3-CD2 3.85Å; W136-W350 HydrophobicContact CZ3-CD2 3.85Å; W136-W350 AromaticContact CZ3-CE2 3.88Å; W136-W350 AromaticContact CZ3-CG 3.72Å; W136-W350 HydrophobicContact CZ3-CG 3.72Å; W136-W350 AromaticContact CZ3-NE1 3.69Å; W136-V353 HydrophobicContact CH2-CB 4.08Å; W136-V353 HydrophobicContact CH2-CG1 3.71Å; W136-V353 HydrophobicContact CZ2-CB 4.11Å; W136-V353 HydrophobicContact CZ2-CG1 3.96Å; W136-T354 PolarHBondContact NE1-OG1 2.89Å; W136-T354 VanDerWaalsContact NE1-OG1 3.11Å
137G98.8Very high98.7Very high6 Ų635.6 Ų35.66%0.06217%0.167CC..THydrogen-bonded Turntrans-93.6-2173.600000114.3Y11 A114 N135 W140Y11-G137 WeakPolarHBondContact OH-CA 3.33Å; A114-G137 WeakPolarHBondContact CB-O 3.29Å; N135-G137 PolarHBondContact O-N 3.48Å; N135-G137 PolarHBondContact OD1-N 2.91Å; G137-W140 PolarHBondContact O-NE1 2.89Å
138G98.8Very high98.7Very high0 Ų031.5 Ų31.50%014%0.14CC..  trans-113.1-170.6175.700000112.8N135 D156 G337 G338N135-G138 PolarHBondContact O-N 3.19Å; G138-D156 WeakPolarHBondContact CA-OD2 3.3Å; G138-G337 CarbonylContact O-C 3.36Å; G138-G337 VanDerWaalsContact O-CA 3.31Å; G138-G337 WeakPolarHBondContact O-CA 3.38Å; G138-G337 PolarHBondContact O-N 3.4Å; G138-G337 VanDerWaalsContact O-N 3.15Å; G138-G338 PolarHBondContact O-N 3.06Å
139G98.8Very high98.8Very high1 Ų124.8 Ų24.81%0.0112%0.117CC..  trans108.526.818000000114.6H141 D156 Q281G139-H141 PolarHBondContact O-N 3.41Å; G139-D156 PolarHBondContact N-OD1 2.99Å; G139-D156 VanDerWaalsContact N-OD1 3.11Å; G139-D156 PolarHBondContact N-OD2 3.07Å; G139-D156 VanDerWaalsContact N-OD2 3.1Å; G139-Q281 PolarHBondContact O-NE2 2.85Å
140W98.8Very high98.7Very high14 Ų1420.1 Ų20.15%0.05310%0.099CC..  trans-87.672.1-172-54.3119.2000112.6F21 Y110 A114 G137 H142 C152 D156F21-W140 HydrophobicContact CD1-CH2 4.34Å; F21-W140 AromaticContact CD2-CH2 3.64Å; F21-W140 HydrophobicContact CD2-CH2 3.64Å; F21-W140 HydrophobicContact CD2-CZ3 4.16Å; F21-W140 HydrophobicContact CE1-CH2 4.1Å; F21-W140 HydrophobicContact CE1-CZ3 4.14Å; F21-W140 HydrophobicContact CE2-CE3 4.46Å; F21-W140 AromaticContact CE2-CH2 3.36Å; F21-W140 HydrophobicContact CE2-CH2 3.36Å; F21-W140 HydrophobicContact CE2-CZ2 4.45Å; F21-W140 AromaticContact CE2-CZ3 3.38Å; F21-W140 HydrophobicContact CE2-CZ3 3.38Å; F21-W140 HydrophobicContact CG-CH2 4.12Å; F21-W140 AromaticContact CZ-CH2 3.61Å; F21-W140 HydrophobicContact CZ-CH2 3.61Å; F21-W140 AromaticContact CZ-CZ3 3.37Å; F21-W140 HydrophobicContact CZ-CZ3 3.37Å; Y110-W140 WeakPolarHBondContact OH-CH2 3.2Å; Y110-W140 WeakPolarHBondContact OH-CZ2 3.05Å; A114-W140 VanDerWaalsContact CB-NE1 3.26Å; G137-W140 PolarHBondContact O-NE1 2.89Å; W140-H142 VanDerWaalsContact C-N 3.32Å; W140-H142 PolarHBondContact O-N 2.79Å; W140-C152 VanDerWaalsContact C-SG 3.59Å; W140-C152 VanDerWaalsContact CA-SG 3.57Å; W140-C152 HydrophobicContact CB-CB 3.84Å; W140-D156 PolarHBondContact N-OD1 3.3Å
141H98.8Very high98.7Very high4 Ų421.8 Ų21.82%0.01911%0.106CC..THydrogen-bonded Turntrans-70.9-14.2-167.463177.9000116.7G139 N155 I157 D184 D186 G190 G192 V193G139-H141 PolarHBondContact O-N 3.41Å; H141-N155 PolarHBondContact O-ND2 3.46Å; H141-I157 HydrophobicContact CB-CD1 3.55Å; H141-D184 IonicContact CE1-OD1 3.56Å; H141-D184 IonicContact CE1-OD2 2.69Å; H141-D184 IonicContact CG-OD2 2.66Å; H141-D184 IonicContact ND1-OD1 2.89Å; H141-D184 PolarHBondContact ND1-OD1 3.3Å; H141-D184 IonicContact ND1-OD2 3.7Å; H141-D184 PolarHBondContact ND1-OD2 2.98Å; H141-D186 VanDerWaalsContact CE1-CB 3.42Å; H141-D186 WeakPolarHBondContact CE1-CB 3.08Å; H141-D186 IonicContact CE1-OD1 3.84Å; H141-D186 IonicContact CE1-OD2 3.46Å; H141-D186 IonicContact NE2-OD1 3.17Å; H141-G190 WeakPolarHBondContact ND1-CA 3.47Å; H141-G192 CarbonylContact O-C 3.56Å; H141-G192 WeakPolarHBondContact O-CA 3.33Å; H141-G192 PolarHBondContact O-N 3.28Å; H141-G192 VanDerWaalsContact O-N 3.08Å; H141-V193 HydrophobicContact CB-CG2 3.87Å; H141-V193 PolarHBondContact O-N 3.27Å
142H98.8Very high98.7Very high8 Ų818.5 Ų18.54%0.0379%0.091CC..THydrogen-bonded Turntrans-89.2-20.6-174.4-64.6-51000114.2W140 K144 S149 C152 H189 D191 F216W140-H142 VanDerWaalsContact C-N 3.32Å; W140-H142 PolarHBondContact O-N 2.79Å; H142-K144 WeakPolarHBondContact O-CD 3.33Å; H142-K144 PolarHBondContact O-N 2.98Å; H142-K144 PolarHBondContact O-NZ 3.34Å; H142-S149 VanDerWaalsContact CB-O 3.24Å; H142-S149 WeakPolarHBondContact CB-O 3.47Å; H142-S149 WeakPolarHBondContact O-CB 3.46Å; H142-C152 HydrophobicContact CB-CB 3.96Å; H142-H189 PolarHBondContact CE1-O 2.75Å; H142-H189 VanDerWaalsContact CE1-O 3.22Å; H142-D191 WeakPolarHBondContact CA-OD1 3.15Å; H142-D191 IonicContact CE1-OD1 3.8Å; H142-D191 IonicContact CG-OD1 3.95Å; H142-D191 IonicContact ND1-OD1 2.68Å; H142-D191 PolarHBondContact ND1-OD1 3.23Å; H142-F216 AromaticContact CD2-CE1 3.71Å; H142-F216 AromaticContact CE1-CE1 3.62Å; H142-F216 AromaticContact CG-CE1 3.94Å; H142-F216 AromaticContact ND1-CE1 3.88Å; H142-F216 AromaticContact NE2-CE1 3.47Å; H142-F216 WeakPolarHBondContact NE2-CE1 3.37Å
143A98.7Very high98.7Very high0 Ų018.8 Ų18.80%09%0.091CC..  trans-62.6130.4-176.600000110.9C152 N155A143-C152 HydrophobicContact CB-CB 3.84Å; A143-N155 HydrophobicContact CB-CB 3.89Å; A143-N155 WeakPolarHBondContact O-CB 3.46Å; A143-N155 PolarHBondContact O-ND2 2.76Å
144K98.8Very high98.7Very high20 Ų2018.8 Ų18.89%0.0879%0.092CC..BIsolated β-bridgetrans-98.2178.7-179.3-49.4-56.4-166.1-98.50111H63 H142 S146 E147 D191 E195H63-K144 PolarHBondContact CE1-O 3.09Å; H63-K144 PolarHBondContact ND1-O 3.36Å; H142-K144 WeakPolarHBondContact O-CD 3.33Å; H142-K144 PolarHBondContact O-N 2.98Å; H142-K144 PolarHBondContact O-NZ 3.34Å; K144-S146 PolarHBondContact O-N 2.97Å; K144-E147 HydrophobicContact CB-CB 3.89Å; K144-E147 HydrophobicContact CG-CB 4.14Å; K144-E147 PolarHBondContact N-O 3.36Å; K144-D191 IonicContact NZ-OD1 2.82Å; K144-D191 PolarHBondContact NZ-OD1 2.91Å; K144-D191 IonicContact NZ-OD2 3.79Å; K144-D191 PolarHBondContact NZ-OD2 3Å; K144-E195 VanDerWaalsContact CD-OE2 3.25Å; K144-E195 WeakPolarHBondContact CD-OE2 3.26Å; K144-E195 WeakPolarHBondContact CE-OE2 3.39Å
145R98.8Very high98.7Very high138 Ų13818.8 Ų18.852%0.5219%0.092SC..THydrogen-bonded Turntrans-54.5-41.8178.3174.2168.8-171.7-78.4-2.9112.3F62 H63 S64F62-R145 HydrophobicContact CE2-CB 4.14Å; F62-R145 HydrophobicContact CZ-CB 4.28Å; F62-R145 WeakPolarHBondContact O-CG 3.4Å; H63-R145 CarbonylContact C-O 3.58Å; H63-R145 WeakPolarHBondContact CA-O 3.29Å; H63-R145 PolarHBondContact ND1-O 3.5Å; S64-R145 PolarHBondContact N-O 2.96Å
146S98.8Very high98.7Very high35 Ų3518.8 Ų18.825%0.2459%0.092CC..THydrogen-bonded Turntrans-139.435.1-174.7-55.80000111.3S64 F95 K144S64-S146 WeakPolarHBondContact CB-OG 3.24Å; S64-S146 PolarHBondContact OG-OG 2.73Å; F95-S146 WeakPolarHBondContact CD1-O 3.38Å; K144-S146 PolarHBondContact O-N 2.97Å
147E98.9Very high98.7Very high83 Ų8318.7 Ų18.739%0.3889%0.091SC..BIsolated β-bridgetrans-155132.6-176.5-163.4-174.8160.900110.3S96 K144S96-E147 VanDerWaalsContact OG-CG 3.29Å; S96-E147 WeakPolarHBondContact OG-CG 3.35Å; S96-E147 PolarHBondContact OG-OE1 2.93Å; K144-E147 HydrophobicContact CB-CB 3.89Å; K144-E147 HydrophobicContact CG-CB 4.14Å; K144-E147 PolarHBondContact N-O 3.36Å
148A98.8Very high98.7Very high2 Ų218.6 Ų18.62%0.0179%0.09CC..  trans-81.6144.3166.200000110Y67 F95 S96 L97 C101 C152 Y153Y67-A148 WeakPolarHBondContact OH-CB 3.36Å; F95-A148 PolarHBondContact O-N 3.11Å; S96-A148 VanDerWaalsContact CB-O 3.27Å; S96-A148 WeakPolarHBondContact CB-O 3.41Å; L97-A148 HydrophobicContact CD2-CB 3.68Å; L97-A148 HydrophobicContact CG-CB 4.44Å; C101-A148 HydrophobicContact CB-CB 3.69Å; A148-C152 WeakPolarHBondContact CA-O 3.28Å; A148-Y153 HydrophobicContact CB-CD1 4.09Å
149S98.7Very high98.7Very high17 Ų1718.8 Ų18.812%0.1199%0.09CC..BIsolated β-bridgetrans-155.7139.2-177.1-169.60000111.1C101 H142 F151 C152 F216C101-S149 PolarHBondContact SG-N 2.87Å; C101-S149 VanDerWaalsContact SG-N 3.44Å; H142-S149 VanDerWaalsContact CB-O 3.24Å; H142-S149 WeakPolarHBondContact CB-O 3.47Å; H142-S149 WeakPolarHBondContact O-CB 3.46Å; S149-F151 PolarHBondContact O-N 2.99Å; S149-C152 PolarHBondContact N-O 3.29Å; S149-C152 WeakPolarHBondContact O-CA 3.27Å; S149-C152 WeakPolarHBondContact O-CB 3.31Å; S149-C152 PolarHBondContact O-N 3.01Å; S149-F216 WeakPolarHBondContact OG-CZ 3.49Å
150G97.5Very high98.7Very high12 Ų1218.7 Ų18.712%0.1249%0.09CC..THydrogen-bonded Turntrans50.950173.800000114.4C152G150-C152 PolarHBondContact O-N 2.66Å; G150-C152 VanDerWaalsContact O-N 3.11Å; G150-C152 PolarHBondContact O-SG 3.17Å; G150-C152 VanDerWaalsContact O-SG 3.37Å
151F98.1Very high98.7Very high38 Ų3818 Ų1817%0.1679%0.087CC..THydrogen-bonded Turntrans62.910-175.4-42-73000115.2K20 F21 D100 C101 S149K20-F151 HydrophobicContact CB-CD1 4.25Å; K20-F151 HydrophobicContact CD-CD1 3.9Å; K20-F151 HydrophobicContact CD-CD2 4.47Å; K20-F151 HydrophobicContact CD-CE1 3.77Å; K20-F151 HydrophobicContact CD-CE2 4.34Å; K20-F151 HydrophobicContact CD-CG 4.29Å; K20-F151 HydrophobicContact CD-CZ 4.02Å; K20-F151 HydrophobicContact CG-CB 4.41Å; K20-F151 HydrophobicContact CG-CD1 3.76Å; K20-F151 HydrophobicContact CG-CD2 4.33Å; K20-F151 HydrophobicContact CG-CE1 4.18Å; K20-F151 HydrophobicContact CG-CG 3.89Å; F21-F151 HydrophobicContact CE2-CB 4.05Å; F21-F151 HydrophobicContact CZ-CB 4.4Å; D100-F151 HydrophobicContact CB-CE1 4.02Å; D100-F151 HydrophobicContact CB-CZ 4.22Å; D100-F151 WeakPolarHBondContact O-CD1 3.39Å; D100-F151 WeakPolarHBondContact O-CE1 3.2Å; C101-F151 PolarHBondContact SG-N 3.01Å; C101-F151 VanDerWaalsContact SG-N 3.43Å; S149-F151 PolarHBondContact O-N 2.99Å
152C98.8Very high98.7Very high3 Ų321.7 Ų21.72%0.0210%0.104CC..BIsolated β-bridgetrans-105.3119.5178.6-55.60000110.2W140 H142 A143 A148 S149 G150W140-C152 VanDerWaalsContact C-SG 3.59Å; W140-C152 VanDerWaalsContact CA-SG 3.57Å; W140-C152 HydrophobicContact CB-CB 3.84Å; H142-C152 HydrophobicContact CB-CB 3.96Å; A143-C152 HydrophobicContact CB-CB 3.84Å; A148-C152 WeakPolarHBondContact CA-O 3.28Å; S149-C152 PolarHBondContact N-O 3.29Å; S149-C152 WeakPolarHBondContact O-CA 3.27Å; S149-C152 WeakPolarHBondContact O-CB 3.31Å; S149-C152 PolarHBondContact O-N 3.01Å; G150-C152 PolarHBondContact O-N 2.66Å; G150-C152 VanDerWaalsContact O-N 3.11Å; G150-C152 PolarHBondContact O-SG 3.17Å; G150-C152 VanDerWaalsContact O-SG 3.37Å
153Y98.9Very high98.7Very high10 Ų1025.6 Ų25.64%0.03912%0.119CC..SBendtrans-104.6-42.1-178.8-55-97.8000112.3Y67 L71 L97 C101 P102 F104 V107 S111 A148Y67-Y153 VanDerWaalsContact CE1-O 3.26Å; Y67-Y153 WeakPolarHBondContact CE1-O 3.48Å; Y67-Y153 WeakPolarHBondContact OH-CA 3.19Å; Y67-Y153 PolarHBondContact OH-O 2.82Å; L71-Y153 HydrophobicContact CD1-CD1 3.78Å; L71-Y153 HydrophobicContact CD1-CG 4.33Å; L97-Y153 HydrophobicContact CD2-CD1 3.78Å; L97-Y153 HydrophobicContact CD2-CE1 4.22Å; C101-Y153 HydrophobicContact CB-CD1 4.45Å; C101-Y153 HydrophobicContact CB-CE1 3.86Å; P102-Y153 WeakPolarHBondContact CD-OH 3.41Å; P102-Y153 PolarHBondContact O-OH 2.76Å; F104-Y153 HydrophobicContact CE1-CE2 4.17Å; F104-Y153 AromaticContact CE1-CZ 3.98Å; V107-Y153 HydrophobicContact CG2-CD1 3.72Å; V107-Y153 HydrophobicContact CG2-CD2 4.38Å; V107-Y153 HydrophobicContact CG2-CE1 3.44Å; V107-Y153 VanDerWaalsContact CG2-CE1 3.44Å; V107-Y153 HydrophobicContact CG2-CE2 4.17Å; V107-Y153 HydrophobicContact CG2-CG 4.18Å; S111-Y153 VanDerWaalsContact OG-CB 3.24Å; S111-Y153 WeakPolarHBondContact OG-CB 3.38Å; A148-Y153 HydrophobicContact CB-CD1 4.09Å
154L98.9Very high98.7Very high1 Ų125.6 Ų25.61%0.00512%0.119CC..SBendtrans-123.7133.4173.9-65.5177.9000109.6V59 H63 Y67 L71 L112 V115 D156V59-L154 HydrophobicContact CG1-CD1 4.16Å; V59-L154 HydrophobicContact CG1-CD2 3.85Å; H63-L154 WeakPolarHBondContact NE2-CA 3.41Å; Y67-L154 HydrophobicContact CE1-CD2 4.08Å; L71-L154 HydrophobicContact CD2-CD1 4.28Å; L71-L154 HydrophobicContact CD2-CD2 4.01Å; L71-L154 HydrophobicContact CD2-CG 3.87Å; L112-L154 HydrophobicContact CB-CD1 4.44Å; L112-L154 HydrophobicContact CD1-CD1 4.36Å; V115-L154 HydrophobicContact CG2-CB 3.77Å; V115-L154 HydrophobicContact CG2-CD1 4.17Å; L154-D156 PolarHBondContact O-N 3.48Å; L154-D156 VanDerWaalsContact O-N 3.13Å
155N98.9Very high98.6Very high0 Ų025.2 Ų25.20%012%0.118CC..  trans-86.686.9-176.8-158-46.2000110F62 H63 H141 A143 I157 V158 L159F62-N155 HydrophobicContact CD1-CB 4.03Å; F62-N155 HydrophobicContact CE1-CB 3.71Å; H63-N155 PolarHBondContact NE2-N 2.67Å; H141-N155 PolarHBondContact O-ND2 3.46Å; A143-N155 HydrophobicContact CB-CB 3.89Å; A143-N155 WeakPolarHBondContact O-CB 3.46Å; A143-N155 PolarHBondContact O-ND2 2.76Å; N155-I157 PolarHBondContact O-N 3.13Å; N155-I157 WeakPolarHBondContact OD1-CB 3.48Å; N155-I157 PolarHBondContact OD1-N 3.47Å; N155-V158 HydrophobicContact CB-CB 4.11Å; N155-V158 HydrophobicContact CB-CG2 4.13Å; N155-V158 VanDerWaalsContact CG-CG2 3.42Å; N155-V158 PolarHBondContact O-N 2.82Å; N155-V158 WeakPolarHBondContact OD1-CG2 3.39Å; N155-V158 PolarHBondContact OD1-N 3.44Å; N155-L159 WeakPolarHBondContact O-CG 3.35Å; N155-L159 PolarHBondContact O-N 3.21Å
156D98.9Very high98.4Very high0 Ų021.9 Ų21.90%012%0.116CC..Hα-helixtrans-62.8-30.5179.272.3-69.3000112.3A114 V115 S118 G138 G139 W140 L154 A160A114-D156 HydrophobicContact CB-CB 4.11Å; V115-D156 HydrophobicContact CG2-CB 4.11Å; S118-D156 WeakPolarHBondContact CB-OD2 3.19Å; S118-D156 PolarHBondContact OG-OD2 2.66Å; G138-D156 WeakPolarHBondContact CA-OD2 3.3Å; G139-D156 PolarHBondContact N-OD1 2.99Å; G139-D156 VanDerWaalsContact N-OD1 3.11Å; G139-D156 PolarHBondContact N-OD2 3.07Å; G139-D156 VanDerWaalsContact N-OD2 3.1Å; W140-D156 PolarHBondContact N-OD1 3.3Å; L154-D156 PolarHBondContact O-N 3.48Å; L154-D156 VanDerWaalsContact O-N 3.13Å; D156-A160 VanDerWaalsContact O-CB 3.28Å; D156-A160 WeakPolarHBondContact O-CB 3.41Å; D156-A160 PolarHBondContact O-N 2.91Å
157I98.9Very high98.1Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-65.9-52.2178.5-53.7166.1000110.2H141 N155 L159 A160 I161 Y182 V193 V279 Q281 L336H141-I157 HydrophobicContact CB-CD1 3.55Å; N155-I157 PolarHBondContact O-N 3.13Å; N155-I157 WeakPolarHBondContact OD1-CB 3.48Å; N155-I157 PolarHBondContact OD1-N 3.47Å; I157-L159 VanDerWaalsContact C-N 3.29Å; I157-L159 PolarHBondContact O-N 3.32Å; I157-A160 PolarHBondContact O-N 2.75Å; I157-I161 HydrophobicContact CG2-CD1 3.73Å; I157-I161 HydrophobicContact CG2-CG1 4.34Å; I157-I161 WeakPolarHBondContact O-CB 3.34Å; I157-I161 WeakPolarHBondContact O-CG1 3.46Å; I157-I161 PolarHBondContact O-N 2.84Å; I157-Y182 HydrophobicContact CD1-CE2 4.43Å; I157-Y182 HydrophobicContact CG2-CD2 3.97Å; I157-Y182 HydrophobicContact CG2-CE2 3.54Å; I157-V193 HydrophobicContact CB-CG2 3.89Å; I157-V193 HydrophobicContact CD1-CG2 3.92Å; I157-V193 HydrophobicContact CG2-CG1 4.19Å; I157-V193 HydrophobicContact CG2-CG2 3.81Å; I157-V279 HydrophobicContact CG2-CG1 4.14Å; I157-Q281 HydrophobicContact CD1-CB 4.46Å; I157-Q281 HydrophobicContact CD1-CG 4.02Å; I157-L336 HydrophobicContact CB-CD1 4.33Å; I157-L336 HydrophobicContact CG1-CD1 3.6Å; I157-L336 HydrophobicContact CG2-CD1 4.35Å
158V98.9Very high97.4Very high5 Ų520.4 Ų20.43%0.0311%0.113CC..Hα-helixtrans-58.7-43.5179.6171.60000110.7F62 N155 I161 H162 V193 A196 F197F62-V158 HydrophobicContact CB-CG1 3.88Å; F62-V158 HydrophobicContact CD1-CB 4.14Å; F62-V158 HydrophobicContact CD1-CG1 3.88Å; F62-V158 HydrophobicContact CD2-CG1 3.61Å; F62-V158 HydrophobicContact CE1-CB 4.37Å; F62-V158 HydrophobicContact CE1-CG1 4.29Å; F62-V158 HydrophobicContact CE1-CG2 4.41Å; F62-V158 HydrophobicContact CE2-CG1 4.04Å; F62-V158 HydrophobicContact CG-CB 4.27Å; F62-V158 HydrophobicContact CG-CG1 3.5Å; F62-V158 HydrophobicContact CZ-CG1 4.36Å; F62-V158 HydrophobicContact CZ-CG2 4.44Å; N155-V158 HydrophobicContact CB-CB 4.11Å; N155-V158 HydrophobicContact CB-CG2 4.13Å; N155-V158 VanDerWaalsContact CG-CG2 3.42Å; N155-V158 PolarHBondContact O-N 2.82Å; N155-V158 WeakPolarHBondContact OD1-CG2 3.39Å; N155-V158 PolarHBondContact OD1-N 3.44Å; V158-I161 PolarHBondContact O-N 3.22Å; V158-H162 VanDerWaalsContact O-CB 3.26Å; V158-H162 WeakPolarHBondContact O-CB 3.37Å; V158-H162 PolarHBondContact O-N 3.05Å; V158-V193 HydrophobicContact CG2-CB 4.38Å; V158-V193 HydrophobicContact CG2-CG1 4.41Å; V158-V193 HydrophobicContact CG2-CG2 4.19Å; V158-A196 HydrophobicContact CB-CB 4.33Å; V158-A196 HydrophobicContact CG1-CB 3.76Å; V158-A196 HydrophobicContact CG2-CB 3.51Å; V158-F197 HydrophobicContact CB-CE2 4.39Å; V158-F197 HydrophobicContact CG1-CE2 4.21Å; V158-F197 HydrophobicContact CG1-CZ 4.01Å; V158-F197 HydrophobicContact CG2-CE2 4.12Å
159L98.9Very high96.1Very high3 Ų324 Ų242%0.01614%0.136CC..Hα-helixtrans-66.6-40.3178.7-68.3175.6000112.5A58 A61 F62 V115 L119 N155 I157 H162 R163A58-L159 WeakPolarHBondContact O-CD2 3.34Å; A61-L159 HydrophobicContact CB-CD2 4.14Å; F62-L159 HydrophobicContact CB-CD2 3.66Å; F62-L159 HydrophobicContact CB-CG 4.33Å; V115-L159 HydrophobicContact CB-CD1 4.36Å; V115-L159 HydrophobicContact CG1-CD1 3.51Å; V115-L159 HydrophobicContact CG2-CD1 3.87Å; L119-L159 HydrophobicContact CD2-CB 4.14Å; L119-L159 WeakPolarHBondContact CD2-O 3.26Å; N155-L159 WeakPolarHBondContact O-CG 3.35Å; N155-L159 PolarHBondContact O-N 3.21Å; I157-L159 VanDerWaalsContact C-N 3.29Å; I157-L159 PolarHBondContact O-N 3.32Å; L159-H162 PolarHBondContact O-N 3.12Å; L159-R163 PolarHBondContact O-N 2.68Å; L159-R163 VanDerWaalsContact O-N 3.08Å
160A98.9Very high94.4Very high0 Ų028.7 Ų28.70%017%0.166CC..Hα-helixtrans-64.2-47.2174.300000111.7A122 D156 I157 H162 R163 L164 L334A122-A160 HydrophobicContact CB-CB 4.24Å; D156-A160 VanDerWaalsContact O-CB 3.28Å; D156-A160 WeakPolarHBondContact O-CB 3.41Å; D156-A160 PolarHBondContact O-N 2.91Å; I157-A160 PolarHBondContact O-N 2.75Å; A160-H162 VanDerWaalsContact C-N 3.34Å; A160-H162 PolarHBondContact O-N 3.36Å; A160-R163 WeakPolarHBondContact O-CB 3.4Å; A160-R163 PolarHBondContact O-N 3.3Å; A160-L164 WeakPolarHBondContact O-CG 3.36Å; A160-L164 PolarHBondContact O-N 2.99Å; A160-L334 HydrophobicContact CB-CD2 3.91Å
161I98.8Very high92.6Very high0 Ų036.8 Ų36.80%020%0.2CC..Hα-helixtrans-61.7-42.5176.5-68.7173.2000110.9I157 V158 R163 L164 V165 V180 Y182 V193 F197 V203 V279I157-I161 HydrophobicContact CG2-CD1 3.73Å; I157-I161 HydrophobicContact CG2-CG1 4.34Å; I157-I161 WeakPolarHBondContact O-CB 3.34Å; I157-I161 WeakPolarHBondContact O-CG1 3.46Å; I157-I161 PolarHBondContact O-N 2.84Å; V158-I161 PolarHBondContact O-N 3.22Å; I161-R163 VanDerWaalsContact C-N 3.27Å; I161-R163 PolarHBondContact O-N 2.94Å; I161-L164 PolarHBondContact O-N 3.45Å; I161-L164 VanDerWaalsContact O-N 3.12Å; I161-V165 WeakPolarHBondContact O-CG1 3.34Å; I161-V165 PolarHBondContact O-N 2.73Å; I161-V180 HydrophobicContact CG1-CG1 4.26Å; I161-V180 HydrophobicContact CG2-CB 4.24Å; I161-V180 HydrophobicContact CG2-CG1 4.11Å; I161-V180 HydrophobicContact CG2-CG2 4.37Å; I161-Y182 HydrophobicContact CD1-CD2 3.96Å; I161-Y182 HydrophobicContact CD1-CG 4.11Å; I161-V193 HydrophobicContact CD1-CG1 4.03Å; I161-F197 HydrophobicContact CB-CE2 3.93Å; I161-F197 HydrophobicContact CB-CZ 3.75Å; I161-F197 HydrophobicContact CD1-CE2 4Å; I161-F197 HydrophobicContact CG2-CD2 4.5Å; I161-F197 HydrophobicContact CG2-CE1 4Å; I161-F197 HydrophobicContact CG2-CE2 3.65Å; I161-F197 HydrophobicContact CG2-CZ 3.36Å; I161-V203 HydrophobicContact CG2-CB 4.32Å; I161-V203 HydrophobicContact CG2-CG1 3.7Å; I161-V203 HydrophobicContact CG2-CG2 3.62Å; I161-V279 HydrophobicContact CD1-CB 4.32Å; I161-V279 HydrophobicContact CD1-CG1 4.48Å; I161-V279 HydrophobicContact CD1-CG2 4.43Å; I161-V279 HydrophobicContact CG1-CB 4.17Å; I161-V279 HydrophobicContact CG1-CG1 4.37Å; I161-V279 HydrophobicContact CG1-CG2 3.76Å
162H98.4Very high90.7Very high81 Ų8139.5 Ų39.538%0.37522%0.22SC..Hα-helixtrans-57.2-42.4176.2178.976000111.5V158 L159 A160 S166V158-H162 VanDerWaalsContact O-CB 3.26Å; V158-H162 WeakPolarHBondContact O-CB 3.37Å; V158-H162 PolarHBondContact O-N 3.05Å; L159-H162 PolarHBondContact O-N 3.12Å; A160-H162 VanDerWaalsContact C-N 3.34Å; A160-H162 PolarHBondContact O-N 3.36Å; H162-S166 VanDerWaalsContact O-CB 3.23Å; H162-S166 WeakPolarHBondContact O-CB 3.46Å; H162-S166 PolarHBondContact O-N 2.84Å; H162-S166 PolarHBondContact O-OG 3.15Å
163R98.2Very high88.7Confident90 Ų9042 Ų4234%0.3424%0.237SC..Hα-helixtrans-64.4-43.6174.1176.4169.1-71.1-125.5-3.8112.2L119 A122 S123 I126 L159 A160 I161 S167L119-R163 HydrophobicContact CD2-CB 4.24Å; A122-R163 HydrophobicContact CB-CB 4.45Å; A122-R163 HydrophobicContact CB-CG 4.28Å; S123-R163 WeakPolarHBondContact OG-CD 3.25Å; S123-R163 PolarHBondContact OG-NH1 2.79Å; I126-R163 HydrophobicContact CD1-CG 3.69Å; L159-R163 PolarHBondContact O-N 2.68Å; L159-R163 VanDerWaalsContact O-N 3.08Å; A160-R163 WeakPolarHBondContact O-CB 3.4Å; A160-R163 PolarHBondContact O-N 3.3Å; I161-R163 VanDerWaalsContact C-N 3.27Å; I161-R163 PolarHBondContact O-N 2.94Å; R163-S167 PolarHBondContact O-N 2.89Å
164L98Very high86.6Confident0 Ų046.9 Ų46.90%027%0.27CS..Hα-helixtrans-63.3-51.2178.5-68.4175.1000112.2A122 L125 I126 A160 I161 S166 S167 V180 Y277 V279A122-L164 HydrophobicContact CB-CD2 3.86Å; A122-L164 HydrophobicContact CB-CG 3.94Å; L125-L164 HydrophobicContact CB-CD2 4.44Å; I126-L164 HydrophobicContact CD1-CD2 4.05Å; I126-L164 HydrophobicContact CG1-CD2 3.84Å; A160-L164 WeakPolarHBondContact O-CG 3.36Å; A160-L164 PolarHBondContact O-N 2.99Å; I161-L164 PolarHBondContact O-N 3.45Å; I161-L164 VanDerWaalsContact O-N 3.12Å; L164-S166 PolarHBondContact O-N 3.28Å; L164-S167 VanDerWaalsContact O-CB 3.28Å; L164-S167 WeakPolarHBondContact O-CB 3.46Å; L164-S167 PolarHBondContact O-N 3.32Å; L164-S167 PolarHBondContact O-OG 3.46Å; L164-V180 HydrophobicContact CB-CG2 4.08Å; L164-Y277 HydrophobicContact CB-CD2 4Å; L164-Y277 HydrophobicContact CB-CE2 4.43Å; L164-Y277 HydrophobicContact CB-CG 4.27Å; L164-Y277 HydrophobicContact CD1-CG 4.22Å; L164-Y277 HydrophobicContact CD2-CD1 3.74Å; L164-Y277 HydrophobicContact CD2-CD2 4.21Å; L164-Y277 HydrophobicContact CD2-CE1 3.92Å; L164-Y277 HydrophobicContact CD2-CE2 4.33Å; L164-Y277 HydrophobicContact CD2-CG 3.92Å; L164-Y277 HydrophobicContact CG-CG 4.36Å; L164-V279 HydrophobicContact CD1-CG2 3.58Å
165V96.7Very high84.7Confident11 Ų1154.5 Ų54.57%0.06731%0.311CS..Hα-helixtrans-68.2-24.6-17675.90000112.7I161 V180 R202 V203I161-V165 WeakPolarHBondContact O-CG1 3.34Å; I161-V165 PolarHBondContact O-N 2.73Å; V165-V180 HydrophobicContact CB-CG2 4.05Å; V165-R202 HydrophobicContact CG2-CB 3.85Å; V165-R202 PolarHBondContact O-NH1 3.02Å; V165-R202 PolarHBondContact O-NH2 3.36Å; V165-V203 HydrophobicContact CB-CG2 4.27Å; V165-V203 HydrophobicContact CG1-CG2 4.44Å; V165-V203 HydrophobicContact CG2-CG2 4.11Å
166S95.1Very high83.1Confident68 Ų6864.2 Ų64.248%0.47635%0.348SS..THydrogen-bonded Turntrans-91.4-1.1178.1-52.30000113.7H162 L164 T168H162-S166 VanDerWaalsContact O-CB 3.23Å; H162-S166 WeakPolarHBondContact O-CB 3.46Å; H162-S166 PolarHBondContact O-N 2.84Å; H162-S166 PolarHBondContact O-OG 3.15Å; L164-S166 PolarHBondContact O-N 3.28Å; S166-T168 VanDerWaalsContact C-N 3.31Å; S166-T168 PolarHBondContact O-N 3.08Å
167S93.8Very high82.3Confident38 Ų3869.3 Ų69.327%0.26637%0.372SS..SBendtrans-69.6-21.5-172.763.90000115.3R163 L164R163-S167 PolarHBondContact O-N 2.89Å; L164-S167 VanDerWaalsContact O-CB 3.28Å; L164-S167 WeakPolarHBondContact O-CB 3.46Å; L164-S167 PolarHBondContact O-N 3.32Å; L164-S167 PolarHBondContact O-OG 3.46Å
168T82.9Confident82.1Confident50 Ų5069.6 Ų69.631%0.30737%0.374SS..SBendtrans-109128.2179.955.60000111.2S166 T178S166-T168 VanDerWaalsContact C-N 3.31Å; S166-T168 PolarHBondContact O-N 3.08Å; T168-T178 WeakPolarHBondContact CB-OG1 3.44Å; T168-T178 WeakPolarHBondContact CG2-OG1 3.39Å; T168-T178 WeakPolarHBondContact OG1-CB 3.49Å; T168-T178 PolarHBondContact OG1-OG1 3.26Å
169P72.2Confident82Confident78 Ų7871.4 Ų71.451%0.50638%0.38SS..  trans-62.3136.6173.4-11.322.4000110.2E171 T172P169-E171 PolarHBondContact O-N 2.91Å; P169-T172 HydrophobicContact CB-CG2 4.16Å; P169-T172 HydrophobicContact CG-CG2 3.99Å; P169-T172 PolarHBondContact O-N 3.26Å; P169-T172 PolarHBondContact O-OG1 2.82Å
170P62.4Low82Confident115 Ų11571.3 Ų71.375%0.74738%0.379SS*.G310 helixtrans-53.7-30.1-179.5-24.932.3000113.9T172P170-T172 PolarHBondContact O-N 3.5Å
171E59.4Low82Confident182 Ų18271.3 Ų71.385%0.8538%0.379SS*.G310 helixtrans-77.8-20.1-171.4-56.5-175.1-166.500113.7P169 S173P169-E171 PolarHBondContact O-N 2.91Å; E171-S173 PolarHBondContact O-N 2.89Å
172T59.6Low82Confident95 Ų9571.3 Ų71.358%0.58338%0.379SS*.G310 helixtrans-80.1-17.3-171.254.70000114.2P169 P170P169-T172 HydrophobicContact CB-CG2 4.16Å; P169-T172 HydrophobicContact CG-CG2 3.99Å; P169-T172 PolarHBondContact O-N 3.26Å; P169-T172 PolarHBondContact O-OG1 2.82Å; P170-T172 PolarHBondContact O-N 3.5Å
173S55.3Low82Confident54 Ų5467.5 Ų67.538%0.37836%0.362SS..  trans-159.885.9175.7-83.10000110.6E171 N175 R176E171-S173 PolarHBondContact O-N 2.89Å; S173-N175 PolarHBondContact O-N 3.4Å; S173-R176 CarbonylContact O-C 3.55Å; S173-R176 PolarHBondContact O-N 3.08Å
174P55.3Low82.1Confident113 Ų11363.2 Ų63.273%0.73435%0.345SS*.THydrogen-bonded Turntrans-58.2-23.6178.820.7-31.1000112.9
175N58.2Low82.1Confident161 Ų16163.2 Ų63.286%0.86135%0.345SS*.THydrogen-bonded Turntrans-98-2177.7-65.4-9.6000114S173S173-N175 PolarHBondContact O-N 3.4Å
