A0A5K4F8B2_SCHMA Loading...

Acetyl-coenzyme A transporter 1

AlphaFold DB , UniProt , Accession A0A5K4F8B2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 607 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
1M49.2Very low72.1Confident158 Ų15889.3 Ų89.378%0.77849%0.485SS*.  0141.20-92.1-179.4175.400108.9N5 L6M1-N5 HydrophobicContact CB-CB 4.27Å; M1-N5 HydrophobicContact CG-CB 4.28Å; M1-N5 HydrophobicContact SD-CB 4.43Å; M1-L6 HydrophobicContact CB-CD2 3.81Å; M1-L6 HydrophobicContact CB-CG 4.02Å; M1-L6 HydrophobicContact SD-CD2 3.97Å
2G60.8Low73.4Confident45 Ų4588.5 Ų88.546%0.46448%0.48SS..  trans-65.5152171.200000111.5Y4 N5 L6G2-Y4 PolarHBondContact O-N 2.61Å; G2-Y4 VanDerWaalsContact O-N 3.12Å; G2-N5 WeakPolarHBondContact O-CA 3.37Å; G2-N5 WeakPolarHBondContact O-CB 3.39Å; G2-N5 PolarHBondContact O-N 3.22Å; G2-L6 PolarHBondContact O-N 3.46Å; G2-L6 VanDerWaalsContact O-N 3.12Å
3V68.7Low74.9Confident112 Ų11282.5 Ų82.568%0.67945%0.448SS*.Hα-helixtrans-50.5-39-179.3177.70000112.1L6 Q7V3-L6 PolarHBondContact O-N 2.92Å; V3-Q7 PolarHBondContact O-N 3.49Å
4Y62.1Low75.7Confident192 Ų19281.3 Ų81.375%0.75345%0.449SS*.Hα-helixtrans-64.7-38.6176.4-65.6-70.5000113.4G2 Q7 A8G2-Y4 PolarHBondContact O-N 2.61Å; G2-Y4 VanDerWaalsContact O-N 3.12Å; Y4-Q7 PolarHBondContact O-N 3.19Å; Y4-A8 WeakPolarHBondContact O-CB 3.32Å; Y4-A8 PolarHBondContact O-N 3.07Å
5N72.6Confident76.4Confident96 Ų9685 Ų8551%0.51345%0.454SS..Hα-helixtrans-67.4-40.5176.3-73.3-2.3000110.8M1 G2 Q7 A8 T9M1-N5 HydrophobicContact CB-CB 4.27Å; M1-N5 HydrophobicContact CG-CB 4.28Å; M1-N5 HydrophobicContact SD-CB 4.43Å; G2-N5 WeakPolarHBondContact O-CA 3.37Å; G2-N5 WeakPolarHBondContact O-CB 3.39Å; G2-N5 PolarHBondContact O-N 3.22Å; N5-Q7 VanDerWaalsContact C-N 3.35Å; N5-Q7 PolarHBondContact O-N 3.26Å; N5-A8 PolarHBondContact O-N 2.94Å; N5-T9 PolarHBondContact O-N 2.86Å; N5-T9 PolarHBondContact O-OG1 3.01Å; N5-T9 VanDerWaalsContact O-OG1 3.06Å
6L76.2Confident77.4Confident47 Ų4779.8 Ų79.825%0.24643%0.426CS..Hα-helixtrans-60.1-46.3175.4-63.7173000111.1M1 G2 V3 T9 F10 I83M1-L6 HydrophobicContact CB-CD2 3.81Å; M1-L6 HydrophobicContact CB-CG 4.02Å; M1-L6 HydrophobicContact SD-CD2 3.97Å; G2-L6 PolarHBondContact O-N 3.46Å; G2-L6 VanDerWaalsContact O-N 3.12Å; V3-L6 PolarHBondContact O-N 2.92Å; L6-T9 PolarHBondContact O-N 3.12Å; L6-F10 PolarHBondContact O-N 3.41Å; L6-I83 HydrophobicContact CB-CD1 4.32Å; L6-I83 HydrophobicContact CB-CG1 4.22Å; L6-I83 HydrophobicContact CD2-CB 3.76Å; L6-I83 HydrophobicContact CD2-CG1 4.07Å; L6-I83 HydrophobicContact CD2-CG2 3.69Å; L6-I83 WeakPolarHBondContact O-CG1 3.27Å
7Q74.1Confident77.9Confident123 Ų12379.1 Ų79.158%0.57542%0.419SS*.Hα-helixtrans-65.9-38.5178.3-170177.1-8.900112.4V3 Y4 N5 F10 S11V3-Q7 PolarHBondContact O-N 3.49Å; Y4-Q7 PolarHBondContact O-N 3.19Å; N5-Q7 VanDerWaalsContact C-N 3.35Å; N5-Q7 PolarHBondContact O-N 3.26Å; Q7-F10 PolarHBondContact O-N 3.4Å; Q7-S11 WeakPolarHBondContact O-CB 3.4Å; Q7-S11 PolarHBondContact O-N 3.22Å
8A74.4Confident78.2Confident54 Ų5477.7 Ų77.745%0.44642%0.416SS..Hα-helixtrans-63.8-45.3175.600000111.3Y4 N5 F10 S11Y4-A8 WeakPolarHBondContact O-CB 3.32Å; Y4-A8 PolarHBondContact O-N 3.07Å; N5-A8 PolarHBondContact O-N 2.94Å; A8-F10 PolarHBondContact O-N 3.4Å; A8-S11 WeakPolarHBondContact O-CB 3.49Å; A8-S11 PolarHBondContact O-N 3.04Å; A8-S11 PolarHBondContact O-OG 2.81Å
9T81.4Confident78.7Confident29 Ų2977.1 Ų77.118%0.17841%0.413CS..Hα-helixtrans-60.2-48.1175.4-58.50000111N5 L6 S11 L12 I83 I84 T87N5-T9 PolarHBondContact O-N 2.86Å; N5-T9 PolarHBondContact O-OG1 3.01Å; N5-T9 VanDerWaalsContact O-OG1 3.06Å; L6-T9 PolarHBondContact O-N 3.12Å; T9-S11 VanDerWaalsContact C-N 3.25Å; T9-S11 PolarHBondContact O-N 3.19Å; T9-L12 VanDerWaalsContact O-CB 3.28Å; T9-L12 WeakPolarHBondContact O-CB 3.39Å; T9-L12 WeakPolarHBondContact O-CG 3.47Å; T9-L12 PolarHBondContact O-N 3.01Å; T9-L12 VanDerWaalsContact O-N 3.16Å; T9-I83 HydrophobicContact CG2-CG1 4.46Å; T9-I83 HydrophobicContact CG2-CG2 4.4Å; T9-I84 HydrophobicContact CG2-CD1 4.01Å; T9-T87 HydrophobicContact CG2-CG2 4.41Å; T9-T87 VanDerWaalsContact O-CG2 3.23Å; T9-T87 WeakPolarHBondContact O-CG2 3.44Å
10F87.9Confident79.3Confident68 Ų6873.3 Ų73.330%0.29839%0.392SS..Hα-helixtrans-62.8-31.6178.2-171.2-108.2000113L6 Q7 A8 L12 S13 I83 L86 T87 F90L6-F10 PolarHBondContact O-N 3.41Å; Q7-F10 PolarHBondContact O-N 3.4Å; A8-F10 PolarHBondContact O-N 3.4Å; F10-L12 PolarHBondContact O-N 3.07Å; F10-L12 VanDerWaalsContact O-N 3.15Å; F10-S13 VanDerWaalsContact O-CB 3.28Å; F10-S13 WeakPolarHBondContact O-CB 3.49Å; F10-S13 PolarHBondContact O-N 3.28Å; F10-S13 PolarHBondContact O-OG 3.41Å; F10-I83 HydrophobicContact CB-CD1 3.85Å; F10-I83 HydrophobicContact CB-CG1 4.42Å; F10-I83 HydrophobicContact CD2-CD1 4.36Å; F10-I83 HydrophobicContact CG-CD1 4.42Å; F10-L86 HydrophobicContact CD2-CB 4.33Å; F10-L86 HydrophobicContact CE2-CB 4.25Å; F10-T87 WeakPolarHBondContact CA-OG1 3.39Å; F10-F90 HydrophobicContact CE2-CB 3.92Å; F10-F90 HydrophobicContact CE2-CD1 4.46Å; F10-F90 AromaticContact CE2-CD2 3.81Å; F10-F90 HydrophobicContact CE2-CD2 3.81Å; F10-F90 HydrophobicContact CE2-CE2 4.43Å; F10-F90 AromaticContact CE2-CG 3.8Å; F10-F90 HydrophobicContact CE2-CG 3.8Å; F10-F90 HydrophobicContact CZ-CB 4.1Å; F10-F90 AromaticContact CZ-CD1 3.94Å; F10-F90 HydrophobicContact CZ-CD1 3.94Å; F10-F90 HydrophobicContact CZ-CD2 4.03Å; F10-F90 HydrophobicContact CZ-CE1 4.36Å; F10-F90 HydrophobicContact CZ-CE2 4.43Å; F10-F90 AromaticContact CZ-CG 3.74Å; F10-F90 HydrophobicContact CZ-CG 3.74Å