176R66.6Low82.2Confident204 Ų20462.7 Ų62.777%0.7734%0.342SS*.  trans-137.574.4-175.6-149.9175.2-177.9174.20.6110.5S173S173-R176 CarbonylContact O-C 3.55Å; S173-R176 PolarHBondContact O-N 3.08Å
177Q82.7Confident82.4Confident107 Ų10759.5 Ų59.550%0.532%0.32SS..  trans-77.6131.6178.4-146.9172.61.700109.9R179Q177-R179 PolarHBondContact O-N 3.44Å
178T94.3Very high82.6Confident7 Ų758.1 Ų58.14%0.04331%0.309CS..  trans-59124.9176.8-67.70000109.8T168 R202 Y277T168-T178 WeakPolarHBondContact CB-OG1 3.44Å; T168-T178 WeakPolarHBondContact CG2-OG1 3.39Å; T168-T178 WeakPolarHBondContact OG1-CB 3.49Å; T168-T178 PolarHBondContact OG1-OG1 3.26Å; T178-R202 VanDerWaalsContact O-CZ 3.32Å; T178-R202 PolarHBondContact O-NE 2.96Å; T178-R202 PolarHBondContact O-NH2 3.2Å; T178-Y277 HydrophobicContact CG2-CD2 4.05Å; T178-Y277 HydrophobicContact CG2-CE2 3.98Å
179R96.5Very high83.4Confident43 Ų4355.9 Ų55.916%0.16230%0.295CS..  trans-118.5143.6173.6-74.9-174.9-84.8-89.33109.8Q177 R202 I273 S276 Y277Q177-R179 PolarHBondContact O-N 3.44Å; R179-R202 CarbonylContact C-O 3.59Å; R179-R202 VanDerWaalsContact CA-O 3.24Å; R179-R202 WeakPolarHBondContact CA-O 3.48Å; R179-I273 HydrophobicContact CB-CG2 4.23Å; R179-I273 PolarHBondContact NE-O 2.96Å; R179-S276 PolarHBondContact N-OG 3.35Å; R179-S276 WeakPolarHBondContact O-CB 3.39Å; R179-S276 PolarHBondContact O-N 2.75Å; R179-Y277 PolarHBondContact O-N 3.28Å
180V98.7Very high84.7Confident0 Ų052.2 Ų52.20%027%0.272CS..EExtended strand (participates in β ladder)trans-117.5132.6174.4-176.50000108.2I161 L164 V165 R202 V203 V204 Y277 V279I161-V180 HydrophobicContact CG1-CG1 4.26Å; I161-V180 HydrophobicContact CG2-CB 4.24Å; I161-V180 HydrophobicContact CG2-CG1 4.11Å; I161-V180 HydrophobicContact CG2-CG2 4.37Å; L164-V180 HydrophobicContact CB-CG2 4.08Å; V165-V180 HydrophobicContact CB-CG2 4.05Å; V180-R202 PolarHBondContact N-O 2.93Å; V180-V203 HydrophobicContact CB-CG1 4.49Å; V180-V203 HydrophobicContact CB-CG2 4.36Å; V180-V203 WeakPolarHBondContact O-CA 3.43Å; V180-V204 PolarHBondContact O-N 2.79Å; V180-Y277 WeakPolarHBondContact CA-O 3.43Å; V180-Y277 HydrophobicContact CG2-CD2 4.5Å; V180-V279 HydrophobicContact CG1-CG2 3.99Å
181L98.9Very high86.4Confident0 Ų047.7 Ų47.70%024%0.241CC..EExtended strand (participates in β ladder)trans-100.7118.1166.3173.560.1000107.8V183 V204 L269 I273 P275 Y277 V278 V279 W329L181-V183 HydrophobicContact CD1-CG2 4.42Å; L181-V183 HydrophobicContact CD2-CG2 4.23Å; L181-V183 HydrophobicContact CG-CG2 3.96Å; L181-V204 HydrophobicContact CD1-CB 4.26Å; L181-V204 HydrophobicContact CD1-CG1 4.12Å; L181-L269 HydrophobicContact CD1-CB 4.39Å; L181-L269 HydrophobicContact CD1-CD1 4.31Å; L181-L269 HydrophobicContact CD2-CB 4.04Å; L181-I273 HydrophobicContact CD1-CD1 3.96Å; L181-P275 HydrophobicContact CB-CB 3.78Å; L181-P275 HydrophobicContact CB-CG 4.08Å; L181-P275 HydrophobicContact CD2-CG 4.45Å; L181-Y277 PolarHBondContact N-O 3.42Å; L181-V278 HydrophobicContact CB-CG2 4.48Å; L181-V278 CarbonylContact O-C 3.57Å; L181-V278 VanDerWaalsContact O-CA 3.29Å; L181-V278 WeakPolarHBondContact O-CA 3.34Å; L181-V279 PolarHBondContact O-N 3.15Å; L181-W329 HydrophobicContact CD2-CH2 4.39Å; L181-W329 HydrophobicContact CD2-CZ3 4.05Å
182Y99Very high88.3Confident1 Ų139 Ų390%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-95.2127.7170.3174.7-115.8000109.2I157 I161 D184 V193 V204 T205 F206 V279 Q281I157-Y182 HydrophobicContact CD1-CE2 4.43Å; I157-Y182 HydrophobicContact CG2-CD2 3.97Å; I157-Y182 HydrophobicContact CG2-CE2 3.54Å; I161-Y182 HydrophobicContact CD1-CD2 3.96Å; I161-Y182 HydrophobicContact CD1-CG 4.11Å; Y182-D184 HydrophobicContact CE1-CB 3.68Å; Y182-D184 VanDerWaalsContact OH-CG 3.24Å; Y182-D184 PolarHBondContact OH-OD2 2.8Å; Y182-V193 HydrophobicContact CD1-CB 4.09Å; Y182-V193 HydrophobicContact CD1-CG1 3.5Å; Y182-V193 VanDerWaalsContact CD1-CG1 3.5Å; Y182-V193 HydrophobicContact CD2-CG1 4.31Å; Y182-V193 HydrophobicContact CE1-CB 3.65Å; Y182-V193 HydrophobicContact CE1-CG1 3.55Å; Y182-V193 HydrophobicContact CE1-CG2 4.04Å; Y182-V193 HydrophobicContact CE2-CG1 4.35Å; Y182-V193 HydrophobicContact CG-CG1 3.89Å; Y182-V204 PolarHBondContact N-O 2.89Å; Y182-T205 HydrophobicContact CD1-CG2 3.94Å; Y182-F206 PolarHBondContact O-N 3.21Å; Y182-V279 CarbonylContact C-O 3.57Å; Y182-V279 WeakPolarHBondContact CA-O 3.39Å; Y182-V279 HydrophobicContact CD2-CB 4.13Å; Y182-V279 HydrophobicContact CD2-CG1 4.09Å; Y182-V279 WeakPolarHBondContact CD2-O 3.43Å; Y182-V279 HydrophobicContact CE2-CG1 4.42Å; Y182-Q281 HydrophobicContact CE2-CB 3.97Å; Y182-Q281 VanDerWaalsContact OH-CB 3.31Å; Y182-Q281 WeakPolarHBondContact OH-CB 3.26Å
183V98.9Very high90.1Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-120.4120.5176.4-1790000108.1L181 L185 F206 L266 V278 V279 V280 Q281 I326L181-V183 HydrophobicContact CD1-CG2 4.42Å; L181-V183 HydrophobicContact CD2-CG2 4.23Å; L181-V183 HydrophobicContact CG-CG2 3.96Å; V183-L185 HydrophobicContact CG1-CD2 3.57Å; V183-L185 HydrophobicContact CG1-CG 4.13Å; V183-F206 CarbonylContact C-O 3.53Å; V183-F206 WeakPolarHBondContact CA-O 3.49Å; V183-F206 HydrophobicContact CG1-CD1 4.2Å; V183-L266 HydrophobicContact CG1-CD2 3.75Å; V183-L266 HydrophobicContact CG2-CD2 3.88Å; V183-V278 HydrophobicContact CG2-CG1 4.35Å; V183-V279 PolarHBondContact N-O 2.84Å; V183-V280 CarbonylContact O-C 3.57Å; V183-V280 VanDerWaalsContact O-CA 3.26Å; V183-V280 WeakPolarHBondContact O-CA 3.34Å; V183-Q281 PolarHBondContact O-N 3.12Å; V183-I326 HydrophobicContact CB-CD1 4.45Å; V183-I326 HydrophobicContact CG1-CD1 4.25Å; V183-I326 HydrophobicContact CG2-CD1 4.42Å
184D98.9Very high92.2Very high0 Ų032.7 Ų32.70%016%0.159CC..EExtended strand (participates in β ladder)trans-109.1116.7179.7-157.3-39.1000109.9H141 Y182 D186 G190 F206 V208 Q281H141-D184 IonicContact CE1-OD1 3.56Å; H141-D184 IonicContact CE1-OD2 2.69Å; H141-D184 IonicContact CG-OD2 2.66Å; H141-D184 IonicContact ND1-OD1 2.89Å; H141-D184 PolarHBondContact ND1-OD1 3.3Å; H141-D184 IonicContact ND1-OD2 3.7Å; H141-D184 PolarHBondContact ND1-OD2 2.98Å; Y182-D184 HydrophobicContact CE1-CB 3.68Å; Y182-D184 VanDerWaalsContact OH-CG 3.24Å; Y182-D184 PolarHBondContact OH-OD2 2.8Å; D184-D186 VanDerWaalsContact OD1-CB 3.3Å; D184-D186 WeakPolarHBondContact OD1-CB 3.47Å; D184-D186 PolarHBondContact OD1-N 2.81Å; D184-G190 WeakPolarHBondContact OD2-CA 3.43Å; D184-F206 PolarHBondContact N-O 3.21Å; D184-V208 WeakPolarHBondContact O-CG1 3.28Å; D184-V208 PolarHBondContact O-N 3.29Å; D184-V208 VanDerWaalsContact O-N 3.12Å; D184-Q281 PolarHBondContact OD1-OE1 3.22Å
185L98.9Very high94.3Very high0 Ų033 Ų330%015%0.15CC..  trans-109.77.9-177.4-51.7-177.7000112.6V183 V208 W258 I262 V280 Q281 Y319 A322V183-L185 HydrophobicContact CG1-CD2 3.57Å; V183-L185 HydrophobicContact CG1-CG 4.13Å; L185-V208 HydrophobicContact CD2-CG1 3.86Å; L185-W258 HydrophobicContact CB-CZ2 4.48Å; L185-W258 HydrophobicContact CD1-CH2 4.39Å; L185-W258 HydrophobicContact CD2-CH2 3.86Å; L185-W258 HydrophobicContact CD2-CZ2 4.05Å; L185-I262 HydrophobicContact CD2-CD1 4.24Å; L185-V280 HydrophobicContact CD1-CG1 3.88Å; L185-V280 HydrophobicContact CG-CG1 4.16Å; L185-Q281 WeakPolarHBondContact CB-O 3.41Å; L185-Q281 PolarHBondContact N-O 3.18Å; L185-Y319 HydrophobicContact CB-CD1 4.48Å; L185-Y319 HydrophobicContact CB-CE1 4.26Å; L185-A322 HydrophobicContact CD1-CB 3.87Å
186D98.9Very high96.2Very high1 Ų127 Ų271%0.00512%0.124CC..SBendtrans-62.1159.2174.2-156.4-88.2000111.2H141 D184 H188 V208 Q281 G283 G339H141-D186 VanDerWaalsContact CE1-CB 3.42Å; H141-D186 WeakPolarHBondContact CE1-CB 3.08Å; H141-D186 IonicContact CE1-OD1 3.84Å; H141-D186 IonicContact CE1-OD2 3.46Å; H141-D186 IonicContact NE2-OD1 3.17Å; D184-D186 VanDerWaalsContact OD1-CB 3.3Å; D184-D186 WeakPolarHBondContact OD1-CB 3.47Å; D184-D186 PolarHBondContact OD1-N 2.81Å; D186-H188 PolarHBondContact O-N 3.22Å; D186-H188 WeakPolarHBondContact OD1-CB 3.36Å; D186-H188 IonicContact OD1-CG 3.22Å; D186-H188 PolarHBondContact OD1-N 3.05Å; D186-H188 IonicContact OD1-ND1 2.76Å; D186-H188 PolarHBondContact OD1-ND1 2.95Å; D186-V208 VanDerWaalsContact O-O 3.08Å; D186-Q281 PolarHBondContact OD2-NE2 2.89Å; D186-G283 WeakPolarHBondContact OD2-CA 3.41Å; D186-G339 PolarHBondContact OD2-N 3.23Å
187L98.9Very high97.7Very high0 Ų018.2 Ų18.20%09%0.091CC..SBendtrans-61.5-31.2170.8-177.565.7000111.8H209 H210 F215 D285 C286 H292 I294 F295L187-H209 WeakPolarHBondContact O-CA 3.42Å; L187-H209 VanDerWaalsContact O-CB 3.3Å; L187-H209 WeakPolarHBondContact O-CB 3.49Å; L187-H210 HydrophobicContact CD1-CB 3.91Å; L187-H210 HydrophobicContact CG-CB 4.46Å; L187-H210 PolarHBondContact O-N 2.84Å; L187-F215 HydrophobicContact CD2-CZ 3.95Å; L187-F215 HydrophobicContact CG-CZ 4.01Å; L187-D285 HydrophobicContact CB-CB 4.09Å; L187-D285 VanDerWaalsContact CB-CG 3.47Å; L187-D285 VanDerWaalsContact CB-OD1 3.29Å; L187-D285 WeakPolarHBondContact CB-OD1 3.3Å; L187-D285 HydrophobicContact CD2-CB 4.49Å; L187-D285 PolarHBondContact N-OD1 2.96Å; L187-C286 WeakPolarHBondContact CA-SG 3.49Å; L187-C286 PolarHBondContact N-SG 3.35Å; L187-C286 VanDerWaalsContact N-SG 3.42Å; L187-H292 HydrophobicContact CD2-CB 3.63Å; L187-I294 HydrophobicContact CD1-CB 3.85Å; L187-I294 HydrophobicContact CD1-CG2 3.82Å; L187-I294 HydrophobicContact CD2-CB 3.98Å; L187-I294 HydrophobicContact CD2-CG1 4.01Å; L187-F295 HydrophobicContact CD1-CB 4.36Å; L187-F295 HydrophobicContact CD1-CD1 4.12Å; L187-F295 HydrophobicContact CD1-CD2 3.86Å; L187-F295 HydrophobicContact CD1-CE1 4.34Å; L187-F295 HydrophobicContact CD1-CE2 4.09Å; L187-F295 HydrophobicContact CD1-CG 3.85Å; L187-F295 HydrophobicContact CD1-CZ 4.31Å
188H98.8Very high98.5Very high10 Ų1015.4 Ų15.45%0.0468%0.076CC..SBendtrans-97152.5-175-51.486.2000112D186 G190 F215 D285 H292D186-H188 PolarHBondContact O-N 3.22Å; D186-H188 WeakPolarHBondContact OD1-CB 3.36Å; D186-H188 IonicContact OD1-CG 3.22Å; D186-H188 PolarHBondContact OD1-N 3.05Å; D186-H188 IonicContact OD1-ND1 2.76Å; D186-H188 PolarHBondContact OD1-ND1 2.95Å; H188-G190 PolarHBondContact O-N 2.69Å; H188-F215 AromaticContact CD2-CE1 3.62Å; H188-F215 AromaticContact CD2-CZ 3.57Å; H188-F215 AromaticContact NE2-CZ 3.57Å; H188-D285 IonicContact CE1-OD2 2.81Å; H188-D285 PolarHBondContact CE1-OD2 2.83Å; H188-D285 IonicContact ND1-OD2 3.91Å; H188-D285 PolarHBondContact ND1-OD2 3.42Å; H188-D285 VanDerWaalsContact ND1-OD2 3.17Å; H188-H292 AromaticContact CE1-NE2 3.93Å; H188-H292 AromaticContact NE2-NE2 3.76Å
189H98.9Very high98.7Very high2 Ų222.7 Ų22.71%0.00910%0.104CC..  trans-63.4129.9175.5176-131.6000111.4H142 D191 E194 H209 P217 T219 G220 N246H142-H189 PolarHBondContact CE1-O 2.75Å; H142-H189 VanDerWaalsContact CE1-O 3.22Å; H189-D191 WeakPolarHBondContact ND1-CB 3.41Å; H189-D191 PolarHBondContact O-N 2.75Å; H189-E194 IonicContact CE1-OE1 3.1Å; H189-E194 PolarHBondContact CE1-OE1 3.09Å; H189-E194 IonicContact NE2-OE1 2.75Å; H189-E194 PolarHBondContact NE2-OE1 3.05Å; H189-E194 IonicContact NE2-OE2 2.62Å; H189-H209 HydrophobicContact CB-CB 4.49Å; H189-H209 AromaticContact CD2-CE1 3.28Å; H189-H209 PolarHBondContact CD2-CE1 3.11Å; H189-H209 AromaticContact CD2-ND1 3.62Å; H189-H209 AromaticContact CD2-NE2 3.97Å; H189-H209 AromaticContact CG-CE1 3.77Å; H189-P217 HydrophobicContact CB-CG 3.97Å; H189-T219 PolarHBondContact ND1-OG1 3.12Å; H189-G220 PolarHBondContact CE1-N 3.15Å; H189-G220 PolarHBondContact ND1-N 3.03Å; H189-N246 PolarHBondContact CD2-OD1 3.1Å; H189-N246 VanDerWaalsContact CD2-OD1 3.26Å; H189-N246 PolarHBondContact NE2-OD1 2.6Å; H189-N246 VanDerWaalsContact NE2-OD1 3.08Å
190G98.8Very high98.8Very high2 Ų222.3 Ų22.32%0.02111%0.107CC..  trans-70.150.4176.100000115.5H141 D184 H188 G192 V193 E194 S207H141-G190 WeakPolarHBondContact ND1-CA 3.47Å; D184-G190 WeakPolarHBondContact OD2-CA 3.43Å; H188-G190 PolarHBondContact O-N 2.69Å; G190-G192 PolarHBondContact O-N 2.89Å; G190-V193 PolarHBondContact O-N 2.84Å; G190-E194 PolarHBondContact O-N 2.86Å; G190-S207 PolarHBondContact N-OG 3.49Å
191D98.8Very high98.8Very high19 Ų1923.5 Ų23.510%0.10212%0.115CC..Hα-helixtrans-64-39.3-164.968.7-22.2000114.5H142 K144 H189 E194 E195 P217 T219H142-D191 WeakPolarHBondContact CA-OD1 3.15Å; H142-D191 IonicContact CE1-OD1 3.8Å; H142-D191 IonicContact CG-OD1 3.95Å; H142-D191 IonicContact ND1-OD1 2.68Å; H142-D191 PolarHBondContact ND1-OD1 3.23Å; K144-D191 IonicContact NZ-OD1 2.82Å; K144-D191 PolarHBondContact NZ-OD1 2.91Å; K144-D191 IonicContact NZ-OD2 3.79Å; K144-D191 PolarHBondContact NZ-OD2 3Å; H189-D191 WeakPolarHBondContact ND1-CB 3.41Å; H189-D191 PolarHBondContact O-N 2.75Å; D191-E194 PolarHBondContact O-N 3.12Å; D191-E195 VanDerWaalsContact O-CB 3.31Å; D191-E195 WeakPolarHBondContact O-CB 3.3Å; D191-E195 PolarHBondContact O-N 2.71Å; D191-P217 HydrophobicContact CB-CG 3.99Å; D191-P217 WeakPolarHBondContact OD2-CB 3.34Å; D191-T219 WeakPolarHBondContact CB-OG1 3.28Å
192G98.8Very high98.7Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-69.9-36.2-179.800000113.1H141 G190 A196H141-G192 CarbonylContact O-C 3.56Å; H141-G192 WeakPolarHBondContact O-CA 3.33Å; H141-G192 PolarHBondContact O-N 3.28Å; H141-G192 VanDerWaalsContact O-N 3.08Å; G190-G192 PolarHBondContact O-N 2.89Å; G192-A196 WeakPolarHBondContact O-CB 3.34Å; G192-A196 PolarHBondContact O-N 2.93Å; G192-A196 VanDerWaalsContact O-N 3.12Å
193V98.9Very high98.7Very high0 Ų026.2 Ų26.20%013%0.125CC..Hα-helixtrans-71.3-43.5174.4-174.80000110.6H141 I157 V158 I161 Y182 G190 A196 F197 T205H141-V193 HydrophobicContact CB-CG2 3.87Å; H141-V193 PolarHBondContact O-N 3.27Å; I157-V193 HydrophobicContact CB-CG2 3.89Å; I157-V193 HydrophobicContact CD1-CG2 3.92Å; I157-V193 HydrophobicContact CG2-CG1 4.19Å; I157-V193 HydrophobicContact CG2-CG2 3.81Å; V158-V193 HydrophobicContact CG2-CB 4.38Å; V158-V193 HydrophobicContact CG2-CG1 4.41Å; V158-V193 HydrophobicContact CG2-CG2 4.19Å; I161-V193 HydrophobicContact CD1-CG1 4.03Å; Y182-V193 HydrophobicContact CD1-CB 4.09Å; Y182-V193 HydrophobicContact CD1-CG1 3.5Å; Y182-V193 VanDerWaalsContact CD1-CG1 3.5Å; Y182-V193 HydrophobicContact CD2-CG1 4.31Å; Y182-V193 HydrophobicContact CE1-CB 3.65Å; Y182-V193 HydrophobicContact CE1-CG1 3.55Å; Y182-V193 HydrophobicContact CE1-CG2 4.04Å; Y182-V193 HydrophobicContact CE2-CG1 4.35Å; Y182-V193 HydrophobicContact CG-CG1 3.89Å; G190-V193 PolarHBondContact O-N 2.84Å; V193-A196 PolarHBondContact O-N 2.81Å; V193-F197 HydrophobicContact CG1-CD2 4.04Å; V193-F197 HydrophobicContact CG1-CE2 4.13Å; V193-F197 VanDerWaalsContact O-CD2 3.28Å; V193-F197 WeakPolarHBondContact O-CD2 3.21Å; V193-F197 PolarHBondContact O-N 2.78Å; V193-T205 HydrophobicContact CG1-CG2 4.28Å
194E98.9Very high98.7Very high17 Ų1726.2 Ų26.28%0.07913%0.125CC..Hα-helixtrans-57.9-48174.8175.1165.9109.900111.9H189 G190 D191 A196 F197 W198 A244 N246H189-E194 IonicContact CE1-OE1 3.1Å; H189-E194 PolarHBondContact CE1-OE1 3.09Å; H189-E194 IonicContact NE2-OE1 2.75Å; H189-E194 PolarHBondContact NE2-OE1 3.05Å; H189-E194 IonicContact NE2-OE2 2.62Å; G190-E194 PolarHBondContact O-N 2.86Å; D191-E194 PolarHBondContact O-N 3.12Å; E194-A196 PolarHBondContact O-N 3.32Å; E194-F197 CarbonylContact O-C 3.56Å; E194-F197 PolarHBondContact O-N 3.09Å; E194-W198 HydrophobicContact CG-CE3 3.81Å; E194-W198 HydrophobicContact CG-CZ3 3.83Å; E194-W198 PolarHBondContact O-N 3.28Å; E194-W198 WeakPolarHBondContact OE1-CZ3 3.4Å; E194-A244 HydrophobicContact CG-CB 3.92Å; E194-N246 PolarHBondContact OE1-ND2 2.97Å; E194-N246 PolarHBondContact OE2-ND2 2.93Å; E194-N246 PolarHBondContact OE2-OD1 3.37Å
195E98.8Very high98.7Very high119 Ų11926.4 Ų26.456%0.55613%0.127SC*.Hα-helixtrans-62.1-44.7179.5-173.9-178.8-179.600111.9K144 D191 F197 W198K144-E195 VanDerWaalsContact CD-OE2 3.25Å; K144-E195 WeakPolarHBondContact CD-OE2 3.26Å; K144-E195 WeakPolarHBondContact CE-OE2 3.39Å; D191-E195 VanDerWaalsContact O-CB 3.31Å; D191-E195 WeakPolarHBondContact O-CB 3.3Å; D191-E195 PolarHBondContact O-N 2.71Å; E195-F197 PolarHBondContact O-N 3.11Å; E195-F197 VanDerWaalsContact O-N 3.14Å; E195-W198 VanDerWaalsContact O-CB 3.29Å; E195-W198 WeakPolarHBondContact O-CB 3.41Å; E195-W198 PolarHBondContact O-N 2.89Å
196A98.7Very high98.7Very high36 Ų3626.4 Ų26.430%0.29813%0.127SC..Hα-helixtrans-58.4-30.7-179.300000113.1F62 V158 G192 V193 E194F62-A196 HydrophobicContact CD2-CB 4.26Å; F62-A196 HydrophobicContact CE2-CB 3.56Å; F62-A196 HydrophobicContact CZ-CB 3.98Å; V158-A196 HydrophobicContact CB-CB 4.33Å; V158-A196 HydrophobicContact CG1-CB 3.76Å; V158-A196 HydrophobicContact CG2-CB 3.51Å; G192-A196 WeakPolarHBondContact O-CB 3.34Å; G192-A196 PolarHBondContact O-N 2.93Å; G192-A196 VanDerWaalsContact O-N 3.12Å; V193-A196 PolarHBondContact O-N 2.81Å; E194-A196 PolarHBondContact O-N 3.32Å
197F98.8Very high98.7Very high18 Ų1826.6 Ų26.68%0.07913%0.128CC..Hα-helixtrans-11010.5-178.3-61.8-64.6000114.2V158 I161 V193 E194 E195 Y199 S200 V203 T205V158-F197 HydrophobicContact CB-CE2 4.39Å; V158-F197 HydrophobicContact CG1-CE2 4.21Å; V158-F197 HydrophobicContact CG1-CZ 4.01Å; V158-F197 HydrophobicContact CG2-CE2 4.12Å; I161-F197 HydrophobicContact CB-CE2 3.93Å; I161-F197 HydrophobicContact CB-CZ 3.75Å; I161-F197 HydrophobicContact CD1-CE2 4Å; I161-F197 HydrophobicContact CG2-CD2 4.5Å; I161-F197 HydrophobicContact CG2-CE1 4Å; I161-F197 HydrophobicContact CG2-CE2 3.65Å; I161-F197 HydrophobicContact CG2-CZ 3.36Å; V193-F197 HydrophobicContact CG1-CD2 4.04Å; V193-F197 HydrophobicContact CG1-CE2 4.13Å; V193-F197 VanDerWaalsContact O-CD2 3.28Å; V193-F197 WeakPolarHBondContact O-CD2 3.21Å; V193-F197 PolarHBondContact O-N 2.78Å; E194-F197 CarbonylContact O-C 3.56Å; E194-F197 PolarHBondContact O-N 3.09Å; E195-F197 PolarHBondContact O-N 3.11Å; E195-F197 VanDerWaalsContact O-N 3.14Å; F197-Y199 PolarHBondContact O-N 2.85Å; F197-S200 PolarHBondContact O-N 2.83Å; F197-V203 HydrophobicContact CB-CB 3.95Å; F197-V203 HydrophobicContact CB-CG1 4.03Å; F197-V203 HydrophobicContact CD1-CB 3.74Å; F197-V203 HydrophobicContact CD1-CG1 4.05Å; F197-V203 HydrophobicContact CD1-CG2 3.68Å; F197-V203 HydrophobicContact CD2-CB 4.21Å; F197-V203 HydrophobicContact CD2-CG1 3.61Å; F197-V203 HydrophobicContact CE1-CB 4.32Å; F197-V203 HydrophobicContact CE1-CG1 4.46Å; F197-V203 HydrophobicContact CE1-CG2 3.82Å; F197-V203 HydrophobicContact CE2-CG1 4.06Å; F197-V203 HydrophobicContact CG-CB 3.69Å; F197-V203 HydrophobicContact CG-CG1 3.61Å; F197-V203 HydrophobicContact CG-CG2 4.13Å; F197-V203 HydrophobicContact CZ-CG1 4.47Å; F197-V203 HydrophobicContact CZ-CG2 4.39Å; F197-T205 HydrophobicContact CB-CG2 4.48Å
198W98.8Very high98.7Very high48 Ų4826.6 Ų26.618%0.18213%0.128CC..THydrogen-bonded Turntrans-51.7-30.1-176.3-167.7-105.9000115E194 E195 L234 G236 A237 A244E194-W198 HydrophobicContact CG-CE3 3.81Å; E194-W198 HydrophobicContact CG-CZ3 3.83Å; E194-W198 PolarHBondContact O-N 3.28Å; E194-W198 WeakPolarHBondContact OE1-CZ3 3.4Å; E195-W198 VanDerWaalsContact O-CB 3.29Å; E195-W198 WeakPolarHBondContact O-CB 3.41Å; E195-W198 PolarHBondContact O-N 2.89Å; W198-L234 HydrophobicContact CH2-CB 3.63Å; W198-L234 HydrophobicContact CZ2-CB 3.86Å; W198-G236 VanDerWaalsContact CE2-CA 3.42Å; W198-G236 VanDerWaalsContact CZ2-N 3.28Å; W198-G236 WeakPolarHBondContact O-CA 3.45Å; W198-A237 VanDerWaalsContact NE1-CB 3.32Å; W198-A237 PolarHBondContact O-N 2.94Å; W198-A244 HydrophobicContact CE3-CB 4.09Å; W198-A244 HydrophobicContact CZ3-CB 3.85Å
199Y98.8Very high98.7Very high161 Ų16126.1 Ų26.163%0.63113%0.126SC*.THydrogen-bonded Turntrans-1053.3-179.4-62.8-85.6000114.3F197 A237 G240F197-Y199 PolarHBondContact O-N 2.85Å; Y199-A237 WeakPolarHBondContact CA-O 3.33Å; Y199-A237 HydrophobicContact CD1-CB 3.94Å; Y199-A237 WeakPolarHBondContact CD1-O 3.34Å; Y199-A237 HydrophobicContact CE1-CB 3.5Å; Y199-G240 PolarHBondContact O-N 2.8Å
200S98.3Very high98.6Very high35 Ų3526.6 Ų26.625%0.24513%0.128CC..  trans-109.9110.1-173.5-179.10000111.9F197 R202 V203 S243F197-S200 PolarHBondContact O-N 2.83Å; S200-R202 PolarHBondContact O-N 3.12Å; S200-V203 PolarHBondContact O-N 3.45Å; S200-V203 VanDerWaalsContact O-O 3.12Å; S200-S243 PolarHBondContact O-OG 3.46Å
201P97.5Very high98.6Very high25 Ų2527.7 Ų27.716%0.16214%0.137CC..THydrogen-bonded Turntrans-71.7-11.9176.128-32.5000113.4V203 R239 Y418 N422P201-V203 VanDerWaalsContact C-N 3.34Å; P201-R239 WeakPolarHBondContact CB-O 3.42Å; P201-R239 HydrophobicContact CG-CB 4.22Å; P201-R239 WeakPolarHBondContact CG-O 3.26Å; P201-Y418 HydrophobicContact CB-CE2 4.37Å; P201-Y418 PolarHBondContact O-OH 3.4Å; P201-N422 WeakPolarHBondContact CB-OD1 3.44Å
202R97Very high98.5Very high58 Ų5829.1 Ų29.122%0.21915%0.148CC..THydrogen-bonded Turntrans-82.8-14.8-176.4-64.3-177.765.1-157-3.7113V165 T178 R179 V180 S200V165-R202 HydrophobicContact CG2-CB 3.85Å; V165-R202 PolarHBondContact O-NH1 3.02Å; V165-R202 PolarHBondContact O-NH2 3.36Å; T178-R202 VanDerWaalsContact O-CZ 3.32Å; T178-R202 PolarHBondContact O-NE 2.96Å; T178-R202 PolarHBondContact O-NH2 3.2Å; R179-R202 CarbonylContact C-O 3.59Å; R179-R202 VanDerWaalsContact CA-O 3.24Å; R179-R202 WeakPolarHBondContact CA-O 3.48Å; V180-R202 PolarHBondContact N-O 2.93Å; S200-R202 PolarHBondContact O-N 3.12Å
203V98.6Very high98.4Very high0 Ų035.8 Ų35.80%019%0.191CC..EExtended strand (participates in β ladder)trans-121.3108.3173.8-178.80000106I161 V165 V180 F197 S200 P201 T205I161-V203 HydrophobicContact CG2-CB 4.32Å; I161-V203 HydrophobicContact CG2-CG1 3.7Å; I161-V203 HydrophobicContact CG2-CG2 3.62Å; V165-V203 HydrophobicContact CB-CG2 4.27Å; V165-V203 HydrophobicContact CG1-CG2 4.44Å; V165-V203 HydrophobicContact CG2-CG2 4.11Å; V180-V203 HydrophobicContact CB-CG1 4.49Å; V180-V203 HydrophobicContact CB-CG2 4.36Å; V180-V203 WeakPolarHBondContact O-CA 3.43Å; F197-V203 HydrophobicContact CB-CB 3.95Å; F197-V203 HydrophobicContact CB-CG1 4.03Å; F197-V203 HydrophobicContact CD1-CB 3.74Å; F197-V203 HydrophobicContact CD1-CG1 4.05Å; F197-V203 HydrophobicContact CD1-CG2 3.68Å; F197-V203 HydrophobicContact CD2-CB 4.21Å; F197-V203 HydrophobicContact CD2-CG1 3.61Å; F197-V203 HydrophobicContact CE1-CB 4.32Å; F197-V203 HydrophobicContact CE1-CG1 4.46Å; F197-V203 HydrophobicContact CE1-CG2 3.82Å; F197-V203 HydrophobicContact CE2-CG1 4.06Å; F197-V203 HydrophobicContact CG-CB 3.69Å; F197-V203 HydrophobicContact CG-CG1 3.61Å; F197-V203 HydrophobicContact CG-CG2 4.13Å; F197-V203 HydrophobicContact CZ-CG1 4.47Å; F197-V203 HydrophobicContact CZ-CG2 4.39Å; S200-V203 PolarHBondContact O-N 3.45Å; S200-V203 VanDerWaalsContact O-O 3.12Å; P201-V203 VanDerWaalsContact C-N 3.34Å; V203-T205 HydrophobicContact CG1-CG2 4.43Å
204V98.9Very high98.3Very high0 Ų040 Ų400%024%0.235CC..EExtended strand (participates in β ladder)trans-92.6126.2174.5176.80000107.5V180 L181 Y182 S243 F245 L269 I273 Y418V180-V204 PolarHBondContact O-N 2.79Å; L181-V204 HydrophobicContact CD1-CB 4.26Å; L181-V204 HydrophobicContact CD1-CG1 4.12Å; Y182-V204 PolarHBondContact N-O 2.89Å; V204-S243 WeakPolarHBondContact CA-O 3.45Å; V204-S243 WeakPolarHBondContact CG1-O 3.14Å; V204-F245 HydrophobicContact CG1-CD2 3.56Å; V204-F245 HydrophobicContact CG1-CE2 3.56Å; V204-L269 HydrophobicContact CG1-CD2 4.37Å; V204-I273 HydrophobicContact CB-CD1 3.72Å; V204-I273 HydrophobicContact CG1-CD1 3.57Å; V204-I273 HydrophobicContact CG2-CD1 3.81Å; V204-I273 HydrophobicContact CG2-CG1 4.12Å; V204-I273 HydrophobicContact CG2-CG2 4.27Å; V204-Y418 HydrophobicContact CG2-CE1 4.12Å; V204-Y418 HydrophobicContact CG2-CE2 3.73Å; V204-Y418 VanDerWaalsContact CG2-CZ 3.47Å; V204-Y418 WeakPolarHBondContact CG2-OH 3.45Å
205T99Very high98.3Very high4 Ų440.7 Ų40.73%0.02524%0.238CC..EExtended strand (participates in β ladder)trans-102136.4176.258.90000109.5Y182 V193 F197 V203 S243 A244 F245Y182-T205 HydrophobicContact CD1-CG2 3.94Å; V193-T205 HydrophobicContact CG1-CG2 4.28Å; F197-T205 HydrophobicContact CB-CG2 4.48Å; V203-T205 HydrophobicContact CG1-CG2 4.43Å; T205-S243 PolarHBondContact N-O 3.25Å; T205-A244 WeakPolarHBondContact OG1-CA 3.49Å; T205-F245 WeakPolarHBondContact O-CB 3.23Å; T205-F245 PolarHBondContact O-N 2.8Å
206F98.9Very high98.2Very high0 Ų038.8 Ų38.80%023%0.228CC..EExtended strand (participates in β ladder)trans-130.9120.6169.3170.8-130.3000109.1Y182 V183 D184 V208 F245 L247 I262 I265 L266 L269Y182-F206 PolarHBondContact O-N 3.21Å; V183-F206 CarbonylContact C-O 3.53Å; V183-F206 WeakPolarHBondContact CA-O 3.49Å; V183-F206 HydrophobicContact CG1-CD1 4.2Å; D184-F206 PolarHBondContact N-O 3.21Å; F206-V208 HydrophobicContact CZ-CB 4.19Å; F206-F245 CarbonylContact C-O 3.57Å; F206-F245 VanDerWaalsContact CA-O 3.24Å; F206-F245 WeakPolarHBondContact CA-O 3.49Å; F206-F245 HydrophobicContact CB-CB 4.19Å; F206-F245 HydrophobicContact CD2-CB 3.91Å; F206-F245 HydrophobicContact CG-CB 4.47Å; F206-L247 HydrophobicContact CE2-CB 3.9Å; F206-L247 HydrophobicContact CZ-CB 4.33Å; F206-I262 HydrophobicContact CZ-CB 4.48Å; F206-I262 HydrophobicContact CZ-CG2 4.3Å; F206-I265 HydrophobicContact CD1-CG2 4.32Å; F206-I265 HydrophobicContact CD2-CG2 4.3Å; F206-I265 HydrophobicContact CE1-CG2 3.95Å; F206-I265 HydrophobicContact CE2-CG2 3.95Å; F206-I265 HydrophobicContact CG-CG2 4.49Å; F206-I265 HydrophobicContact CZ-CB 4.36Å; F206-I265 HydrophobicContact CZ-CD1 4.31Å; F206-I265 HydrophobicContact CZ-CG2 3.76Å; F206-L266 HydrophobicContact CD1-CD2 3.8Å; F206-L266 HydrophobicContact CE1-CD2 3.81Å; F206-L266 HydrophobicContact CE1-CG 4.31Å; F206-L269 HydrophobicContact CB-CD1 3.74Å; F206-L269 HydrophobicContact CD1-CD1 3.81Å; F206-L269 HydrophobicContact CG-CD1 3.75Å