11S85.9Confident79.7Confident58 Ų5871.8 Ų71.841%0.40638%0.384SS..Hα-helixtrans-62-21.9178.679.60000113.7Q7 A8 T9 S13 S14Q7-S11 WeakPolarHBondContact O-CB 3.4Å; Q7-S11 PolarHBondContact O-N 3.22Å; A8-S11 WeakPolarHBondContact O-CB 3.49Å; A8-S11 PolarHBondContact O-N 3.04Å; A8-S11 PolarHBondContact O-OG 2.81Å; T9-S11 VanDerWaalsContact C-N 3.25Å; T9-S11 PolarHBondContact O-N 3.19Å; S11-S13 PolarHBondContact O-N 3.32Å; S11-S14 PolarHBondContact O-N 3.02Å; S11-S14 PolarHBondContact O-OG 3.07Å
12L87.5Confident81.7Confident80 Ų8069.6 Ų69.642%0.41938%0.375SS..G310 helixtrans-58.8-27.7172.7-64.2173.8000112.3T9 F10 S14 W15 T87T9-L12 VanDerWaalsContact O-CB 3.28Å; T9-L12 WeakPolarHBondContact O-CB 3.39Å; T9-L12 WeakPolarHBondContact O-CG 3.47Å; T9-L12 PolarHBondContact O-N 3.01Å; T9-L12 VanDerWaalsContact O-N 3.16Å; F10-L12 PolarHBondContact O-N 3.07Å; F10-L12 VanDerWaalsContact O-N 3.15Å; L12-S14 PolarHBondContact O-N 3.16Å; L12-S14 VanDerWaalsContact O-N 3.1Å; L12-W15 HydrophobicContact CD2-CZ2 4.31Å; L12-W15 WeakPolarHBondContact O-CB 3.41Å; L12-W15 PolarHBondContact O-N 3.32Å; L12-W15 VanDerWaalsContact O-N 3.12Å; L12-T87 HydrophobicContact CB-CG2 4.21Å
13S93.1Very high83.2Confident10 Ų1068.9 Ų68.97%0.0736%0.358CS..G310 helixtrans-56.8-25.2174.364.70000113.1F10 S11 P16 T94F10-S13 VanDerWaalsContact O-CB 3.28Å; F10-S13 WeakPolarHBondContact O-CB 3.49Å; F10-S13 PolarHBondContact O-N 3.28Å; F10-S13 PolarHBondContact O-OG 3.41Å; S11-S13 PolarHBondContact O-N 3.32Å; S13-P16 VanDerWaalsContact O-CD 3.29Å; S13-P16 WeakPolarHBondContact O-CD 3.05Å; S13-T94 VanDerWaalsContact O-CB 3.24Å; S13-T94 WeakPolarHBondContact O-CB 3.48Å; S13-T94 VanDerWaalsContact O-CG2 3.3Å; S13-T94 WeakPolarHBondContact O-CG2 3.32Å; S13-T94 PolarHBondContact O-OG1 2.99Å
14S86.5Confident84.3Confident66 Ų6663.6 Ų63.646%0.46233%0.326SS..G310 helixtrans-82.1-12-179.166.50000114.8S11 L12 F17S11-S14 PolarHBondContact O-N 3.02Å; S11-S14 PolarHBondContact O-OG 3.07Å; L12-S14 PolarHBondContact O-N 3.16Å; L12-S14 VanDerWaalsContact O-N 3.1Å; S14-F17 PolarHBondContact O-N 3.48Å
15W85.8Confident85.6Confident137 Ų13754.4 Ų54.452%0.51929%0.29SS..THydrogen-bonded Turntrans-59.2-33-173.4-84.842.1000116.2L12 F17 S18 L19 F91L12-W15 HydrophobicContact CD2-CZ2 4.31Å; L12-W15 WeakPolarHBondContact O-CB 3.41Å; L12-W15 PolarHBondContact O-N 3.32Å; L12-W15 VanDerWaalsContact O-N 3.12Å; W15-F17 PolarHBondContact O-N 3.17Å; W15-F17 VanDerWaalsContact O-N 3.13Å; W15-S18 WeakPolarHBondContact O-CA 3.39Å; W15-S18 WeakPolarHBondContact O-CB 3.38Å; W15-S18 PolarHBondContact O-N 2.91Å; W15-L19 HydrophobicContact CE3-CD1 4.14Å; W15-L19 PolarHBondContact O-N 3.47Å; W15-L19 VanDerWaalsContact O-N 3.15Å; W15-F91 HydrophobicContact CB-CE2 4.48Å
16P92.5Very high86.6Confident1 Ų152.5 Ų52.51%0.00628%0.279CS..Hα-helixtrans-54.1-34.8179.8-31.639.3000114.3S13 S18 L19 K20 W23 F91 T94 F95 A98S13-P16 VanDerWaalsContact O-CD 3.29Å; S13-P16 WeakPolarHBondContact O-CD 3.05Å; P16-S18 PolarHBondContact O-N 3.31Å; P16-L19 PolarHBondContact O-N 2.93Å; P16-L19 VanDerWaalsContact O-N 3.11Å; P16-K20 PolarHBondContact O-N 3.48Å; P16-W23 HydrophobicContact CB-CH2 3.91Å; P16-W23 HydrophobicContact CB-CZ2 4.43Å; P16-W23 WeakPolarHBondContact O-CH2 3.44Å; P16-F91 HydrophobicContact CG-CD1 4.47Å; P16-F91 HydrophobicContact CG-CD2 3.86Å; P16-F91 HydrophobicContact CG-CE1 4.25Å; P16-F91 HydrophobicContact CG-CE2 3.62Å; P16-F91 HydrophobicContact CG-CG 4.29Å; P16-F91 HydrophobicContact CG-CZ 3.82Å; P16-T94 WeakPolarHBondContact CG-OG1 3.5Å; P16-F95 HydrophobicContact CB-CB 4.07Å; P16-F95 HydrophobicContact CB-CD2 4.36Å; P16-F95 HydrophobicContact CG-CB 4.04Å; P16-A98 HydrophobicContact CB-CB 4.23Å
17F86.3Confident87.3Confident69 Ų6950.4 Ų50.430%0.30327%0.268SS..Hα-helixtrans-64.5-21.7175.7-83.1-76.7000114.5S14 W15 A98 D101S14-F17 PolarHBondContact O-N 3.48Å; W15-F17 PolarHBondContact O-N 3.17Å; W15-F17 VanDerWaalsContact O-N 3.13Å; F17-A98 HydrophobicContact CD1-CB 4.09Å; F17-A98 HydrophobicContact CD2-CB 4.46Å; F17-A98 HydrophobicContact CE1-CB 4.15Å; F17-A98 HydrophobicContact CG-CB 4.25Å; F17-A98 HydrophobicContact CZ-CB 4.36Å; F17-D101 HydrophobicContact CE1-CB 4.45Å
18S82.4Confident87.9Confident54 Ų5444.5 Ų44.538%0.37824%0.241SC..Hα-helixtrans-90.4-24.8175.2-590000112.3W15 P16 T432W15-S18 WeakPolarHBondContact O-CA 3.39Å; W15-S18 WeakPolarHBondContact O-CB 3.38Å; W15-S18 PolarHBondContact O-N 2.91Å; P16-S18 PolarHBondContact O-N 3.31Å; S18-T432 WeakPolarHBondContact O-CG2 3.47Å