207S98.9Very high98.2Very high4 Ų438.6 Ų38.63%0.02822%0.224CC..EExtended strand (participates in β ladder)trans-119.8131172.9-178.30000110.8G190 H209 F245 N246 L247G190-S207 PolarHBondContact N-OG 3.49Å; S207-H209 PolarHBondContact O-ND1 3Å; S207-H209 PolarHBondContact OG-ND1 3.43Å; S207-F245 PolarHBondContact N-O 2.57Å; S207-N246 CarbonylContact O-C 3.46Å; S207-N246 WeakPolarHBondContact O-CA 3.48Å; S207-L247 PolarHBondContact O-N 2.95Å
208V98.8Very high98.1Very high1 Ų140.3 Ų40.31%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-108.2129.5165.555.60000107.5D184 L185 D186 F206 L247 L249 W258 I262D184-V208 WeakPolarHBondContact O-CG1 3.28Å; D184-V208 PolarHBondContact O-N 3.29Å; D184-V208 VanDerWaalsContact O-N 3.12Å; L185-V208 HydrophobicContact CD2-CG1 3.86Å; D186-V208 VanDerWaalsContact O-O 3.08Å; F206-V208 HydrophobicContact CZ-CB 4.19Å; V208-L247 WeakPolarHBondContact CA-O 3.49Å; V208-L247 HydrophobicContact CB-CB 4.44Å; V208-L247 HydrophobicContact CG2-CB 4.43Å; V208-L247 HydrophobicContact CG2-CD2 4.11Å; V208-L247 HydrophobicContact CG2-CG 4.45Å; V208-L249 HydrophobicContact CG2-CD1 3.62Å; V208-L249 HydrophobicContact CG2-CG 4.19Å; V208-W258 HydrophobicContact CG1-CZ2 3.69Å; V208-I262 HydrophobicContact CB-CG2 3.9Å; V208-I262 HydrophobicContact CG1-CG2 4.02Å; V208-I262 HydrophobicContact CG2-CG2 3.68Å
209H98.7Very high98.1Very high0 Ų041.1 Ų41.10%026%0.257CS..EExtended strand (participates in β ladder)trans-161.6168-17046.5-95.2000111.1L187 H189 S207 G220 N246 L247 P248 L249L187-H209 WeakPolarHBondContact O-CA 3.42Å; L187-H209 VanDerWaalsContact O-CB 3.3Å; L187-H209 WeakPolarHBondContact O-CB 3.49Å; H189-H209 HydrophobicContact CB-CB 4.49Å; H189-H209 AromaticContact CD2-CE1 3.28Å; H189-H209 PolarHBondContact CD2-CE1 3.11Å; H189-H209 AromaticContact CD2-ND1 3.62Å; H189-H209 AromaticContact CD2-NE2 3.97Å; H189-H209 AromaticContact CG-CE1 3.77Å; S207-H209 PolarHBondContact O-ND1 3Å; S207-H209 PolarHBondContact OG-ND1 3.43Å; H209-G220 WeakPolarHBondContact NE2-CA 3.34Å; H209-G220 PolarHBondContact NE2-O 2.94Å; H209-G220 VanDerWaalsContact NE2-O 3.15Å; H209-N246 PolarHBondContact CE1-OD1 3.42Å; H209-L247 PolarHBondContact N-O 2.9Å; H209-P248 CarbonylContact O-C 3.6Å; H209-P248 WeakPolarHBondContact O-CA 3.03Å; H209-L249 PolarHBondContact O-N 2.92Å
210H98.2Very high98.1Very high11 Ų1133.9 Ų33.95%0.05123%0.231CC..EExtended strand (participates in β ladder)trans-79.6139.7164.1-178.557.8000110.7L187 S212 F215 L249 I294 F295L187-H210 HydrophobicContact CD1-CB 3.91Å; L187-H210 HydrophobicContact CG-CB 4.46Å; L187-H210 PolarHBondContact O-N 2.84Å; H210-S212 WeakPolarHBondContact NE2-CB 3.48Å; H210-S212 PolarHBondContact NE2-OG 3.33Å; H210-F215 HydrophobicContact CB-CD1 4.38Å; H210-F215 HydrophobicContact CB-CE1 3.96Å; H210-F215 HydrophobicContact CB-CZ 4.33Å; H210-F215 AromaticContact CD2-CD1 3.59Å; H210-F215 AromaticContact CD2-CD2 3.67Å; H210-F215 AromaticContact CD2-CE1 3.79Å; H210-F215 AromaticContact CD2-CE2 3.87Å; H210-F215 AromaticContact CD2-CG 3.53Å; H210-F215 AromaticContact CD2-CZ 3.93Å; H210-F215 WeakPolarHBondContact O-CD1 3.37Å; H210-L249 PolarHBondContact ND1-O 3.32Å; H210-I294 HydrophobicContact CB-CG2 3.72Å; H210-I294 VanDerWaalsContact CG-CG2 3.47Å; H210-F295 HydrophobicContact CB-CE1 3.84Å; H210-F295 HydrophobicContact CB-CZ 3.87Å
211A97.4Very high98.1Very high25 Ų2534.3 Ų34.321%0.20723%0.232CC..  trans-142123.7167.900000110.1T221 P248A211-T221 HydrophobicContact CB-CG2 4.01Å; A211-P248 HydrophobicContact CB-CB 3.78Å
212S96.8Very high98Very high50 Ų5038.7 Ų38.735%0.3525%0.245SC..  trans-147.1161.7174.162.40000109.9H210 G214 F215H210-S212 WeakPolarHBondContact NE2-CB 3.48Å; H210-S212 PolarHBondContact NE2-OG 3.33Å; S212-G214 PolarHBondContact O-N 3.16Å; S212-G214 VanDerWaalsContact O-N 3.12Å; S212-F215 WeakPolarHBondContact O-CB 3.35Å; S212-F215 PolarHBondContact O-N 2.88Å; S212-F215 WeakPolarHBondContact OG-CB 3.44Å
213P97.2Very high97.7Very high139 Ų13938.9 Ų38.990%0.90325%0.251SS*.THydrogen-bonded Turntrans-55.5119.2179.5-26.836000112.3
214G97Very high97.2Very high89 Ų8946.3 Ų46.392%0.91829%0.287SS*.THydrogen-bonded Turntrans88.8-4.8-17900000115.3S212S212-G214 PolarHBondContact O-N 3.16Å; S212-G214 VanDerWaalsContact O-N 3.12Å
215F98.2Very high96.8Very high32 Ų3250 Ų5014%0.1431%0.31CS..  trans-80.9133.4174.6-169.7-100.7000111.2L187 H188 H210 S212 G218 I294L187-F215 HydrophobicContact CD2-CZ 3.95Å; L187-F215 HydrophobicContact CG-CZ 4.01Å; H188-F215 AromaticContact CD2-CE1 3.62Å; H188-F215 AromaticContact CD2-CZ 3.57Å; H188-F215 AromaticContact NE2-CZ 3.57Å; H210-F215 HydrophobicContact CB-CD1 4.38Å; H210-F215 HydrophobicContact CB-CE1 3.96Å; H210-F215 HydrophobicContact CB-CZ 4.33Å; H210-F215 AromaticContact CD2-CD1 3.59Å; H210-F215 AromaticContact CD2-CD2 3.67Å; H210-F215 AromaticContact CD2-CE1 3.79Å; H210-F215 AromaticContact CD2-CE2 3.87Å; H210-F215 AromaticContact CD2-CG 3.53Å; H210-F215 AromaticContact CD2-CZ 3.93Å; H210-F215 WeakPolarHBondContact O-CD1 3.37Å; S212-F215 WeakPolarHBondContact O-CB 3.35Å; S212-F215 PolarHBondContact O-N 2.88Å; S212-F215 WeakPolarHBondContact OG-CB 3.44Å; F215-G218 WeakPolarHBondContact O-CA 3.42Å; F215-G218 PolarHBondContact O-N 3.46Å; F215-I294 HydrophobicContact CE2-CD1 4.49Å; F215-I294 HydrophobicContact CE2-CG1 4.18Å
216F98.5Very high96.4Very high78 Ų7858.2 Ų58.234%0.34235%0.354SS..THydrogen-bonded Turntrans-67.7142.6-178.7-178.4-92.1000111.5H142 S149H142-F216 AromaticContact CD2-CE1 3.71Å; H142-F216 AromaticContact CE1-CE1 3.62Å; H142-F216 AromaticContact CG-CE1 3.94Å; H142-F216 AromaticContact ND1-CE1 3.88Å; H142-F216 AromaticContact NE2-CE1 3.47Å; H142-F216 WeakPolarHBondContact NE2-CE1 3.37Å; S149-F216 WeakPolarHBondContact OG-CZ 3.49Å
217P98.4Very high96Very high33 Ų3362.2 Ų62.221%0.21438%0.375CS..THydrogen-bonded Turncis-896-4.235.5-35.5000114.1H189 D191 T219H189-P217 HydrophobicContact CB-CG 3.97Å; D191-P217 HydrophobicContact CB-CG 3.99Å; D191-P217 WeakPolarHBondContact OD2-CB 3.34Å; P217-T219 VanDerWaalsContact C-N 3.32Å; P217-T219 PolarHBondContact O-N 3.32Å
218G97.1Very high95.6Very high53 Ų5369.6 Ų69.655%0.54641%0.414SS..  trans82.10.9-179.300000115.5F215F215-G218 WeakPolarHBondContact O-CA 3.42Å; F215-G218 PolarHBondContact O-N 3.46Å
219T98.5Very high95.2Very high66 Ų6677 Ų7741%0.40545%0.446SS..  trans-104.8-175.9176.852.80000111.5H189 D191 P217 T221H189-T219 PolarHBondContact ND1-OG1 3.12Å; D191-T219 WeakPolarHBondContact CB-OG1 3.28Å; P217-T219 VanDerWaalsContact C-N 3.32Å; P217-T219 PolarHBondContact O-N 3.32Å; T219-T221 VanDerWaalsContact C-N 3.28Å; T219-T221 PolarHBondContact O-N 3.21Å
220G98.1Very high94.8Very high8 Ų884.5 Ų84.58%0.08249%0.486CS..SBendtrans79.53.9178.900000115.1H189 H209 F233 N246H189-G220 PolarHBondContact CE1-N 3.15Å; H189-G220 PolarHBondContact ND1-N 3.03Å; H209-G220 WeakPolarHBondContact NE2-CA 3.34Å; H209-G220 PolarHBondContact NE2-O 2.94Å; H209-G220 VanDerWaalsContact NE2-O 3.15Å; G220-F233 WeakPolarHBondContact O-CE1 3.23Å; G220-N246 VanDerWaalsContact O-CB 3.25Å; G220-N246 WeakPolarHBondContact O-CB 3.37Å
221T97.9Very high94.6Very high45 Ų4586.3 Ų86.328%0.27650%0.498SS..SBendtrans-127.7-169.3179.7-166.90000112.3A211 T219 N223A211-T221 HydrophobicContact CB-CG2 4.01Å; T219-T221 VanDerWaalsContact C-N 3.28Å; T219-T221 PolarHBondContact O-N 3.21Å; T221-N223 PolarHBondContact O-N 2.94Å
222W96.3Very high94.4Very high117 Ų11790 Ų9044%0.44351%0.513SS..PPolyproline II helixtrans-52.9120.2175-61.1102.7000111.3M224 P231 F233W222-M224 PolarHBondContact O-N 3.3Å; W222-P231 HydrophobicContact CB-CB 3.83Å; W222-P231 HydrophobicContact CE3-CB 4.43Å; W222-P231 VanDerWaalsContact CE3-O 3.25Å; W222-P231 WeakPolarHBondContact CZ3-O 3.43Å; W222-F233 AromaticContact CD2-CD2 3.74Å; W222-F233 HydrophobicContact CD2-CD2 3.74Å; W222-F233 AromaticContact CD2-CE2 3.37Å; W222-F233 HydrophobicContact CD2-CE2 3.37Å; W222-F233 HydrophobicContact CD2-CZ 4.34Å; W222-F233 AromaticContact CE2-CE2 3.37Å; W222-F233 AromaticContact CE3-CD2 3.47Å; W222-F233 HydrophobicContact CE3-CD2 3.47Å; W222-F233 VanDerWaalsContact CE3-CD2 3.47Å; W222-F233 AromaticContact CE3-CE2 3.64Å; W222-F233 HydrophobicContact CE3-CE2 3.64Å; W222-F233 HydrophobicContact CG-CD2 4.45Å; W222-F233 AromaticContact CG-CE2 3.89Å; W222-F233 HydrophobicContact CG-CE2 3.89Å; W222-F233 HydrophobicContact CG-CZ 4.46Å; W222-F233 AromaticContact CH2-CD2 3.93Å; W222-F233 HydrophobicContact CH2-CD2 3.93Å; W222-F233 AromaticContact CH2-CE2 3.89Å; W222-F233 HydrophobicContact CH2-CE2 3.89Å; W222-F233 HydrophobicContact CZ2-CD2 4.16Å; W222-F233 AromaticContact CZ2-CE2 3.64Å; W222-F233 HydrophobicContact CZ2-CE2 3.64Å; W222-F233 AromaticContact CZ3-CD2 3.58Å; W222-F233 HydrophobicContact CZ3-CD2 3.58Å; W222-F233 AromaticContact CZ3-CE2 3.9Å; W222-F233 HydrophobicContact CZ3-CE2 3.9Å; W222-F233 AromaticContact NE1-CE2 3.81Å
223N90.8Very high94.5Very high61 Ų6188.5 Ų88.533%0.32650%0.501SS..BIsolated β-bridgetrans-78.8125.3-176.3-169.547.4000111.2T221 I232 L234T221-N223 PolarHBondContact O-N 2.94Å; N223-I232 WeakPolarHBondContact CB-O 3.44Å; N223-I232 PolarHBondContact N-O 3.2Å; N223-L234 HydrophobicContact CB-CD1 4.4Å; N223-L234 HydrophobicContact CB-CG 4.11Å
224M87.7Confident94.5Very high156 Ų15685.8 Ų85.877%0.76848%0.478SS*.PPolyproline II helixtrans-88.5126.5177.1-61.8-62.8-161.100109.9W222 P231W222-M224 PolarHBondContact O-N 3.3Å; M224-P231 HydrophobicContact SD-CG 4.06Å
225V89.3Confident94.6Very high79 Ų7983 Ų8348%0.47944%0.442SS..  trans-136.6152.1177.1-75.70000109N227V225-N227 WeakPolarHBondContact CG2-ND2 3.36Å; V225-N227 PolarHBondContact O-N 3.1Å
226D90.7Very high94.6Very high176 Ų17681.9 Ų81.994%0.94144%0.44SS*.SBendtrans-7374179.7-173.220.8000111.2
227N91.4Very high94.6Very high84 Ų8479.3 Ų79.345%0.44943%0.433SS..SBendtrans-158.1169.8167.459.270.8000110.6V225 K229V225-N227 WeakPolarHBondContact CG2-ND2 3.36Å; V225-N227 PolarHBondContact O-N 3.1Å; N227-K229 VanDerWaalsContact C-N 3.33Å; N227-K229 VanDerWaalsContact OD1-CB 3.26Å; N227-K229 WeakPolarHBondContact OD1-CB 3.4Å; N227-K229 PolarHBondContact OD1-N 3.06Å; N227-K229 VanDerWaalsContact OD1-N 3.12Å
228D91Very high94.6Very high159 Ų15980.5 Ų80.585%0.8545%0.451SS*.SBendtrans-87.23.4-177.661.9-5.9000114.1
229K90.5Very high94.6Very high156 Ų15687.8 Ų87.868%0.67846%0.462SS*.SBendtrans-75.6151.9179.1-59.1-179.5178.3175.50109.9N227N227-K229 VanDerWaalsContact C-N 3.33Å; N227-K229 VanDerWaalsContact OD1-CB 3.26Å; N227-K229 WeakPolarHBondContact OD1-CB 3.4Å; N227-K229 PolarHBondContact OD1-N 3.06Å; N227-K229 VanDerWaalsContact OD1-N 3.12Å
230L89.6Confident94.6Very high158 Ų15884.7 Ų84.783%0.82744%0.443SS*.PPolyproline II helixtrans-53.9131.3170.1-81.1164.4000109.8
231P93.2Very high94.7Very high49 Ų4991 Ų9132%0.31846%0.464SS..PPolyproline II helixtrans-51145.9173.4-30.137.1000111.7W222 M224W222-P231 HydrophobicContact CB-CB 3.83Å; W222-P231 HydrophobicContact CE3-CB 4.43Å; W222-P231 VanDerWaalsContact CE3-O 3.25Å; W222-P231 WeakPolarHBondContact CZ3-O 3.43Å; M224-P231 HydrophobicContact SD-CG 4.06Å
232I94.5Very high94.7Very high102 Ų10291 Ų9152%0.52346%0.46SS..BIsolated β-bridgetrans-121.2154.5-179.861.8169.3000110.7N223 L234N223-I232 WeakPolarHBondContact CB-O 3.44Å; N223-I232 PolarHBondContact N-O 3.2Å; I232-L234 HydrophobicContact CD1-CD2 4.21Å; I232-L234 HydrophobicContact CG1-CD2 4.48Å
233F97.8Very high94.8Very high19 Ų1985.4 Ų85.48%0.08344%0.439CS..  trans-81.3119.8164.8-87.3-95.6000109.5G220 W222 N246 P248 H407 R410G220-F233 WeakPolarHBondContact O-CE1 3.23Å; W222-F233 AromaticContact CD2-CD2 3.74Å; W222-F233 HydrophobicContact CD2-CD2 3.74Å; W222-F233 AromaticContact CD2-CE2 3.37Å; W222-F233 HydrophobicContact CD2-CE2 3.37Å; W222-F233 HydrophobicContact CD2-CZ 4.34Å; W222-F233 AromaticContact CE2-CE2 3.37Å; W222-F233 AromaticContact CE3-CD2 3.47Å; W222-F233 HydrophobicContact CE3-CD2 3.47Å; W222-F233 VanDerWaalsContact CE3-CD2 3.47Å; W222-F233 AromaticContact CE3-CE2 3.64Å; W222-F233 HydrophobicContact CE3-CE2 3.64Å; W222-F233 HydrophobicContact CG-CD2 4.45Å; W222-F233 AromaticContact CG-CE2 3.89Å; W222-F233 HydrophobicContact CG-CE2 3.89Å; W222-F233 HydrophobicContact CG-CZ 4.46Å; W222-F233 AromaticContact CH2-CD2 3.93Å; W222-F233 HydrophobicContact CH2-CD2 3.93Å; W222-F233 AromaticContact CH2-CE2 3.89Å; W222-F233 HydrophobicContact CH2-CE2 3.89Å; W222-F233 HydrophobicContact CZ2-CD2 4.16Å; W222-F233 AromaticContact CZ2-CE2 3.64Å; W222-F233 HydrophobicContact CZ2-CE2 3.64Å; W222-F233 AromaticContact CZ3-CD2 3.58Å; W222-F233 HydrophobicContact CZ3-CD2 3.58Å; W222-F233 AromaticContact CZ3-CE2 3.9Å; W222-F233 HydrophobicContact CZ3-CE2 3.9Å; W222-F233 AromaticContact NE1-CE2 3.81Å; F233-N246 HydrophobicContact CD1-CB 4.49Å; F233-N246 HydrophobicContact CE1-CB 4.22Å; F233-P248 HydrophobicContact CE1-CG 4.15Å; F233-P248 HydrophobicContact CZ-CG 3.73Å; F233-H407 AromaticContact CE2-CE1 3.84Å; F233-H407 AromaticContact CZ-CE1 3.73Å; F233-R410 VanDerWaalsContact CG-NH1 3.28Å
234L98.1Very high95.2Very high81 Ų8182.6 Ų82.642%0.42443%0.425SS..  trans-70.7146.2161.9-58.1-176.7000108.7W198 N223 I232W198-L234 HydrophobicContact CH2-CB 3.63Å; W198-L234 HydrophobicContact CZ2-CB 3.86Å; N223-L234 HydrophobicContact CB-CD1 4.4Å; N223-L234 HydrophobicContact CB-CG 4.11Å; I232-L234 HydrophobicContact CD1-CD2 4.21Å; I232-L234 HydrophobicContact CG1-CD2 4.48Å
235N98.5Very high95.7Very high32 Ų3275.2 Ų75.217%0.17139%0.388CS..  trans-149.937.6-168.656.126.7000113.5F242 S243N235-F242 CarbonylContact O-C 3.55Å; N235-F242 WeakPolarHBondContact O-CA 3.46Å; N235-F242 PolarHBondContact O-N 2.73Å; N235-S243 PolarHBondContact O-N 3.23Å
236G98.6Very high96.2Very high8 Ų871.6 Ų71.68%0.08237%0.366CS..  trans94.4166.3-174.300000113.6W198 G240W198-G236 VanDerWaalsContact CE2-CA 3.42Å; W198-G236 VanDerWaalsContact CZ2-N 3.28Å; W198-G236 WeakPolarHBondContact O-CA 3.45Å; G236-G240 WeakPolarHBondContact CA-O 3.43Å
237A98.5Very high96.5Very high24 Ų2463.2 Ų63.220%0.19832%0.321CS..  trans-141.5165.1-176.500000113.2W198 Y199 R239 G240 R241W198-A237 VanDerWaalsContact NE1-CB 3.32Å; W198-A237 PolarHBondContact O-N 2.94Å; Y199-A237 WeakPolarHBondContact CA-O 3.33Å; Y199-A237 HydrophobicContact CD1-CB 3.94Å; Y199-A237 WeakPolarHBondContact CD1-O 3.34Å; Y199-A237 HydrophobicContact CE1-CB 3.5Å; A237-R239 PolarHBondContact O-N 3.24Å; A237-G240 CarbonylContact O-C 3.41Å; A237-G240 WeakPolarHBondContact O-CA 3.45Å; A237-G240 PolarHBondContact O-N 3.49Å; A237-R241 PolarHBondContact O-N 3.22Å
238G98.4Very high96.8Very high58 Ų5859.9 Ų59.960%0.59830%0.304SS*.G310 helixtrans55.6-124.9-17700000111.5G240 R241G238-G240 VanDerWaalsContact C-N 3.29Å; G238-R241 PolarHBondContact O-N 3.35Å
239R97.8Very high97.1Very high206 Ų20652.8 Ų52.878%0.77727%0.266SS*.G310 helixtrans-72.6-21.2175.8-68.3-176.5177.1176.5-0.3113.2P201 A237 R241P201-R239 WeakPolarHBondContact CB-O 3.42Å; P201-R239 HydrophobicContact CG-CB 4.22Å; P201-R239 WeakPolarHBondContact CG-O 3.26Å; A237-R239 PolarHBondContact O-N 3.24Å; R239-R241 VanDerWaalsContact C-N 3.31Å
240G98.5Very high97.3Very high0 Ų050.8 Ų50.80%026%0.259CS..G310 helixtrans-87.410.217600000113.8Y199 G236 A237 G238 F242 S243Y199-G240 PolarHBondContact O-N 2.8Å; G236-G240 WeakPolarHBondContact CA-O 3.43Å; A237-G240 CarbonylContact O-C 3.41Å; A237-G240 WeakPolarHBondContact O-CA 3.45Å; A237-G240 PolarHBondContact O-N 3.49Å; G238-G240 VanDerWaalsContact C-N 3.29Å; G240-F242 PolarHBondContact O-N 3.18Å; G240-S243 WeakPolarHBondContact CA-OG 3.42Å; G240-S243 WeakPolarHBondContact O-CB 3.13Å; G240-S243 PolarHBondContact O-N 2.85Å; G240-S243 PolarHBondContact O-OG 3.36Å
241R98.7Very high97.6Very high140 Ų14049 Ų4953%0.52825%0.247SC..THydrogen-bonded Turntrans-57.9136.8175.5-174.3-179.1-89174.7-7.4110.1A237 G238 R239 S243 L421A237-R241 PolarHBondContact O-N 3.22Å; G238-R241 PolarHBondContact O-N 3.35Å; R239-R241 VanDerWaalsContact C-N 3.31Å; R241-S243 VanDerWaalsContact C-N 3.26Å; R241-S243 PolarHBondContact O-N 3.47Å; R241-L421 HydrophobicContact CB-CD2 3.96Å; R241-L421 WeakPolarHBondContact O-CD2 3.46Å
242F98.7Very high97.6Very high45 Ų4547.2 Ų47.220%0.19724%0.237CC..THydrogen-bonded Turntrans69.63.9-174.5-43.7-63.2000116N235 G240 F245 Q414 N417 L421N235-F242 CarbonylContact O-C 3.55Å; N235-F242 WeakPolarHBondContact O-CA 3.46Å; N235-F242 PolarHBondContact O-N 2.73Å; G240-F242 PolarHBondContact O-N 3.18Å; F242-F245 WeakPolarHBondContact O-CE2 3.3Å; F242-F245 VanDerWaalsContact O-CZ 3.25Å; F242-F245 WeakPolarHBondContact O-CZ 3.47Å; F242-Q414 HydrophobicContact CB-CG 3.96Å; F242-Q414 HydrophobicContact CD1-CG 4.24Å; F242-Q414 PolarHBondContact O-NE2 3.11Å; F242-Q414 VanDerWaalsContact O-NE2 3.12Å; F242-N417 HydrophobicContact CD1-CB 3.92Å; F242-N417 HydrophobicContact CD2-CB 3.69Å; F242-N417 HydrophobicContact CE1-CB 3.96Å; F242-N417 HydrophobicContact CE2-CB 3.74Å; F242-N417 HydrophobicContact CG-CB 3.78Å; F242-N417 HydrophobicContact CZ-CB 3.86Å; F242-L421 HydrophobicContact CD2-CB 4.44Å; F242-L421 HydrophobicContact CD2-CD2 3.98Å; F242-L421 HydrophobicContact CE2-CD2 4.36Å
243S98.8Very high97.6Very high1 Ų142.5 Ų42.51%0.00721%0.213CC..  trans-92.80.5-177.9730000115.3S200 V204 T205 N235 G240 R241S200-S243 PolarHBondContact O-OG 3.46Å; V204-S243 WeakPolarHBondContact CA-O 3.45Å; V204-S243 WeakPolarHBondContact CG1-O 3.14Å; T205-S243 PolarHBondContact N-O 3.25Å; N235-S243 PolarHBondContact O-N 3.23Å; G240-S243 WeakPolarHBondContact CA-OG 3.42Å; G240-S243 WeakPolarHBondContact O-CB 3.13Å; G240-S243 PolarHBondContact O-N 2.85Å; G240-S243 PolarHBondContact O-OG 3.36Å; R241-S243 VanDerWaalsContact C-N 3.26Å; R241-S243 PolarHBondContact O-N 3.47Å
244A98.9Very high97.4Very high2 Ų243 Ų432%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-113.6110.4176.100000110.4E194 W198 T205 Q414E194-A244 HydrophobicContact CG-CB 3.92Å; W198-A244 HydrophobicContact CE3-CB 4.09Å; W198-A244 HydrophobicContact CZ3-CB 3.85Å; T205-A244 WeakPolarHBondContact OG1-CA 3.49Å; A244-Q414 PolarHBondContact O-NE2 3.32Å
245F98.9Very high97.2Very high0 Ų039.3 Ų39.30%020%0.197CC..EExtended strand (participates in β ladder)trans-108.8134.9-174.6-66.8-97.3000110.7V204 T205 F206 S207 F242 L269 I411 Q414 L415V204-F245 HydrophobicContact CG1-CD2 3.56Å; V204-F245 HydrophobicContact CG1-CE2 3.56Å; T205-F245 WeakPolarHBondContact O-CB 3.23Å; T205-F245 PolarHBondContact O-N 2.8Å; F206-F245 CarbonylContact C-O 3.57Å; F206-F245 VanDerWaalsContact CA-O 3.24Å; F206-F245 WeakPolarHBondContact CA-O 3.49Å; F206-F245 HydrophobicContact CB-CB 4.19Å; F206-F245 HydrophobicContact CD2-CB 3.91Å; F206-F245 HydrophobicContact CG-CB 4.47Å; S207-F245 PolarHBondContact N-O 2.57Å; F242-F245 WeakPolarHBondContact O-CE2 3.3Å; F242-F245 VanDerWaalsContact O-CZ 3.25Å; F242-F245 WeakPolarHBondContact O-CZ 3.47Å; F245-L269 HydrophobicContact CD1-CD2 4.37Å; F245-L269 HydrophobicContact CD2-CD2 4.03Å; F245-L269 HydrophobicContact CE1-CD2 4.31Å; F245-L269 HydrophobicContact CE2-CD2 3.99Å; F245-L269 HydrophobicContact CG-CD2 4.23Å; F245-L269 HydrophobicContact CZ-CD2 4.14Å; F245-I411 HydrophobicContact CD1-CG2 3.98Å; F245-I411 HydrophobicContact CE1-CG2 4.37Å; F245-Q414 HydrophobicContact CD1-CB 4.47Å; F245-Q414 HydrophobicContact CD1-CG 4.13Å; F245-Q414 HydrophobicContact CE1-CB 3.87Å; F245-Q414 HydrophobicContact CE1-CG 3.56Å; F245-Q414 HydrophobicContact CZ-CG 3.93Å; F245-L415 HydrophobicContact CE1-CB 4.02Å; F245-L415 HydrophobicContact CE1-CD1 4.42Å; F245-L415 HydrophobicContact CZ-CB 4.19Å; F245-L415 HydrophobicContact CZ-CD1 3.9Å
246N98.8Very high96.9Very high3 Ų342.5 Ų42.52%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-135.3140.5179.7-71.4-57.6000111.7H189 E194 S207 H209 G220 F233 R410H189-N246 PolarHBondContact CD2-OD1 3.1Å; H189-N246 VanDerWaalsContact CD2-OD1 3.26Å; H189-N246 PolarHBondContact NE2-OD1 2.6Å; H189-N246 VanDerWaalsContact NE2-OD1 3.08Å; E194-N246 PolarHBondContact OE1-ND2 2.97Å; E194-N246 PolarHBondContact OE2-ND2 2.93Å; E194-N246 PolarHBondContact OE2-OD1 3.37Å; S207-N246 CarbonylContact O-C 3.46Å; S207-N246 WeakPolarHBondContact O-CA 3.48Å; H209-N246 PolarHBondContact CE1-OD1 3.42Å; G220-N246 VanDerWaalsContact O-CB 3.25Å; G220-N246 WeakPolarHBondContact O-CB 3.37Å; F233-N246 HydrophobicContact CD1-CB 4.49Å; F233-N246 HydrophobicContact CE1-CB 4.22Å; N246-R410 PolarHBondContact O-NH2 3.32Å
247L98.3Very high96.5Very high0 Ų044 Ų440%022%0.22CC..EExtended strand (participates in β ladder)trans-128.888.3172-177.469.2000109.5F206 S207 V208 H209 L249 A261 I262 I265 H407 I411F206-L247 HydrophobicContact CE2-CB 3.9Å; F206-L247 HydrophobicContact CZ-CB 4.33Å; S207-L247 PolarHBondContact O-N 2.95Å; V208-L247 WeakPolarHBondContact CA-O 3.49Å; V208-L247 HydrophobicContact CB-CB 4.44Å; V208-L247 HydrophobicContact CG2-CB 4.43Å; V208-L247 HydrophobicContact CG2-CD2 4.11Å; V208-L247 HydrophobicContact CG2-CG 4.45Å; H209-L247 PolarHBondContact N-O 2.9Å; L247-L249 HydrophobicContact CD1-CD2 4.19Å; L247-L249 HydrophobicContact CD2-CD1 4.34Å; L247-L249 HydrophobicContact CD2-CD2 4.09Å; L247-L249 HydrophobicContact CD2-CG 4.36Å; L247-L249 HydrophobicContact CG-CD2 3.86Å; L247-L249 HydrophobicContact CG-CG 4.14Å; L247-A261 HydrophobicContact CD2-CB 4.12Å; L247-I262 HydrophobicContact CD2-CG2 3.85Å; L247-I265 HydrophobicContact CD1-CD1 4.41Å; L247-I265 HydrophobicContact CD2-CD1 3.8Å; L247-H407 HydrophobicContact CD1-CB 3.49Å; L247-H407 VanDerWaalsContact CD1-CB 3.49Å; L247-I411 HydrophobicContact CB-CD1 4.27Å; L247-I411 HydrophobicContact CD1-CD1 4.14Å
248P97.4Very high96.3Very high14 Ų1442.9 Ų42.99%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-71.1133.7170.330-34000109.8H209 A211 F233H209-P248 CarbonylContact O-C 3.6Å; H209-P248 WeakPolarHBondContact O-CA 3.03Å; A211-P248 HydrophobicContact CB-CB 3.78Å; F233-P248 HydrophobicContact CE1-CG 4.15Å; F233-P248 HydrophobicContact CZ-CG 3.73Å
249L96.4Very high96.1Very high10 Ų1040.5 Ų40.55%0.05218%0.184CC..EExtended strand (participates in β ladder)trans-122.2149.6177.3-60.4177.5000111V208 H209 H210 L247 I253 A261 F295 I404V208-L249 HydrophobicContact CG2-CD1 3.62Å; V208-L249 HydrophobicContact CG2-CG 4.19Å; H209-L249 PolarHBondContact O-N 2.92Å; H210-L249 PolarHBondContact ND1-O 3.32Å; L247-L249 HydrophobicContact CD1-CD2 4.19Å; L247-L249 HydrophobicContact CD2-CD1 4.34Å; L247-L249 HydrophobicContact CD2-CD2 4.09Å; L247-L249 HydrophobicContact CD2-CG 4.36Å; L247-L249 HydrophobicContact CG-CD2 3.86Å; L247-L249 HydrophobicContact CG-CG 4.14Å; L249-I253 HydrophobicContact CB-CD1 4.36Å; L249-I253 HydrophobicContact CD1-CD1 3.49Å; L249-I253 VanDerWaalsContact CD1-CD1 3.49Å; L249-I253 HydrophobicContact CD2-CD1 4.39Å; L249-I253 HydrophobicContact CG-CD1 4.3Å; L249-A261 HydrophobicContact CD1-CB 4.28Å; L249-A261 HydrophobicContact CD2-CB 4.43Å; L249-F295 HydrophobicContact CB-CE1 4.28Å; L249-F295 HydrophobicContact CB-CZ 3.81Å; L249-I404 HydrophobicContact CD2-CG1 4.15Å
250E95Very high95.9Very high115 Ų11533.8 Ų33.854%0.53716%0.164SC..  trans-74.1156.1176.5-62.6-164.2-178.200111.6F295 T400E250-F295 WeakPolarHBondContact O-CE1 3.26Å; E250-T400 HydrophobicContact CB-CG2 4.39Å; E250-T400 HydrophobicContact CG-CG2 4.49Å
251E95.3Very high95.7Very high120 Ų12033.8 Ų33.856%0.56116%0.164SC*.THydrogen-bonded Turntrans-57.8153.2175.865.4175.5-167.400111.9I294 N398E251-I294 HydrophobicContact CB-CG2 3.94Å; E251-N398 PolarHBondContact O-ND2 3.02Å
252G93.9Very high95.6Very high11 Ų1127.1 Ų27.111%0.11314%0.139CC..THydrogen-bonded Turntrans85.51.9175.300000115.4N254 I294 R296G252-N254 PolarHBondContact O-N 3.18Å; G252-I294 PolarHBondContact N-O 2.88Å; G252-R296 WeakPolarHBondContact O-CD 3.47Å
253I94Very high95.5Very high3 Ų325 Ų252%0.01513%0.13CC..  trans-61.1134.7176.1-157.6173.1000111.2L249 D257 W258 F295 R296L249-I253 HydrophobicContact CB-CD1 4.36Å; L249-I253 HydrophobicContact CD1-CD1 3.49Å; L249-I253 VanDerWaalsContact CD1-CD1 3.49Å; L249-I253 HydrophobicContact CD2-CD1 4.39Å; L249-I253 HydrophobicContact CG-CD1 4.3Å; I253-D257 HydrophobicContact CD1-CB 4.13Å; I253-D257 HydrophobicContact CG1-CB 3.63Å; I253-W258 HydrophobicContact CD1-CB 3.92Å; I253-W258 HydrophobicContact CG1-CB 4.11Å; I253-W258 HydrophobicContact CG2-CB 4.31Å; I253-F295 HydrophobicContact CG2-CB 4.16Å; I253-F295 HydrophobicContact CG2-CD1 3.54Å; I253-F295 HydrophobicContact CG2-CD2 3.86Å; I253-F295 HydrophobicContact CG2-CE1 3.85Å; I253-F295 HydrophobicContact CG2-CE2 4.17Å; I253-F295 HydrophobicContact CG2-CG 3.58Å; I253-F295 HydrophobicContact CG2-CZ 4.17Å; I253-R296 WeakPolarHBondContact O-CB 3.43Å; I253-R296 PolarHBondContact O-N 3.1Å
254N93.6Very high95.3Very high31 Ų3125.3 Ų25.317%0.16613%0.132CC..BIsolated β-bridgetrans-95.3177.21796732000111.7G252 L256 D257 W258 S396G252-N254 PolarHBondContact O-N 3.18Å; N254-L256 PolarHBondContact O-N 3.22Å; N254-L256 PolarHBondContact OD1-N 2.88Å; N254-L256 VanDerWaalsContact OD1-N 3.15Å; N254-D257 PolarHBondContact ND2-OD2 3.36Å; N254-D257 WeakPolarHBondContact OD1-CB 3.29Å; N254-D257 PolarHBondContact OD1-N 3.48Å; N254-D257 PolarHBondContact OD1-OD2 3.47Å; N254-W258 WeakPolarHBondContact O-CB 3.3Å; N254-W258 PolarHBondContact O-N 3.18Å; N254-S396 WeakPolarHBondContact ND2-CB 3.42Å
255D94Very high95.2Very high2 Ų225.2 Ų25.21%0.01113%0.131CC..Hα-helixtrans-56.9-44.4-179.2-73.4-52.6000114.1S259 L297 T298 L316 S317 G318D255-S259 WeakPolarHBondContact O-CB 3.38Å; D255-S259 PolarHBondContact O-N 3.14Å; D255-S259 PolarHBondContact O-OG 2.8Å; D255-L297 VanDerWaalsContact OD1-CA 3.31Å; D255-L297 WeakPolarHBondContact OD1-CA 3.41Å; D255-T298 PolarHBondContact OD1-N 3.43Å; D255-T298 VanDerWaalsContact OD2-CB 3.28Å; D255-T298 WeakPolarHBondContact OD2-CB 3.49Å; D255-T298 WeakPolarHBondContact OD2-CG2 3.48Å; D255-T298 PolarHBondContact OD2-N 3.04Å; D255-T298 PolarHBondContact OD2-OG1 3.36Å; D255-L316 WeakPolarHBondContact CB-O 3.34Å; D255-S317 WeakPolarHBondContact OD1-CA 3.48Å; D255-G318 PolarHBondContact OD1-N 3.37Å
256L91.8Very high95.2Very high100 Ų10025.2 Ų25.252%0.52413%0.131SC..Hα-helixtrans-70-48.8-175.5179.860.8000111.4N254 W258 S259 N260N254-L256 PolarHBondContact O-N 3.22Å; N254-L256 PolarHBondContact OD1-N 2.88Å; N254-L256 VanDerWaalsContact OD1-N 3.15Å; L256-W258 VanDerWaalsContact C-N 3.33Å; L256-W258 PolarHBondContact O-N 3.3Å; L256-S259 PolarHBondContact O-N 2.95Å; L256-N260 WeakPolarHBondContact O-CB 3.47Å; L256-N260 VanDerWaalsContact O-CG 3.27Å; L256-N260 PolarHBondContact O-N 3Å; L256-N260 PolarHBondContact O-ND2 2.89Å
257D91.5Very high95.1Very high39 Ų3926.5 Ų26.521%0.20914%0.138CC..Hα-helixtrans-62.8-43.3179.9-68.8-22.9000110.6I253 N254 N260 A261 S396I253-D257 HydrophobicContact CD1-CB 4.13Å; I253-D257 HydrophobicContact CG1-CB 3.63Å; N254-D257 PolarHBondContact ND2-OD2 3.36Å; N254-D257 WeakPolarHBondContact OD1-CB 3.29Å; N254-D257 PolarHBondContact OD1-N 3.48Å; N254-D257 PolarHBondContact OD1-OD2 3.47Å; D257-N260 PolarHBondContact O-N 2.68Å; D257-A261 VanDerWaalsContact O-CB 3.28Å; D257-A261 WeakPolarHBondContact O-CB 3.47Å; D257-A261 PolarHBondContact O-N 3.01Å; D257-S396 WeakPolarHBondContact OD2-CB 3.4Å; D257-S396 PolarHBondContact OD2-OG 3.44Å
258W94.4Very high95.1Very high1 Ų126.5 Ų26.50%0.00414%0.138CC..Hα-helixtrans-64.8-43.2176.7-172.4100.9000111.6L185 V208 I253 N254 L256 N260 A261 I262 L297 G318 A322L185-W258 HydrophobicContact CB-CZ2 4.48Å; L185-W258 HydrophobicContact CD1-CH2 4.39Å; L185-W258 HydrophobicContact CD2-CH2 3.86Å; L185-W258 HydrophobicContact CD2-CZ2 4.05Å; V208-W258 HydrophobicContact CG1-CZ2 3.69Å; I253-W258 HydrophobicContact CD1-CB 3.92Å; I253-W258 HydrophobicContact CG1-CB 4.11Å; I253-W258 HydrophobicContact CG2-CB 4.31Å; N254-W258 WeakPolarHBondContact O-CB 3.3Å; N254-W258 PolarHBondContact O-N 3.18Å; L256-W258 VanDerWaalsContact C-N 3.33Å; L256-W258 PolarHBondContact O-N 3.3Å; W258-N260 PolarHBondContact O-N 2.83Å; W258-A261 WeakPolarHBondContact O-CB 3.31Å; W258-A261 PolarHBondContact O-N 3.41Å; W258-A261 VanDerWaalsContact O-N 3.16Å; W258-I262 HydrophobicContact CD2-CD1 4.44Å; W258-I262 HydrophobicContact CE3-CD1 3.85Å; W258-I262 HydrophobicContact CE3-CG1 3.97Å; W258-I262 HydrophobicContact CH2-CD1 3.17Å; W258-I262 HydrophobicContact CH2-CG1 4.16Å; W258-I262 HydrophobicContact CZ2-CD1 3.82Å; W258-I262 HydrophobicContact CZ3-CD1 3.15Å; W258-I262 HydrophobicContact CZ3-CG1 3.77Å; W258-I262 PolarHBondContact O-N 2.93Å; W258-L297 HydrophobicContact CB-CD2 3.71Å; W258-L297 HydrophobicContact CD2-CD1 3.96Å; W258-L297 HydrophobicContact CD2-CD2 4.34Å; W258-L297 HydrophobicContact CE3-CD1 4.39Å; W258-L297 HydrophobicContact CG-CD1 4.16Å; W258-L297 HydrophobicContact CG-CD2 3.86Å; W258-L297 HydrophobicContact CZ2-CD1 4.34Å; W258-G318 VanDerWaalsContact CZ3-C 3.43Å; W258-G318 WeakPolarHBondContact CZ3-O 3.42Å; W258-A322 HydrophobicContact CH2-CB 4.01Å; W258-A322 HydrophobicContact CZ3-CB 3.97Å
259S94.5Very high95.2Very high7 Ų725.8 Ų25.85%0.04913%0.134CC..Hα-helixtrans-61.5-43.1176.8-65.30000112.2D255 L256 A261 G263 G318 Y321D255-S259 WeakPolarHBondContact O-CB 3.38Å; D255-S259 PolarHBondContact O-N 3.14Å; D255-S259 PolarHBondContact O-OG 2.8Å; L256-S259 PolarHBondContact O-N 2.95Å; S259-A261 VanDerWaalsContact C-N 3.33Å; S259-G263 WeakPolarHBondContact O-CA 3.29Å; S259-G263 PolarHBondContact O-N 3.31Å; S259-G318 WeakPolarHBondContact OG-CA 3.09Å; S259-Y321 VanDerWaalsContact CB-CD1 3.48Å; S259-Y321 VanDerWaalsContact O-CE1 3.22Å; S259-Y321 WeakPolarHBondContact O-CE1 3.37Å
260N92.5Very high95.2Very high65 Ų6526.7 Ų26.735%0.34814%0.139SC..Hα-helixtrans-68.8-32.7175.8-70.4-24.8000111.9L256 D257 W258 P264L256-N260 WeakPolarHBondContact O-CB 3.47Å; L256-N260 VanDerWaalsContact O-CG 3.27Å; L256-N260 PolarHBondContact O-N 3Å; L256-N260 PolarHBondContact O-ND2 2.89Å; D257-N260 PolarHBondContact O-N 2.68Å; W258-N260 PolarHBondContact O-N 2.83Å; N260-P264 VanDerWaalsContact O-CD 3.29Å; N260-P264 WeakPolarHBondContact O-CD 3.3Å
261A94Very high95.3Very high1 Ų122.8 Ų22.81%0.00812%0.121CC..Hα-helixtrans-66.2-42.7176.900000112.1L247 L249 D257 W258 S259 I265 I404 H408L247-A261 HydrophobicContact CD2-CB 4.12Å; L249-A261 HydrophobicContact CD1-CB 4.28Å; L249-A261 HydrophobicContact CD2-CB 4.43Å; D257-A261 VanDerWaalsContact O-CB 3.28Å; D257-A261 WeakPolarHBondContact O-CB 3.47Å; D257-A261 PolarHBondContact O-N 3.01Å; W258-A261 WeakPolarHBondContact O-CB 3.31Å; W258-A261 PolarHBondContact O-N 3.41Å; W258-A261 VanDerWaalsContact O-N 3.16Å; S259-A261 VanDerWaalsContact C-N 3.33Å; A261-I265 VanDerWaalsContact O-CD1 3.31Å; A261-I265 WeakPolarHBondContact O-CD1 3.47Å; A261-I404 HydrophobicContact CB-CD1 4.13Å; A261-I404 HydrophobicContact CB-CG2 3.86Å; A261-H408 PolarHBondContact O-NE2 3.2Å
262I96.8Very high95.4Very high0 Ų017.2 Ų17.20%010%0.095CC..Hα-helixtrans-98.5-23.5-17471.4157.4000114.6L185 F206 V208 L247 W258 I265 L266 A322L185-I262 HydrophobicContact CD2-CD1 4.24Å; F206-I262 HydrophobicContact CZ-CB 4.48Å; F206-I262 HydrophobicContact CZ-CG2 4.3Å; V208-I262 HydrophobicContact CB-CG2 3.9Å; V208-I262 HydrophobicContact CG1-CG2 4.02Å; V208-I262 HydrophobicContact CG2-CG2 3.68Å; L247-I262 HydrophobicContact CD2-CG2 3.85Å; W258-I262 HydrophobicContact CD2-CD1 4.44Å; W258-I262 HydrophobicContact CE3-CD1 3.85Å; W258-I262 HydrophobicContact CE3-CG1 3.97Å; W258-I262 HydrophobicContact CH2-CD1 3.17Å; W258-I262 HydrophobicContact CH2-CG1 4.16Å; W258-I262 HydrophobicContact CZ2-CD1 3.82Å; W258-I262 HydrophobicContact CZ3-CD1 3.15Å; W258-I262 HydrophobicContact CZ3-CG1 3.77Å; W258-I262 PolarHBondContact O-N 2.93Å; I262-I265 WeakPolarHBondContact O-CB 3.47Å; I262-I265 PolarHBondContact O-N 3.39Å; I262-I265 VanDerWaalsContact O-N 3.14Å; I262-L266 HydrophobicContact CD1-CD1 3.72Å; I262-L266 HydrophobicContact CD1-CG 4.4Å; I262-L266 HydrophobicContact CG1-CD1 4.25Å; I262-L266 WeakPolarHBondContact O-CG 3.31Å; I262-L266 PolarHBondContact O-N 2.93Å; I262-A322 HydrophobicContact CD1-CB 3.87Å
263G96.2Very high95.6Very high1 Ų116.7 Ų16.71%0.019%0.09CC..Hα-helixtrans-55.5-55.6-17200000113.8S259 I265 L266 D267S259-G263 WeakPolarHBondContact O-CA 3.29Å; S259-G263 PolarHBondContact O-N 3.31Å; G263-I265 VanDerWaalsContact C-N 3.28Å; G263-I265 PolarHBondContact O-N 2.85Å; G263-L266 PolarHBondContact O-N 2.8Å; G263-D267 PolarHBondContact O-N 3.44Å; G263-D267 VanDerWaalsContact O-N 3.13Å
264P95.7Very high95.7Very high7 Ų723.1 Ų23.15%0.04512%0.12CC..Hα-helixtrans-61-35.4176.7-25.836.1000113.2N260 S268 Y435 T438N260-P264 VanDerWaalsContact O-CD 3.29Å; N260-P264 WeakPolarHBondContact O-CD 3.3Å; P264-S268 VanDerWaalsContact O-CB 3.26Å; P264-S268 WeakPolarHBondContact O-CB 3.4Å; P264-S268 PolarHBondContact O-N 2.84Å; P264-S268 PolarHBondContact O-OG 3.45Å; P264-S268 VanDerWaalsContact O-OG 3.09Å; P264-Y435 HydrophobicContact CB-CD1 3.73Å; P264-Y435 HydrophobicContact CB-CD2 4.11Å; P264-Y435 HydrophobicContact CB-CE1 3.56Å; P264-Y435 HydrophobicContact CB-CE2 3.95Å; P264-Y435 HydrophobicContact CB-CG 4.01Å; P264-Y435 HydrophobicContact CG-CD1 4.43Å; P264-T438 HydrophobicContact CG-CG2 4.28Å
265I97.3Very high95.9Very high0 Ų022.1 Ų22.10%012%0.115CC..Hα-helixtrans-63.5-51.5177-63.1166.6000109.8F206 L247 A261 I262 G263 D267 S268 L269 I411 Y435F206-I265 HydrophobicContact CD1-CG2 4.32Å; F206-I265 HydrophobicContact CD2-CG2 4.3Å; F206-I265 HydrophobicContact CE1-CG2 3.95Å; F206-I265 HydrophobicContact CE2-CG2 3.95Å; F206-I265 HydrophobicContact CG-CG2 4.49Å; F206-I265 HydrophobicContact CZ-CB 4.36Å; F206-I265 HydrophobicContact CZ-CD1 4.31Å; F206-I265 HydrophobicContact CZ-CG2 3.76Å; L247-I265 HydrophobicContact CD1-CD1 4.41Å; L247-I265 HydrophobicContact CD2-CD1 3.8Å; A261-I265 VanDerWaalsContact O-CD1 3.31Å; A261-I265 WeakPolarHBondContact O-CD1 3.47Å; I262-I265 WeakPolarHBondContact O-CB 3.47Å; I262-I265 PolarHBondContact O-N 3.39Å; I262-I265 VanDerWaalsContact O-N 3.14Å; G263-I265 VanDerWaalsContact C-N 3.28Å; G263-I265 PolarHBondContact O-N 2.85Å; I265-D267 PolarHBondContact O-N 2.73Å; I265-S268 WeakPolarHBondContact CA-OG 3.47Å; I265-S268 PolarHBondContact O-N 3.38Å; I265-S268 PolarHBondContact O-OG 3.13Å; I265-L269 HydrophobicContact CG2-CD1 3.67Å; I265-L269 HydrophobicContact CG2-CG 4.18Å; I265-L269 WeakPolarHBondContact O-CB 3.4Å; I265-L269 VanDerWaalsContact O-CG 3.27Å; I265-L269 WeakPolarHBondContact O-CG 3.41Å; I265-L269 PolarHBondContact O-N 3.23Å; I265-I411 HydrophobicContact CD1-CD1 3.58Å; I265-I411 HydrophobicContact CD1-CG2 4.5Å; I265-I411 HydrophobicContact CG1-CD1 4.33Å; I265-I411 HydrophobicContact CG1-CG2 4.11Å; I265-I411 HydrophobicContact CG2-CG2 3.98Å; I265-Y435 WeakPolarHBondContact CA-OH 3.4Å; I265-Y435 WeakPolarHBondContact CG1-OH 3.45Å
266L98.2Very high96Very high0 Ų023.6 Ų23.60%013%0.126CC..Hα-helixtrans-56.2-50179-72.5179.8000112V183 F206 I262 G263 S268 L269 N270 A322 K325 I326 W329V183-L266 HydrophobicContact CG1-CD2 3.75Å; V183-L266 HydrophobicContact CG2-CD2 3.88Å; F206-L266 HydrophobicContact CD1-CD2 3.8Å; F206-L266 HydrophobicContact CE1-CD2 3.81Å; F206-L266 HydrophobicContact CE1-CG 4.31Å; I262-L266 HydrophobicContact CD1-CD1 3.72Å; I262-L266 HydrophobicContact CD1-CG 4.4Å; I262-L266 HydrophobicContact CG1-CD1 4.25Å; I262-L266 WeakPolarHBondContact O-CG 3.31Å; I262-L266 PolarHBondContact O-N 2.93Å; G263-L266 PolarHBondContact O-N 2.8Å; L266-S268 PolarHBondContact O-N 3.35Å; L266-L269 PolarHBondContact O-N 2.79Å; L266-N270 PolarHBondContact O-N 3.35Å; L266-A322 HydrophobicContact CD1-CB 4.32Å; L266-K325 HydrophobicContact CB-CD 4.02Å; L266-K325 HydrophobicContact CD1-CD 4.23Å; L266-I326 HydrophobicContact CD1-CD1 4.37Å; L266-I326 HydrophobicContact CD1-CG1 4.37Å; L266-I326 HydrophobicContact CD2-CD1 4.5Å; L266-W329 VanDerWaalsContact C-CZ2 3.49Å; L266-W329 HydrophobicContact CB-CH2 3.89Å; L266-W329 HydrophobicContact CB-CZ2 3.82Å; L266-W329 HydrophobicContact CD2-CH2 4.35Å; L266-W329 WeakPolarHBondContact O-CH2 3.24Å; L266-W329 VanDerWaalsContact O-CZ2 3.25Å; L266-W329 WeakPolarHBondContact O-CZ2 3.48Å
267D97.6Very high96.4Very high29 Ų2919.2 Ų19.216%0.15510%0.102CC..Hα-helixtrans-63.4-41.6180-73.1-33.6000111.6G263 I265 N270 I271 K325 W329 L434G263-D267 PolarHBondContact O-N 3.44Å; G263-D267 VanDerWaalsContact O-N 3.13Å; I265-D267 PolarHBondContact O-N 2.73Å; D267-N270 PolarHBondContact O-N 2.53Å; D267-I271 VanDerWaalsContact O-CG1 3.31Å; D267-I271 WeakPolarHBondContact O-CG1 3.31Å; D267-I271 PolarHBondContact O-N 2.94Å; D267-K325 WeakPolarHBondContact OD1-CD 3.37Å; D267-K325 WeakPolarHBondContact OD1-CG 3.28Å; D267-K325 IonicContact OD1-NZ 3.78Å; D267-K325 IonicContact OD2-NZ 2.68Å; D267-K325 PolarHBondContact OD2-NZ 2.85Å; D267-W329 PolarHBondContact OD1-NE1 3.1Å; D267-W329 VanDerWaalsContact OD1-NE1 3.15Å; D267-L434 HydrophobicContact CB-CD1 3.62Å; D267-L434 HydrophobicContact CB-CD2 4.14Å
268S97.6Very high96.7Very high0 Ų017.3 Ų17.30%09%0.092CC..Hα-helixtrans-63.2-43.5177.169.10000112.5P264 I265 L266 N270 I271 V272P264-S268 VanDerWaalsContact O-CB 3.26Å; P264-S268 WeakPolarHBondContact O-CB 3.4Å; P264-S268 PolarHBondContact O-N 2.84Å; P264-S268 PolarHBondContact O-OG 3.45Å; P264-S268 VanDerWaalsContact O-OG 3.09Å; I265-S268 WeakPolarHBondContact CA-OG 3.47Å; I265-S268 PolarHBondContact O-N 3.38Å; I265-S268 PolarHBondContact O-OG 3.13Å; L266-S268 PolarHBondContact O-N 3.35Å; S268-N270 PolarHBondContact O-N 3.42Å; S268-I271 PolarHBondContact O-N 3.3Å; S268-V272 WeakPolarHBondContact O-CG2 3.42Å; S268-V272 PolarHBondContact O-N 3.12Å
269L98.2Very high96.9Very high0 Ų017.3 Ų17.30%09%0.092CC..Hα-helixtrans-59.3-47.4176.5-73.1169.1000110.4L181 V204 F206 F245 I265 L266 I271 V272 I273 L415L181-L269 HydrophobicContact CD1-CB 4.39Å; L181-L269 HydrophobicContact CD1-CD1 4.31Å; L181-L269 HydrophobicContact CD2-CB 4.04Å; V204-L269 HydrophobicContact CG1-CD2 4.37Å; F206-L269 HydrophobicContact CB-CD1 3.74Å; F206-L269 HydrophobicContact CD1-CD1 3.81Å; F206-L269 HydrophobicContact CG-CD1 3.75Å; F245-L269 HydrophobicContact CD1-CD2 4.37Å; F245-L269 HydrophobicContact CD2-CD2 4.03Å; F245-L269 HydrophobicContact CE1-CD2 4.31Å; F245-L269 HydrophobicContact CE2-CD2 3.99Å; F245-L269 HydrophobicContact CG-CD2 4.23Å; F245-L269 HydrophobicContact CZ-CD2 4.14Å; I265-L269 HydrophobicContact CG2-CD1 3.67Å; I265-L269 HydrophobicContact CG2-CG 4.18Å; I265-L269 WeakPolarHBondContact O-CB 3.4Å; I265-L269 VanDerWaalsContact O-CG 3.27Å; I265-L269 WeakPolarHBondContact O-CG 3.41Å; I265-L269 PolarHBondContact O-N 3.23Å; L266-L269 PolarHBondContact O-N 2.79Å; L269-I271 PolarHBondContact O-N 3.41Å; L269-V272 PolarHBondContact O-N 2.71Å; L269-I273 HydrophobicContact CB-CD1 3.9Å; L269-I273 HydrophobicContact CD2-CD1 3.72Å; L269-I273 HydrophobicContact CG-CD1 4.42Å; L269-I273 WeakPolarHBondContact O-CB 3.22Å; L269-I273 VanDerWaalsContact O-CD1 3.32Å; L269-I273 WeakPolarHBondContact O-CD1 3.36Å; L269-I273 WeakPolarHBondContact O-CG1 3.29Å; L269-I273 PolarHBondContact O-N 2.95Å; L269-L415 HydrophobicContact CD2-CD1 3.96Å
270N98Very high97.1Very high29 Ų2917 Ų1716%0.1559%0.089CC..Hα-helixtrans-61.1-46.3178.2177.754.1000112.6L266 D267 S268 V272 Q274 P275 W329L266-N270 PolarHBondContact O-N 3.35Å; D267-N270 PolarHBondContact O-N 2.53Å; S268-N270 PolarHBondContact O-N 3.42Å; N270-V272 PolarHBondContact O-N 2.86Å; N270-Q274 WeakPolarHBondContact O-CA 3.2Å; N270-Q274 PolarHBondContact O-N 3.19Å; N270-P275 WeakPolarHBondContact OD1-CD 3.39Å; N270-W329 HydrophobicContact CB-CD2 3.64Å; N270-W329 HydrophobicContact CB-CE3 3.79Å; N270-W329 HydrophobicContact CB-CG 4.25Å; N270-W329 HydrophobicContact CB-CH2 3.94Å; N270-W329 HydrophobicContact CB-CZ2 3.8Å; N270-W329 HydrophobicContact CB-CZ3 3.94Å; N270-W329 VanDerWaalsContact CG-CD2 3.42Å
271I97.1Very high97.4Very high32 Ų3213.9 Ų13.916%0.1647%0.073CC..Hα-helixtrans-59.1-47.5179.9-71.9167.6000111.3D267 S268 L269 Q274 Q430 V431 L434D267-I271 VanDerWaalsContact O-CG1 3.31Å; D267-I271 WeakPolarHBondContact O-CG1 3.31Å; D267-I271 PolarHBondContact O-N 2.94Å; S268-I271 PolarHBondContact O-N 3.3Å; L269-I271 PolarHBondContact O-N 3.41Å; I271-Q274 WeakPolarHBondContact O-CG 3.31Å; I271-Q430 HydrophobicContact CD1-CG 4.08Å; I271-V431 HydrophobicContact CB-CG2 4.47Å; I271-V431 HydrophobicContact CG2-CG2 3.91Å; I271-L434 HydrophobicContact CD1-CD1 3.64Å
272V97.2Very high97.7Very high4 Ų413.8 Ų13.82%0.0247%0.073CC..Hα-helixtrans-80.2-42.2-172.6177.60000112.1S268 L269 N270 L415 A419 Y426 V431S268-V272 WeakPolarHBondContact O-CG2 3.42Å; S268-V272 PolarHBondContact O-N 3.12Å; L269-V272 PolarHBondContact O-N 2.71Å; N270-V272 PolarHBondContact O-N 2.86Å; V272-L415 HydrophobicContact CB-CD1 3.92Å; V272-L415 HydrophobicContact CB-CD2 4.13Å; V272-L415 HydrophobicContact CB-CG 4.06Å; V272-L415 HydrophobicContact CG1-CD1 3.83Å; V272-L415 HydrophobicContact CG1-CG 4.06Å; V272-L415 HydrophobicContact CG2-CD1 4.37Å; V272-L415 HydrophobicContact CG2-CD2 3.74Å; V272-L415 HydrophobicContact CG2-CG 3.95Å; V272-A419 HydrophobicContact CG1-CB 3.74Å; V272-Y426 HydrophobicContact CB-CG 4.49Å; V272-Y426 HydrophobicContact CG1-CD1 4.23Å; V272-Y426 HydrophobicContact CG1-CG 4.21Å; V272-Y426 HydrophobicContact CG2-CD1 4.49Å; V272-Y426 HydrophobicContact CG2-CD2 3.66Å; V272-Y426 HydrophobicContact CG2-CE2 4.31Å; V272-Y426 HydrophobicContact CG2-CG 3.75Å; V272-V431 HydrophobicContact CG2-CG2 3.9Å
273I97.1Very high97.8Very high0 Ų013.8 Ų13.80%07%0.073CC..Hα-helixtrans-78.2-35.1-174.8-61.1163.7000110.7R179 L181 V204 L269 P275 Y418R179-I273 HydrophobicContact CB-CG2 4.23Å; R179-I273 PolarHBondContact NE-O 2.96Å; L181-I273 HydrophobicContact CD1-CD1 3.96Å; V204-I273 HydrophobicContact CB-CD1 3.72Å; V204-I273 HydrophobicContact CG1-CD1 3.57Å; V204-I273 HydrophobicContact CG2-CD1 3.81Å; V204-I273 HydrophobicContact CG2-CG1 4.12Å; V204-I273 HydrophobicContact CG2-CG2 4.27Å; L269-I273 HydrophobicContact CB-CD1 3.9Å; L269-I273 HydrophobicContact CD2-CD1 3.72Å; L269-I273 HydrophobicContact CG-CD1 4.42Å; L269-I273 WeakPolarHBondContact O-CB 3.22Å; L269-I273 VanDerWaalsContact O-CD1 3.32Å; L269-I273 WeakPolarHBondContact O-CD1 3.36Å; L269-I273 WeakPolarHBondContact O-CG1 3.29Å; L269-I273 PolarHBondContact O-N 2.95Å; I273-P275 HydrophobicContact CG2-CB 4.45Å; I273-Y418 HydrophobicContact CG1-CE1 4.02Å
274Q96.6Very high97.9Very high138 Ų13813.8 Ų13.865%0.6457%0.072SC*.  trans48.863.7-168.8-58.7-164.4-44.900111.4N270 I271N270-Q274 WeakPolarHBondContact O-CA 3.2Å; N270-Q274 PolarHBondContact O-N 3.19Å; I271-Q274 WeakPolarHBondContact O-CG 3.31Å
275P97.5Very high98Very high9 Ų913.5 Ų13.56%0.0587%0.07CC..  trans-61.2141.6-174.726.1-33.2000111.5L181 N270 I273 Y277 V278 V331L181-P275 HydrophobicContact CB-CB 3.78Å; L181-P275 HydrophobicContact CB-CG 4.08Å; L181-P275 HydrophobicContact CD2-CG 4.45Å; N270-P275 WeakPolarHBondContact OD1-CD 3.39Å; I273-P275 HydrophobicContact CG2-CB 4.45Å; P275-Y277 WeakPolarHBondContact CB-O 3.45Å; P275-V278 HydrophobicContact CB-CG2 4.32Å; P275-V278 HydrophobicContact CG-CG2 4.01Å; P275-V331 HydrophobicContact CG-CG1 4.48Å; P275-V331 HydrophobicContact CG-CG2 4.48Å; P275-V331 WeakPolarHBondContact O-CG1 3.3Å
276S97Very high98.1Very high34 Ų3413.5 Ų13.524%0.2387%0.07CC..SBendtrans-82.1-26.3171.2-52.20000112R179R179-S276 PolarHBondContact N-OG 3.35Å; R179-S276 WeakPolarHBondContact O-CB 3.39Å; R179-S276 PolarHBondContact O-N 2.75Å
277Y98.7Very high98.1Very high7 Ų713.7 Ų13.73%0.0277%0.071CC..EExtended strand (participates in β ladder)trans-143.1146.9173.3-58.2-83.9000109.3L125 L164 T178 R179 V180 L181 P275 P332L125-Y277 HydrophobicContact CB-CD1 4.35Å; L125-Y277 HydrophobicContact CB-CE1 4.15Å; L164-Y277 HydrophobicContact CB-CD2 4Å; L164-Y277 HydrophobicContact CB-CE2 4.43Å; L164-Y277 HydrophobicContact CB-CG 4.27Å; L164-Y277 HydrophobicContact CD1-CG 4.22Å; L164-Y277 HydrophobicContact CD2-CD1 3.74Å; L164-Y277 HydrophobicContact CD2-CD2 4.21Å; L164-Y277 HydrophobicContact CD2-CE1 3.92Å; L164-Y277 HydrophobicContact CD2-CE2 4.33Å; L164-Y277 HydrophobicContact CD2-CG 3.92Å; L164-Y277 HydrophobicContact CG-CG 4.36Å; T178-Y277 HydrophobicContact CG2-CD2 4.05Å; T178-Y277 HydrophobicContact CG2-CE2 3.98Å; R179-Y277 PolarHBondContact O-N 3.28Å; V180-Y277 WeakPolarHBondContact CA-O 3.43Å; V180-Y277 HydrophobicContact CG2-CD2 4.5Å; L181-Y277 PolarHBondContact N-O 3.42Å; P275-Y277 WeakPolarHBondContact CB-O 3.45Å; Y277-P332 VanDerWaalsContact CA-O 3.31Å; Y277-P332 WeakPolarHBondContact CA-O 3.48Å; Y277-P332 HydrophobicContact CD1-CB 3.79Å; Y277-P332 HydrophobicContact CD1-CG 4.33Å; Y277-P332 HydrophobicContact CE1-CB 4.05Å; Y277-P332 HydrophobicContact CE1-CG 4.34Å
278V98.9Very high98.2Very high0 Ų012.5 Ų12.50%07%0.066CC..EExtended strand (participates in β ladder)trans-111.1137.3166-175.90000108.7L181 V183 P275 V280 I326 W329 V331 P332 T333 L334L181-V278 HydrophobicContact CB-CG2 4.48Å; L181-V278 CarbonylContact O-C 3.57Å; L181-V278 VanDerWaalsContact O-CA 3.29Å; L181-V278 WeakPolarHBondContact O-CA 3.34Å; V183-V278 HydrophobicContact CG2-CG1 4.35Å; P275-V278 HydrophobicContact CB-CG2 4.32Å; P275-V278 HydrophobicContact CG-CG2 4.01Å; V278-V280 HydrophobicContact CG1-CG2 3.8Å; V278-I326 HydrophobicContact CB-CG2 4.31Å; V278-I326 HydrophobicContact CG1-CG2 3.84Å; V278-W329 HydrophobicContact CG2-CE3 4.16Å; V278-W329 HydrophobicContact CG2-CZ3 4.2Å; V278-V331 HydrophobicContact CG2-CB 4.15Å; V278-V331 HydrophobicContact CG2-CG1 3.91Å; V278-P332 PolarHBondContact N-O 3.47Å; V278-T333 HydrophobicContact CB-CG2 4.25Å; V278-T333 HydrophobicContact CG1-CG2 4.5Å; V278-T333 CarbonylContact O-C 3.56Å; V278-T333 VanDerWaalsContact O-CA 3.27Å; V278-T333 WeakPolarHBondContact O-CA 3.26Å; V278-L334 PolarHBondContact O-N 3.06Å
279V99Very high98.2Very high0 Ų012.9 Ų12.90%07%0.068CC..EExtended strand (participates in β ladder)trans-119.1122.7170.1-178.60000107.4I157 I161 L164 V180 L181 Y182 V183 L334 L336I157-V279 HydrophobicContact CG2-CG1 4.14Å; I161-V279 HydrophobicContact CD1-CB 4.32Å; I161-V279 HydrophobicContact CD1-CG1 4.48Å; I161-V279 HydrophobicContact CD1-CG2 4.43Å; I161-V279 HydrophobicContact CG1-CB 4.17Å; I161-V279 HydrophobicContact CG1-CG1 4.37Å; I161-V279 HydrophobicContact CG1-CG2 3.76Å; L164-V279 HydrophobicContact CD1-CG2 3.58Å; V180-V279 HydrophobicContact CG1-CG2 3.99Å; L181-V279 PolarHBondContact O-N 3.15Å; Y182-V279 CarbonylContact C-O 3.57Å; Y182-V279 WeakPolarHBondContact CA-O 3.39Å; Y182-V279 HydrophobicContact CD2-CB 4.13Å; Y182-V279 HydrophobicContact CD2-CG1 4.09Å; Y182-V279 WeakPolarHBondContact CD2-O 3.43Å; Y182-V279 HydrophobicContact CE2-CG1 4.42Å; V183-V279 PolarHBondContact N-O 2.84Å; V279-L334 CarbonylContact C-O 3.55Å; V279-L334 WeakPolarHBondContact CA-O 3.5Å; V279-L334 HydrophobicContact CB-CB 4.48Å; V279-L334 HydrophobicContact CG1-CB 4.26Å; V279-L334 HydrophobicContact CG1-CD2 4.11Å; V279-L334 HydrophobicContact CG1-CG 4.24Å; V279-L334 HydrophobicContact CG2-CB 4.12Å; V279-L334 HydrophobicContact CG2-CD2 4.39Å; V279-L336 HydrophobicContact CG1-CD1 3.92Å
280V99Very high98.2Very high0 Ų013 Ų130%07%0.069CC..EExtended strand (participates in β ladder)trans-114.5118.6-177.6-169.60000108.9V183 L185 V278 I323 I326 T333 L334 L336V183-V280 CarbonylContact O-C 3.57Å; V183-V280 VanDerWaalsContact O-CA 3.26Å; V183-V280 WeakPolarHBondContact O-CA 3.34Å; L185-V280 HydrophobicContact CD1-CG1 3.88Å; L185-V280 HydrophobicContact CG-CG1 4.16Å; V278-V280 HydrophobicContact CG1-CG2 3.8Å; V280-I323 HydrophobicContact CB-CD1 4.46Å; V280-I323 HydrophobicContact CG1-CD1 3.83Å; V280-I326 HydrophobicContact CG1-CD1 4.37Å; V280-I326 HydrophobicContact CG2-CD1 3.82Å; V280-I326 HydrophobicContact CG2-CG2 4.12Å; V280-T333 HydrophobicContact CG2-CG2 4.01Å; V280-L334 PolarHBondContact N-O 3.45Å; V280-L336 PolarHBondContact O-N 2.94Å
281Q98.9Very high98.3Very high0 Ų015.8 Ų15.80%09%0.088CC..EExtended strand (participates in β ladder)trans-84.9129.9163.2-164.6-79.116.100106.8G139 I157 Y182 V183 D184 L185 D186 G338G139-Q281 PolarHBondContact O-NE2 2.85Å; I157-Q281 HydrophobicContact CD1-CB 4.46Å; I157-Q281 HydrophobicContact CD1-CG 4.02Å; Y182-Q281 HydrophobicContact CE2-CB 3.97Å; Y182-Q281 VanDerWaalsContact OH-CB 3.31Å; Y182-Q281 WeakPolarHBondContact OH-CB 3.26Å; V183-Q281 PolarHBondContact O-N 3.12Å; D184-Q281 PolarHBondContact OD1-OE1 3.22Å; L185-Q281 WeakPolarHBondContact CB-O 3.41Å; L185-Q281 PolarHBondContact N-O 3.18Å; D186-Q281 PolarHBondContact OD2-NE2 2.89Å; Q281-G338 VanDerWaalsContact NE2-CA 3.28Å
282C98.9Very high98.3Very high0 Ų017.4 Ų17.40%010%0.095CC..  trans-12849.6-173.3-1650000111.2W136 A284 I335 L336 G337 W350W136-C282 HydrophobicContact CZ3-CB 4.24Å; C282-A284 PolarHBondContact O-N 2.82Å; C282-I335 HydrophobicContact CB-CG2 4.41Å; C282-L336 VanDerWaalsContact CB-O 3.28Å; C282-L336 WeakPolarHBondContact CB-O 3.27Å; C282-L336 PolarHBondContact N-O 3.36Å; C282-L336 VanDerWaalsContact N-O 3.09Å; C282-G337 CarbonylContact C-O 3.45Å; C282-G337 PolarHBondContact N-O 3.36Å; C282-G337 VanDerWaalsContact N-O 3.12Å; C282-W350 PolarHBondContact O-NE1 3.34Å
283G98.8Very high98.4Very high0 Ų024.7 Ų24.70%012%0.122CC..  trans-52.1133.7172.600000111.1D186 Y319 G337 G339D186-G283 WeakPolarHBondContact OD2-CA 3.41Å; G283-Y319 WeakPolarHBondContact O-CE1 3.25Å; G283-Y319 PolarHBondContact O-OH 3.04Å; G283-G337 PolarHBondContact N-O 3.27Å; G283-G339 CarbonylContact C-O 3.57Å; G283-G339 WeakPolarHBondContact CA-O 3.49Å
284A98.9Very high98.4Very high0 Ų025.9 Ų25.90%013%0.128CC..SBendtrans-94.711.5-170.600000113.7C282 C286 L287 G339 T346 L349 W350C282-A284 PolarHBondContact O-N 2.82Å; A284-C286 VanDerWaalsContact C-N 3.33Å; A284-L287 HydrophobicContact CB-CD1 4.25Å; A284-L287 WeakPolarHBondContact O-CB 3.29Å; A284-L287 WeakPolarHBondContact O-CD1 3.31Å; A284-L287 VanDerWaalsContact O-CG 3.26Å; A284-L287 WeakPolarHBondContact O-CG 3.3Å; A284-L287 PolarHBondContact O-N 3.36Å; A284-G339 PolarHBondContact N-O 3.44Å; A284-T346 HydrophobicContact CB-CG2 3.78Å; A284-L349 HydrophobicContact CB-CD2 3.78Å; A284-W350 HydrophobicContact CB-CZ2 4.4Å