19L87.1Confident88.4Confident66 Ų6642.7 Ų42.735%0.34623%0.225SC..Hα-helixtrans-100.6-6.4-175.6-63.5-179.7000113.8W15 P16 L21 L22 W23W15-L19 HydrophobicContact CE3-CD1 4.14Å; W15-L19 PolarHBondContact O-N 3.47Å; W15-L19 VanDerWaalsContact O-N 3.15Å; P16-L19 PolarHBondContact O-N 2.93Å; P16-L19 VanDerWaalsContact O-N 3.11Å; L19-L21 PolarHBondContact O-N 2.86Å; L19-L22 HydrophobicContact CB-CD1 4.23Å; L19-L22 HydrophobicContact CD2-CD1 4.25Å; L19-L22 VanDerWaalsContact O-CB 3.29Å; L19-L22 WeakPolarHBondContact O-CB 3.45Å; L19-L22 WeakPolarHBondContact O-CG 3.5Å; L19-L22 PolarHBondContact O-N 3.5Å; L19-W23 HydrophobicContact CB-CH2 4.3Å; L19-W23 HydrophobicContact CB-CZ3 3.77Å; L19-W23 WeakPolarHBondContact O-CZ3 3.38Å
20K91Very high88.8Confident1 Ų145.9 Ų45.90%0.00424%0.239CC..G310 helixtrans-53.5-23.8-174.159.9168.6-177.51640115.6P16 L22 W23 A24 A98 D101 I102 T428P16-K20 PolarHBondContact O-N 3.48Å; K20-L22 PolarHBondContact O-N 3.42Å; K20-W23 VanDerWaalsContact CA-CZ2 3.48Å; K20-W23 HydrophobicContact CB-CH2 3.92Å; K20-W23 HydrophobicContact CB-CZ2 3.65Å; K20-W23 PolarHBondContact O-N 2.91Å; K20-A24 WeakPolarHBondContact O-CB 3.35Å; K20-A24 PolarHBondContact O-N 3.38Å; K20-A98 HydrophobicContact CB-CB 4.35Å; K20-D101 IonicContact NZ-OD2 3.92Å; K20-D101 PolarHBondContact NZ-OD2 2.87Å; K20-I102 HydrophobicContact CB-CD1 3.97Å; K20-I102 HydrophobicContact CB-CG1 4.29Å; K20-I102 HydrophobicContact CD-CG1 4.21Å; K20-T428 HydrophobicContact CB-CG2 4.23Å; K20-T428 HydrophobicContact CD-CG2 3.69Å; K20-T428 HydrophobicContact CG-CG2 3.6Å
21L88.8Confident88.8Confident42 Ų4244.9 Ų44.922%0.2223%0.234CC..G310 helixtrans-56-32171.5-166.962.4000113.4L19 W23 P25 I245 L429 T432L19-L21 PolarHBondContact O-N 2.86Å; L21-W23 VanDerWaalsContact C-N 3.34Å; L21-W23 PolarHBondContact O-N 2.82Å; L21-P25 VanDerWaalsContact O-CD 3.31Å; L21-P25 WeakPolarHBondContact O-CD 3.26Å; L21-I245 HydrophobicContact CD1-CD1 3.26Å; L21-I245 HydrophobicContact CG-CD1 4.06Å; L21-L429 VanDerWaalsContact CD1-CA 3.49Å; L21-L429 HydrophobicContact CD1-CB 3.73Å; L21-L429 HydrophobicContact CD1-CD1 3.88Å; L21-L429 HydrophobicContact CD1-CG 4.42Å; L21-L429 HydrophobicContact CD2-CD1 3.68Å; L21-L429 HydrophobicContact CG-CD1 4.43Å; L21-T432 HydrophobicContact CB-CG2 4.32Å
22L89.8Confident88.9Confident111 Ų11146 Ų4658%0.58124%0.235SC*.G310 helixtrans-65.7-34.4-176.9-64.3178.8000112.5L19 K20 Y242L19-L22 HydrophobicContact CB-CD1 4.23Å; L19-L22 HydrophobicContact CD2-CD1 4.25Å; L19-L22 VanDerWaalsContact O-CB 3.29Å; L19-L22 WeakPolarHBondContact O-CB 3.45Å; L19-L22 WeakPolarHBondContact O-CG 3.5Å; L19-L22 PolarHBondContact O-N 3.5Å; K20-L22 PolarHBondContact O-N 3.42Å; L22-Y242 PolarHBondContact O-OH 2.85Å
23W93Very high88.6Confident31 Ų3145.9 Ų45.912%0.11724%0.235CC..THydrogen-bonded Turntrans-113.5-1.8-179.967.595.2000113.9P16 L19 K20 L21 P25 I26 V27 F95 A98 T99 I102P16-W23 HydrophobicContact CB-CH2 3.91Å; P16-W23 HydrophobicContact CB-CZ2 4.43Å; P16-W23 WeakPolarHBondContact O-CH2 3.44Å; L19-W23 HydrophobicContact CB-CH2 4.3Å; L19-W23 HydrophobicContact CB-CZ3 3.77Å; L19-W23 WeakPolarHBondContact O-CZ3 3.38Å; K20-W23 VanDerWaalsContact CA-CZ2 3.48Å; K20-W23 HydrophobicContact CB-CH2 3.92Å; K20-W23 HydrophobicContact CB-CZ2 3.65Å; K20-W23 PolarHBondContact O-N 2.91Å; L21-W23 VanDerWaalsContact C-N 3.34Å; L21-W23 PolarHBondContact O-N 2.82Å; W23-P25 VanDerWaalsContact C-CD 3.5Å; W23-P25 VanDerWaalsContact C-N 3.31Å; W23-I26 HydrophobicContact CB-CD1 4.05Å; W23-I26 WeakPolarHBondContact O-CA 3.44Å; W23-I26 VanDerWaalsContact O-CB 3.26Å; W23-I26 WeakPolarHBondContact O-CB 3.09Å; W23-I26 PolarHBondContact O-N 3.17Å; W23-V27 PolarHBondContact O-N 2.93Å; W23-V27 VanDerWaalsContact O-N 3.09Å; W23-F95 AromaticContact CD2-CE2 3.76Å; W23-F95 HydrophobicContact CD2-CE2 3.76Å; W23-F95 HydrophobicContact CD2-CZ 4.3Å; W23-F95 AromaticContact CE2-CE2 3.6Å; W23-F95 AromaticContact CE3-CE2 3.92Å; W23-F95 HydrophobicContact CE3-CE2 3.92Å; W23-F95 HydrophobicContact CG-CE2 4.39Å; W23-F95 HydrophobicContact CG-CZ 4.48Å; W23-F95 AromaticContact CH2-CD2 3.72Å; W23-F95 HydrophobicContact CH2-CD2 3.72Å; W23-F95 AromaticContact CH2-CE2 3.79Å; W23-F95 HydrophobicContact CH2-CE2 3.79Å; W23-F95 AromaticContact CZ2-CD2 3.67Å; W23-F95 HydrophobicContact CZ2-CD2 3.67Å; W23-F95 AromaticContact CZ2-CE2 3.64Å; W23-F95 HydrophobicContact CZ2-CE2 3.64Å; W23-F95 HydrophobicContact CZ3-CD2 4.22Å; W23-F95 AromaticContact CZ3-CE2 3.93Å; W23-F95 HydrophobicContact CZ3-CE2 3.93Å; W23-A98 HydrophobicContact CZ2-CB 3.97Å; W23-T99 PolarHBondContact NE1-OG1 3.09Å; W23-I102 HydrophobicContact CG-CD1 4.49Å
24A92.1Very high88.1Confident0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-54.9-40.8174.400000113.5K20 I26 V27 D28 I102 T425 T428K20-A24 WeakPolarHBondContact O-CB 3.35Å; K20-A24 PolarHBondContact O-N 3.38Å; A24-I26 PolarHBondContact O-N 3.41Å; A24-V27 PolarHBondContact O-N 2.94Å; A24-D28 PolarHBondContact O-N 2.86Å; A24-I102 HydrophobicContact CB-CD1 3.96Å; A24-I102 HydrophobicContact CB-CG1 4.27Å; A24-I102 HydrophobicContact CB-CG2 3.85Å; A24-T425 HydrophobicContact CB-CG2 4.48Å; A24-T425 PolarHBondContact O-OG1 3.01Å; A24-T428 HydrophobicContact CB-CG2 3.79Å