285D98.8Very high98.4Very high1 Ų119.4 Ų19.41%0.00510%0.098CC..THydrogen-bonded Turntrans-83.7-1.5-177.247.66000114.7L187 H188 L287 D290 G339 Y341L187-D285 HydrophobicContact CB-CB 4.09Å; L187-D285 VanDerWaalsContact CB-CG 3.47Å; L187-D285 VanDerWaalsContact CB-OD1 3.29Å; L187-D285 WeakPolarHBondContact CB-OD1 3.3Å; L187-D285 HydrophobicContact CD2-CB 4.49Å; L187-D285 PolarHBondContact N-OD1 2.96Å; H188-D285 IonicContact CE1-OD2 2.81Å; H188-D285 PolarHBondContact CE1-OD2 2.83Å; H188-D285 IonicContact ND1-OD2 3.91Å; H188-D285 PolarHBondContact ND1-OD2 3.42Å; H188-D285 VanDerWaalsContact ND1-OD2 3.17Å; D285-L287 VanDerWaalsContact C-N 3.26Å; D285-D290 HydrophobicContact CB-CB 4.44Å; D285-G339 WeakPolarHBondContact OD2-CA 3.28Å; D285-Y341 HydrophobicContact CB-CD2 4.29Å; D285-Y341 HydrophobicContact CB-CE2 4.29Å
286C98.7Very high98.3Very high1 Ų122.5 Ų22.51%0.00711%0.108CC..THydrogen-bonded Turntrans-79.9-7.5164.4-550000113.3L187 A284 F295 L297 Y319L187-C286 WeakPolarHBondContact CA-SG 3.49Å; L187-C286 PolarHBondContact N-SG 3.35Å; L187-C286 VanDerWaalsContact N-SG 3.42Å; A284-C286 VanDerWaalsContact C-N 3.33Å; C286-F295 HydrophobicContact CB-CB 3.9Å; C286-F295 HydrophobicContact CB-CD2 3.78Å; C286-F295 HydrophobicContact CB-CG 4.33Å; C286-F295 CarbonylContact O-C 3.58Å; C286-F295 WeakPolarHBondContact O-CB 3.12Å; C286-F295 VanDerWaalsContact SG-CD2 3.56Å; C286-L297 HydrophobicContact CB-CB 4.37Å; C286-L297 HydrophobicContact CB-CD1 3.63Å; C286-L297 HydrophobicContact CB-CG 3.88Å; C286-L297 WeakPolarHBondContact O-CB 3.17Å; C286-L297 PolarHBondContact O-N 2.77Å; C286-L297 VanDerWaalsContact O-N 3.08Å; C286-Y319 HydrophobicContact CB-CE2 4.05Å; C286-Y319 WeakPolarHBondContact CB-OH 3.34Å; C286-Y319 PolarHBondContact N-OH 3.08Å; C286-Y319 VanDerWaalsContact N-OH 3.1Å
287L98.6Very high98.4Very high3 Ų320.9 Ų20.92%0.01610%0.097CC..BIsolated β-bridgetrans-60.5139177.2-71175.6000110.4A284 D285 T289 D290 L297 Y319 D345 L349 I389A284-L287 HydrophobicContact CB-CD1 4.25Å; A284-L287 WeakPolarHBondContact O-CB 3.29Å; A284-L287 WeakPolarHBondContact O-CD1 3.31Å; A284-L287 VanDerWaalsContact O-CG 3.26Å; A284-L287 WeakPolarHBondContact O-CG 3.3Å; A284-L287 PolarHBondContact O-N 3.36Å; D285-L287 VanDerWaalsContact C-N 3.26Å; L287-T289 PolarHBondContact O-N 3.06Å; L287-D290 WeakPolarHBondContact O-CB 3.45Å; L287-D290 PolarHBondContact O-N 2.93Å; L287-L297 CarbonylContact C-O 3.55Å; L287-L297 WeakPolarHBondContact CA-O 3.42Å; L287-Y319 HydrophobicContact CD2-CD2 4.4Å; L287-Y319 HydrophobicContact CD2-CE2 4.13Å; L287-Y319 HydrophobicContact CG-CE2 4.31Å; L287-D345 HydrophobicContact CD1-CB 4.11Å; L287-L349 HydrophobicContact CD1-CB 4.05Å; L287-L349 HydrophobicContact CD1-CD2 4.11Å; L287-L349 HydrophobicContact CD2-CD2 4.16Å; L287-L349 HydrophobicContact CG-CD2 4.17Å; L287-I389 HydrophobicContact CD2-CD1 4.37Å
288A98Very high98.3Very high5 Ų520.5 Ų20.54%0.04110%0.096CC..THydrogen-bonded Turntrans-55.4-23.8178.400000113.5R293 F295 R296 L297 Y391A288-R293 VanDerWaalsContact O-CD 3.23Å; A288-R293 WeakPolarHBondContact O-CD 3.35Å; A288-R293 PolarHBondContact O-NH1 3.45Å; A288-F295 WeakPolarHBondContact CA-O 3.46Å; A288-R296 HydrophobicContact CB-CB 4.3Å; A288-L297 PolarHBondContact N-O 3.31Å; A288-Y391 HydrophobicContact CB-CD1 3.57Å; A288-Y391 HydrophobicContact CB-CD2 3.6Å; A288-Y391 HydrophobicContact CB-CE1 3.61Å; A288-Y391 HydrophobicContact CB-CE2 3.68Å; A288-Y391 HydrophobicContact CB-CG 3.56Å
289T98.6Very high98.3Very high8 Ų820.5 Ų20.55%0.04910%0.096CC..THydrogen-bonded Turntrans-98.3-0.6-178.556.10000114.4L287 N342 D345 I389L287-T289 PolarHBondContact O-N 3.06Å; T289-N342 PolarHBondContact O-ND2 2.98Å; T289-D345 WeakPolarHBondContact CB-OD2 3.38Å; T289-D345 PolarHBondContact OG1-OD2 3.27Å; T289-I389 HydrophobicContact CG2-CB 4.25Å; T289-I389 HydrophobicContact CG2-CD1 4.14Å
290D98.8Very high98.2Very high2 Ų221.8 Ų21.81%0.01110%0.101CC..SBendtrans-64.9144.6171.3-168.5-88.1000110.4D285 L287 H292 R293 Y341D285-D290 HydrophobicContact CB-CB 4.44Å; L287-D290 WeakPolarHBondContact O-CB 3.45Å; L287-D290 PolarHBondContact O-N 2.93Å; D290-H292 PolarHBondContact O-N 3.27Å; D290-H292 VanDerWaalsContact O-N 3.08Å; D290-H292 WeakPolarHBondContact OD1-CB 3.42Å; D290-H292 IonicContact OD1-CE1 3.75Å; D290-H292 IonicContact OD1-CG 3.96Å; D290-H292 PolarHBondContact OD1-N 2.92Å; D290-H292 IonicContact OD1-ND1 3.76Å; D290-H292 PolarHBondContact OD1-ND1 3.35Å; D290-R293 WeakPolarHBondContact O-CD 3.42Å; D290-R293 WeakPolarHBondContact O-CG 3.27Å; D290-R293 PolarHBondContact O-N 2.92Å; D290-R293 PolarHBondContact O-NE 3.08Å; D290-Y341 PolarHBondContact OD2-N 2.56Å
291P98.6Very high98Very high87 Ų8725.8 Ų25.857%0.56512%0.117SC*.THydrogen-bonded Turntrans-55.2-22.8176.3-2836.8000115.1R293P291-R293 VanDerWaalsContact C-N 3.34Å
292H98.2Very high97.5Very high67 Ų6728 Ų2831%0.3113%0.132SC..THydrogen-bonded Turntrans-64.8-35174.5-73.190.2000113.1L187 H188 D290 I294 Y341L187-H292 HydrophobicContact CD2-CB 3.63Å; H188-H292 AromaticContact CE1-NE2 3.93Å; H188-H292 AromaticContact NE2-NE2 3.76Å; D290-H292 PolarHBondContact O-N 3.27Å; D290-H292 VanDerWaalsContact O-N 3.08Å; D290-H292 WeakPolarHBondContact OD1-CB 3.42Å; D290-H292 IonicContact OD1-CE1 3.75Å; D290-H292 IonicContact OD1-CG 3.96Å; D290-H292 PolarHBondContact OD1-N 2.92Å; D290-H292 IonicContact OD1-ND1 3.76Å; D290-H292 PolarHBondContact OD1-ND1 3.35Å; H292-I294 HydrophobicContact CB-CG1 4.05Å; H292-I294 PolarHBondContact O-N 3.47Å; H292-Y341 AromaticContact CE1-CD2 3.43Å; H292-Y341 VanDerWaalsContact CE1-CD2 3.43Å; H292-Y341 WeakPolarHBondContact CE1-CD2 3.26Å; H292-Y341 AromaticContact CE1-CE2 3.34Å; H292-Y341 WeakPolarHBondContact CE1-CE2 3.47Å; H292-Y341 AromaticContact ND1-CD2 3.67Å; H292-Y341 AromaticContact ND1-CE2 3.93Å
293R97.9Very high96.2Very high156 Ų15632.8 Ų32.859%0.58916%0.157SC*.  trans52.333.6-179.1-57.3-64.2179.3157.61.8114.5A288 D290 P291A288-R293 VanDerWaalsContact O-CD 3.23Å; A288-R293 WeakPolarHBondContact O-CD 3.35Å; A288-R293 PolarHBondContact O-NH1 3.45Å; D290-R293 WeakPolarHBondContact O-CD 3.42Å; D290-R293 WeakPolarHBondContact O-CG 3.27Å; D290-R293 PolarHBondContact O-N 2.92Å; D290-R293 PolarHBondContact O-NE 3.08Å; P291-R293 VanDerWaalsContact C-N 3.34Å
294I97.3Very high94.2Very high26 Ų2640.3 Ų40.313%0.13320%0.196CC..  trans-89.5-64.5-179.2-59.8-63.6000110.8L187 H210 F215 E251 G252 H292L187-I294 HydrophobicContact CD1-CB 3.85Å; L187-I294 HydrophobicContact CD1-CG2 3.82Å; L187-I294 HydrophobicContact CD2-CB 3.98Å; L187-I294 HydrophobicContact CD2-CG1 4.01Å; H210-I294 HydrophobicContact CB-CG2 3.72Å; H210-I294 VanDerWaalsContact CG-CG2 3.47Å; F215-I294 HydrophobicContact CE2-CD1 4.49Å; F215-I294 HydrophobicContact CE2-CG1 4.18Å; E251-I294 HydrophobicContact CB-CG2 3.94Å; G252-I294 PolarHBondContact N-O 2.88Å; H292-I294 HydrophobicContact CB-CG1 4.05Å; H292-I294 PolarHBondContact O-N 3.47Å
295F96.9Very high91.6Very high1 Ų146.5 Ų46.50%0.00423%0.229CC..  trans-90.1167174.5-69.7-4.3000111.4L187 H210 L249 E250 I253 C286 A288 L297L187-F295 HydrophobicContact CD1-CB 4.36Å; L187-F295 HydrophobicContact CD1-CD1 4.12Å; L187-F295 HydrophobicContact CD1-CD2 3.86Å; L187-F295 HydrophobicContact CD1-CE1 4.34Å; L187-F295 HydrophobicContact CD1-CE2 4.09Å; L187-F295 HydrophobicContact CD1-CG 3.85Å; L187-F295 HydrophobicContact CD1-CZ 4.31Å; H210-F295 HydrophobicContact CB-CE1 3.84Å; H210-F295 HydrophobicContact CB-CZ 3.87Å; L249-F295 HydrophobicContact CB-CE1 4.28Å; L249-F295 HydrophobicContact CB-CZ 3.81Å; E250-F295 WeakPolarHBondContact O-CE1 3.26Å; I253-F295 HydrophobicContact CG2-CB 4.16Å; I253-F295 HydrophobicContact CG2-CD1 3.54Å; I253-F295 HydrophobicContact CG2-CD2 3.86Å; I253-F295 HydrophobicContact CG2-CE1 3.85Å; I253-F295 HydrophobicContact CG2-CE2 4.17Å; I253-F295 HydrophobicContact CG2-CG 3.58Å; I253-F295 HydrophobicContact CG2-CZ 4.17Å; C286-F295 HydrophobicContact CB-CB 3.9Å; C286-F295 HydrophobicContact CB-CD2 3.78Å; C286-F295 HydrophobicContact CB-CG 4.33Å; C286-F295 CarbonylContact O-C 3.58Å; C286-F295 WeakPolarHBondContact O-CB 3.12Å; C286-F295 VanDerWaalsContact SG-CD2 3.56Å; A288-F295 WeakPolarHBondContact CA-O 3.46Å; F295-L297 HydrophobicContact CB-CG 4.48Å
296R96.7Very high88.9Confident74 Ų7452.2 Ų52.228%0.27926%0.259SS..BIsolated β-bridgetrans-123.436.9-176-61.2175.4178.1-172.6-4.4111.6G252 I253 A288 Y391 H394G252-R296 WeakPolarHBondContact O-CD 3.47Å; I253-R296 WeakPolarHBondContact O-CB 3.43Å; I253-R296 PolarHBondContact O-N 3.1Å; A288-R296 HydrophobicContact CB-CB 4.3Å; R296-Y391 HydrophobicContact CB-CE1 4.44Å; R296-Y391 WeakPolarHBondContact CD-OH 3.43Å; R296-H394 PolarHBondContact NH1-CD2 3.28Å; R296-H394 VanDerWaalsContact NH1-CD2 3.32Å; R296-H394 PolarHBondContact NH1-NE2 3.31Å
297L97.4Very high85.9Confident0 Ų060.8 Ų60.80%031%0.305CS..BIsolated β-bridgetrans-72.4155.6176.7-54.5-166.4000110.2D255 W258 C286 L287 A288 F295 Y319D255-L297 VanDerWaalsContact OD1-CA 3.31Å; D255-L297 WeakPolarHBondContact OD1-CA 3.41Å; W258-L297 HydrophobicContact CB-CD2 3.71Å; W258-L297 HydrophobicContact CD2-CD1 3.96Å; W258-L297 HydrophobicContact CD2-CD2 4.34Å; W258-L297 HydrophobicContact CE3-CD1 4.39Å; W258-L297 HydrophobicContact CG-CD1 4.16Å; W258-L297 HydrophobicContact CG-CD2 3.86Å; W258-L297 HydrophobicContact CZ2-CD1 4.34Å; C286-L297 HydrophobicContact CB-CB 4.37Å; C286-L297 HydrophobicContact CB-CD1 3.63Å; C286-L297 HydrophobicContact CB-CG 3.88Å; C286-L297 WeakPolarHBondContact O-CB 3.17Å; C286-L297 PolarHBondContact O-N 2.77Å; C286-L297 VanDerWaalsContact O-N 3.08Å; L287-L297 CarbonylContact C-O 3.55Å; L287-L297 WeakPolarHBondContact CA-O 3.42Å; A288-L297 PolarHBondContact N-O 3.31Å; F295-L297 HydrophobicContact CB-CG 4.48Å; L297-Y319 HydrophobicContact CB-CD2 4.2Å; L297-Y319 HydrophobicContact CB-CE2 3.96Å; L297-Y319 HydrophobicContact CD1-CD2 3.99Å; L297-Y319 HydrophobicContact CD1-CE2 3.73Å; L297-Y319 HydrophobicContact CG-CE2 4.44Å
298T97.8Very high83Confident0 Ų063.9 Ų63.90%033%0.327CS..  trans-117.1-179.8176.870.30000111D255 F300 S317 I389 Y391 P393D255-T298 PolarHBondContact OD1-N 3.43Å; D255-T298 VanDerWaalsContact OD2-CB 3.28Å; D255-T298 WeakPolarHBondContact OD2-CB 3.49Å; D255-T298 WeakPolarHBondContact OD2-CG2 3.48Å; D255-T298 PolarHBondContact OD2-N 3.04Å; D255-T298 PolarHBondContact OD2-OG1 3.36Å; T298-F300 HydrophobicContact CG2-CD1 4.49Å; T298-F300 HydrophobicContact CG2-CD2 3.88Å; T298-F300 HydrophobicContact CG2-CE1 4.45Å; T298-F300 HydrophobicContact CG2-CE2 3.88Å; T298-F300 HydrophobicContact CG2-CG 4.21Å; T298-F300 HydrophobicContact CG2-CZ 4.17Å; T298-F300 WeakPolarHBondContact OG1-CB 3.45Å; T298-F300 WeakPolarHBondContact OG1-CG 3.47Å; T298-F300 PolarHBondContact OG1-N 2.99Å; T298-F300 VanDerWaalsContact OG1-N 3.13Å; T298-S317 WeakPolarHBondContact O-CB 3.47Å; T298-S317 PolarHBondContact O-OG 3.12Å; T298-I389 HydrophobicContact CG2-CD1 4.23Å; T298-Y391 HydrophobicContact CG2-CD1 3.94Å; T298-Y391 HydrophobicContact CG2-CE1 4.45Å; T298-P393 HydrophobicContact CG2-CG 4.22Å
299N98.1Very high80.3Confident0 Ų071.5 Ų71.50%037%0.367CS..  trans-102.57.9162.475.1-32.7000112.6L349 R352 L387 I389N299-L349 HydrophobicContact CB-CB 4.15Å; N299-L349 HydrophobicContact CB-CD1 3.92Å; N299-R352 VanDerWaalsContact C-NH1 3.29Å; N299-R352 WeakPolarHBondContact O-CD 3.46Å; N299-R352 PolarHBondContact O-NH1 3.07Å; N299-L387 PolarHBondContact ND2-O 2.87Å; N299-I389 PolarHBondContact OD1-N 3.39Å
300F96.8Very high77.5Confident27 Ų2775 Ų7512%0.11839%0.391CS..  trans-58135.5-170.3-63.5-9.3000113T298 S315 S317 R352 D388 I389 Y391 P393T298-F300 HydrophobicContact CG2-CD1 4.49Å; T298-F300 HydrophobicContact CG2-CD2 3.88Å; T298-F300 HydrophobicContact CG2-CE1 4.45Å; T298-F300 HydrophobicContact CG2-CE2 3.88Å; T298-F300 HydrophobicContact CG2-CG 4.21Å; T298-F300 HydrophobicContact CG2-CZ 4.17Å; T298-F300 WeakPolarHBondContact OG1-CB 3.45Å; T298-F300 WeakPolarHBondContact OG1-CG 3.47Å; T298-F300 PolarHBondContact OG1-N 2.99Å; T298-F300 VanDerWaalsContact OG1-N 3.13Å; F300-S315 WeakPolarHBondContact CB-O 3.43Å; F300-S317 VanDerWaalsContact O-CB 3.29Å; F300-S317 WeakPolarHBondContact O-CB 3.5Å; F300-S317 PolarHBondContact O-N 2.86Å; F300-R352 VanDerWaalsContact CA-NH1 3.27Å; F300-D388 HydrophobicContact CD1-CB 4.08Å; F300-D388 VanDerWaalsContact CD1-OD1 3.3Å; F300-D388 WeakPolarHBondContact CD1-OD1 3.48Å; F300-D388 HydrophobicContact CE1-CB 3.76Å; F300-I389 HydrophobicContact CE1-CG1 3.93Å; F300-Y391 WeakPolarHBondContact CZ-O 3.35Å; F300-P393 HydrophobicContact CD2-CG 4.32Å; F300-P393 HydrophobicContact CE2-CG 3.65Å
301Y94.9Very high74.7Confident84 Ų8480.8 Ų80.833%0.32942%0.422SS..  trans-132.183.2177.3-166.7-140.7000110.3N303 L316 L320 L356 E359Y301-N303 PolarHBondContact O-N 3.45Å; Y301-L316 HydrophobicContact CD2-CD1 3.52Å; Y301-L316 HydrophobicContact CE2-CD1 3.99Å; Y301-L320 HydrophobicContact CD2-CD1 3.94Å; Y301-L320 HydrophobicContact CG-CD1 3.91Å; Y301-L356 HydrophobicContact CE2-CD1 4.25Å; Y301-E359 PolarHBondContact OH-OE2 3.1Å
302P88.5Confident72.2Confident47 Ų4782.8 Ų82.831%0.30544%0.438SS..  trans-61.6134.1-174.722.7-31.6000111.3L304 L316P302-L304 PolarHBondContact O-N 2.9Å; P302-L304 VanDerWaalsContact O-N 3.14Å; P302-L316 HydrophobicContact CG-CB 4.47Å
303N71.3Confident69.9Low99 Ų9984.4 Ų84.453%0.52945%0.445SS..  trans-78.298.7179-146.8-14.3000108.2Y301 N305 L306Y301-N303 PolarHBondContact O-N 3.45Å; N303-N305 PolarHBondContact O-N 3.44Å; N303-L306 HydrophobicContact CB-CD1 4.36Å; N303-L306 PolarHBondContact O-N 3.26Å
304L57.4Low68.2Low159 Ų15980.5 Ų80.583%0.83244%0.442SS*.THydrogen-bonded Turntrans-57.4-4.7-175.8-69.4169.9000115.4P302P302-L304 PolarHBondContact O-N 2.9Å; P302-L304 VanDerWaalsContact O-N 3.14Å
305N44.4Very low67.4Low129 Ų12980.8 Ų80.869%0.6945%0.446SS*.THydrogen-bonded Turntrans-103.86.9-176.8-76.80.8000114.5N303N303-N305 PolarHBondContact O-N 3.44Å
306L41.7Very low67.3Low121 Ų12183.4 Ų83.463%0.63446%0.459SS*.  trans-94.8104.6171.1-72.1167.3000108.5N303 S308N303-L306 HydrophobicContact CB-CD1 4.36Å; N303-L306 PolarHBondContact O-N 3.26Å; L306-S308 PolarHBondContact O-N 3.49Å
307D37.1Very low67.3Low182 Ų18279.9 Ų79.997%0.97345%0.446SS*.  trans-64.941.8168.2-75.1-37.7000112.1
308S37.6Very low67.3Low67 Ų6779.9 Ų79.947%0.46945%0.446SS..SBendtrans-103.3134174.753.70000108.5L306 C310L306-S308 PolarHBondContact O-N 3.49Å; S308-C310 PolarHBondContact O-N 3.13Å
309D40.2Very low67.4Low165 Ų16579.9 Ų79.988%0.88245%0.446SS*.  trans-53.649.4164.5-61.9-58.3000112.6D311D309-D311 PolarHBondContact O-N 2.75Å
310C39.8Very low67.4Low82 Ų8279.9 Ų79.955%0.55445%0.446SS*.  trans-72.1117.6169.962.50000106.6S308S308-C310 PolarHBondContact O-N 3.13Å
311D41Very low67.4Low123 Ų12381.4 Ų81.466%0.65845%0.451SS*.  trans-43.1153.1176.8-69.4-57.1000110.9D309 E313D309-D311 PolarHBondContact O-N 2.75Å; D311-E313 HydrophobicContact CB-CG 4.46Å; D311-E313 PolarHBondContact O-N 2.92Å
312S46.1Very low67.6Low129 Ų12977.4 Ų77.490%0.90244%0.436SS*.THydrogen-bonded Turntrans-51.110.3177.549.30000116.6
313E50.3Low68.1Low101 Ų10175.2 Ų75.247%0.47242%0.422SS..THydrogen-bonded Turntrans-92.3-13.1-174.1-64.3-173.7158.200114.3D311 S315 F392D311-E313 HydrophobicContact CB-CG 4.46Å; D311-E313 PolarHBondContact O-N 2.92Å; E313-S315 PolarHBondContact O-N 2.89Å; E313-F392 WeakPolarHBondContact OE2-CZ 3.41Å
314C60.6Low69.4Low75 Ų7574 Ų7451%0.50741%0.411SS..  trans-90.974.8175.6-71.10000112.4
315S80.9Confident71.3Confident32 Ų3268.1 Ų68.122%0.22438%0.379CS..PPolyproline II helixtrans-74.4138.2174.853.50000112.3F300 E313 S317F300-S315 WeakPolarHBondContact CB-O 3.43Å; E313-S315 PolarHBondContact O-N 2.89Å; S315-S317 PolarHBondContact O-N 3.49Å
316L94.7Very high73.9Confident55 Ų5562 Ų6229%0.28835%0.347SS..PPolyproline II helixtrans-56.6130.5166.3172.164.9000109.5D255 Y301 P302 G318 L320 Y321D255-L316 WeakPolarHBondContact CB-O 3.34Å; Y301-L316 HydrophobicContact CD2-CD1 3.52Å; Y301-L316 HydrophobicContact CE2-CD1 3.99Å; P302-L316 HydrophobicContact CG-CB 4.47Å; L316-G318 PolarHBondContact O-N 2.9Å; L316-L320 HydrophobicContact CD1-CB 3.92Å; L316-L320 HydrophobicContact CD1-CD1 4.5Å; L316-Y321 HydrophobicContact CD2-CD2 4.26Å
317S97.5Very high76.6Confident0 Ų056.6 Ų56.60%032%0.318CS..PPolyproline II helixtrans-47.8132.4172.3166.90000112.1D255 T298 F300 S315 Y319 L320 Y321D255-S317 WeakPolarHBondContact OD1-CA 3.48Å; T298-S317 WeakPolarHBondContact O-CB 3.47Å; T298-S317 PolarHBondContact O-OG 3.12Å; F300-S317 VanDerWaalsContact O-CB 3.29Å; F300-S317 WeakPolarHBondContact O-CB 3.5Å; F300-S317 PolarHBondContact O-N 2.86Å; S315-S317 PolarHBondContact O-N 3.49Å; S317-Y319 VanDerWaalsContact C-N 3.28Å; S317-Y319 PolarHBondContact O-N 3.46Å; S317-Y319 PolarHBondContact OG-N 3Å; S317-L320 PolarHBondContact O-N 2.95Å; S317-L320 VanDerWaalsContact O-N 3.12Å; S317-L320 PolarHBondContact OG-N 2.96Å; S317-Y321 PolarHBondContact O-N 2.76Å
318G97.4Very high79.6Confident0 Ų051 Ų510%029%0.294CS..Hα-helixtrans-56.8-42.4175.700000112D255 W258 S259 L316 L320 Y321 A322D255-G318 PolarHBondContact OD1-N 3.37Å; W258-G318 VanDerWaalsContact CZ3-C 3.43Å; W258-G318 WeakPolarHBondContact CZ3-O 3.42Å; S259-G318 WeakPolarHBondContact OG-CA 3.09Å; L316-G318 PolarHBondContact O-N 2.9Å; G318-L320 PolarHBondContact O-N 2.8Å; G318-Y321 WeakPolarHBondContact O-CB 3.15Å; G318-Y321 PolarHBondContact O-N 2.82Å; G318-A322 WeakPolarHBondContact O-CB 3.24Å; G318-A322 PolarHBondContact O-N 2.89Å
319Y98.8Very high82.5Confident0 Ų049.5 Ų49.50%028%0.278CS..Hα-helixtrans-58.4-48.9174.3-70.7-76000112.3L185 G283 C286 L287 L297 S317 Y321 A322 I323 L349L185-Y319 HydrophobicContact CB-CD1 4.48Å; L185-Y319 HydrophobicContact CB-CE1 4.26Å; G283-Y319 WeakPolarHBondContact O-CE1 3.25Å; G283-Y319 PolarHBondContact O-OH 3.04Å; C286-Y319 HydrophobicContact CB-CE2 4.05Å; C286-Y319 WeakPolarHBondContact CB-OH 3.34Å; C286-Y319 PolarHBondContact N-OH 3.08Å; C286-Y319 VanDerWaalsContact N-OH 3.1Å; L287-Y319 HydrophobicContact CD2-CD2 4.4Å; L287-Y319 HydrophobicContact CD2-CE2 4.13Å; L287-Y319 HydrophobicContact CG-CE2 4.31Å; L297-Y319 HydrophobicContact CB-CD2 4.2Å; L297-Y319 HydrophobicContact CB-CE2 3.96Å; L297-Y319 HydrophobicContact CD1-CD2 3.99Å; L297-Y319 HydrophobicContact CD1-CE2 3.73Å; L297-Y319 HydrophobicContact CG-CE2 4.44Å; S317-Y319 VanDerWaalsContact C-N 3.28Å; S317-Y319 PolarHBondContact O-N 3.46Å; S317-Y319 PolarHBondContact OG-N 3Å; Y319-Y321 VanDerWaalsContact C-N 3.32Å; Y319-Y321 PolarHBondContact O-N 3.22Å; Y319-A322 PolarHBondContact O-N 2.81Å; Y319-I323 WeakPolarHBondContact O-CG1 3.35Å; Y319-I323 PolarHBondContact O-N 3.26Å; Y319-L349 HydrophobicContact CD1-CD2 4.28Å; Y319-L349 HydrophobicContact CD2-CD1 3.94Å; Y319-L349 HydrophobicContact CD2-CD2 3.64Å; Y319-L349 HydrophobicContact CD2-CG 4.46Å; Y319-L349 HydrophobicContact CE1-CD2 4.37Å; Y319-L349 HydrophobicContact CE2-CD2 3.73Å; Y319-L349 HydrophobicContact CG-CD1 4.06Å; Y319-L349 HydrophobicContact CG-CD2 3.9Å
320L98.5Very high85.2Confident1 Ų148 Ų481%0.00526%0.263CS..Hα-helixtrans-66-37.5-179.4-61.1-176000111.5Y301 L316 S317 G318 K324 R352 V353 L356Y301-L320 HydrophobicContact CD2-CD1 3.94Å; Y301-L320 HydrophobicContact CG-CD1 3.91Å; L316-L320 HydrophobicContact CD1-CB 3.92Å; L316-L320 HydrophobicContact CD1-CD1 4.5Å; S317-L320 PolarHBondContact O-N 2.95Å; S317-L320 VanDerWaalsContact O-N 3.12Å; S317-L320 PolarHBondContact OG-N 2.96Å; G318-L320 PolarHBondContact O-N 2.8Å; L320-K324 WeakPolarHBondContact O-CB 3.39Å; L320-K324 PolarHBondContact O-N 3.04Å; L320-R352 HydrophobicContact CD1-CB 4.29Å; L320-R352 HydrophobicContact CD2-CB 4.06Å; L320-V353 HydrophobicContact CD2-CG2 3.8Å; L320-L356 HydrophobicContact CB-CD1 3.87Å; L320-L356 HydrophobicContact CD2-CD1 4.07Å; L320-L356 HydrophobicContact CG-CD1 4.42Å
321Y97.8Very high88Confident58 Ų5845.1 Ų45.123%0.22724%0.243CC..Hα-helixtrans-58.6-50.5171.7171.4-97000111.8S259 L316 S317 G318 Y319 K324 K325S259-Y321 VanDerWaalsContact CB-CD1 3.48Å; S259-Y321 VanDerWaalsContact O-CE1 3.22Å; S259-Y321 WeakPolarHBondContact O-CE1 3.37Å; L316-Y321 HydrophobicContact CD2-CD2 4.26Å; S317-Y321 PolarHBondContact O-N 2.76Å; G318-Y321 WeakPolarHBondContact O-CB 3.15Å; G318-Y321 PolarHBondContact O-N 2.82Å; Y319-Y321 VanDerWaalsContact C-N 3.32Å; Y319-Y321 PolarHBondContact O-N 3.22Å; Y321-K324 PolarHBondContact O-N 3.17Å; Y321-K325 WeakPolarHBondContact O-CB 3.2Å; Y321-K325 PolarHBondContact O-N 3.08Å; Y321-K325 WeakPolarHBondContact OH-CE 3.38Å; Y321-K325 PolarHBondContact OH-NZ 2.66Å
322A98.6Very high90.8Very high0 Ų040.1 Ų40.10%022%0.217CC..Hα-helixtrans-61.9-49.8-17900000112.1L185 W258 I262 L266 G318 Y319 K324 K325 I326L185-A322 HydrophobicContact CD1-CB 3.87Å; W258-A322 HydrophobicContact CH2-CB 4.01Å; W258-A322 HydrophobicContact CZ3-CB 3.97Å; I262-A322 HydrophobicContact CD1-CB 3.87Å; L266-A322 HydrophobicContact CD1-CB 4.32Å; G318-A322 WeakPolarHBondContact O-CB 3.24Å; G318-A322 PolarHBondContact O-N 2.89Å; Y319-A322 PolarHBondContact O-N 2.81Å; A322-K324 PolarHBondContact O-N 2.72Å; A322-K325 PolarHBondContact O-N 3.22Å; A322-I326 WeakPolarHBondContact O-CG1 3.21Å; A322-I326 PolarHBondContact O-N 3.39Å
323I98.7Very high93.3Very high2 Ų234 Ų341%0.0118%0.175CC..Hα-helixtrans-62.6-45.7179.5-63.4-64.8000110.3V280 Y319 K325 I326 L327 I335 V353 L356V280-I323 HydrophobicContact CB-CD1 4.46Å; V280-I323 HydrophobicContact CG1-CD1 3.83Å; Y319-I323 WeakPolarHBondContact O-CG1 3.35Å; Y319-I323 PolarHBondContact O-N 3.26Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 2.81Å; I323-I326 PolarHBondContact O-N 3.23Å; I323-L327 HydrophobicContact CG2-CD1 3.73Å; I323-L327 HydrophobicContact CG2-CG 4.08Å; I323-L327 WeakPolarHBondContact O-CB 3.14Å; I323-L327 VanDerWaalsContact O-CG 3.25Å; I323-L327 WeakPolarHBondContact O-CG 3.47Å; I323-L327 PolarHBondContact O-N 2.92Å; I323-I335 HydrophobicContact CD1-CD1 4.41Å; I323-I335 HydrophobicContact CD1-CG2 4.41Å; I323-I335 HydrophobicContact CG2-CD1 4.13Å; I323-V353 HydrophobicContact CG1-CG1 4.08Å; I323-V353 HydrophobicContact CG2-CG1 4.23Å; I323-L356 HydrophobicContact CB-CD2 4.39Å; I323-L356 HydrophobicContact CG2-CD2 3.83Å
324K98.4Very high95.6Very high72 Ų7229.2 Ų29.231%0.31315%0.152SC..Hα-helixtrans-58.2-44.2176.9-175.6164.7-176149.60112.1L320 Y321 A322 L327 S328 L356 E360L320-K324 WeakPolarHBondContact O-CB 3.39Å; L320-K324 PolarHBondContact O-N 3.04Å; Y321-K324 PolarHBondContact O-N 3.17Å; A322-K324 PolarHBondContact O-N 2.72Å; K324-L327 PolarHBondContact O-N 2.81Å; K324-S328 PolarHBondContact O-N 3.32Å; K324-L356 HydrophobicContact CB-CD1 4.25Å; K324-L356 HydrophobicContact CB-CD2 4.14Å; K324-E360 WeakPolarHBondContact CE-OE1 3.36Å; K324-E360 HydrophobicContact CG-CG 4.28Å; K324-E360 IonicContact NZ-OE1 3.06Å; K324-E360 PolarHBondContact NZ-OE1 3.43Å
325K98.3Very high97.4Very high36 Ų3625.7 Ų25.716%0.15713%0.128CC..Hα-helixtrans-60.7-49.6176.6-177.7176.4-70.6-70.60111.3L266 D267 Y321 A322 I323 L327 S328 W329L266-K325 HydrophobicContact CB-CD 4.02Å; L266-K325 HydrophobicContact CD1-CD 4.23Å; D267-K325 WeakPolarHBondContact OD1-CD 3.37Å; D267-K325 WeakPolarHBondContact OD1-CG 3.28Å; D267-K325 IonicContact OD1-NZ 3.78Å; D267-K325 IonicContact OD2-NZ 2.68Å; D267-K325 PolarHBondContact OD2-NZ 2.85Å; Y321-K325 WeakPolarHBondContact O-CB 3.2Å; Y321-K325 PolarHBondContact O-N 3.08Å; Y321-K325 WeakPolarHBondContact OH-CE 3.38Å; Y321-K325 PolarHBondContact OH-NZ 2.66Å; A322-K325 PolarHBondContact O-N 3.22Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 2.81Å; K325-L327 PolarHBondContact O-N 3.07Å; K325-S328 VanDerWaalsContact O-CB 3.3Å; K325-S328 WeakPolarHBondContact O-CB 3.23Å; K325-S328 PolarHBondContact O-N 2.87Å; K325-S328 VanDerWaalsContact O-N 3.17Å; K325-S328 PolarHBondContact O-OG 3.14Å; K325-W329 HydrophobicContact CG-CZ2 4.23Å; K325-W329 PolarHBondContact O-NE1 3.13Å
326I98.8Very high98.3Very high1 Ų124.1 Ų24.11%0.00512%0.118CC..Hα-helixtrans-60-45.7178.5-69.7162.6000111.4V183 L266 V278 V280 A322 I323 S328 W329 T333V183-I326 HydrophobicContact CB-CD1 4.45Å; V183-I326 HydrophobicContact CG1-CD1 4.25Å; V183-I326 HydrophobicContact CG2-CD1 4.42Å; L266-I326 HydrophobicContact CD1-CD1 4.37Å; L266-I326 HydrophobicContact CD1-CG1 4.37Å; L266-I326 HydrophobicContact CD2-CD1 4.5Å; V278-I326 HydrophobicContact CB-CG2 4.31Å; V278-I326 HydrophobicContact CG1-CG2 3.84Å; V280-I326 HydrophobicContact CG1-CD1 4.37Å; V280-I326 HydrophobicContact CG2-CD1 3.82Å; V280-I326 HydrophobicContact CG2-CG2 4.12Å; A322-I326 WeakPolarHBondContact O-CG1 3.21Å; A322-I326 PolarHBondContact O-N 3.39Å; I323-I326 PolarHBondContact O-N 3.23Å; I326-S328 PolarHBondContact O-N 3.28Å; I326-W329 HydrophobicContact CB-CE3 4.31Å; I326-W329 HydrophobicContact CB-CH2 4.42Å; I326-W329 HydrophobicContact CB-CZ3 4.13Å; I326-W329 HydrophobicContact CG1-CE3 4.39Å; I326-W329 HydrophobicContact CG1-CH2 3.67Å; I326-W329 HydrophobicContact CG1-CZ2 4.26Å; I326-W329 HydrophobicContact CG1-CZ3 3.74Å; I326-W329 HydrophobicContact CG2-CE3 4.13Å; I326-W329 HydrophobicContact CG2-CZ3 4.06Å; I326-W329 WeakPolarHBondContact O-CB 3.41Å; I326-W329 PolarHBondContact O-N 2.91Å; I326-T333 HydrophobicContact CG2-CG2 4.19Å
327L98.6Very high98.5Very high7 Ų721.5 Ų21.54%0.03710%0.104CC..Hα-helixtrans-66.9-25.4179.2-67.1-178.2000113V132 I323 K324 K325 W329 K330 L356 T357 E360 V361V132-L327 HydrophobicContact CG1-CD2 4.45Å; V132-L327 HydrophobicContact CG2-CD2 3.63Å; I323-L327 HydrophobicContact CG2-CD1 3.73Å; I323-L327 HydrophobicContact CG2-CG 4.08Å; I323-L327 WeakPolarHBondContact O-CB 3.14Å; I323-L327 VanDerWaalsContact O-CG 3.25Å; I323-L327 WeakPolarHBondContact O-CG 3.47Å; I323-L327 PolarHBondContact O-N 2.92Å; K324-L327 PolarHBondContact O-N 2.81Å; K325-L327 PolarHBondContact O-N 3.07Å; L327-W329 PolarHBondContact O-N 3.11Å; L327-K330 PolarHBondContact O-N 2.93Å; L327-L356 HydrophobicContact CD1-CD2 4.14Å; L327-T357 HydrophobicContact CD1-CG2 3.99Å; L327-E360 HydrophobicContact CB-CB 4.15Å; L327-E360 HydrophobicContact CD1-CB 4.01Å; L327-E360 HydrophobicContact CD1-CG 4.48Å; L327-V361 HydrophobicContact CD2-CG2 4.45Å
328S98.4Very high98.5Very high65 Ų6521.6 Ų21.646%0.45510%0.104SC..Hα-helixtrans-62.9-24.3175.183.80000113.1K324 K325 I326 K330K324-S328 PolarHBondContact O-N 3.32Å; K325-S328 VanDerWaalsContact O-CB 3.3Å; K325-S328 WeakPolarHBondContact O-CB 3.23Å; K325-S328 PolarHBondContact O-N 2.87Å; K325-S328 VanDerWaalsContact O-N 3.17Å; K325-S328 PolarHBondContact O-OG 3.14Å; I326-S328 PolarHBondContact O-N 3.28Å; S328-K330 PolarHBondContact O-N 3.41Å
329W98.6Very high98.5Very high35 Ų3521.8 Ų21.813%0.13311%0.107CC..THydrogen-bonded Turntrans-73.2-12.7179.8-51.8-25.2000113.4L181 L266 D267 N270 V278 K325 I326 L327 V331L181-W329 HydrophobicContact CD2-CH2 4.39Å; L181-W329 HydrophobicContact CD2-CZ3 4.05Å; L266-W329 VanDerWaalsContact C-CZ2 3.49Å; L266-W329 HydrophobicContact CB-CH2 3.89Å; L266-W329 HydrophobicContact CB-CZ2 3.82Å; L266-W329 HydrophobicContact CD2-CH2 4.35Å; L266-W329 WeakPolarHBondContact O-CH2 3.24Å; L266-W329 VanDerWaalsContact O-CZ2 3.25Å; L266-W329 WeakPolarHBondContact O-CZ2 3.48Å; D267-W329 PolarHBondContact OD1-NE1 3.1Å; D267-W329 VanDerWaalsContact OD1-NE1 3.15Å; N270-W329 HydrophobicContact CB-CD2 3.64Å; N270-W329 HydrophobicContact CB-CE3 3.79Å; N270-W329 HydrophobicContact CB-CG 4.25Å; N270-W329 HydrophobicContact CB-CH2 3.94Å; N270-W329 HydrophobicContact CB-CZ2 3.8Å; N270-W329 HydrophobicContact CB-CZ3 3.94Å; N270-W329 VanDerWaalsContact CG-CD2 3.42Å; V278-W329 HydrophobicContact CG2-CE3 4.16Å; V278-W329 HydrophobicContact CG2-CZ3 4.2Å; K325-W329 HydrophobicContact CG-CZ2 4.23Å; K325-W329 PolarHBondContact O-NE1 3.13Å; I326-W329 HydrophobicContact CB-CE3 4.31Å; I326-W329 HydrophobicContact CB-CH2 4.42Å; I326-W329 HydrophobicContact CB-CZ3 4.13Å; I326-W329 HydrophobicContact CG1-CE3 4.39Å; I326-W329 HydrophobicContact CG1-CH2 3.67Å; I326-W329 HydrophobicContact CG1-CZ2 4.26Å; I326-W329 HydrophobicContact CG1-CZ3 3.74Å; I326-W329 HydrophobicContact CG2-CE3 4.13Å; I326-W329 HydrophobicContact CG2-CZ3 4.06Å; I326-W329 WeakPolarHBondContact O-CB 3.41Å; I326-W329 PolarHBondContact O-N 2.91Å; L327-W329 PolarHBondContact O-N 3.11Å; W329-V331 HydrophobicContact CB-CG2 4.06Å; W329-V331 PolarHBondContact O-N 3.32Å
330K98.4Very high98.5Very high133 Ų13321.8 Ų21.858%0.57811%0.107SC*.  trans53.434.6-178.4-54.6-61.2179.3-1800113.1L327 S328 E360L327-K330 PolarHBondContact O-N 2.93Å; S328-K330 PolarHBondContact O-N 3.41Å; K330-E360 PolarHBondContact NZ-O 3.05Å
331V98.3Very high98.5Very high23 Ų2324 Ų2414%0.13912%0.115CC..  trans-93.1137.8171.4-179.20000108.4P275 V278 W329 T333P275-V331 HydrophobicContact CG-CG1 4.48Å; P275-V331 HydrophobicContact CG-CG2 4.48Å; P275-V331 WeakPolarHBondContact O-CG1 3.3Å; V278-V331 HydrophobicContact CG2-CB 4.15Å; V278-V331 HydrophobicContact CG2-CG1 3.91Å; W329-V331 HydrophobicContact CB-CG2 4.06Å; W329-V331 PolarHBondContact O-N 3.32Å; V331-T333 PolarHBondContact O-N 3.08Å; V331-T333 PolarHBondContact O-OG1 3.09Å
332P98.7Very high98.6Very high17 Ų1723 Ų2311%0.1111%0.114CC..  trans-56.2125.3176.1-19.326.6000111.2L125 E131 Y277 V278L125-P332 HydrophobicContact CD2-CB 4.26Å; E131-P332 CarbonylContact O-C 3.39Å; E131-P332 WeakPolarHBondContact O-CA 3.45Å; Y277-P332 VanDerWaalsContact CA-O 3.31Å; Y277-P332 WeakPolarHBondContact CA-O 3.48Å; Y277-P332 HydrophobicContact CD1-CB 3.79Å; Y277-P332 HydrophobicContact CD1-CG 4.33Å; Y277-P332 HydrophobicContact CE1-CB 4.05Å; Y277-P332 HydrophobicContact CE1-CG 4.34Å; V278-P332 PolarHBondContact N-O 3.47Å
333T98.9Very high98.6Very high1 Ų124.8 Ų24.81%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-125.4133.9-166.3-60.30000111.9E131 V132 V133 V278 V280 I326 V331 I335E131-T333 PolarHBondContact O-N 3.04Å; V132-T333 CarbonylContact C-O 3.49Å; V132-T333 WeakPolarHBondContact CA-O 3.49Å; V132-T333 WeakPolarHBondContact CG1-O 3.44Å; V133-T333 PolarHBondContact N-O 3.48Å; V278-T333 HydrophobicContact CB-CG2 4.25Å; V278-T333 HydrophobicContact CG1-CG2 4.5Å; V278-T333 CarbonylContact O-C 3.56Å; V278-T333 VanDerWaalsContact O-CA 3.27Å; V278-T333 WeakPolarHBondContact O-CA 3.26Å; V280-T333 HydrophobicContact CG2-CG2 4.01Å; I326-T333 HydrophobicContact CG2-CG2 4.19Å; V331-T333 PolarHBondContact O-N 3.08Å; V331-T333 PolarHBondContact O-OG1 3.09Å; T333-I335 HydrophobicContact CG2-CG1 3.97Å
334L98.9Very high98.6Very high0 Ų025.5 Ų25.50%013%0.127CC..EExtended strand (participates in β ladder)trans-101.2123.2167.3176.854.7000108.2A121 L125 V133 A160 V278 V279 V280 L336A121-L334 HydrophobicContact CB-CD1 3.48Å; A121-L334 VanDerWaalsContact CB-CD1 3.48Å; L125-L334 HydrophobicContact CD1-CB 3.88Å; V133-L334 HydrophobicContact CB-CD1 4.41Å; V133-L334 WeakPolarHBondContact O-CA 3.47Å; V133-L334 WeakPolarHBondContact O-CD1 3.34Å; A160-L334 HydrophobicContact CB-CD2 3.91Å; V278-L334 PolarHBondContact O-N 3.06Å; V279-L334 CarbonylContact C-O 3.55Å; V279-L334 WeakPolarHBondContact CA-O 3.5Å; V279-L334 HydrophobicContact CB-CB 4.48Å; V279-L334 HydrophobicContact CG1-CB 4.26Å; V279-L334 HydrophobicContact CG1-CD2 4.11Å; V279-L334 HydrophobicContact CG1-CG 4.24Å; V279-L334 HydrophobicContact CG2-CB 4.12Å; V279-L334 HydrophobicContact CG2-CD2 4.39Å; V280-L334 PolarHBondContact N-O 3.45Å; L334-L336 HydrophobicContact CD1-CD2 3.69Å; L334-L336 HydrophobicContact CD1-CG 4.4Å; L334-L336 HydrophobicContact CD2-CD1 4.3Å; L334-L336 HydrophobicContact CD2-CD2 4.04Å; L334-L336 HydrophobicContact CD2-CG 4.37Å; L334-L336 HydrophobicContact CG-CD1 4.37Å; L334-L336 HydrophobicContact CG-CD2 3.71Å; L334-L336 HydrophobicContact CG-CG 3.95Å
335I99Very high98.6Very high1 Ų122.6 Ų22.61%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-109.5126.3174.9-55.4175.4000108V132 V133 I134 N135 W136 C282 I323 T333 V353 T357V132-I335 HydrophobicContact CG1-CD1 3.87Å; V132-I335 HydrophobicContact CG1-CG1 4.12Å; V133-I335 PolarHBondContact O-N 3.31Å; I134-I335 CarbonylContact C-O 3.55Å; I134-I335 VanDerWaalsContact CA-O 3.28Å; I134-I335 WeakPolarHBondContact CA-O 3.36Å; I134-I335 HydrophobicContact CG1-CB 4.25Å; I134-I335 HydrophobicContact CG1-CD1 4.48Å; N135-I335 PolarHBondContact N-O 2.99Å; W136-I335 HydrophobicContact CH2-CG2 3.67Å; W136-I335 HydrophobicContact CZ3-CG2 3.99Å; C282-I335 HydrophobicContact CB-CG2 4.41Å; I323-I335 HydrophobicContact CD1-CD1 4.41Å; I323-I335 HydrophobicContact CD1-CG2 4.41Å; I323-I335 HydrophobicContact CG2-CD1 4.13Å; T333-I335 HydrophobicContact CG2-CG1 3.97Å; I335-V353 HydrophobicContact CG2-CG1 4.42Å; I335-T357 HydrophobicContact CD1-CG2 4.24Å
336L98.9Very high98.6Very high0 Ų020.9 Ų20.90%011%0.107CC..EExtended strand (participates in β ladder)trans-117.7163.8-176.4-57.2176.3000110.5N135 W136 I157 V279 V280 C282 L334N135-L336 HydrophobicContact CB-CD2 3.75Å; N135-L336 WeakPolarHBondContact O-CA 3.36Å; W136-L336 VanDerWaalsContact CZ3-O 3.31Å; W136-L336 WeakPolarHBondContact CZ3-O 3.39Å; I157-L336 HydrophobicContact CB-CD1 4.33Å; I157-L336 HydrophobicContact CG1-CD1 3.6Å; I157-L336 HydrophobicContact CG2-CD1 4.35Å; V279-L336 HydrophobicContact CG1-CD1 3.92Å; V280-L336 PolarHBondContact O-N 2.94Å; C282-L336 VanDerWaalsContact CB-O 3.28Å; C282-L336 WeakPolarHBondContact CB-O 3.27Å; C282-L336 PolarHBondContact N-O 3.36Å; C282-L336 VanDerWaalsContact N-O 3.09Å; L334-L336 HydrophobicContact CD1-CD2 3.69Å; L334-L336 HydrophobicContact CD1-CG 4.4Å; L334-L336 HydrophobicContact CD2-CD1 4.3Å; L334-L336 HydrophobicContact CD2-CD2 4.04Å; L334-L336 HydrophobicContact CD2-CG 4.37Å; L334-L336 HydrophobicContact CG-CD1 4.37Å; L334-L336 HydrophobicContact CG-CD2 3.71Å; L334-L336 HydrophobicContact CG-CG 3.95Å
337G98.8Very high98.6Very high0 Ų020.9 Ų20.90%011%0.107CC..  trans-75.7-134.2169.600000112.1N135 G138 C282 G283 W350N135-G337 PolarHBondContact O-N 3.41Å; G138-G337 CarbonylContact O-C 3.36Å; G138-G337 VanDerWaalsContact O-CA 3.31Å; G138-G337 WeakPolarHBondContact O-CA 3.38Å; G138-G337 PolarHBondContact O-N 3.4Å; G138-G337 VanDerWaalsContact O-N 3.15Å; C282-G337 CarbonylContact C-O 3.45Å; C282-G337 PolarHBondContact N-O 3.36Å; C282-G337 VanDerWaalsContact N-O 3.12Å; G283-G337 PolarHBondContact N-O 3.27Å; G337-W350 VanDerWaalsContact CA-CZ2 3.4Å
338G98.7Very high98.7Very high1 Ų121.4 Ų21.41%0.0111%0.109CC..  trans145.9-146-175.100000112.8R24 G138 Q281R24-G338 PolarHBondContact NH1-O 3.29Å; R24-G338 PolarHBondContact NH2-O 2.87Å; G138-G338 PolarHBondContact O-N 3.06Å; Q281-G338 VanDerWaalsContact NE2-CA 3.28Å
339G97.3Very high98.7Very high5 Ų518.3 Ų18.35%0.0529%0.087CC..  trans-58.6173.9167.900000113.4R24 D186 G283 A284 D285R24-G339 PolarHBondContact NH1-O 3.36Å; D186-G339 PolarHBondContact OD2-N 3.23Å; G283-G339 CarbonylContact C-O 3.57Å; G283-G339 WeakPolarHBondContact CA-O 3.49Å; A284-G339 PolarHBondContact N-O 3.44Å; D285-G339 WeakPolarHBondContact OD2-CA 3.28Å
340G98.5Very high98.7Very high0 Ų016.7 Ų16.70%08%0.081CC..  trans128.898.2-175.600000111.3R24R24-G340 WeakPolarHBondContact CD-O 3.44Å; R24-G340 PolarHBondContact NH1-O 3.34Å
341Y98.5Very high98.7Very high47 Ų4710.3 Ų10.318%0.1845%0.053CC..  trans-108.2-9.3-167.6-54.8-83.1000112.7K20 F21 D285 D290 H292K20-Y341 HydrophobicContact CD-CE1 4.41Å; K20-Y341 HydrophobicContact CG-CE1 4.44Å; F21-Y341 HydrophobicContact CE1-CD1 4.27Å; F21-Y341 AromaticContact CE1-CE1 3.79Å; F21-Y341 HydrophobicContact CE1-CE1 3.79Å; F21-Y341 HydrophobicContact CZ-CE1 4.07Å; D285-Y341 HydrophobicContact CB-CD2 4.29Å; D285-Y341 HydrophobicContact CB-CE2 4.29Å; D290-Y341 PolarHBondContact OD2-N 2.56Å; H292-Y341 AromaticContact CE1-CD2 3.43Å; H292-Y341 VanDerWaalsContact CE1-CD2 3.43Å; H292-Y341 WeakPolarHBondContact CE1-CD2 3.26Å; H292-Y341 AromaticContact CE1-CE2 3.34Å; H292-Y341 WeakPolarHBondContact CE1-CE2 3.47Å; H292-Y341 AromaticContact ND1-CD2 3.67Å; H292-Y341 AromaticContact ND1-CE2 3.93Å
342N98.8Very high98.7Very high38 Ų3810.3 Ų10.320%0.2035%0.051CC..  trans-88.4100158.7-176.9-26.8000109T289 P344 D345 T346T289-N342 PolarHBondContact O-ND2 2.98Å; N342-P344 WeakPolarHBondContact OD1-CD 3.36Å; N342-D345 HydrophobicContact CB-CB 4.23Å; N342-D345 PolarHBondContact ND2-OD2 3.13Å; N342-D345 PolarHBondContact O-N 3.33Å; N342-D345 PolarHBondContact OD1-N 3.22Å; N342-T346 WeakPolarHBondContact O-CB 3.25Å; N342-T346 PolarHBondContact O-N 2.68Å; N342-T346 PolarHBondContact O-OG1 3.32Å
343F98.8Very high98.7Very high37 Ų379.5 Ų9.516%0.1625%0.045CC..Hα-helixtrans-67.1-45.4-170.2-55.5-12.5000113.8F21 R24 L27 D345 T346 A347F21-F343 WeakPolarHBondContact O-CE2 3.33Å; F21-F343 WeakPolarHBondContact O-CZ 3.48Å; R24-F343 HydrophobicContact CB-CB 4.12Å; R24-F343 HydrophobicContact CB-CD1 3.76Å; R24-F343 HydrophobicContact CB-CD2 3.91Å; R24-F343 HydrophobicContact CB-CE1 4.12Å; R24-F343 HydrophobicContact CB-CE2 4.25Å; R24-F343 HydrophobicContact CB-CG 3.66Å; R24-F343 HydrophobicContact CB-CZ 4.36Å; R24-F343 HydrophobicContact CG-CB 3.97Å; R24-F343 HydrophobicContact CG-CD1 3.71Å; R24-F343 HydrophobicContact CG-CE1 4.37Å; R24-F343 HydrophobicContact CG-CG 3.84Å; L27-F343 HydrophobicContact CD2-CB 4.12Å; F343-D345 VanDerWaalsContact C-N 3.32Å; F343-D345 PolarHBondContact O-N 3.31Å; F343-T346 PolarHBondContact O-N 3.05Å; F343-A347 PolarHBondContact O-N 2.93Å
344P98.9Very high98.7Very high17 Ų179.5 Ų9.511%0.115%0.045CC..Hα-helixtrans-57-43.3173.5-26.636.2000112.8L27 N342 A347 R348 R380 Y381L27-P344 HydrophobicContact CD2-CG 4.29Å; N342-P344 WeakPolarHBondContact OD1-CD 3.36Å; P344-A347 WeakPolarHBondContact O-CB 3.49Å; P344-A347 PolarHBondContact O-N 3.21Å; P344-R348 WeakPolarHBondContact O-CG 3.45Å; P344-R348 PolarHBondContact O-N 3.36Å; P344-R380 HydrophobicContact CG-CB 4.35Å; P344-R380 VanDerWaalsContact CG-O 3.23Å; P344-R380 WeakPolarHBondContact CG-O 3.38Å; P344-Y381 HydrophobicContact CB-CD1 4.03Å; P344-Y381 HydrophobicContact CB-CE1 4.02Å
345D98.9Very high98.7Very high10 Ų109.7 Ų9.75%0.0535%0.047CC..Hα-helixtrans-75-31.9-177.5-66.9-7.5000112.9L287 T289 N342 F343 A347 R348 L349 I389L287-D345 HydrophobicContact CD1-CB 4.11Å; T289-D345 WeakPolarHBondContact CB-OD2 3.38Å; T289-D345 PolarHBondContact OG1-OD2 3.27Å; N342-D345 HydrophobicContact CB-CB 4.23Å; N342-D345 PolarHBondContact ND2-OD2 3.13Å; N342-D345 PolarHBondContact O-N 3.33Å; N342-D345 PolarHBondContact OD1-N 3.22Å; F343-D345 VanDerWaalsContact C-N 3.32Å; F343-D345 PolarHBondContact O-N 3.31Å; D345-A347 VanDerWaalsContact C-N 3.32Å; D345-R348 WeakPolarHBondContact O-CB 3.27Å; D345-R348 PolarHBondContact O-N 2.82Å; D345-R348 WeakPolarHBondContact OD1-CD 3.4Å; D345-R348 IonicContact OD1-CZ 3.36Å; D345-R348 IonicContact OD1-NE 3.55Å; D345-R348 IonicContact OD1-NH1 2.88Å; D345-R348 PolarHBondContact OD1-NH1 2.89Å; D345-L349 PolarHBondContact O-N 3Å; D345-I389 HydrophobicContact CB-CG2 3.84Å
346T98.9Very high98.7Very high1 Ų19.7 Ų9.71%0.0065%0.047CC..Hα-helixtrans-59.6-45.4166.9-58.70000110.4R24 V28 A284 N342 F343 L349 W350R24-T346 HydrophobicContact CG-CG2 4.38Å; V28-T346 HydrophobicContact CG2-CG2 4.45Å; A284-T346 HydrophobicContact CB-CG2 3.78Å; N342-T346 WeakPolarHBondContact O-CB 3.25Å; N342-T346 PolarHBondContact O-N 2.68Å; N342-T346 PolarHBondContact O-OG1 3.32Å; F343-T346 PolarHBondContact O-N 3.05Å; T346-L349 PolarHBondContact O-N 3.37Å; T346-W350 HydrophobicContact CG2-CD2 3.64Å; T346-W350 HydrophobicContact CG2-CE3 3.59Å; T346-W350 HydrophobicContact CG2-CG 4.4Å; T346-W350 HydrophobicContact CG2-CH2 3.7Å; T346-W350 HydrophobicContact CG2-CZ2 3.75Å; T346-W350 HydrophobicContact CG2-CZ3 3.63Å; T346-W350 WeakPolarHBondContact O-CB 3.48Å; T346-W350 PolarHBondContact O-N 2.83Å
347A98.9Very high98.7Very high0 Ų09.7 Ų9.70%05%0.047CC..Hα-helixtrans-63-4217600000112.2L27 V28 L31 F343 P344 D345 T351 Y381L27-A347 HydrophobicContact CB-CB 4.26Å; V28-A347 HydrophobicContact CB-CB 4.48Å; V28-A347 HydrophobicContact CG2-CB 3.97Å; L31-A347 HydrophobicContact CB-CB 4.49Å; L31-A347 HydrophobicContact CD2-CB 4.02Å; F343-A347 PolarHBondContact O-N 2.93Å; P344-A347 WeakPolarHBondContact O-CB 3.49Å; P344-A347 PolarHBondContact O-N 3.21Å; D345-A347 VanDerWaalsContact C-N 3.32Å; A347-T351 WeakPolarHBondContact O-CB 3.44Å; A347-T351 PolarHBondContact O-N 3.4Å; A347-T351 PolarHBondContact O-OG1 2.98Å; A347-Y381 HydrophobicContact CB-CE1 4.39Å; A347-Y381 WeakPolarHBondContact CB-OH 3.25Å
348R98.9Very high98.7Very high19 Ų199.7 Ų9.77%0.0725%0.047CC..Hα-helixtrans-57.6-50.5174.7-73.3174.3169.1104.30.1111.7P344 D345 R352 Y381 E386 L387P344-R348 WeakPolarHBondContact O-CG 3.45Å; P344-R348 PolarHBondContact O-N 3.36Å; D345-R348 WeakPolarHBondContact O-CB 3.27Å; D345-R348 PolarHBondContact O-N 2.82Å; D345-R348 WeakPolarHBondContact OD1-CD 3.4Å; D345-R348 IonicContact OD1-CZ 3.36Å; D345-R348 IonicContact OD1-NE 3.55Å; D345-R348 IonicContact OD1-NH1 2.88Å; D345-R348 PolarHBondContact OD1-NH1 2.89Å; R348-R352 PolarHBondContact O-N 3.28Å; R348-Y381 HydrophobicContact CG-CD1 4.29Å; R348-Y381 HydrophobicContact CG-CE1 4.23Å; R348-Y381 PolarHBondContact NH2-O 3.21Å; R348-E386 PolarHBondContact NE-O 2.93Å; R348-E386 PolarHBondContact NH2-O 2.73Å; R348-L387 HydrophobicContact CB-CD1 4.24Å; R348-L387 WeakPolarHBondContact CB-O 3.29Å; R348-L387 VanDerWaalsContact CD-O 3.3Å; R348-L387 WeakPolarHBondContact CD-O 3.38Å; R348-L387 HydrophobicContact CG-CD1 4.25Å; R348-L387 WeakPolarHBondContact CG-O 3.5Å
349L98.9Very high98.6Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-62.3-55.2178.7174.664.6000111.6A284 L287 N299 Y319 D345 T346 T351 R352 V353A284-L349 HydrophobicContact CB-CD2 3.78Å; L287-L349 HydrophobicContact CD1-CB 4.05Å; L287-L349 HydrophobicContact CD1-CD2 4.11Å; L287-L349 HydrophobicContact CD2-CD2 4.16Å; L287-L349 HydrophobicContact CG-CD2 4.17Å; N299-L349 HydrophobicContact CB-CB 4.15Å; N299-L349 HydrophobicContact CB-CD1 3.92Å; Y319-L349 HydrophobicContact CD1-CD2 4.28Å; Y319-L349 HydrophobicContact CD2-CD1 3.94Å; Y319-L349 HydrophobicContact CD2-CD2 3.64Å; Y319-L349 HydrophobicContact CD2-CG 4.46Å; Y319-L349 HydrophobicContact CE1-CD2 4.37Å; Y319-L349 HydrophobicContact CE2-CD2 3.73Å; Y319-L349 HydrophobicContact CG-CD1 4.06Å; Y319-L349 HydrophobicContact CG-CD2 3.9Å; D345-L349 PolarHBondContact O-N 3Å; T346-L349 PolarHBondContact O-N 3.37Å; L349-T351 PolarHBondContact O-N 3.11Å; L349-R352 WeakPolarHBondContact O-CA 3.18Å; L349-R352 WeakPolarHBondContact O-CB 3.37Å; L349-R352 PolarHBondContact O-N 2.96Å; L349-V353 HydrophobicContact CD1-CG2 4.2Å; L349-V353 HydrophobicContact CG-CG2 4.37Å; L349-V353 WeakPolarHBondContact O-CG2 3.38Å; L349-V353 PolarHBondContact O-N 3.25Å
350W98.9Very high98.7Very high0 Ų012.9 Ų12.90%06%0.06CC..Hα-helixtrans-67.3-25.8-174.6-71.3-9000113.1V28 W136 C282 A284 G337 T346 T354V28-W350 HydrophobicContact CB-CE3 4.35Å; V28-W350 HydrophobicContact CG1-CB 4.24Å; V28-W350 HydrophobicContact CG1-CE3 3.89Å; V28-W350 HydrophobicContact CG2-CE3 3.54Å; V28-W350 HydrophobicContact CG2-CZ3 4.01Å; W136-W350 HydrophobicContact CB-CE3 3.84Å; W136-W350 HydrophobicContact CB-CZ3 3.98Å; W136-W350 HydrophobicContact CD2-CB 3.95Å; W136-W350 AromaticContact CD2-CD2 3.78Å; W136-W350 HydrophobicContact CD2-CD2 3.78Å; W136-W350 AromaticContact CD2-CE3 3.79Å; W136-W350 HydrophobicContact CD2-CE3 3.79Å; W136-W350 AromaticContact CD2-CG 3.87Å; W136-W350 HydrophobicContact CD2-CG 3.87Å; W136-W350 AromaticContact CE2-CG 3.99Å; W136-W350 HydrophobicContact CE3-CB 4.27Å; W136-W350 AromaticContact CE3-CD2 3.44Å; W136-W350 HydrophobicContact CE3-CD2 3.44Å; W136-W350 VanDerWaalsContact CE3-CD2 3.44Å; W136-W350 AromaticContact CE3-CE2 3.73Å; W136-W350 AromaticContact CE3-CE3 3.74Å; W136-W350 HydrophobicContact CE3-CE3 3.74Å; W136-W350 AromaticContact CE3-CG 3.69Å; W136-W350 HydrophobicContact CE3-CG 3.69Å; W136-W350 HydrophobicContact CE3-CZ2 4.3Å; W136-W350 HydrophobicContact CE3-CZ3 4.28Å; W136-W350 HydrophobicContact CG-CD2 4.32Å; W136-W350 AromaticContact CG-CE3 3.85Å; W136-W350 HydrophobicContact CG-CE3 3.85Å; W136-W350 HydrophobicContact CG-CZ3 4.46Å; W136-W350 HydrophobicContact CH2-CB 4.17Å; W136-W350 AromaticContact CH2-CD1 3.77Å; W136-W350 HydrophobicContact CH2-CD2 4.5Å; W136-W350 AromaticContact CH2-CG 3.9Å; W136-W350 HydrophobicContact CH2-CG 3.9Å; W136-W350 HydrophobicContact CZ2-CB 3.8Å; W136-W350 HydrophobicContact CZ2-CG 4.04Å; W136-W350 HydrophobicContact CZ3-CB 4.38Å; W136-W350 AromaticContact CZ3-CD1 3.6Å; W136-W350 AromaticContact CZ3-CD2 3.85Å; W136-W350 HydrophobicContact CZ3-CD2 3.85Å; W136-W350 AromaticContact CZ3-CE2 3.88Å; W136-W350 AromaticContact CZ3-CG 3.72Å; W136-W350 HydrophobicContact CZ3-CG 3.72Å; W136-W350 AromaticContact CZ3-NE1 3.69Å; C282-W350 PolarHBondContact O-NE1 3.34Å; A284-W350 HydrophobicContact CB-CZ2 4.4Å; G337-W350 VanDerWaalsContact CA-CZ2 3.4Å; T346-W350 HydrophobicContact CG2-CD2 3.64Å; T346-W350 HydrophobicContact CG2-CE3 3.59Å; T346-W350 HydrophobicContact CG2-CG 4.4Å; T346-W350 HydrophobicContact CG2-CH2 3.7Å; T346-W350 HydrophobicContact CG2-CZ2 3.75Å; T346-W350 HydrophobicContact CG2-CZ3 3.63Å; T346-W350 WeakPolarHBondContact O-CB 3.48Å; T346-W350 PolarHBondContact O-N 2.83Å; W350-T354 WeakPolarHBondContact O-CB 3.24Å; W350-T354 PolarHBondContact O-N 2.72Å; W350-T354 PolarHBondContact O-OG1 2.85Å
351T98.9Very high98.6Very high0 Ų013.3 Ų13.30%06%0.063CC..Hα-helixtrans-64.7-45.3168.5-63.50000111.4L31 I32 Y35 L37 A347 L349 T354 A355 L368L31-T351 WeakPolarHBondContact CD2-OG1 3.17Å; L31-T351 HydrophobicContact CG-CG2 4.32Å; L31-T351 WeakPolarHBondContact CG-OG1 3.43Å; I32-T351 HydrophobicContact CG1-CG2 4.47Å; Y35-T351 HydrophobicContact CD2-CG2 3.55Å; Y35-T351 HydrophobicContact CE2-CG2 4.09Å; Y35-T351 HydrophobicContact CG-CG2 4.22Å; L37-T351 HydrophobicContact CD1-CG2 4.22Å; A347-T351 WeakPolarHBondContact O-CB 3.44Å; A347-T351 PolarHBondContact O-N 3.4Å; A347-T351 PolarHBondContact O-OG1 2.98Å; L349-T351 PolarHBondContact O-N 3.11Å; T351-T354 WeakPolarHBondContact O-CB 3.15Å; T351-T354 PolarHBondContact O-N 3.43Å; T351-A355 PolarHBondContact O-N 3.21Å; T351-L368 HydrophobicContact CG2-CD1 4.45Å
352R98.7Very high98.6Very high23 Ų2314.1 Ų14.19%0.0877%0.067CC..Hα-helixtrans-65.6-41.2175.4-75.9-169171.5165.64.7112.5N299 F300 L320 R348 L349 T354 A355 L356 L368 L387 D388N299-R352 VanDerWaalsContact C-NH1 3.29Å; N299-R352 WeakPolarHBondContact O-CD 3.46Å; N299-R352 PolarHBondContact O-NH1 3.07Å; F300-R352 VanDerWaalsContact CA-NH1 3.27Å; L320-R352 HydrophobicContact CD1-CB 4.29Å; L320-R352 HydrophobicContact CD2-CB 4.06Å; R348-R352 PolarHBondContact O-N 3.28Å; L349-R352 WeakPolarHBondContact O-CA 3.18Å; L349-R352 WeakPolarHBondContact O-CB 3.37Å; L349-R352 PolarHBondContact O-N 2.96Å; R352-T354 VanDerWaalsContact C-N 3.27Å; R352-T354 PolarHBondContact O-N 3.44Å; R352-A355 PolarHBondContact O-N 3.32Å; R352-L356 WeakPolarHBondContact O-CB 3.44Å; R352-L356 PolarHBondContact O-N 2.91Å; R352-L368 HydrophobicContact CG-CD1 4.03Å; R352-L387 HydrophobicContact CG-CD2 4.01Å; R352-L387 HydrophobicContact CG-CG 4.39Å; R352-D388 IonicContact CZ-OD1 3.47Å; R352-D388 IonicContact NH1-OD1 3.85Å; R352-D388 PolarHBondContact NH1-OD1 2.92Å; R352-D388 IonicContact NH2-OD1 3.9Å; R352-D388 PolarHBondContact NH2-OD1 3.46Å; R352-D388 IonicContact NH2-OD2 3.61Å
353V98.8Very high98.5Very high0 Ų015.8 Ų15.80%09%0.093CC..Hα-helixtrans-59.9-40.6174.2175.60000110.9W136 L320 I323 I335 L349 T357W136-V353 HydrophobicContact CH2-CB 4.08Å; W136-V353 HydrophobicContact CH2-CG1 3.71Å; W136-V353 HydrophobicContact CZ2-CB 4.11Å; W136-V353 HydrophobicContact CZ2-CG1 3.96Å; L320-V353 HydrophobicContact CD2-CG2 3.8Å; I323-V353 HydrophobicContact CG1-CG1 4.08Å; I323-V353 HydrophobicContact CG2-CG1 4.23Å; I335-V353 HydrophobicContact CG2-CG1 4.42Å; L349-V353 HydrophobicContact CD1-CG2 4.2Å; L349-V353 HydrophobicContact CG-CG2 4.37Å; L349-V353 WeakPolarHBondContact O-CG2 3.38Å; L349-V353 PolarHBondContact O-N 3.25Å; V353-T357 WeakPolarHBondContact O-CB 3.09Å; V353-T357 PolarHBondContact O-N 3.1Å; V353-T357 PolarHBondContact O-OG1 2.98Å
354T98.9Very high98.4Very high0 Ų018.3 Ų18.30%010%0.104CC..Hα-helixtrans-64.6-46.7177.2-58.80000111.3I32 L37 L41 I134 W136 W350 T351 R352 T357 I358I32-T354 HydrophobicContact CD1-CG2 4.35Å; I32-T354 HydrophobicContact CG2-CG2 4.14Å; L37-T354 HydrophobicContact CD1-CG2 4.19Å; L41-T354 HydrophobicContact CD1-CG2 3.69Å; L41-T354 HydrophobicContact CD2-CG2 4.32Å; I134-T354 HydrophobicContact CD1-CG2 4.14Å; W136-T354 PolarHBondContact NE1-OG1 2.89Å; W136-T354 VanDerWaalsContact NE1-OG1 3.11Å; W350-T354 WeakPolarHBondContact O-CB 3.24Å; W350-T354 PolarHBondContact O-N 2.72Å; W350-T354 PolarHBondContact O-OG1 2.85Å; T351-T354 WeakPolarHBondContact O-CB 3.15Å; T351-T354 PolarHBondContact O-N 3.43Å; R352-T354 VanDerWaalsContact C-N 3.27Å; R352-T354 PolarHBondContact O-N 3.44Å; T354-T357 PolarHBondContact O-N 3.34Å; T354-I358 HydrophobicContact CG2-CD1 4.34Å; T354-I358 WeakPolarHBondContact O-CG1 3.34Å; T354-I358 PolarHBondContact O-N 3.09Å; T354-I358 VanDerWaalsContact O-N 3.11Å
355A98.6Very high98.2Very high4 Ų423.8 Ų23.83%0.03313%0.126CC..Hα-helixtrans-62-48.3176.800000111.9L37 T351 R352 T357 I358 E359 M366 L368L37-A355 HydrophobicContact CD1-CB 3.98Å; L37-A355 HydrophobicContact CD2-CB 4.36Å; T351-A355 PolarHBondContact O-N 3.21Å; R352-A355 PolarHBondContact O-N 3.32Å; A355-T357 VanDerWaalsContact C-N 3.28Å; A355-T357 PolarHBondContact O-N 2.94Å; A355-I358 WeakPolarHBondContact O-CB 3.13Å; A355-I358 PolarHBondContact O-N 3.27Å; A355-I358 VanDerWaalsContact O-N 3.09Å; A355-E359 WeakPolarHBondContact O-CG 3.5Å; A355-E359 PolarHBondContact O-N 2.57Å; A355-M366 HydrophobicContact CB-CB 4.07Å; A355-L368 HydrophobicContact CB-CD1 3.72Å; A355-L368 HydrophobicContact CB-CD2 4.04Å; A355-L368 HydrophobicContact CB-CG 4.05Å
356L98.3Very high98Very high2 Ų224.5 Ų24.51%0.0113%0.13CC..Hα-helixtrans-58-41.6176.9-178.1149.1000111.4Y301 L320 I323 K324 L327 R352 I358 E359 E360Y301-L356 HydrophobicContact CE2-CD1 4.25Å; L320-L356 HydrophobicContact CB-CD1 3.87Å; L320-L356 HydrophobicContact CD2-CD1 4.07Å; L320-L356 HydrophobicContact CG-CD1 4.42Å; I323-L356 HydrophobicContact CB-CD2 4.39Å; I323-L356 HydrophobicContact CG2-CD2 3.83Å; K324-L356 HydrophobicContact CB-CD1 4.25Å; K324-L356 HydrophobicContact CB-CD2 4.14Å; L327-L356 HydrophobicContact CD1-CD2 4.14Å; R352-L356 WeakPolarHBondContact O-CB 3.44Å; R352-L356 PolarHBondContact O-N 2.91Å; L356-I358 VanDerWaalsContact C-N 3.32Å; L356-I358 PolarHBondContact O-N 3.39Å; L356-E359 WeakPolarHBondContact O-CB 3.26Å; L356-E359 PolarHBondContact O-N 2.89Å; L356-E359 VanDerWaalsContact O-N 3.13Å; L356-E360 HydrophobicContact CD2-CG 3.86Å; L356-E360 HydrophobicContact CG-CG 4.21Å; L356-E360 WeakPolarHBondContact O-CG 3.36Å; L356-E360 PolarHBondContact O-N 3.13Å