25P90.4Very high88.1Confident0 Ų048.1 Ų48.10%024%0.236CC..Hα-helixtrans-60.5-32.1173.2-28.239.2000113.7L21 W23 D28 S29 L238 T241 Y242 T425L21-P25 VanDerWaalsContact O-CD 3.31Å; L21-P25 WeakPolarHBondContact O-CD 3.26Å; W23-P25 VanDerWaalsContact C-CD 3.5Å; W23-P25 VanDerWaalsContact C-N 3.31Å; P25-D28 PolarHBondContact O-N 3.05Å; P25-S29 WeakPolarHBondContact O-CB 3.25Å; P25-S29 PolarHBondContact O-N 3.29Å; P25-S29 PolarHBondContact O-OG 3.13Å; P25-L238 HydrophobicContact CB-CD1 4.33Å; P25-T241 HydrophobicContact CB-CG2 3.75Å; P25-Y242 HydrophobicContact CB-CD1 4.13Å; P25-Y242 HydrophobicContact CB-CD2 3.95Å; P25-Y242 HydrophobicContact CB-CE1 3.97Å; P25-Y242 HydrophobicContact CB-CE2 3.81Å; P25-Y242 HydrophobicContact CB-CG 4.1Å; P25-Y242 HydrophobicContact CG-CD1 3.75Å; P25-Y242 HydrophobicContact CG-CD2 4.47Å; P25-Y242 HydrophobicContact CG-CE1 3.57Å; P25-Y242 HydrophobicContact CG-CE2 4.34Å; P25-Y242 HydrophobicContact CG-CG 4.19Å; P25-T425 WeakPolarHBondContact CA-OG1 3.45Å; P25-T425 HydrophobicContact CG-CG2 3.87Å
26I91.8Very high88Confident56 Ų5641.8 Ų41.829%0.28721%0.213SC..Hα-helixtrans-67.1-47.1176.7-57.3174000109.4W23 A24 D28 S29 I30 W41 L238W23-I26 HydrophobicContact CB-CD1 4.05Å; W23-I26 WeakPolarHBondContact O-CA 3.44Å; W23-I26 VanDerWaalsContact O-CB 3.26Å; W23-I26 WeakPolarHBondContact O-CB 3.09Å; W23-I26 PolarHBondContact O-N 3.17Å; A24-I26 PolarHBondContact O-N 3.41Å; I26-D28 PolarHBondContact O-N 3.4Å; I26-S29 PolarHBondContact O-N 3.02Å; I26-S29 PolarHBondContact O-OG 3Å; I26-I30 HydrophobicContact CG2-CD1 3.79Å; I26-I30 HydrophobicContact CG2-CG1 4.25Å; I26-I30 PolarHBondContact O-N 3.16Å; I26-W41 HydrophobicContact CG2-CZ2 4.44Å; I26-L238 HydrophobicContact CB-CD1 4.33Å; I26-L238 HydrophobicContact CG1-CD1 3.77Å
27V91.6Very high87.6Confident2 Ų243.6 Ų43.61%0.01222%0.22CC..Hα-helixtrans-59.6-36.5177.2175.70000111.4W23 A24 W41 T99 I102 A103W23-V27 PolarHBondContact O-N 2.93Å; W23-V27 VanDerWaalsContact O-N 3.09Å; A24-V27 PolarHBondContact O-N 2.94Å; V27-W41 HydrophobicContact CB-CD2 4.48Å; V27-W41 HydrophobicContact CB-CG 4.43Å; V27-W41 HydrophobicContact CG1-CB 4.03Å; V27-W41 HydrophobicContact CG1-CD2 4.22Å; V27-W41 HydrophobicContact CG1-CG 3.72Å; V27-W41 HydrophobicContact CG2-CD2 4.18Å; V27-W41 HydrophobicContact CG2-CE3 4.42Å; V27-W41 PolarHBondContact O-NE1 2.89Å; V27-T99 HydrophobicContact CG2-CG2 3.75Å; V27-I102 HydrophobicContact CB-CG2 3.98Å; V27-I102 HydrophobicContact CG1-CB 4.34Å; V27-I102 HydrophobicContact CG1-CG2 3.81Å; V27-I102 HydrophobicContact CG2-CD1 4.24Å; V27-I102 HydrophobicContact CG2-CG2 4.46Å; V27-A103 HydrophobicContact CG1-CB 4.38Å
28D86.4Confident87.6Confident0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-77.1-28.2179.1-92-5.1000114.8A24 P25 I26 R37 R38 T241 G424 T425A24-D28 PolarHBondContact O-N 2.86Å; P25-D28 PolarHBondContact O-N 3.05Å; I26-D28 PolarHBondContact O-N 3.4Å; D28-R37 VanDerWaalsContact O-CZ 3.25Å; D28-R37 PolarHBondContact O-NE 3.05Å; D28-R37 PolarHBondContact O-NH2 2.71Å; D28-R38 IonicContact OD1-CZ 2.82Å; D28-R38 IonicContact OD1-NH1 2.87Å; D28-R38 PolarHBondContact OD1-NH1 3.47Å; D28-R38 IonicContact OD1-NH2 3.76Å; D28-T241 HydrophobicContact CB-CG2 4.27Å; D28-G424 WeakPolarHBondContact OD1-CA 3.09Å; D28-G424 PolarHBondContact OD1-N 3.26Å; D28-G424 PolarHBondContact OD2-N 3.46Å; D28-T425 WeakPolarHBondContact CB-OG1 3.28Å; D28-T425 WeakPolarHBondContact OD2-CB 3.37Å; D28-T425 PolarHBondContact OD2-N 2.87Å; D28-T425 PolarHBondContact OD2-OG1 3.03Å
29S85.5Confident88Confident16 Ų1638.1 Ų38.111%0.11219%0.189CC..Hα-helixtrans-103.6-32.3-170.754.70000113.8P25 I26 V236 L238P25-S29 WeakPolarHBondContact O-CB 3.25Å; P25-S29 PolarHBondContact O-N 3.29Å; P25-S29 PolarHBondContact O-OG 3.13Å; I26-S29 PolarHBondContact O-N 3.02Å; I26-S29 PolarHBondContact O-OG 3Å; S29-V236 VanDerWaalsContact CB-O 3.29Å; S29-V236 WeakPolarHBondContact CB-O 3.45Å; S29-L238 WeakPolarHBondContact OG-CD1 3.21Å
30I89Confident88.2Confident95 Ų9535.1 Ų35.149%0.48717%0.174SC..  trans-99.4116.9179.8-54.6-173.5000108.4I26 W41I26-I30 HydrophobicContact CG2-CD1 3.79Å; I26-I30 HydrophobicContact CG2-CG1 4.25Å; I26-I30 PolarHBondContact O-N 3.16Å; I30-W41 PolarHBondContact O-NE1 3.32Å
31Y89.5Confident88.3Confident47 Ų4737.8 Ų37.818%0.18418%0.184CC..  trans-155.9164.4174.758.3-86.7000111.1N33 R37Y31-N33 WeakPolarHBondContact CE2-OD1 3.35Å; Y31-R37 HydrophobicContact CD1-CB 4.17Å; Y31-R37 HydrophobicContact CD1-CG 3.66Å; Y31-R37 HydrophobicContact CD2-CB 3.82Å; Y31-R37 HydrophobicContact CD2-CG 4.24Å; Y31-R37 HydrophobicContact CE1-CB 4.26Å; Y31-R37 HydrophobicContact CE1-CG 3.8Å; Y31-R37 HydrophobicContact CE2-CB 3.89Å; Y31-R37 HydrophobicContact CE2-CG 4.35Å; Y31-R37 HydrophobicContact CG-CB 3.95Å; Y31-R37 HydrophobicContact CG-CG 3.89Å
32I87.4Confident88.5Confident83 Ų8336.1 Ų36.143%0.42618%0.175SC..  trans-92.5109.5177.8-59.4171.2000107.5F34 I35 G36 T40I32-F34 HydrophobicContact CG2-CB 3.88Å; I32-F34 PolarHBondContact O-N 3.19Å; I32-I35 HydrophobicContact CB-CD1 4.42Å; I32-I35 HydrophobicContact CB-CG1 4.48Å; I32-I35 HydrophobicContact CD1-CD1 4.13Å; I32-I35 HydrophobicContact CG2-CD1 4.42Å; I32-I35 HydrophobicContact CG2-CG1 4.23Å; I32-I35 PolarHBondContact O-N 2.59Å; I32-G36 PolarHBondContact O-N 3.32Å; I32-T40 HydrophobicContact CB-CG2 4.19Å; I32-T40 HydrophobicContact CD1-CG2 4.19Å; I32-T40 HydrophobicContact CG1-CG2 4Å; I32-T40 PolarHBondContact N-OG1 2.94Å; I32-T40 PolarHBondContact O-OG1 3.46Å