357T98.7Very high97.8Very high0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-61.7-41.3177.2-58.50000111.6V3 V132 I134 L327 I335 V353 T354 A355 V361V3-T357 HydrophobicContact CG1-CG2 3.7Å; V3-T357 HydrophobicContact CG2-CG2 4.12Å; V132-T357 HydrophobicContact CB-CG2 4.07Å; V132-T357 HydrophobicContact CG1-CG2 3.63Å; V132-T357 HydrophobicContact CG2-CG2 4.42Å; I134-T357 HydrophobicContact CD1-CG2 4.24Å; L327-T357 HydrophobicContact CD1-CG2 3.99Å; I335-T357 HydrophobicContact CD1-CG2 4.24Å; V353-T357 WeakPolarHBondContact O-CB 3.09Å; V353-T357 PolarHBondContact O-N 3.1Å; V353-T357 PolarHBondContact O-OG1 2.98Å; T354-T357 PolarHBondContact O-N 3.34Å; A355-T357 VanDerWaalsContact C-N 3.28Å; A355-T357 PolarHBondContact O-N 2.94Å; T357-V361 HydrophobicContact CG2-CG2 4.2Å; T357-V361 VanDerWaalsContact O-CB 3.28Å; T357-V361 WeakPolarHBondContact O-CB 3.37Å; T357-V361 VanDerWaalsContact O-CG2 3.23Å; T357-V361 WeakPolarHBondContact O-CG2 3.22Å; T357-V361 PolarHBondContact O-N 3.14Å
358I98.6Very high97.6Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-60.6-45.9173.4-68.6159.4000110.4L37 E40 L41 T354 A355 L356 K362 M366L37-I358 HydrophobicContact CB-CD1 4.11Å; L37-I358 HydrophobicContact CD2-CD1 4.16Å; E40-I358 HydrophobicContact CB-CD1 3.91Å; E40-I358 HydrophobicContact CB-CG1 4.4Å; E40-I358 HydrophobicContact CB-CG2 4.23Å; L41-I358 HydrophobicContact CD1-CD1 4.41Å; L41-I358 HydrophobicContact CD2-CD1 3.81Å; L41-I358 HydrophobicContact CD2-CG1 3.72Å; L41-I358 HydrophobicContact CG-CD1 4.01Å; L41-I358 HydrophobicContact CG-CG1 4.41Å; T354-I358 HydrophobicContact CG2-CD1 4.34Å; T354-I358 WeakPolarHBondContact O-CG1 3.34Å; T354-I358 PolarHBondContact O-N 3.09Å; T354-I358 VanDerWaalsContact O-N 3.11Å; A355-I358 WeakPolarHBondContact O-CB 3.13Å; A355-I358 PolarHBondContact O-N 3.27Å; A355-I358 VanDerWaalsContact O-N 3.09Å; L356-I358 VanDerWaalsContact C-N 3.32Å; L356-I358 PolarHBondContact O-N 3.39Å; I358-K362 HydrophobicContact CG2-CD 4.18Å; I358-K362 VanDerWaalsContact O-CB 3.28Å; I358-K362 WeakPolarHBondContact O-CB 3.45Å; I358-K362 PolarHBondContact O-N 3.44Å; I358-M366 HydrophobicContact CB-CG 3.85Å; I358-M366 HydrophobicContact CB-SD 4.41Å; I358-M366 HydrophobicContact CD1-SD 4.42Å; I358-M366 HydrophobicContact CG2-CE 3.86Å; I358-M366 HydrophobicContact CG2-CG 3.45Å; I358-M366 VanDerWaalsContact CG2-CG 3.45Å; I358-M366 HydrophobicContact CG2-SD 3.61Å
359E97.8Very high97.5Very high29 Ų2933.3 Ų33.314%0.13619%0.186CC..Hα-helixtrans-59.7-53.6179.2-63.8-166.3129.400112Y301 A355 L356 V361 G363 K364 K365 M366Y301-E359 PolarHBondContact OH-OE2 3.1Å; A355-E359 WeakPolarHBondContact O-CG 3.5Å; A355-E359 PolarHBondContact O-N 2.57Å; L356-E359 WeakPolarHBondContact O-CB 3.26Å; L356-E359 PolarHBondContact O-N 2.89Å; L356-E359 VanDerWaalsContact O-N 3.13Å; E359-V361 PolarHBondContact O-N 3.04Å; E359-G363 WeakPolarHBondContact O-CA 3.13Å; E359-G363 PolarHBondContact O-N 2.84Å; E359-K364 WeakPolarHBondContact CA-O 3.19Å; E359-K365 WeakPolarHBondContact OE1-CA 3.18Å; E359-M366 HydrophobicContact CG-CB 3.76Å; E359-M366 HydrophobicContact CG-CG 3.9Å; E359-M366 PolarHBondContact OE1-N 3.25Å
360E97.8Very high97.4Very high44 Ų4437.2 Ų37.221%0.20621%0.212CC..Hα-helixtrans-70.9-31.5-173-64.4-60.514500112.8K324 L327 K330 L356K324-E360 WeakPolarHBondContact CE-OE1 3.36Å; K324-E360 HydrophobicContact CG-CG 4.28Å; K324-E360 IonicContact NZ-OE1 3.06Å; K324-E360 PolarHBondContact NZ-OE1 3.43Å; L327-E360 HydrophobicContact CB-CB 4.15Å; L327-E360 HydrophobicContact CD1-CB 4.01Å; L327-E360 HydrophobicContact CD1-CG 4.48Å; K330-E360 PolarHBondContact NZ-O 3.05Å; L356-E360 HydrophobicContact CD2-CG 3.86Å; L356-E360 HydrophobicContact CG-CG 4.21Å; L356-E360 WeakPolarHBondContact O-CG 3.36Å; L356-E360 PolarHBondContact O-N 3.13Å
361V98.2Very high97.4Very high9 Ų943.4 Ų43.46%0.05524%0.241CC..Hα-helixtrans-86.7-45.5-179.9177.10000111.6M1 V3 E131 V132 L327 T357 E359M1-V361 HydrophobicContact CB-CG1 4.18Å; V3-V361 HydrophobicContact CG2-CB 3.59Å; V3-V361 HydrophobicContact CG2-CG1 3.69Å; V3-V361 HydrophobicContact CG2-CG2 3.96Å; E131-V361 HydrophobicContact CB-CG1 4.22Å; V132-V361 HydrophobicContact CB-CG2 4.29Å; V132-V361 HydrophobicContact CG2-CG2 3.53Å; L327-V361 HydrophobicContact CD2-CG2 4.45Å; T357-V361 HydrophobicContact CG2-CG2 4.2Å; T357-V361 VanDerWaalsContact O-CB 3.28Å; T357-V361 WeakPolarHBondContact O-CB 3.37Å; T357-V361 VanDerWaalsContact O-CG2 3.23Å; T357-V361 WeakPolarHBondContact O-CG2 3.22Å; T357-V361 PolarHBondContact O-N 3.14Å; E359-V361 PolarHBondContact O-N 3.04Å
362K98Very high97.4Very high64 Ų6443.7 Ų43.728%0.27824%0.242SC..Hα-helixtrans-90.4-10.6-175.9-65.4170.959.9-176.20113E40 I358 K364E40-K362 PolarHBondContact O-NZ 3.4Å; E40-K362 IonicContact OE2-NZ 3.38Å; E40-K362 PolarHBondContact OE2-NZ 3.01Å; I358-K362 HydrophobicContact CG2-CD 4.18Å; I358-K362 VanDerWaalsContact O-CB 3.28Å; I358-K362 WeakPolarHBondContact O-CB 3.45Å; I358-K362 PolarHBondContact O-N 3.44Å; K362-K364 HydrophobicContact CB-CB 4.16Å; K362-K364 PolarHBondContact O-N 3.44Å
363G96.2Very high97.4Very high73 Ų7344.2 Ų44.275%0.75325%0.249SC*.  trans62.525.6-171.800000112.3E359E359-G363 WeakPolarHBondContact O-CA 3.13Å; E359-G363 PolarHBondContact O-N 2.84Å
364K95.7Very high97.4Very high90 Ų9053 Ų5339%0.39129%0.289SS..  trans-116111.3-174.3-176.5-175.4174.41790109.3E40 E359 K362 M366E40-K364 IonicContact OE1-NZ 2.62Å; E40-K364 PolarHBondContact OE1-NZ 3.43Å; E40-K364 IonicContact OE2-NZ 2.83Å; E40-K364 PolarHBondContact OE2-NZ 3.43Å; E359-K364 WeakPolarHBondContact CA-O 3.19Å; K362-K364 HydrophobicContact CB-CB 4.16Å; K362-K364 PolarHBondContact O-N 3.44Å; K364-M366 HydrophobicContact CB-CE 4.29Å; K364-M366 HydrophobicContact CD-CE 3.56Å; K364-M366 HydrophobicContact CG-CE 3.59Å; K364-M366 PolarHBondContact O-N 3.32Å
365K94.7Very high97.3Very high131 Ų13154.6 Ų54.657%0.5730%0.297SS*.  trans-56.1127.3178.5-174.9167.3-175.8161.80111.6E359E359-K365 WeakPolarHBondContact OE1-CA 3.18Å
366M95.6Very high97.3Very high26 Ų2658.6 Ų58.613%0.12832%0.324CS..  trans-110.198.8176.9-69.1-66.3106.100108.6L37 E40 A355 I358 E359 K364 L368L37-M366 HydrophobicContact CD2-CG 4.44Å; L37-M366 HydrophobicContact CD2-SD 3.9Å; E40-M366 HydrophobicContact CG-CE 4.26Å; E40-M366 HydrophobicContact CG-SD 4.04Å; A355-M366 HydrophobicContact CB-CB 4.07Å; I358-M366 HydrophobicContact CB-CG 3.85Å; I358-M366 HydrophobicContact CB-SD 4.41Å; I358-M366 HydrophobicContact CD1-SD 4.42Å; I358-M366 HydrophobicContact CG2-CE 3.86Å; I358-M366 HydrophobicContact CG2-CG 3.45Å; I358-M366 VanDerWaalsContact CG2-CG 3.45Å; I358-M366 HydrophobicContact CG2-SD 3.61Å; E359-M366 HydrophobicContact CG-CB 3.76Å; E359-M366 HydrophobicContact CG-CG 3.9Å; E359-M366 PolarHBondContact OE1-N 3.25Å; K364-M366 HydrophobicContact CB-CE 4.29Å; K364-M366 HydrophobicContact CD-CE 3.56Å; K364-M366 HydrophobicContact CG-CE 3.59Å; K364-M366 PolarHBondContact O-N 3.32Å; M366-L368 PolarHBondContact O-N 2.82Å
367T93.9Very high97.3Very high117 Ų11761 Ų6172%0.71833%0.334SS*.  trans-85.2108.9178.8-53.10000109.3
368L96.2Very high97.3Very high34 Ų3464.1 Ų64.118%0.17835%0.347CS..  trans-89.3134.5172.5-55.4-174.3000109.4Y35 L37 T351 R352 A355 M366 L387Y35-L368 HydrophobicContact CD1-CB 4.06Å; Y35-L368 HydrophobicContact CD1-CD2 3.69Å; Y35-L368 HydrophobicContact CD1-CG 4.38Å; Y35-L368 HydrophobicContact CE1-CB 3.94Å; Y35-L368 HydrophobicContact CE1-CD2 4.41Å; Y35-L368 HydrophobicContact CG-CD2 3.96Å; L37-L368 HydrophobicContact CD1-CD2 4.42Å; L37-L368 HydrophobicContact CD2-CD2 4.11Å; T351-L368 HydrophobicContact CG2-CD1 4.45Å; R352-L368 HydrophobicContact CG-CD1 4.03Å; A355-L368 HydrophobicContact CB-CD1 3.72Å; A355-L368 HydrophobicContact CB-CD2 4.04Å; A355-L368 HydrophobicContact CB-CG 4.05Å; M366-L368 PolarHBondContact O-N 2.82Å; L368-L387 HydrophobicContact CB-CD2 3.95Å; L368-L387 HydrophobicContact CD1-CD2 3.8Å
369S96.9Very high97.3Very high53 Ų5368.7 Ų68.737%0.37138%0.38SS..  trans-59.7142.3166.7-176.90000109.9Y35 E371Y35-S369 WeakPolarHBondContact CE1-O 3.36Å; Y35-S369 PolarHBondContact OH-O 3.48Å; Y35-S369 VanDerWaalsContact OH-O 3.09Å; S369-E371 VanDerWaalsContact C-N 3.32Å; S369-E371 WeakPolarHBondContact CB-O 3.45Å; S369-E371 PolarHBondContact OG-N 3.02Å; S369-E371 PolarHBondContact OG-O 2.83Å; S369-E371 VanDerWaalsContact OG-O 3.12Å
370P96.7Very high97.4Very high82 Ų8271.7 Ų71.753%0.53239%0.39SS..SBendtrans-60.4-44.7165.4-2133.5000110.9E386 L387P370-E386 WeakPolarHBondContact CB-OE2 3.38Å; P370-E386 CarbonylContact O-C 3.54Å; P370-L387 WeakPolarHBondContact O-CB 3.49Å; P370-L387 PolarHBondContact O-N 2.94Å
371E98Very high97.4Very high131 Ų13169.6 Ų69.661%0.61238%0.38SS*.BIsolated β-bridgetrans-71.2133.7176.9-61175.1164.700111.5Y35 S369 P373Y35-E371 PolarHBondContact OH-O 3.2Å; S369-E371 VanDerWaalsContact C-N 3.32Å; S369-E371 WeakPolarHBondContact CB-O 3.45Å; S369-E371 PolarHBondContact OG-N 3.02Å; S369-E371 PolarHBondContact OG-O 2.83Å; S369-E371 VanDerWaalsContact OG-O 3.12Å; E371-P373 WeakPolarHBondContact O-CD 3.35Å
372I98.6Very high97.3Very high6 Ų670.9 Ų70.93%0.03140%0.395CS..PPolyproline II helixtrans-62.3124.6174-64.1-75000109.2L31 Y35 F378 Y381 F385 E386 L387L31-I372 HydrophobicContact CD1-CD1 3.87Å; L31-I372 HydrophobicContact CD1-CG2 3.92Å; L31-I372 HydrophobicContact CD2-CD1 4.24Å; Y35-I372 HydrophobicContact CE2-CD1 4.39Å; I372-F378 HydrophobicContact CB-CE2 4.39Å; I372-F378 HydrophobicContact CG2-CD2 3.99Å; I372-F378 HydrophobicContact CG2-CE2 4.36Å; I372-F378 VanDerWaalsContact O-CE2 3.27Å; I372-F378 WeakPolarHBondContact O-CE2 3.33Å; I372-Y381 HydrophobicContact CD1-CD1 3.86Å; I372-Y381 HydrophobicContact CD1-CE1 4.26Å; I372-Y381 HydrophobicContact CD1-CG 4.19Å; I372-Y381 HydrophobicContact CG1-CD1 4.19Å; I372-Y381 HydrophobicContact CG1-CG 4.08Å; I372-Y381 HydrophobicContact CG2-CD2 3.89Å; I372-Y381 HydrophobicContact CG2-CE2 4.4Å; I372-Y381 HydrophobicContact CG2-CG 4.01Å; I372-F385 VanDerWaalsContact CB-O 3.29Å; I372-F385 WeakPolarHBondContact CB-O 3.2Å; I372-F385 VanDerWaalsContact CG1-O 3.22Å; I372-F385 WeakPolarHBondContact CG1-O 2.89Å; I372-F385 PolarHBondContact N-O 2.92Å; I372-E386 WeakPolarHBondContact CG1-O 3.27Å; I372-L387 HydrophobicContact CD1-CB 4.32Å; I372-L387 HydrophobicContact CD1-CD1 4.08Å
373P98.6Very high97.3Very high34 Ų3472.7 Ų72.722%0.22141%0.413CS..PPolyproline II helixtrans-67.2149.1178.4-18.629.5000112.2A34 Y35 E371 H375A34-P373 HydrophobicContact CB-CB 4.14Å; A34-P373 HydrophobicContact CB-CG 4.4Å; Y35-P373 HydrophobicContact CD1-CG 3.87Å; Y35-P373 HydrophobicContact CD2-CG 4.31Å; Y35-P373 HydrophobicContact CE1-CG 3.79Å; Y35-P373 HydrophobicContact CE2-CG 4.26Å; Y35-P373 HydrophobicContact CG-CG 4.14Å; E371-P373 WeakPolarHBondContact O-CD 3.35Å; P373-H375 PolarHBondContact O-N 2.82Å; P373-H375 PolarHBondContact O-ND1 3Å
374E98.2Very high97.4Very high183 Ų18373.5 Ų73.586%0.85540%0.4SS*.PPolyproline II helixtrans-61128.6175.1-168.6173.2-147.400111.4
375H98.7Very high97.5Very high35 Ų3572.4 Ų72.416%0.16240%0.396CS..SBendtrans-165-179.9178.669.2-69.1000110.7A34 P373 Y377 F378 Y381A34-H375 HydrophobicContact CB-CB 3.9Å; P373-H375 PolarHBondContact O-N 2.82Å; P373-H375 PolarHBondContact O-ND1 3Å; H375-Y377 PolarHBondContact CD2-N 3.32Å; H375-Y377 VanDerWaalsContact CD2-N 3.34Å; H375-Y377 PolarHBondContact O-N 3.48Å; H375-Y377 VanDerWaalsContact O-N 3.14Å; H375-F378 VanDerWaalsContact O-CB 3.3Å; H375-F378 WeakPolarHBondContact O-CB 3.41Å; H375-F378 PolarHBondContact O-N 2.84Å; H375-F378 VanDerWaalsContact O-N 3.08Å; H375-Y381 AromaticContact CE1-CD2 3.95Å; H375-Y381 AromaticContact CE1-CE2 3.48Å; H375-Y381 VanDerWaalsContact CE1-CE2 3.48Å; H375-Y381 WeakPolarHBondContact CE1-CE2 3.33Å; H375-Y381 AromaticContact NE2-CE2 3.56Å
376S98.1Very high97.7Very high87 Ų8769.5 Ų69.561%0.60838%0.384SS*.THydrogen-bonded Turntrans-50.9-35.8-177.645.60000115.2D30D30-S376 PolarHBondContact OD2-OG 3.25Å
377Y98.6Very high97.8Very high52 Ų5268.3 Ų68.320%0.20438%0.378CS..THydrogen-bonded Turntrans-106.113.5-177.5-67.5-73.5000113.7D23 A26 L27 D30 H375 S379 R380 Y381D23-Y377 WeakPolarHBondContact OD2-CE1 3.43Å; A26-Y377 HydrophobicContact CB-CE2 3.98Å; A26-Y377 WeakPolarHBondContact CB-OH 3.41Å; L27-Y377 HydrophobicContact CD1-CD1 3.39Å; L27-Y377 HydrophobicContact CD1-CD2 4.01Å; L27-Y377 HydrophobicContact CD1-CE1 3.46Å; L27-Y377 VanDerWaalsContact CD1-CE1 3.46Å; L27-Y377 HydrophobicContact CD1-CE2 4.08Å; L27-Y377 HydrophobicContact CD1-CG 3.66Å; L27-Y377 HydrophobicContact CG-CD1 4.11Å; L27-Y377 HydrophobicContact CG-CD2 4.35Å; L27-Y377 HydrophobicContact CG-CG 3.96Å; D30-Y377 HydrophobicContact CB-CD2 3.97Å; D30-Y377 HydrophobicContact CB-CE2 4.41Å; D30-Y377 WeakPolarHBondContact OD2-CD2 3.42Å; D30-Y377 WeakPolarHBondContact OD2-CE2 3.4Å; H375-Y377 PolarHBondContact CD2-N 3.32Å; H375-Y377 VanDerWaalsContact CD2-N 3.34Å; H375-Y377 PolarHBondContact O-N 3.48Å; H375-Y377 VanDerWaalsContact O-N 3.14Å; Y377-S379 PolarHBondContact O-N 3.46Å; Y377-S379 VanDerWaalsContact O-N 3.09Å; Y377-R380 HydrophobicContact CD1-CG 4.1Å; Y377-R380 VanDerWaalsContact O-CB 3.24Å; Y377-R380 WeakPolarHBondContact O-CB 3.44Å; Y377-R380 WeakPolarHBondContact O-CG 3.39Å; Y377-R380 PolarHBondContact O-N 3.29Å; Y377-Y381 WeakPolarHBondContact O-CD2 3.37Å; Y377-Y381 WeakPolarHBondContact O-CE2 3.46Å
378F98.7Very high98Very high66 Ų6665.8 Ų65.829%0.28936%0.36SS..G310 helixtrans-49.5-41.7-176.6178-100000113.5I372 H375 R380 Y381 F385I372-F378 HydrophobicContact CB-CE2 4.39Å; I372-F378 HydrophobicContact CG2-CD2 3.99Å; I372-F378 HydrophobicContact CG2-CE2 4.36Å; I372-F378 VanDerWaalsContact O-CE2 3.27Å; I372-F378 WeakPolarHBondContact O-CE2 3.33Å; H375-F378 VanDerWaalsContact O-CB 3.3Å; H375-F378 WeakPolarHBondContact O-CB 3.41Å; H375-F378 PolarHBondContact O-N 2.84Å; H375-F378 VanDerWaalsContact O-N 3.08Å; F378-R380 PolarHBondContact O-N 3.33Å; F378-R380 VanDerWaalsContact O-N 3.09Å; F378-Y381 PolarHBondContact O-N 3.17Å; F378-Y381 VanDerWaalsContact O-N 3.14Å; F378-F385 HydrophobicContact CD1-CD1 4.03Å; F378-F385 AromaticContact CD1-CE1 3.97Å; F378-F385 HydrophobicContact CD1-CE1 3.97Å; F378-F385 HydrophobicContact CD2-CD1 4.33Å; F378-F385 AromaticContact CE1-CD1 3.46Å; F378-F385 HydrophobicContact CE1-CD1 3.46Å; F378-F385 VanDerWaalsContact CE1-CD1 3.46Å; F378-F385 AromaticContact CE1-CE1 3.54Å; F378-F385 HydrophobicContact CE1-CE1 3.54Å; F378-F385 HydrophobicContact CE1-CG 4.08Å; F378-F385 HydrophobicContact CE1-CZ 4.22Å; F378-F385 HydrophobicContact CE2-CB 4.04Å; F378-F385 AromaticContact CE2-CD1 3.79Å; F378-F385 HydrophobicContact CE2-CD1 3.79Å; F378-F385 HydrophobicContact CE2-CG 4.16Å; F378-F385 HydrophobicContact CG-CD1 4.43Å; F378-F385 HydrophobicContact CZ-CB 3.87Å; F378-F385 AromaticContact CZ-CD1 3.32Å; F378-F385 HydrophobicContact CZ-CD1 3.32Å; F378-F385 HydrophobicContact CZ-CD2 4.39Å; F378-F385 AromaticContact CZ-CE1 3.92Å; F378-F385 HydrophobicContact CZ-CE1 3.92Å; F378-F385 AromaticContact CZ-CG 3.6Å; F378-F385 HydrophobicContact CZ-CG 3.6Å
379S98.4Very high98Very high97 Ų9764.4 Ų64.468%0.67835%0.353SS*.G310 helixtrans-62.3-17.6179.359.60000114.9Y377 Y381Y377-S379 PolarHBondContact O-N 3.46Å; Y377-S379 VanDerWaalsContact O-N 3.09Å; S379-Y381 PolarHBondContact O-N 3.47Å
380R98.7Very high98Very high92 Ų9267.7 Ų67.735%0.34737%0.367SS..G310 helixtrans-75.4-11.5178.3-59.2-66.5-64.5-80.8-2.1113.2D23 L27 P344 Y377 F378D23-R380 IonicContact OD1-CZ 3.54Å; D23-R380 IonicContact OD1-NH1 2.73Å; D23-R380 PolarHBondContact OD1-NH1 2.98Å; D23-R380 IonicContact OD1-NH2 2.68Å; D23-R380 IonicContact OD2-NH1 3.78Å; D23-R380 PolarHBondContact OD2-NH1 2.91Å; L27-R380 HydrophobicContact CD2-CB 4.17Å; L27-R380 HydrophobicContact CD2-CG 4.3Å; P344-R380 HydrophobicContact CG-CB 4.35Å; P344-R380 VanDerWaalsContact CG-O 3.23Å; P344-R380 WeakPolarHBondContact CG-O 3.38Å; Y377-R380 HydrophobicContact CD1-CG 4.1Å; Y377-R380 VanDerWaalsContact O-CB 3.24Å; Y377-R380 WeakPolarHBondContact O-CB 3.44Å; Y377-R380 WeakPolarHBondContact O-CG 3.39Å; Y377-R380 PolarHBondContact O-N 3.29Å; F378-R380 PolarHBondContact O-N 3.33Å; F378-R380 VanDerWaalsContact O-N 3.09Å
381Y98.8Very high97.9Very high0 Ų065.8 Ų65.80%035%0.349CS..G310 helixtrans-101.84.6-175.2-62.1-85.2000113.8L31 P344 A347 R348 I372 H375 Y377 F378 S379 F385L31-Y381 HydrophobicContact CD1-CE1 4.42Å; L31-Y381 HydrophobicContact CD1-CE2 4.34Å; L31-Y381 HydrophobicContact CD2-CE1 3.78Å; P344-Y381 HydrophobicContact CB-CD1 4.03Å; P344-Y381 HydrophobicContact CB-CE1 4.02Å; A347-Y381 HydrophobicContact CB-CE1 4.39Å; A347-Y381 WeakPolarHBondContact CB-OH 3.25Å; R348-Y381 HydrophobicContact CG-CD1 4.29Å; R348-Y381 HydrophobicContact CG-CE1 4.23Å; R348-Y381 PolarHBondContact NH2-O 3.21Å; I372-Y381 HydrophobicContact CD1-CD1 3.86Å; I372-Y381 HydrophobicContact CD1-CE1 4.26Å; I372-Y381 HydrophobicContact CD1-CG 4.19Å; I372-Y381 HydrophobicContact CG1-CD1 4.19Å; I372-Y381 HydrophobicContact CG1-CG 4.08Å; I372-Y381 HydrophobicContact CG2-CD2 3.89Å; I372-Y381 HydrophobicContact CG2-CE2 4.4Å; I372-Y381 HydrophobicContact CG2-CG 4.01Å; H375-Y381 AromaticContact CE1-CD2 3.95Å; H375-Y381 AromaticContact CE1-CE2 3.48Å; H375-Y381 VanDerWaalsContact CE1-CE2 3.48Å; H375-Y381 WeakPolarHBondContact CE1-CE2 3.33Å; H375-Y381 AromaticContact NE2-CE2 3.56Å; Y377-Y381 WeakPolarHBondContact O-CD2 3.37Å; Y377-Y381 WeakPolarHBondContact O-CE2 3.46Å; F378-Y381 PolarHBondContact O-N 3.17Å; F378-Y381 VanDerWaalsContact O-N 3.14Å; S379-Y381 PolarHBondContact O-N 3.47Å; Y381-F385 WeakPolarHBondContact O-CA 3.11Å; Y381-F385 PolarHBondContact O-N 3.11Å; Y381-F385 VanDerWaalsContact O-N 3.13Å
382G96.5Very high97.7Very high36 Ų3666 Ų6637%0.37135%0.348SS..THydrogen-bonded Turntrans-66.2164.4174.800000113.3
383P97.9Very high97.1Very high102 Ų10266.9 Ų66.966%0.66235%0.354SS*.THydrogen-bonded Turncis-81.5-217.831.9-34.2000114.7F385P383-F385 WeakPolarHBondContact O-CD2 3.09Å; P383-F385 WeakPolarHBondContact O-CE2 3.39Å
384D97.5Very high96.2Very high89 Ų8969.6 Ų69.648%0.47636%0.364SS..THydrogen-bonded Turntrans-92.8-21.8-167.9-50.8-48.8000113.6E386D384-E386 HydrophobicContact CB-CG 4.18Å; D384-E386 PolarHBondContact O-N 3.25Å
385F98.2Very high95Very high68 Ų6868.5 Ų68.530%0.29836%0.359SS..  trans57.729.1-178.2-50.9-84.4000113.5I372 F378 Y381 P383I372-F385 VanDerWaalsContact CB-O 3.29Å; I372-F385 WeakPolarHBondContact CB-O 3.2Å; I372-F385 VanDerWaalsContact CG1-O 3.22Å; I372-F385 WeakPolarHBondContact CG1-O 2.89Å; I372-F385 PolarHBondContact N-O 2.92Å; F378-F385 HydrophobicContact CD1-CD1 4.03Å; F378-F385 AromaticContact CD1-CE1 3.97Å; F378-F385 HydrophobicContact CD1-CE1 3.97Å; F378-F385 HydrophobicContact CD2-CD1 4.33Å; F378-F385 AromaticContact CE1-CD1 3.46Å; F378-F385 HydrophobicContact CE1-CD1 3.46Å; F378-F385 VanDerWaalsContact CE1-CD1 3.46Å; F378-F385 AromaticContact CE1-CE1 3.54Å; F378-F385 HydrophobicContact CE1-CE1 3.54Å; F378-F385 HydrophobicContact CE1-CG 4.08Å; F378-F385 HydrophobicContact CE1-CZ 4.22Å; F378-F385 HydrophobicContact CE2-CB 4.04Å; F378-F385 AromaticContact CE2-CD1 3.79Å; F378-F385 HydrophobicContact CE2-CD1 3.79Å; F378-F385 HydrophobicContact CE2-CG 4.16Å; F378-F385 HydrophobicContact CG-CD1 4.43Å; F378-F385 HydrophobicContact CZ-CB 3.87Å; F378-F385 AromaticContact CZ-CD1 3.32Å; F378-F385 HydrophobicContact CZ-CD1 3.32Å; F378-F385 HydrophobicContact CZ-CD2 4.39Å; F378-F385 AromaticContact CZ-CE1 3.92Å; F378-F385 HydrophobicContact CZ-CE1 3.92Å; F378-F385 AromaticContact CZ-CG 3.6Å; F378-F385 HydrophobicContact CZ-CG 3.6Å; Y381-F385 WeakPolarHBondContact O-CA 3.11Å; Y381-F385 PolarHBondContact O-N 3.11Å; Y381-F385 VanDerWaalsContact O-N 3.13Å; P383-F385 WeakPolarHBondContact O-CD2 3.09Å; P383-F385 WeakPolarHBondContact O-CE2 3.39Å
386E98.2Very high93.4Very high70 Ų7067.5 Ų67.533%0.32736%0.356SS..BIsolated β-bridgetrans-94.3153.6175.4-67.5-67.416800111.7R348 P370 I372 D384R348-E386 PolarHBondContact NE-O 2.93Å; R348-E386 PolarHBondContact NH2-O 2.73Å; P370-E386 WeakPolarHBondContact CB-OE2 3.38Å; P370-E386 CarbonylContact O-C 3.54Å; I372-E386 WeakPolarHBondContact CG1-O 3.27Å; D384-E386 HydrophobicContact CB-CG 4.18Å; D384-E386 PolarHBondContact O-N 3.25Å
387L98.2Very high91.5Very high1 Ų171.2 Ų71.21%0.00536%0.363CS..SBendtrans-75.4-33.7175-176.358.7000112L31 Y35 N299 R348 R352 L368 P370 I372L31-L387 HydrophobicContact CD2-CD1 4.47Å; Y35-L387 HydrophobicContact CE1-CD2 4.4Å; Y35-L387 HydrophobicContact CE2-CD1 3.88Å; Y35-L387 HydrophobicContact CE2-CD2 4.36Å; Y35-L387 WeakPolarHBondContact OH-CB 3.42Å; N299-L387 PolarHBondContact ND2-O 2.87Å; R348-L387 HydrophobicContact CB-CD1 4.24Å; R348-L387 WeakPolarHBondContact CB-O 3.29Å; R348-L387 VanDerWaalsContact CD-O 3.3Å; R348-L387 WeakPolarHBondContact CD-O 3.38Å; R348-L387 HydrophobicContact CG-CD1 4.25Å; R348-L387 WeakPolarHBondContact CG-O 3.5Å; R352-L387 HydrophobicContact CG-CD2 4.01Å; R352-L387 HydrophobicContact CG-CG 4.39Å; L368-L387 HydrophobicContact CB-CD2 3.95Å; L368-L387 HydrophobicContact CD1-CD2 3.8Å; P370-L387 WeakPolarHBondContact O-CB 3.49Å; P370-L387 PolarHBondContact O-N 2.94Å; I372-L387 HydrophobicContact CD1-CB 4.32Å; I372-L387 HydrophobicContact CD1-CD1 4.08Å
388D97.3Very high89.6Confident63 Ų6371 Ų7134%0.33737%0.366SS..SBendtrans-60.3141168.8-77.1-31.2000109.5F300 R352F300-D388 HydrophobicContact CD1-CB 4.08Å; F300-D388 VanDerWaalsContact CD1-OD1 3.3Å; F300-D388 WeakPolarHBondContact CD1-OD1 3.48Å; F300-D388 HydrophobicContact CE1-CB 3.76Å; R352-D388 IonicContact CZ-OD1 3.47Å; R352-D388 IonicContact NH1-OD1 3.85Å; R352-D388 PolarHBondContact NH1-OD1 2.92Å; R352-D388 IonicContact NH2-OD1 3.9Å; R352-D388 PolarHBondContact NH2-OD1 3.46Å; R352-D388 IonicContact NH2-OD2 3.61Å
389I97.8Very high87.5Confident5 Ų578 Ų783%0.02640%0.396CS..  trans-65.8146.7169.361.1168.5000109.5L287 T289 T298 N299 F300 D345 Y391L287-I389 HydrophobicContact CD2-CD1 4.37Å; T289-I389 HydrophobicContact CG2-CB 4.25Å; T289-I389 HydrophobicContact CG2-CD1 4.14Å; T298-I389 HydrophobicContact CG2-CD1 4.23Å; N299-I389 PolarHBondContact OD1-N 3.39Å; F300-I389 HydrophobicContact CE1-CG1 3.93Å; D345-I389 HydrophobicContact CB-CG2 3.84Å; I389-Y391 VanDerWaalsContact C-N 3.28Å; I389-Y391 PolarHBondContact O-N 3.23Å
390D96.8Very high85.8Confident123 Ų12374 Ų7466%0.65837%0.367SS*.SBendtrans-75.682.6175.2179.523.6000110
391Y95.1Very high84.6Confident41 Ų4174.7 Ų74.716%0.16138%0.377CS..  trans-150.1136.7178.9-178.8-112.2000110.7A288 R296 T298 F300 I389 P393 H394A288-Y391 HydrophobicContact CB-CD1 3.57Å; A288-Y391 HydrophobicContact CB-CD2 3.6Å; A288-Y391 HydrophobicContact CB-CE1 3.61Å; A288-Y391 HydrophobicContact CB-CE2 3.68Å; A288-Y391 HydrophobicContact CB-CG 3.56Å; R296-Y391 HydrophobicContact CB-CE1 4.44Å; R296-Y391 WeakPolarHBondContact CD-OH 3.43Å; T298-Y391 HydrophobicContact CG2-CD1 3.94Å; T298-Y391 HydrophobicContact CG2-CE1 4.45Å; F300-Y391 WeakPolarHBondContact CZ-O 3.35Å; I389-Y391 VanDerWaalsContact C-N 3.28Å; I389-Y391 PolarHBondContact O-N 3.23Å; Y391-P393 HydrophobicContact CD1-CG 4.09Å; Y391-P393 HydrophobicContact CE1-CB 4.17Å; Y391-P393 HydrophobicContact CE1-CG 4.11Å; Y391-P393 WeakPolarHBondContact O-CD 3.24Å; Y391-H394 PolarHBondContact OH-CE1 3.46Å
392F92.4Very high83.6Confident137 Ų13780 Ų8060%0.60141%0.406SS*.  trans-105.1106.3171.6-173.2-97.5000109.4E313 H394E313-F392 WeakPolarHBondContact OE2-CZ 3.41Å; F392-H394 PolarHBondContact O-N 3.18Å; F392-H394 PolarHBondContact O-ND1 3.17Å
393P86.1Confident83Confident24 Ų2480.4 Ų80.416%0.15640%0.403CS..  trans-57.8134.9176.6-2333.7000111T298 F300 Y391T298-P393 HydrophobicContact CG2-CG 4.22Å; F300-P393 HydrophobicContact CD2-CG 4.32Å; F300-P393 HydrophobicContact CE2-CG 3.65Å; Y391-P393 HydrophobicContact CD1-CG 4.09Å; Y391-P393 HydrophobicContact CE1-CB 4.17Å; Y391-P393 HydrophobicContact CE1-CG 4.11Å; Y391-P393 WeakPolarHBondContact O-CD 3.24Å
394H80.1Confident82.4Confident91 Ų9176 Ų7642%0.42137%0.374SS..  trans-134.5156.4172.852.5-82.6000108.7R296 Y391 F392 S396R296-H394 PolarHBondContact NH1-CD2 3.28Å; R296-H394 VanDerWaalsContact NH1-CD2 3.32Å; R296-H394 PolarHBondContact NH1-NE2 3.31Å; Y391-H394 PolarHBondContact OH-CE1 3.46Å; F392-H394 PolarHBondContact O-N 3.18Å; F392-H394 PolarHBondContact O-ND1 3.17Å; H394-S396 PolarHBondContact O-N 3.29Å
395E72.7Confident82.1Confident159 Ų15974 Ų7474%0.74336%0.362SS*.  trans-51.4137.8-172.4-85.7-141.1161.100112.7H397E395-H397 PolarHBondContact O-N 3.22Å
396S66.4Low81.8Confident15 Ų1577.3 Ų77.311%0.10538%0.376CS..  trans-68119168166.40000107.6N254 D257 H394 N398N254-S396 WeakPolarHBondContact ND2-CB 3.42Å; D257-S396 WeakPolarHBondContact OD2-CB 3.4Å; D257-S396 PolarHBondContact OD2-OG 3.44Å; H394-S396 PolarHBondContact O-N 3.29Å; S396-N398 PolarHBondContact O-N 3.05Å; S396-N398 WeakPolarHBondContact OG-CB 3.4Å; S396-N398 PolarHBondContact OG-N 3.12Å
397H57.6Low81.6Confident165 Ų16574.6 Ų74.676%0.76436%0.363SS*.  trans-76.63.8172.4-69.3-39.5000112.8E395 K399E395-H397 PolarHBondContact O-N 3.22Å; H397-K399 PolarHBondContact O-N 2.8Å
398N57.8Low81.4Confident47 Ų4774.8 Ų74.825%0.25136%0.364SS..  trans-77.7117.7-178-78.3-10.6000111.2E251 S396 T400E251-N398 PolarHBondContact O-ND2 3.02Å; S396-N398 PolarHBondContact O-N 3.05Å; S396-N398 WeakPolarHBondContact OG-CB 3.4Å; S396-N398 PolarHBondContact OG-N 3.12Å; N398-T400 HydrophobicContact CB-CG2 3.69Å; N398-T400 WeakPolarHBondContact CB-OG1 3.09Å; N398-T400 PolarHBondContact O-N 3.35Å; N398-T400 PolarHBondContact O-OG1 3.06Å