33N80.4Confident88.7Confident77 Ų7731.2 Ų31.241%0.41215%0.149SC..THydrogen-bonded Turntrans-53.3-30.9178.3-71.3-9.8000112.9Y31Y31-N33 WeakPolarHBondContact CE2-OD1 3.35Å
34F83.4Confident88.8Confident96 Ų9633.5 Ų33.542%0.42116%0.163SC..THydrogen-bonded Turntrans-62.6-41.9177.9178.9-113.1000112.9I32 S193 T194 L195I32-F34 HydrophobicContact CG2-CB 3.88Å; I32-F34 PolarHBondContact O-N 3.19Å; F34-S193 PolarHBondContact O-OG 2.9Å; F34-T194 WeakPolarHBondContact CA-OG1 3.29Å; F34-T194 WeakPolarHBondContact CD2-OG1 3.37Å; F34-T194 PolarHBondContact O-N 3.18Å; F34-L195 HydrophobicContact CD1-CB 3.86Å; F34-L195 HydrophobicContact CD1-CD1 4.4Å; F34-L195 HydrophobicContact CD2-CB 4.16Å; F34-L195 HydrophobicContact CE1-CB 3.63Å; F34-L195 HydrophobicContact CE1-CD1 3.42Å; F34-L195 VanDerWaalsContact CE1-CD1 3.42Å; F34-L195 HydrophobicContact CE1-CD2 4.35Å; F34-L195 HydrophobicContact CE1-CG 3.96Å; F34-L195 HydrophobicContact CE2-CB 3.9Å; F34-L195 HydrophobicContact CE2-CD1 4.45Å; F34-L195 HydrophobicContact CG-CB 4.14Å; F34-L195 HydrophobicContact CZ-CB 3.63Å; F34-L195 HydrophobicContact CZ-CD1 3.44Å; F34-L195 VanDerWaalsContact CZ-CD1 3.44Å; F34-L195 HydrophobicContact CZ-CG 4.1Å; F34-L195 WeakPolarHBondContact O-CB 3.28Å; F34-L195 PolarHBondContact O-N 3.28Å
35I85.5Confident89Confident26 Ų2633.6 Ų33.613%0.13316%0.163CC..THydrogen-bonded Turntrans-86.1-36.1-177.1-62.3175.3000111.4I32 K39 I43 S193 L195I32-I35 HydrophobicContact CB-CD1 4.42Å; I32-I35 HydrophobicContact CB-CG1 4.48Å; I32-I35 HydrophobicContact CD1-CD1 4.13Å; I32-I35 HydrophobicContact CG2-CD1 4.42Å; I32-I35 HydrophobicContact CG2-CG1 4.23Å; I32-I35 PolarHBondContact O-N 2.59Å; I35-K39 HydrophobicContact CG2-CB 4.05Å; I35-K39 HydrophobicContact CG2-CD 4.21Å; I35-K39 HydrophobicContact CG2-CG 3.79Å; I35-I43 HydrophobicContact CG2-CD1 4.09Å; I35-S193 WeakPolarHBondContact O-CB 3.28Å; I35-S193 PolarHBondContact O-OG 3.13Å; I35-L195 HydrophobicContact CG1-CD2 4.1Å
36G84.8Confident89.2Confident5 Ų534.9 Ų34.95%0.05217%0.169CC..  trans116.5158-171.400000112I32 T40 E190I32-G36 PolarHBondContact O-N 3.32Å; G36-T40 VanDerWaalsContact O-CB 3.32Å; G36-T40 WeakPolarHBondContact O-CB 3.31Å; G36-T40 PolarHBondContact O-N 3.36Å; G36-T40 PolarHBondContact O-OG1 3.12Å; G36-E190 WeakPolarHBondContact CA-OE2 3.47Å
37R83.7Confident89.5Confident39 Ų3935.1 Ų35.115%0.14717%0.167CC..Hα-helixtrans-67.6-49.3-170.8178.1173.4-177.5-156.3-1.3112.3D28 Y31 E190 V421D28-R37 VanDerWaalsContact O-CZ 3.25Å; D28-R37 PolarHBondContact O-NE 3.05Å; D28-R37 PolarHBondContact O-NH2 2.71Å; Y31-R37 HydrophobicContact CD1-CB 4.17Å; Y31-R37 HydrophobicContact CD1-CG 3.66Å; Y31-R37 HydrophobicContact CD2-CB 3.82Å; Y31-R37 HydrophobicContact CD2-CG 4.24Å; Y31-R37 HydrophobicContact CE1-CB 4.26Å; Y31-R37 HydrophobicContact CE1-CG 3.8Å; Y31-R37 HydrophobicContact CE2-CB 3.89Å; Y31-R37 HydrophobicContact CE2-CG 4.35Å; Y31-R37 HydrophobicContact CG-CB 3.95Å; Y31-R37 HydrophobicContact CG-CG 3.89Å; R37-E190 PolarHBondContact N-OE1 3.19Å; R37-E190 PolarHBondContact N-OE2 3.22Å; R37-V421 PolarHBondContact NH1-O 3.33Å; R37-V421 PolarHBondContact NH2-O 2.95Å
38R87Confident89.8Confident8 Ų836.6 Ų36.63%0.0318%0.179CC..Hα-helixtrans-83.6-41.3-175.7-56.7-61.5178.1-148.96.7111.2D28 T40 L42 W107 E190 P420D28-R38 IonicContact OD1-CZ 2.82Å; D28-R38 IonicContact OD1-NH1 2.87Å; D28-R38 PolarHBondContact OD1-NH1 3.47Å; D28-R38 IonicContact OD1-NH2 3.76Å; R38-T40 VanDerWaalsContact C-N 3.29Å; R38-T40 PolarHBondContact O-N 3.08Å; R38-L42 PolarHBondContact O-N 3.38Å; R38-W107 HydrophobicContact CB-CB 3.81Å; R38-W107 HydrophobicContact CB-CD2 4.14Å; R38-W107 HydrophobicContact CB-CG 3.61Å; R38-W107 HydrophobicContact CG-CB 4.05Å; R38-W107 HydrophobicContact CG-CG 4.07Å; R38-E190 PolarHBondContact N-OE1 2.95Å; R38-E190 PolarHBondContact N-OE2 3.24Å; R38-P420 PolarHBondContact NH2-O 2.67Å
39K89.1Confident90.3Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-63.6-31.4-178.7-173.7174.3174.1-1750112.6I35 I43 L185 K188 E190 D196I35-K39 HydrophobicContact CG2-CB 4.05Å; I35-K39 HydrophobicContact CG2-CD 4.21Å; I35-K39 HydrophobicContact CG2-CG 3.79Å; K39-I43 HydrophobicContact CD-CD1 4.14Å; K39-I43 HydrophobicContact CG-CD1 3.41Å; K39-I43 VanDerWaalsContact CG-CD1 3.41Å; K39-I43 HydrophobicContact CG-CG1 4.16Å; K39-I43 WeakPolarHBondContact O-CB 3.18Å; K39-I43 VanDerWaalsContact O-CG1 3.3Å; K39-I43 WeakPolarHBondContact O-CG1 2.95Å; K39-I43 PolarHBondContact O-N 3.39Å; K39-L185 WeakPolarHBondContact CE-O 3.43Å; K39-L185 PolarHBondContact NZ-O 3.39Å; K39-K188 VanDerWaalsContact CE-O 3.27Å; K39-K188 WeakPolarHBondContact CE-O 3.28Å; K39-K188 PolarHBondContact NZ-O 3.03Å; K39-E190 HydrophobicContact CB-CB 4.49Å; K39-E190 WeakPolarHBondContact CB-OE2 3.27Å; K39-E190 HydrophobicContact CD-CB 4.5Å; K39-E190 PolarHBondContact N-OE2 3.41Å; K39-D196 IonicContact NZ-OD1 3.94Å; K39-D196 PolarHBondContact NZ-OD1 2.98Å; K39-D196 IonicContact NZ-OD2 3.8Å
40T92.6Very high90.9Very high3 Ų336 Ų362%0.01818%0.175CC..Hα-helixtrans-53.2-60176.8-68.10000112.2I32 G36 R38 I43 I44I32-T40 HydrophobicContact CB-CG2 4.19Å; I32-T40 HydrophobicContact CD1-CG2 4.19Å; I32-T40 HydrophobicContact CG1-CG2 4Å; I32-T40 PolarHBondContact N-OG1 2.94Å; I32-T40 PolarHBondContact O-OG1 3.46Å; G36-T40 VanDerWaalsContact O-CB 3.32Å; G36-T40 WeakPolarHBondContact O-CB 3.31Å; G36-T40 PolarHBondContact O-N 3.36Å; G36-T40 PolarHBondContact O-OG1 3.12Å; R38-T40 VanDerWaalsContact C-N 3.29Å; R38-T40 PolarHBondContact O-N 3.08Å; T40-I43 PolarHBondContact O-N 3.02Å; T40-I44 HydrophobicContact CG2-CD1 3.69Å; T40-I44 VanDerWaalsContact O-CG1 3.27Å; T40-I44 WeakPolarHBondContact O-CG1 3.41Å; T40-I44 PolarHBondContact O-N 3.12Å; T40-I44 VanDerWaalsContact O-N 3.11Å
41W93Very high91.2Very high57 Ų5736 Ų3622%0.21618%0.175CC..Hα-helixtrans-71.3-34.9-175.2-78.2101000113.1I26 V27 I30 I43 T45 T99 A103I26-W41 HydrophobicContact CG2-CZ2 4.44Å; V27-W41 HydrophobicContact CB-CD2 4.48Å; V27-W41 HydrophobicContact CB-CG 4.43Å; V27-W41 HydrophobicContact CG1-CB 4.03Å; V27-W41 HydrophobicContact CG1-CD2 4.22Å; V27-W41 HydrophobicContact CG1-CG 3.72Å; V27-W41 HydrophobicContact CG2-CD2 4.18Å; V27-W41 HydrophobicContact CG2-CE3 4.42Å; V27-W41 PolarHBondContact O-NE1 2.89Å; I30-W41 PolarHBondContact O-NE1 3.32Å; W41-I43 VanDerWaalsContact C-N 3.34Å; W41-I43 PolarHBondContact O-N 3.3Å; W41-T45 HydrophobicContact CE3-CG2 4.47Å; W41-T45 WeakPolarHBondContact O-CB 3.41Å; W41-T45 VanDerWaalsContact O-CG2 3.27Å; W41-T45 WeakPolarHBondContact O-CG2 3.41Å; W41-T45 PolarHBondContact O-N 2.9Å; W41-T45 PolarHBondContact O-OG1 3.23Å; W41-T99 HydrophobicContact CE3-CG2 3.76Å; W41-T99 HydrophobicContact CZ3-CG2 4.12Å; W41-A103 HydrophobicContact CB-CB 4.01Å
42L92.8Very high91.6Very high6 Ų635.5 Ų35.53%0.03117%0.174CC..Hα-helixtrans-60.5-44.2176.4-173136.2000111.7R38 T45 Q46 V104 W107 L184R38-L42 PolarHBondContact O-N 3.38Å; L42-T45 PolarHBondContact O-OG1 2.7Å; L42-Q46 WeakPolarHBondContact O-CB 3.36Å; L42-Q46 WeakPolarHBondContact O-CG 3.39Å; L42-Q46 PolarHBondContact O-N 3.39Å; L42-V104 HydrophobicContact CD1-CG2 3.51Å; L42-W107 HydrophobicContact CD1-CE3 3.85Å; L42-W107 HydrophobicContact CD1-CZ3 3.87Å; L42-W107 HydrophobicContact CD2-CZ3 4.29Å; L42-L184 HydrophobicContact CD2-CD1 3.58Å; L42-L184 HydrophobicContact CD2-CD2 3.62Å; L42-L184 HydrophobicContact CD2-CG 4.27Å
43I93.8Very high92Very high8 Ų832.3 Ų32.34%0.04116%0.158CC..Hα-helixtrans-70.8-45.3179.9-69169.7000111.4I35 K39 T40 W41 T45 Q46 Y47 N181 L184 L185I35-I43 HydrophobicContact CG2-CD1 4.09Å; K39-I43 HydrophobicContact CD-CD1 4.14Å; K39-I43 HydrophobicContact CG-CD1 3.41Å; K39-I43 VanDerWaalsContact CG-CD1 3.41Å; K39-I43 HydrophobicContact CG-CG1 4.16Å; K39-I43 WeakPolarHBondContact O-CB 3.18Å; K39-I43 VanDerWaalsContact O-CG1 3.3Å; K39-I43 WeakPolarHBondContact O-CG1 2.95Å; K39-I43 PolarHBondContact O-N 3.39Å; T40-I43 PolarHBondContact O-N 3.02Å; W41-I43 VanDerWaalsContact C-N 3.34Å; W41-I43 PolarHBondContact O-N 3.3Å; I43-T45 PolarHBondContact O-N 2.86Å; I43-Q46 PolarHBondContact O-N 3.35Å; I43-Y47 HydrophobicContact CG2-CD2 3.7Å; I43-Y47 HydrophobicContact CG2-CE2 3.56Å; I43-Y47 WeakPolarHBondContact O-CD2 3.45Å; I43-Y47 PolarHBondContact O-N 3.38Å; I43-N181 WeakPolarHBondContact CA-OD1 3.4Å; I43-N181 PolarHBondContact O-ND2 3.05Å; I43-L184 HydrophobicContact CG1-CD2 4.25Å; I43-L185 HydrophobicContact CD1-CB 3.93Å; I43-L185 HydrophobicContact CD1-CD1 3.52Å; I43-L185 HydrophobicContact CD1-CG 4.3Å
44I95.2Very high92.8Very high80 Ų8030.5 Ų30.541%0.4115%0.148SC..Hα-helixtrans-59.9-49.6-179.8-69.7169.1000110T40 Q46 Y47 A48T40-I44 HydrophobicContact CG2-CD1 3.69Å; T40-I44 VanDerWaalsContact O-CG1 3.27Å; T40-I44 WeakPolarHBondContact O-CG1 3.41Å; T40-I44 PolarHBondContact O-N 3.12Å; T40-I44 VanDerWaalsContact O-N 3.11Å; I44-Q46 PolarHBondContact O-N 2.66Å; I44-Y47 PolarHBondContact O-N 3.02Å; I44-A48 WeakPolarHBondContact O-CB 3.37Å; I44-A48 PolarHBondContact O-N 2.82Å
45T96Very high93.4Very high2 Ų229 Ų291%0.01215%0.147CC..Hα-helixtrans-65.5-39.2-179.653.10000112.3W41 L42 I43 A48 I49 T99W41-T45 HydrophobicContact CE3-CG2 4.47Å; W41-T45 WeakPolarHBondContact O-CB 3.41Å; W41-T45 VanDerWaalsContact O-CG2 3.27Å; W41-T45 WeakPolarHBondContact O-CG2 3.41Å; W41-T45 PolarHBondContact O-N 2.9Å; W41-T45 PolarHBondContact O-OG1 3.23Å; L42-T45 PolarHBondContact O-OG1 2.7Å; I43-T45 PolarHBondContact O-N 2.86Å; T45-A48 PolarHBondContact O-N 2.87Å; T45-I49 WeakPolarHBondContact O-CB 3.39Å; T45-I49 WeakPolarHBondContact O-CD1 3.23Å; T45-I49 VanDerWaalsContact O-CG1 3.22Å; T45-I49 WeakPolarHBondContact O-CG1 3.36Å; T45-I49 PolarHBondContact O-N 2.7Å; T45-T99 HydrophobicContact CG2-CG2 3.61Å
46Q95.6Very high93.9Very high27 Ų2727.8 Ų27.813%0.12614%0.14CC..Hα-helixtrans-64-43176.9-82.5-169.116.700113.2L42 I43 I44 I49 G50 F177 N181L42-Q46 WeakPolarHBondContact O-CB 3.36Å; L42-Q46 WeakPolarHBondContact O-CG 3.39Å; L42-Q46 PolarHBondContact O-N 3.39Å; I43-Q46 PolarHBondContact O-N 3.35Å; I44-Q46 PolarHBondContact O-N 2.66Å; Q46-I49 PolarHBondContact O-N 3.22Å; Q46-G50 PolarHBondContact O-N 3.22Å; Q46-F177 HydrophobicContact CG-CD1 4.45Å; Q46-N181 HydrophobicContact CB-CB 3.83Å; Q46-N181 WeakPolarHBondContact CB-ND2 3.33Å; Q46-N181 VanDerWaalsContact OE1-CB 3.26Å; Q46-N181 PolarHBondContact OE1-OD1 3.43Å