399K55.9Low81.3Confident212 Ų21278.7 Ų78.792%0.92237%0.374SS*.  trans-7547.3166.7-64.8-176.6178.1-179.80111.1H397H397-K399 PolarHBondContact O-N 2.8Å
400T61.5Low81.2Confident14 Ų1480.7 Ų80.79%0.08638%0.381CS..  trans-88.7-9.3-166.935.70000115E250 N398 D402 S403 I404E250-T400 HydrophobicContact CB-CG2 4.39Å; E250-T400 HydrophobicContact CG-CG2 4.49Å; N398-T400 HydrophobicContact CB-CG2 3.69Å; N398-T400 WeakPolarHBondContact CB-OG1 3.09Å; N398-T400 PolarHBondContact O-N 3.35Å; N398-T400 PolarHBondContact O-OG1 3.06Å; T400-D402 VanDerWaalsContact C-N 3.3Å; T400-D402 PolarHBondContact O-N 3.28Å; T400-S403 WeakPolarHBondContact O-CA 3.45Å; T400-S403 WeakPolarHBondContact O-CB 3Å; T400-S403 PolarHBondContact O-N 2.61Å; T400-I404 WeakPolarHBondContact O-CG1 3.4Å; T400-I404 PolarHBondContact O-N 2.73Å
401L73.2Confident81.2Confident106 Ų10674.8 Ų74.856%0.55535%0.35SS*.Hα-helixtrans-52.6-45.8-178.9-102.5153.9000112.5S403 I404 Q405 M440L401-S403 VanDerWaalsContact C-N 3.33Å; L401-S403 PolarHBondContact O-N 2.88Å; L401-I404 PolarHBondContact O-N 3.24Å; L401-Q405 WeakPolarHBondContact O-CB 3.5Å; L401-Q405 VanDerWaalsContact O-CG 3.31Å; L401-Q405 WeakPolarHBondContact O-CG 3.45Å; L401-Q405 PolarHBondContact O-N 3.04Å; L401-M440 HydrophobicContact CD2-CE 4.5Å
402D79.1Confident81.2Confident111 Ų11174 Ų7459%0.59435%0.348SS*.Hα-helixtrans-64.4-35.7177.4-77.52.9000113T400 K406T400-D402 VanDerWaalsContact C-N 3.3Å; T400-D402 PolarHBondContact O-N 3.28Å; D402-K406 WeakPolarHBondContact O-CG 3.27Å; D402-K406 PolarHBondContact O-N 3.23Å
403S83.5Confident81.4Confident45 Ų4571.6 Ų71.632%0.31534%0.339SS..Hα-helixtrans-67.1-49.7176.7-173.30000110T400 L401 Q405 K406 H407T400-S403 WeakPolarHBondContact O-CA 3.45Å; T400-S403 WeakPolarHBondContact O-CB 3Å; T400-S403 PolarHBondContact O-N 2.61Å; L401-S403 VanDerWaalsContact C-N 3.33Å; L401-S403 PolarHBondContact O-N 2.88Å; S403-Q405 VanDerWaalsContact C-N 3.33Å; S403-Q405 PolarHBondContact O-N 3.08Å; S403-K406 WeakPolarHBondContact O-CB 3.2Å; S403-K406 PolarHBondContact O-N 3.37Å; S403-H407 PolarHBondContact O-CD2 3.42Å; S403-H407 PolarHBondContact O-N 3.21Å
404I86.3Confident81.9Confident11 Ų1170.9 Ų70.96%0.05633%0.333CS..Hα-helixtrans-61.2-42179.5-62.1166.5000110.3L249 A261 T400 L401 K406 H407 H408 M440L249-I404 HydrophobicContact CD2-CG1 4.15Å; A261-I404 HydrophobicContact CB-CD1 4.13Å; A261-I404 HydrophobicContact CB-CG2 3.86Å; T400-I404 WeakPolarHBondContact O-CG1 3.4Å; T400-I404 PolarHBondContact O-N 2.73Å; L401-I404 PolarHBondContact O-N 3.24Å; I404-K406 VanDerWaalsContact C-N 3.31Å; I404-K406 PolarHBondContact O-N 3.38Å; I404-H407 CarbonylContact O-C 3.48Å; I404-H407 WeakPolarHBondContact O-CA 3.41Å; I404-H407 PolarHBondContact O-N 2.86Å; I404-H407 VanDerWaalsContact O-N 3.07Å; I404-H408 WeakPolarHBondContact CG2-NE2 3.32Å; I404-H408 WeakPolarHBondContact O-CB 3.47Å; I404-H408 PolarHBondContact O-CD2 3.38Å; I404-H408 PolarHBondContact O-N 2.71Å; I404-M440 HydrophobicContact CB-CE 4.36Å; I404-M440 HydrophobicContact CG2-CE 3.9Å
405Q90.1Very high82.8Confident46 Ų4666.6 Ų66.622%0.21531%0.313CS..Hα-helixtrans-58.6-38.2174-75.5180-4.600113.3L401 S403 H408 R409 M440L401-Q405 WeakPolarHBondContact O-CB 3.5Å; L401-Q405 VanDerWaalsContact O-CG 3.31Å; L401-Q405 WeakPolarHBondContact O-CG 3.45Å; L401-Q405 PolarHBondContact O-N 3.04Å; S403-Q405 VanDerWaalsContact C-N 3.33Å; S403-Q405 PolarHBondContact O-N 3.08Å; Q405-H408 PolarHBondContact O-N 3.22Å; Q405-R409 PolarHBondContact O-N 3.4Å; Q405-R409 VanDerWaalsContact O-N 3.08Å; Q405-M440 HydrophobicContact CB-CE 4.05Å; Q405-M440 HydrophobicContact CG-CB 4.25Å; Q405-M440 HydrophobicContact CG-CE 3.22Å; Q405-M440 HydrophobicContact CG-CG 3.92Å; Q405-M440 HydrophobicContact CG-SD 4.4Å
406K92.3Very high83.9Confident137 Ų13764.2 Ų64.260%0.59630%0.298SS*.Hα-helixtrans-66.9-41.5173.9-71.4171.6-176.1172.20111.2D402 S403 I404 R409 R410D402-K406 WeakPolarHBondContact O-CG 3.27Å; D402-K406 PolarHBondContact O-N 3.23Å; S403-K406 WeakPolarHBondContact O-CB 3.2Å; S403-K406 PolarHBondContact O-N 3.37Å; I404-K406 VanDerWaalsContact C-N 3.31Å; I404-K406 PolarHBondContact O-N 3.38Å; K406-R409 PolarHBondContact O-N 3.5Å; K406-R410 WeakPolarHBondContact O-CB 3.13Å; K406-R410 PolarHBondContact O-N 2.81Å
407H94.4Very high85.4Confident14 Ų1465.8 Ų65.87%0.06531%0.305CS..Hα-helixtrans-64.6-39.5174.9-75.8-79.4000112.2F233 L247 S403 I404 R410 I411F233-H407 AromaticContact CE2-CE1 3.84Å; F233-H407 AromaticContact CZ-CE1 3.73Å; L247-H407 HydrophobicContact CD1-CB 3.49Å; L247-H407 VanDerWaalsContact CD1-CB 3.49Å; S403-H407 PolarHBondContact O-CD2 3.42Å; S403-H407 PolarHBondContact O-N 3.21Å; I404-H407 CarbonylContact O-C 3.48Å; I404-H407 WeakPolarHBondContact O-CA 3.41Å; I404-H407 PolarHBondContact O-N 2.86Å; I404-H407 VanDerWaalsContact O-N 3.07Å; H407-R410 PolarHBondContact ND1-NH2 3.27Å; H407-R410 VanDerWaalsContact ND1-NH2 3.17Å; H407-R410 PolarHBondContact O-N 3.3Å; H407-I411 WeakPolarHBondContact O-CB 3.21Å; H407-I411 VanDerWaalsContact O-CG1 3.29Å; H407-I411 WeakPolarHBondContact O-CG1 3.39Å; H407-I411 PolarHBondContact O-N 3.03Å
408H94.2Very high87.4Confident4 Ų458 Ų582%0.01927%0.269CS..Hα-helixtrans-57.8-51.9174.1-76.1-168.9000111.9A261 I404 Q405 R410 I411 L412 Y435 M440A261-H408 PolarHBondContact O-NE2 3.2Å; I404-H408 WeakPolarHBondContact CG2-NE2 3.32Å; I404-H408 WeakPolarHBondContact O-CB 3.47Å; I404-H408 PolarHBondContact O-CD2 3.38Å; I404-H408 PolarHBondContact O-N 2.71Å; Q405-H408 PolarHBondContact O-N 3.22Å; H408-R410 VanDerWaalsContact C-N 3.33Å; H408-R410 PolarHBondContact O-N 2.76Å; H408-I411 PolarHBondContact O-N 2.88Å; H408-L412 VanDerWaalsContact O-CB 3.32Å; H408-L412 WeakPolarHBondContact O-CB 3.15Å; H408-L412 PolarHBondContact O-N 3Å; H408-Y435 HydrophobicContact CB-CD1 3.82Å; H408-Y435 HydrophobicContact CB-CE1 3.52Å; H408-Y435 AromaticContact CD2-CE1 3.94Å; H408-Y435 AromaticContact CE1-CE1 3.96Å; H408-Y435 AromaticContact CG-CD1 3.78Å; H408-Y435 AromaticContact CG-CE1 3.41Å; H408-Y435 VanDerWaalsContact CG-CE1 3.41Å; H408-Y435 AromaticContact ND1-CD1 3.41Å; H408-Y435 WeakPolarHBondContact ND1-CD1 3.47Å; H408-Y435 AromaticContact ND1-CE1 3.44Å; H408-Y435 WeakPolarHBondContact ND1-CE1 3.41Å; H408-M440 WeakPolarHBondContact CE1-CE 3.5Å; H408-M440 VanDerWaalsContact CE1-SD 3.55Å; H408-M440 WeakPolarHBondContact ND1-CE 3.34Å; H408-M440 PolarHBondContact ND1-SD 3.41Å
409R93.8Very high89.3Confident146 Ų14655.8 Ų55.855%0.55126%0.257SS*.Hα-helixtrans-58.9-43176.1-75.1-176.6-70.8-143.2-6.4112.4Q405 K406 E413Q405-R409 PolarHBondContact O-N 3.4Å; Q405-R409 VanDerWaalsContact O-N 3.08Å; K406-R409 PolarHBondContact O-N 3.5Å; R409-E413 WeakPolarHBondContact O-CB 3.48Å; R409-E413 PolarHBondContact O-N 3.21Å
410R95.8Very high91.2Very high46 Ų4650.1 Ų50.117%0.17424%0.237CC..Hα-helixtrans-61.7-46.4176.7178.8-171.860.6855.7111.7F233 N246 K406 H407 H408 E413 Q414F233-R410 VanDerWaalsContact CG-NH1 3.28Å; N246-R410 PolarHBondContact O-NH2 3.32Å; K406-R410 WeakPolarHBondContact O-CB 3.13Å; K406-R410 PolarHBondContact O-N 2.81Å; H407-R410 PolarHBondContact ND1-NH2 3.27Å; H407-R410 VanDerWaalsContact ND1-NH2 3.17Å; H407-R410 PolarHBondContact O-N 3.3Å; H408-R410 VanDerWaalsContact C-N 3.33Å; H408-R410 PolarHBondContact O-N 2.76Å; R410-E413 PolarHBondContact O-N 3.11Å; R410-Q414 WeakPolarHBondContact O-CB 3.43Å; R410-Q414 PolarHBondContact O-N 3.21Å
411I96.7Very high92.9Very high0 Ų053.5 Ų53.50%025%0.254CS..Hα-helixtrans-67.7-40.7-178.9-74.2170.6000110.8F245 L247 I265 H407 H408 E413 Q414 L415F245-I411 HydrophobicContact CD1-CG2 3.98Å; F245-I411 HydrophobicContact CE1-CG2 4.37Å; L247-I411 HydrophobicContact CB-CD1 4.27Å; L247-I411 HydrophobicContact CD1-CD1 4.14Å; I265-I411 HydrophobicContact CD1-CD1 3.58Å; I265-I411 HydrophobicContact CD1-CG2 4.5Å; I265-I411 HydrophobicContact CG1-CD1 4.33Å; I265-I411 HydrophobicContact CG1-CG2 4.11Å; I265-I411 HydrophobicContact CG2-CG2 3.98Å; H407-I411 WeakPolarHBondContact O-CB 3.21Å; H407-I411 VanDerWaalsContact O-CG1 3.29Å; H407-I411 WeakPolarHBondContact O-CG1 3.39Å; H407-I411 PolarHBondContact O-N 3.03Å; H408-I411 PolarHBondContact O-N 2.88Å; I411-E413 PolarHBondContact O-N 3.27Å; I411-Q414 PolarHBondContact O-N 3.1Å; I411-L415 WeakPolarHBondContact O-CB 3.48Å; I411-L415 PolarHBondContact O-N 3.27Å
412L95.2Very high94Very high23 Ų2350.7 Ų50.712%0.1224%0.24CC..Hα-helixtrans-62.2-43.6176-176.263000111.6H408 L415 R416 V431 Y435H408-L412 VanDerWaalsContact O-CB 3.32Å; H408-L412 WeakPolarHBondContact O-CB 3.15Å; H408-L412 PolarHBondContact O-N 3Å; L412-L415 PolarHBondContact O-N 2.67Å; L412-R416 PolarHBondContact O-N 3.13Å; L412-V431 HydrophobicContact CD1-CG1 3.37Å; L412-Y435 HydrophobicContact CD1-CE2 4.26Å
413E96.3Very high94.8Very high87 Ų8754.5 Ų54.541%0.40725%0.251SS..Hα-helixtrans-65-41.3174.9-179.256.7-153.900111.4R409 R410 I411 L415 R416 N417R409-E413 WeakPolarHBondContact O-CB 3.48Å; R409-E413 PolarHBondContact O-N 3.21Å; R410-E413 PolarHBondContact O-N 3.11Å; I411-E413 PolarHBondContact O-N 3.27Å; E413-L415 VanDerWaalsContact C-N 3.33Å; E413-L415 PolarHBondContact O-N 2.89Å; E413-R416 PolarHBondContact O-N 3.3Å; E413-R416 IonicContact OE2-NH1 3.89Å; E413-N417 PolarHBondContact O-N 2.97Å; E413-N417 PolarHBondContact O-ND2 3.28Å; E413-N417 PolarHBondContact OE1-ND2 3.15Å
414Q98.1Very high95.2Very high9 Ų953.6 Ų53.64%0.04224%0.242CC..Hα-helixtrans-60.8-42.1173.3-178.8178.2-36.300111.9F242 A244 F245 R410 I411 N417 Y418F242-Q414 HydrophobicContact CB-CG 3.96Å; F242-Q414 HydrophobicContact CD1-CG 4.24Å; F242-Q414 PolarHBondContact O-NE2 3.11Å; F242-Q414 VanDerWaalsContact O-NE2 3.12Å; A244-Q414 PolarHBondContact O-NE2 3.32Å; F245-Q414 HydrophobicContact CD1-CB 4.47Å; F245-Q414 HydrophobicContact CD1-CG 4.13Å; F245-Q414 HydrophobicContact CE1-CB 3.87Å; F245-Q414 HydrophobicContact CE1-CG 3.56Å; F245-Q414 HydrophobicContact CZ-CG 3.93Å; R410-Q414 WeakPolarHBondContact O-CB 3.43Å; R410-Q414 PolarHBondContact O-N 3.21Å; I411-Q414 PolarHBondContact O-N 3.1Å; Q414-N417 PolarHBondContact O-N 3Å; Q414-Y418 PolarHBondContact O-N 3.42Å
415L97.9Very high95.5Very high1 Ų161 Ų611%0.00528%0.28CS..Hα-helixtrans-64.9-39.9179.8-17558.2000111.9F245 L269 V272 I411 L412 E413 Y418 A419F245-L415 HydrophobicContact CE1-CB 4.02Å; F245-L415 HydrophobicContact CE1-CD1 4.42Å; F245-L415 HydrophobicContact CZ-CB 4.19Å; F245-L415 HydrophobicContact CZ-CD1 3.9Å; L269-L415 HydrophobicContact CD2-CD1 3.96Å; V272-L415 HydrophobicContact CB-CD1 3.92Å; V272-L415 HydrophobicContact CB-CD2 4.13Å; V272-L415 HydrophobicContact CB-CG 4.06Å; V272-L415 HydrophobicContact CG1-CD1 3.83Å; V272-L415 HydrophobicContact CG1-CG 4.06Å; V272-L415 HydrophobicContact CG2-CD1 4.37Å; V272-L415 HydrophobicContact CG2-CD2 3.74Å; V272-L415 HydrophobicContact CG2-CG 3.95Å; I411-L415 WeakPolarHBondContact O-CB 3.48Å; I411-L415 PolarHBondContact O-N 3.27Å; L412-L415 PolarHBondContact O-N 2.67Å; E413-L415 VanDerWaalsContact C-N 3.33Å; E413-L415 PolarHBondContact O-N 2.89Å; L415-Y418 HydrophobicContact CD1-CD1 4.45Å; L415-Y418 PolarHBondContact O-N 3.22Å; L415-A419 PolarHBondContact O-N 2.66Å
416R96.9Very high95.6Very high110 Ų11061 Ų6142%0.41528%0.279SS..Hα-helixtrans-58.3-50.2169.7172.4178.8178.9-168.15.6111.5L412 E413 Y418 A419 D420 Y426L412-R416 PolarHBondContact O-N 3.13Å; E413-R416 PolarHBondContact O-N 3.3Å; E413-R416 IonicContact OE2-NH1 3.89Å; R416-Y418 VanDerWaalsContact C-N 3.3Å; R416-Y418 PolarHBondContact O-N 3.17Å; R416-A419 WeakPolarHBondContact O-CB 3.34Å; R416-A419 PolarHBondContact O-N 3.4Å; R416-A419 VanDerWaalsContact O-N 3.15Å; R416-D420 IonicContact NE-OD2 3.92Å; R416-D420 PolarHBondContact O-N 2.8Å; R416-Y426 WeakPolarHBondContact CB-OH 3.36Å; R416-Y426 WeakPolarHBondContact CG-OH 3.41Å
417N97.9Very high95.5Very high48 Ų4858.5 Ų58.526%0.25727%0.272SS..Hα-helixtrans-62.1-36.7179.6-75.1-59.2000112.4F242 E413 Q414 L421F242-N417 HydrophobicContact CD1-CB 3.92Å; F242-N417 HydrophobicContact CD2-CB 3.69Å; F242-N417 HydrophobicContact CE1-CB 3.96Å; F242-N417 HydrophobicContact CE2-CB 3.74Å; F242-N417 HydrophobicContact CG-CB 3.78Å; F242-N417 HydrophobicContact CZ-CB 3.86Å; E413-N417 PolarHBondContact O-N 2.97Å; E413-N417 PolarHBondContact O-ND2 3.28Å; E413-N417 PolarHBondContact OE1-ND2 3.15Å; Q414-N417 PolarHBondContact O-N 3Å; N417-L421 VanDerWaalsContact O-CB 3.25Å; N417-L421 WeakPolarHBondContact O-CB 3.46Å; N417-L421 PolarHBondContact O-N 2.82Å
418Y98.2Very high95.1Very high2 Ų262.7 Ų62.71%0.00829%0.288CS..Hα-helixtrans-61.9-47.2172.2171.5-95.7000111.7P201 V204 I273 Q414 L415 R416 L421 N422 L424P201-Y418 HydrophobicContact CB-CE2 4.37Å; P201-Y418 PolarHBondContact O-OH 3.4Å; V204-Y418 HydrophobicContact CG2-CE1 4.12Å; V204-Y418 HydrophobicContact CG2-CE2 3.73Å; V204-Y418 VanDerWaalsContact CG2-CZ 3.47Å; V204-Y418 WeakPolarHBondContact CG2-OH 3.45Å; I273-Y418 HydrophobicContact CG1-CE1 4.02Å; Q414-Y418 PolarHBondContact O-N 3.42Å; L415-Y418 HydrophobicContact CD1-CD1 4.45Å; L415-Y418 PolarHBondContact O-N 3.22Å; R416-Y418 VanDerWaalsContact C-N 3.3Å; R416-Y418 PolarHBondContact O-N 3.17Å; Y418-L421 PolarHBondContact O-N 3.44Å; Y418-N422 VanDerWaalsContact CD2-ND2 3.34Å; Y418-N422 WeakPolarHBondContact CD2-ND2 3.44Å; Y418-N422 VanDerWaalsContact CE2-ND2 3.28Å; Y418-N422 WeakPolarHBondContact CE2-ND2 3.47Å; Y418-N422 WeakPolarHBondContact O-CB 3.39Å; Y418-N422 PolarHBondContact O-N 3.2Å; Y418-N422 PolarHBondContact O-ND2 2.88Å; Y418-L424 HydrophobicContact CD1-CD1 4.25Å; Y418-L424 HydrophobicContact CE1-CD1 3.54Å
419A97.2Very high94.9Very high0 Ų067.8 Ų67.80%032%0.315CS..Hα-helixtrans-62.3-46.4179.400000111.7V272 L415 R416 N422 K423 L424 Y426V272-A419 HydrophobicContact CG1-CB 3.74Å; L415-A419 PolarHBondContact O-N 2.66Å; R416-A419 WeakPolarHBondContact O-CB 3.34Å; R416-A419 PolarHBondContact O-N 3.4Å; R416-A419 VanDerWaalsContact O-N 3.15Å; A419-N422 CarbonylContact O-C 3.32Å; A419-N422 PolarHBondContact O-N 2.61Å; A419-K423 WeakPolarHBondContact O-CA 3.4Å; A419-K423 PolarHBondContact O-N 2.84Å; A419-L424 HydrophobicContact CB-CB 4.22Å; A419-L424 PolarHBondContact O-N 2.84Å; A419-Y426 HydrophobicContact CB-CD1 3.56Å; A419-Y426 HydrophobicContact CB-CE1 3.46Å; A419-Y426 VanDerWaalsContact CB-CE1 3.46Å
420D96.9Very high94.7Very high93 Ų9365.6 Ų65.650%0.49731%0.311SS..Hα-helixtrans-62-46178.8-70.7-17.5000111.2R416 N422 K423R416-D420 IonicContact NE-OD2 3.92Å; R416-D420 PolarHBondContact O-N 2.8Å; D420-N422 VanDerWaalsContact C-N 3.29Å; D420-N422 PolarHBondContact O-N 3.07Å; D420-K423 PolarHBondContact O-N 3.46Å
421L97.3Very high94.4Very high85 Ų8563.4 Ų63.445%0.44530%0.303SS..Hα-helixtrans-61.5-37.1178.4-177.463.2000112.3R241 F242 N417 Y418R241-L421 HydrophobicContact CB-CD2 3.96Å; R241-L421 WeakPolarHBondContact O-CD2 3.46Å; F242-L421 HydrophobicContact CD2-CB 4.44Å; F242-L421 HydrophobicContact CD2-CD2 3.98Å; F242-L421 HydrophobicContact CE2-CD2 4.36Å; N417-L421 VanDerWaalsContact O-CB 3.25Å; N417-L421 WeakPolarHBondContact O-CB 3.46Å; N417-L421 PolarHBondContact O-N 2.82Å; Y418-L421 PolarHBondContact O-N 3.44Å
422N95.8Very high93.8Very high47 Ų4768.4 Ų68.425%0.25132%0.322SS..Hα-helixtrans-96.95-177.3-68.6-75.4000113.9P201 Y418 A419 D420 L424P201-N422 WeakPolarHBondContact CB-OD1 3.44Å; Y418-N422 VanDerWaalsContact CD2-ND2 3.34Å; Y418-N422 WeakPolarHBondContact CD2-ND2 3.44Å; Y418-N422 VanDerWaalsContact CE2-ND2 3.28Å; Y418-N422 WeakPolarHBondContact CE2-ND2 3.47Å; Y418-N422 WeakPolarHBondContact O-CB 3.39Å; Y418-N422 PolarHBondContact O-N 3.2Å; Y418-N422 PolarHBondContact O-ND2 2.88Å; A419-N422 CarbonylContact O-C 3.32Å; A419-N422 PolarHBondContact O-N 2.61Å; D420-N422 VanDerWaalsContact C-N 3.29Å; D420-N422 PolarHBondContact O-N 3.07Å; N422-L424 HydrophobicContact CB-CD1 4.31Å; N422-L424 HydrophobicContact CB-CG 3.99Å; N422-L424 PolarHBondContact O-N 3.12Å
423K95.2Very high93.5Very high191 Ų19171.8 Ų71.883%0.8334%0.338SS*.THydrogen-bonded Turntrans55.239-179.2-52.1177.7-178.7179.70112.7A419 D420A419-K423 WeakPolarHBondContact O-CA 3.4Å; A419-K423 PolarHBondContact O-N 2.84Å; D420-K423 PolarHBondContact O-N 3.46Å
424L93.6Very high93Very high25 Ų2569.3 Ų69.313%0.13133%0.327CS..  trans-86.9131.9174.7-56.3-178.9000109.3Y418 A419 N422Y418-L424 HydrophobicContact CD1-CD1 4.25Å; Y418-L424 HydrophobicContact CE1-CD1 3.54Å; A419-L424 HydrophobicContact CB-CB 4.22Å; A419-L424 PolarHBondContact O-N 2.84Å; N422-L424 HydrophobicContact CB-CD1 4.31Å; N422-L424 HydrophobicContact CB-CG 3.99Å; N422-L424 PolarHBondContact O-N 3.12Å
425I92.1Very high92.4Very high168 Ų16869.2 Ų69.286%0.86233%0.326SS*.  trans-90.2127.4174.1-58.6170.2000107.3
426Y91.4Very high91.5Very high46 Ų4673 Ų7318%0.1835%0.347CS..  trans-140.9156173.873-78.2000110.1V272 R416 A419 Y428 V431V272-Y426 HydrophobicContact CB-CG 4.49Å; V272-Y426 HydrophobicContact CG1-CD1 4.23Å; V272-Y426 HydrophobicContact CG1-CG 4.21Å; V272-Y426 HydrophobicContact CG2-CD1 4.49Å; V272-Y426 HydrophobicContact CG2-CD2 3.66Å; V272-Y426 HydrophobicContact CG2-CE2 4.31Å; V272-Y426 HydrophobicContact CG2-CG 3.75Å; R416-Y426 WeakPolarHBondContact CB-OH 3.36Å; R416-Y426 WeakPolarHBondContact CG-OH 3.41Å; A419-Y426 HydrophobicContact CB-CD1 3.56Å; A419-Y426 HydrophobicContact CB-CE1 3.46Å; A419-Y426 VanDerWaalsContact CB-CE1 3.46Å; Y426-Y428 HydrophobicContact CE2-CD2 4.13Å; Y426-Y428 PolarHBondContact O-N 3.29Å; Y426-V431 HydrophobicContact CD2-CG2 3.89Å; Y426-V431 HydrophobicContact CE2-CG2 4.35Å
427D90.1Very high90.3Very high84 Ų8474.8 Ų74.845%0.44936%0.364SS..  trans-84.5107.1175.6-176.5-11.8000109.5D429 Q430 V431D427-D429 VanDerWaalsContact C-N 3.29Å; D427-D429 PolarHBondContact O-N 3.2Å; D427-D429 WeakPolarHBondContact OD1-CB 3.49Å; D427-D429 PolarHBondContact OD1-N 3.06Å; D427-Q430 HydrophobicContact CB-CB 3.76Å; D427-Q430 PolarHBondContact O-N 3.3Å; D427-Q430 PolarHBondContact OD1-N 3.41Å; D427-Q430 VanDerWaalsContact OD1-N 3.15Å; D427-V431 WeakPolarHBondContact O-CG2 3.44Å; D427-V431 PolarHBondContact O-N 3.06Å; D427-V431 VanDerWaalsContact O-N 3.16Å
428Y87.5Confident88.7Confident101 Ų10175.2 Ų75.240%0.39637%0.368SS..Hα-helixtrans-62.9-37178.8-177-93.3000112Y426 V431 Y432Y426-Y428 HydrophobicContact CE2-CD2 4.13Å; Y426-Y428 PolarHBondContact O-N 3.29Å; Y428-V431 PolarHBondContact O-N 2.93Å; Y428-Y432 HydrophobicContact CE1-CD2 4.38Å; Y428-Y432 HydrophobicContact CE1-CG 4.4Å; Y428-Y432 VanDerWaalsContact O-CB 3.27Å; Y428-Y432 WeakPolarHBondContact O-CB 3.4Å; Y428-Y432 PolarHBondContact O-N 3.34Å
429D88.2Confident86.9Confident112 Ų11278 Ų7860%0.59940%0.397SS*.Hα-helixtrans-67.8-41.6-179.5-68.2-30.8000109.9D427 V431 Y432 Q433D427-D429 VanDerWaalsContact C-N 3.29Å; D427-D429 PolarHBondContact O-N 3.2Å; D427-D429 WeakPolarHBondContact OD1-CB 3.49Å; D427-D429 PolarHBondContact OD1-N 3.06Å; D429-V431 VanDerWaalsContact C-N 3.33Å; D429-V431 PolarHBondContact O-N 3.32Å; D429-Y432 PolarHBondContact O-N 3.46Å; D429-Q433 WeakPolarHBondContact O-CB 3.18Å; D429-Q433 VanDerWaalsContact O-CG 3.24Å; D429-Q433 WeakPolarHBondContact O-CG 3.37Å; D429-Q433 PolarHBondContact O-N 3.41Å
430Q91.3Very high85.1Confident99 Ų9980.2 Ų80.246%0.46341%0.408SS..Hα-helixtrans-57.9-46.1174-170.6-175.51700111.6I271 D427I271-Q430 HydrophobicContact CD1-CG 4.08Å; D427-Q430 HydrophobicContact CB-CB 3.76Å; D427-Q430 PolarHBondContact O-N 3.3Å; D427-Q430 PolarHBondContact OD1-N 3.41Å; D427-Q430 VanDerWaalsContact OD1-N 3.15Å
431V89Confident84.5Confident0 Ų079.6 Ų79.60%040%0.403CS..Hα-helixtrans-69.4-41.8-179.4178.30000111.5I271 V272 L412 Y426 D427 Y428 D429 Q433 L434I271-V431 HydrophobicContact CB-CG2 4.47Å; I271-V431 HydrophobicContact CG2-CG2 3.91Å; V272-V431 HydrophobicContact CG2-CG2 3.9Å; L412-V431 HydrophobicContact CD1-CG1 3.37Å; Y426-V431 HydrophobicContact CD2-CG2 3.89Å; Y426-V431 HydrophobicContact CE2-CG2 4.35Å; D427-V431 WeakPolarHBondContact O-CG2 3.44Å; D427-V431 PolarHBondContact O-N 3.06Å; D427-V431 VanDerWaalsContact O-N 3.16Å; Y428-V431 PolarHBondContact O-N 2.93Å; D429-V431 VanDerWaalsContact C-N 3.33Å; D429-V431 PolarHBondContact O-N 3.32Å; V431-Q433 PolarHBondContact O-N 3.4Å; V431-L434 WeakPolarHBondContact O-CB 3.29Å; V431-L434 PolarHBondContact O-N 3.15Å
432Y84.7Confident83.8Confident105 Ų10579.3 Ų79.341%0.41240%0.401SS..Hα-helixtrans-63.8-40.7179.1-176.3-99.5000111.8Y428 D429 L434 Y435 N436Y428-Y432 HydrophobicContact CE1-CD2 4.38Å; Y428-Y432 HydrophobicContact CE1-CG 4.4Å; Y428-Y432 VanDerWaalsContact O-CB 3.27Å; Y428-Y432 WeakPolarHBondContact O-CB 3.4Å; Y428-Y432 PolarHBondContact O-N 3.34Å; D429-Y432 PolarHBondContact O-N 3.46Å; Y432-L434 PolarHBondContact O-N 3.34Å; Y432-Y435 PolarHBondContact O-N 3.12Å; Y432-N436 PolarHBondContact O-N 3.48Å
433Q87.4Confident83.1Confident94 Ų9481.1 Ų81.144%0.43941%0.409SS..Hα-helixtrans-63.7-25.7178.2-70.4-57.6-32.500113.4D429 V431 Y435 N436 L437D429-Q433 WeakPolarHBondContact O-CB 3.18Å; D429-Q433 VanDerWaalsContact O-CG 3.24Å; D429-Q433 WeakPolarHBondContact O-CG 3.37Å; D429-Q433 PolarHBondContact O-N 3.41Å; V431-Q433 PolarHBondContact O-N 3.4Å; Q433-Y435 VanDerWaalsContact C-N 3.28Å; Q433-Y435 PolarHBondContact O-N 3.45Å; Q433-N436 PolarHBondContact O-N 3.15Å; Q433-N436 PolarHBondContact OE1-ND2 3.44Å; Q433-L437 WeakPolarHBondContact O-CG 3.49Å; Q433-L437 PolarHBondContact O-N 2.93Å
434L86.8Confident82.4Confident35 Ų3574.6 Ų74.618%0.18339%0.385CS..Hα-helixtrans-60.6-37.7175.5-70.2172.6000112.6D267 I271 V431 Y432D267-L434 HydrophobicContact CB-CD1 3.62Å; D267-L434 HydrophobicContact CB-CD2 4.14Å; I271-L434 HydrophobicContact CD1-CD1 3.64Å; V431-L434 WeakPolarHBondContact O-CB 3.29Å; V431-L434 PolarHBondContact O-N 3.15Å; Y432-L434 PolarHBondContact O-N 3.34Å
435Y85.4Confident81.7Confident8 Ų877.7 Ų77.73%0.03140%0.4CS..Hα-helixtrans-80.1-34.1177.5-70.4-94.9000111.5P264 I265 H408 L412 Y432 Q433 L437 T438 G439 M440P264-Y435 HydrophobicContact CB-CD1 3.73Å; P264-Y435 HydrophobicContact CB-CD2 4.11Å; P264-Y435 HydrophobicContact CB-CE1 3.56Å; P264-Y435 HydrophobicContact CB-CE2 3.95Å; P264-Y435 HydrophobicContact CB-CG 4.01Å; P264-Y435 HydrophobicContact CG-CD1 4.43Å; I265-Y435 WeakPolarHBondContact CA-OH 3.4Å; I265-Y435 WeakPolarHBondContact CG1-OH 3.45Å; H408-Y435 HydrophobicContact CB-CD1 3.82Å; H408-Y435 HydrophobicContact CB-CE1 3.52Å; H408-Y435 AromaticContact CD2-CE1 3.94Å; H408-Y435 AromaticContact CE1-CE1 3.96Å; H408-Y435 AromaticContact CG-CD1 3.78Å; H408-Y435 AromaticContact CG-CE1 3.41Å; H408-Y435 VanDerWaalsContact CG-CE1 3.41Å; H408-Y435 AromaticContact ND1-CD1 3.41Å; H408-Y435 WeakPolarHBondContact ND1-CD1 3.47Å; H408-Y435 AromaticContact ND1-CE1 3.44Å; H408-Y435 WeakPolarHBondContact ND1-CE1 3.41Å; L412-Y435 HydrophobicContact CD1-CE2 4.26Å; Y432-Y435 PolarHBondContact O-N 3.12Å; Q433-Y435 VanDerWaalsContact C-N 3.28Å; Q433-Y435 PolarHBondContact O-N 3.45Å; Y435-L437 VanDerWaalsContact C-N 3.31Å; Y435-L437 PolarHBondContact O-N 3.25Å; Y435-T438 CarbonylContact O-C 3.49Å; Y435-T438 PolarHBondContact O-N 2.95Å; Y435-T438 PolarHBondContact O-OG1 2.92Å; Y435-G439 PolarHBondContact O-N 2.65Å; Y435-M440 CarbonylContact C-O 3.58Å; Y435-M440 VanDerWaalsContact C-O 3.32Å; Y435-M440 PolarHBondContact O-N 3.17Å; Y435-M440 VanDerWaalsContact O-N 3.07Å
436N78.7Confident81Confident81 Ų8171.7 Ų71.743%0.43337%0.37SS..Hα-helixtrans-65.1-32.5176.4-164.931.9000112.7Y432 Q433 T438 G439Y432-N436 PolarHBondContact O-N 3.48Å; Q433-N436 PolarHBondContact O-N 3.15Å; Q433-N436 PolarHBondContact OE1-ND2 3.44Å; N436-T438 PolarHBondContact O-N 3.2Å; N436-G439 PolarHBondContact O-N 2.57Å
437L71.3Confident80.3Confident147 Ų14773.5 Ų73.577%0.7738%0.383SS*.THydrogen-bonded Turntrans-60.4-24.3173-75.7171.1000113Q433 Y435Q433-L437 WeakPolarHBondContact O-CG 3.49Å; Q433-L437 PolarHBondContact O-N 2.93Å; Y435-L437 VanDerWaalsContact C-N 3.31Å; Y435-L437 PolarHBondContact O-N 3.25Å
438T64.6Low79.6Confident57 Ų5772.7 Ų72.735%0.3538%0.378SS..THydrogen-bonded Turntrans-98.16.4174.144.90000113.4P264 Y435 N436P264-T438 HydrophobicContact CG-CG2 4.28Å; Y435-T438 CarbonylContact O-C 3.49Å; Y435-T438 PolarHBondContact O-N 2.95Å; Y435-T438 PolarHBondContact O-OG1 2.92Å; N436-T438 PolarHBondContact O-N 3.2Å
439G60.9Low78.9Confident59 Ų5970.3 Ų70.361%0.60838%0.377SS*.THydrogen-bonded Turntrans70.229.8-178.800000114.2Y435 N436Y435-G439 PolarHBondContact O-N 2.65Å; N436-G439 PolarHBondContact O-N 2.57Å
440M58.7Low78.1Confident47 Ų4766.5 Ų66.523%0.23236%0.356CS..  trans-120.10-174-62.5174.387.900113L401 I404 Q405 H408 Y435L401-M440 HydrophobicContact CD2-CE 4.5Å; I404-M440 HydrophobicContact CB-CE 4.36Å; I404-M440 HydrophobicContact CG2-CE 3.9Å; Q405-M440 HydrophobicContact CB-CE 4.05Å; Q405-M440 HydrophobicContact CG-CB 4.25Å; Q405-M440 HydrophobicContact CG-CE 3.22Å; Q405-M440 HydrophobicContact CG-CG 3.92Å; Q405-M440 HydrophobicContact CG-SD 4.4Å; H408-M440 WeakPolarHBondContact CE1-CE 3.5Å; H408-M440 VanDerWaalsContact CE1-SD 3.55Å; H408-M440 WeakPolarHBondContact ND1-CE 3.34Å; H408-M440 PolarHBondContact ND1-SD 3.41Å; Y435-M440 CarbonylContact C-O 3.58Å; Y435-M440 VanDerWaalsContact C-O 3.32Å; Y435-M440 PolarHBondContact O-N 3.17Å; Y435-M440 VanDerWaalsContact O-N 3.07Å

Retrieved 440 of 440 residues in 152.2 ms (Link to these results)

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