47Y97.6Very high94.4Very high61 Ų6127.6 Ų27.624%0.23914%0.138CC..Hα-helixtrans-64.8-43.1175.1-80.3-52.5000111.2I43 I44 I49 G50 I51 V178 N181 T182I43-Y47 HydrophobicContact CG2-CD2 3.7Å; I43-Y47 HydrophobicContact CG2-CE2 3.56Å; I43-Y47 WeakPolarHBondContact O-CD2 3.45Å; I43-Y47 PolarHBondContact O-N 3.38Å; I44-Y47 PolarHBondContact O-N 3.02Å; Y47-I49 VanDerWaalsContact C-N 3.33Å; Y47-I49 PolarHBondContact O-N 3.3Å; Y47-G50 PolarHBondContact O-N 3.11Å; Y47-I51 WeakPolarHBondContact O-CB 2.97Å; Y47-I51 VanDerWaalsContact O-CG1 3.27Å; Y47-I51 WeakPolarHBondContact O-CG1 3.2Å; Y47-I51 PolarHBondContact O-N 2.74Å; Y47-V178 HydrophobicContact CD1-CG1 4.32Å; Y47-V178 HydrophobicContact CD1-CG2 4.46Å; Y47-V178 HydrophobicContact CE1-CG1 4.02Å; Y47-N181 HydrophobicContact CD1-CB 4.43Å; Y47-N181 WeakPolarHBondContact CD1-ND2 3.33Å; Y47-N181 WeakPolarHBondContact CD2-ND2 3.29Å; Y47-N181 HydrophobicContact CE1-CB 4.17Å; Y47-N181 WeakPolarHBondContact CE2-ND2 3.37Å; Y47-N181 PolarHBondContact N-ND2 3.35Å; Y47-T182 WeakPolarHBondContact OH-CA 3.48Å; Y47-T182 PolarHBondContact OH-OG1 2.84Å
48A97.5Very high94.9Very high32 Ų3228.8 Ų28.826%0.26415%0.153SC..Hα-helixtrans-60.1-42.817700000111.8I44 T45 I51 E52 L96I44-A48 WeakPolarHBondContact O-CB 3.37Å; I44-A48 PolarHBondContact O-N 2.82Å; T45-A48 PolarHBondContact O-N 2.87Å; A48-I51 PolarHBondContact O-N 3.11Å; A48-E52 VanDerWaalsContact O-CB 3.3Å; A48-E52 WeakPolarHBondContact O-CB 3.22Å; A48-E52 PolarHBondContact O-N 2.87Å; A48-L96 HydrophobicContact CB-CD1 3.69Å; A48-L96 HydrophobicContact CB-CD2 3.72Å; A48-L96 HydrophobicContact CB-CG 4.33Å
49I97.5Very high95.2Very high3 Ų334.1 Ų34.12%0.01517%0.174CC..Hα-helixtrans-61.7-48.1174.5-71.1161.8000110.6T45 Q46 Y47 I51 E52 L53 L93 L96 T97 F177T45-I49 WeakPolarHBondContact O-CB 3.39Å; T45-I49 WeakPolarHBondContact O-CD1 3.23Å; T45-I49 VanDerWaalsContact O-CG1 3.22Å; T45-I49 WeakPolarHBondContact O-CG1 3.36Å; T45-I49 PolarHBondContact O-N 2.7Å; Q46-I49 PolarHBondContact O-N 3.22Å; Y47-I49 VanDerWaalsContact C-N 3.33Å; Y47-I49 PolarHBondContact O-N 3.3Å; I49-I51 VanDerWaalsContact C-N 3.35Å; I49-I51 PolarHBondContact O-N 3.46Å; I49-E52 PolarHBondContact O-N 3.34Å; I49-L53 HydrophobicContact CG2-CD1 4.06Å; I49-L53 HydrophobicContact CG2-CG 4.43Å; I49-L53 VanDerWaalsContact O-CG 3.29Å; I49-L53 WeakPolarHBondContact O-CG 3.3Å; I49-L53 PolarHBondContact O-N 3.49Å; I49-L93 HydrophobicContact CB-CD1 4.46Å; I49-L93 HydrophobicContact CG1-CD1 4.39Å; I49-L93 HydrophobicContact CG2-CD1 3.95Å; I49-L96 HydrophobicContact CD1-CB 4.12Å; I49-L96 HydrophobicContact CG1-CB 3.6Å; I49-L96 HydrophobicContact CG1-CD1 4.15Å; I49-T97 HydrophobicContact CD1-CG2 3.7Å; I49-T97 HydrophobicContact CG1-CG2 4.3Å; I49-F177 HydrophobicContact CB-CD1 4.36Å; I49-F177 HydrophobicContact CB-CE1 4.48Å; I49-F177 HydrophobicContact CG2-CD1 3.87Å; I49-F177 HydrophobicContact CG2-CD2 4.46Å; I49-F177 HydrophobicContact CG2-CE1 3.79Å; I49-F177 HydrophobicContact CG2-CE2 4.4Å; I49-F177 HydrophobicContact CG2-CG 4.22Å; I49-F177 HydrophobicContact CG2-CZ 4.07Å
50G97.1Very high95.5Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-57.6-47.5178.700000111.9Q46 Y47 L53 L54Q46-G50 PolarHBondContact O-N 3.22Å; Y47-G50 PolarHBondContact O-N 3.11Å; G50-L53 PolarHBondContact O-N 3.07Å; G50-L54 WeakPolarHBondContact O-CG 3Å; G50-L54 PolarHBondContact O-N 3.2Å; G50-L54 VanDerWaalsContact O-N 3.11Å
51I96.7Very high95.5Very high95 Ų9535.8 Ų35.849%0.48718%0.182SC..Hα-helixtrans-64.1-46.2177.7-66.5164.1000111Y47 A48 I49 L53 L54 V55Y47-I51 WeakPolarHBondContact O-CB 2.97Å; Y47-I51 VanDerWaalsContact O-CG1 3.27Å; Y47-I51 WeakPolarHBondContact O-CG1 3.2Å; Y47-I51 PolarHBondContact O-N 2.74Å; A48-I51 PolarHBondContact O-N 3.11Å; I49-I51 VanDerWaalsContact C-N 3.35Å; I49-I51 PolarHBondContact O-N 3.46Å; I51-L53 VanDerWaalsContact C-N 3.27Å; I51-L53 PolarHBondContact O-N 3.22Å; I51-L54 WeakPolarHBondContact O-CB 3.42Å; I51-L54 PolarHBondContact O-N 3.34Å; I51-V55 HydrophobicContact CG2-CG2 4.35Å; I51-V55 WeakPolarHBondContact O-CG2 3.32Å; I51-V55 PolarHBondContact O-N 3.05Å
52E96.5Very high95.6Very high38 Ų3837.1 Ų37.118%0.17819%0.194CC..Hα-helixtrans-59.3-39.5178.2-172.466.1-171.200111.3A48 I49 V55 L56 T89 L93A48-E52 VanDerWaalsContact O-CB 3.3Å; A48-E52 WeakPolarHBondContact O-CB 3.22Å; A48-E52 PolarHBondContact O-N 2.87Å; I49-E52 PolarHBondContact O-N 3.34Å; E52-V55 PolarHBondContact O-N 3.22Å; E52-L56 WeakPolarHBondContact O-CB 3.26Å; E52-L56 PolarHBondContact O-N 2.62Å; E52-T89 HydrophobicContact CG-CG2 4.35Å; E52-T89 WeakPolarHBondContact OE1-CG2 3.45Å; E52-L93 HydrophobicContact CB-CD1 4.41Å; E52-L93 HydrophobicContact CG-CD1 4.32Å
53L97Very high95.7Very high16 Ų1638.7 Ų38.78%0.08420%0.199CC..Hα-helixtrans-64.5-38.5174.6-70.5173.8000112.4I49 G50 I51 A57 L93 L170 W173 F177I49-L53 HydrophobicContact CG2-CD1 4.06Å; I49-L53 HydrophobicContact CG2-CG 4.43Å; I49-L53 VanDerWaalsContact O-CG 3.29Å; I49-L53 WeakPolarHBondContact O-CG 3.3Å; I49-L53 PolarHBondContact O-N 3.49Å; G50-L53 PolarHBondContact O-N 3.07Å; I51-L53 VanDerWaalsContact C-N 3.27Å; I51-L53 PolarHBondContact O-N 3.22Å; L53-A57 WeakPolarHBondContact O-CB 3.46Å; L53-A57 PolarHBondContact O-N 2.85Å; L53-L93 HydrophobicContact CD2-CD1 4.24Å; L53-L93 HydrophobicContact CD2-CD2 4.17Å; L53-L93 HydrophobicContact CG-CD1 4.32Å; L53-L170 HydrophobicContact CD2-CD2 3.92Å; L53-W173 HydrophobicContact CD1-CB 4.3Å; L53-F177 HydrophobicContact CD1-CD2 4.01Å; L53-F177 HydrophobicContact CD1-CE2 4.27Å
54L96.5Very high95.6Very high38 Ų3839.8 Ų39.820%0.19920%0.204CC..Hα-helixtrans-66.7-42.7175.6-63.4174.9000111.3G50 I51 A57 Y171 F175G50-L54 WeakPolarHBondContact O-CG 3Å; G50-L54 PolarHBondContact O-N 3.2Å; G50-L54 VanDerWaalsContact O-N 3.11Å; I51-L54 WeakPolarHBondContact O-CB 3.42Å; I51-L54 PolarHBondContact O-N 3.34Å; L54-A57 PolarHBondContact O-N 2.94Å; L54-Y171 HydrophobicContact CB-CD1 4.41Å; L54-Y171 HydrophobicContact CB-CE1 4.41Å; L54-Y171 HydrophobicContact CD2-CD1 3.59Å; L54-Y171 HydrophobicContact CD2-CE1 4.27Å; L54-Y171 VanDerWaalsContact O-CE1 3.3Å; L54-Y171 WeakPolarHBondContact O-CE1 3.19Å; L54-F175 HydrophobicContact CD1-CE1 4.37Å; L54-F175 HydrophobicContact CD2-CD1 4.36Å; L54-F175 HydrophobicContact CD2-CD2 3.8Å; L54-F175 HydrophobicContact CD2-CE1 4.33Å; L54-F175 HydrophobicContact CD2-CE2 3.75Å; L54-F175 HydrophobicContact CD2-CG 4.1Å; L54-F175 HydrophobicContact CD2-CZ 4.03Å
55V95.6Very high95.5Very high65 Ų6536 Ų3639%0.39418%0.184SC..Hα-helixtrans-65-48.3175.7177.10000110I51 E52 A57 S58 Y59I51-V55 HydrophobicContact CG2-CG2 4.35Å; I51-V55 WeakPolarHBondContact O-CG2 3.32Å; I51-V55 PolarHBondContact O-N 3.05Å; E52-V55 PolarHBondContact O-N 3.22Å; V55-A57 VanDerWaalsContact C-N 3.27Å; V55-A57 PolarHBondContact O-N 3.38Å; V55-S58 PolarHBondContact O-N 3.09Å; V55-S58 PolarHBondContact O-OG 3.05Å; V55-Y59 HydrophobicContact CG1-CD2 4.07Å; V55-Y59 HydrophobicContact CG1-CE2 3.92Å; V55-Y59 VanDerWaalsContact O-CD2 3.3Å; V55-Y59 WeakPolarHBondContact O-CD2 3.27Å
56L95.7Very high95.3Very high1 Ų136.5 Ų36.51%0.00519%0.186CC..Hα-helixtrans-56.8-42178.7-177.457.1000111.7E52 S58 Y59 I60 W63 T89 F90 L170E52-L56 WeakPolarHBondContact O-CB 3.26Å; E52-L56 PolarHBondContact O-N 2.62Å; L56-S58 PolarHBondContact O-N 3.23Å; L56-Y59 PolarHBondContact O-N 3.31Å; L56-Y59 VanDerWaalsContact O-N 3.1Å; L56-I60 HydrophobicContact CD1-CB 4.2Å; L56-I60 HydrophobicContact CD1-CD1 3.49Å; L56-I60 VanDerWaalsContact CD1-CD1 3.49Å; L56-I60 HydrophobicContact CD1-CG1 4.4Å; L56-I60 HydrophobicContact CD2-CD1 4.4Å; L56-I60 HydrophobicContact CG-CB 4.38Å; L56-I60 HydrophobicContact CG-CD1 4.01Å; L56-I60 VanDerWaalsContact O-CB 3.3Å; L56-I60 WeakPolarHBondContact O-CB 3.44Å; L56-I60 PolarHBondContact O-N 3.18Å; L56-W63 HydrophobicContact CD1-CE3 4.07Å; L56-W63 HydrophobicContact CD1-CZ3 3.65Å; L56-T89 HydrophobicContact CB-CG2 4.18Å; L56-T89 HydrophobicContact CD1-CG2 3.51Å; L56-T89 HydrophobicContact CD2-CG2 4.02Å; L56-T89 HydrophobicContact CG-CG2 4.1Å; L56-F90 HydrophobicContact CD2-CE2 3.96Å; L56-F90 HydrophobicContact CD2-CZ 4.11Å; L56-L170 HydrophobicContact CB-CD1 4.5Å; L56-L170 HydrophobicContact CD2-CD1 4.11Å; L56-L170 HydrophobicContact CD2-CD2 4.49Å; L56-L170 HydrophobicContact CG-CD1 3.92Å
57A95.5Very high95Very high1 Ų137.4 Ų37.41%0.00819%0.192CC..Hα-helixtrans-54.2-37.7176.500000112L53 L54 V55 Y59 S166 L170 Y171L53-A57 WeakPolarHBondContact O-CB 3.46Å; L53-A57 PolarHBondContact O-N 2.85Å; L54-A57 PolarHBondContact O-N 2.94Å; V55-A57 VanDerWaalsContact C-N 3.27Å; V55-A57 PolarHBondContact O-N 3.38Å; A57-Y59 VanDerWaalsContact C-N 3.33Å; A57-Y59 PolarHBondContact O-N 3.43Å; A57-S166 WeakPolarHBondContact O-CB 3.33Å; A57-S166 PolarHBondContact O-OG 2.89Å; A57-L170 HydrophobicContact CB-CB 3.74Å; A57-L170 HydrophobicContact CB-CD1 4.47Å; A57-Y171 HydrophobicContact CB-CD1 3.5Å; A57-Y171 VanDerWaalsContact CB-CD1 3.5Å; A57-Y171 HydrophobicContact CB-CD2 4.23Å; A57-Y171 HydrophobicContact CB-CE1 3.56Å; A57-Y171 HydrophobicContact CB-CE2 4.23Å; A57-Y171 HydrophobicContact CB-CG 3.84Å
58S93.5Very high94.6Very high64 Ų6439.3 Ų39.345%0.44821%0.211SC..Hα-helixtrans-72.7-18.7-178.665.90000115.3V55 L56V55-S58 PolarHBondContact O-N 3.09Å; V55-S58 PolarHBondContact O-OG 3.05Å; L56-S58 PolarHBondContact O-N 3.23Å
59Y94.4Very high94.2Very high120 Ų12044.9 Ų44.947%0.47124%0.237SC..Hα-helixtrans-119-17.5-175.7-62.1-74.4000114.7V55 L56 A57 D61 D62 W63V55-Y59 HydrophobicContact CG1-CD2 4.07Å; V55-Y59 HydrophobicContact CG1-CE2 3.92Å; V55-Y59 VanDerWaalsContact O-CD2 3.3Å; V55-Y59 WeakPolarHBondContact O-CD2 3.27Å; L56-Y59 PolarHBondContact O-N 3.31Å; L56-Y59 VanDerWaalsContact O-N 3.1Å; A57-Y59 VanDerWaalsContact C-N 3.33Å; A57-Y59 PolarHBondContact O-N 3.43Å; Y59-D61 VanDerWaalsContact C-N 3.32Å; Y59-D61 PolarHBondContact O-N 3Å; Y59-D62 PolarHBondContact O-N 3.25Å; Y59-W63 HydrophobicContact CD2-CZ2 4.49Å; Y59-W63 HydrophobicContact CG-CZ2 4.03Å; Y59-W63 PolarHBondContact O-N 3.45Å
60I94.9Very high93.8Very high0 Ų051.2 Ų51.20%026%0.264CS..Hα-helixtrans-60.9-37-168.3-165.677.7000113.8L56 D62 W63 F64 L86 F90 F165 L170L56-I60 HydrophobicContact CD1-CB 4.2Å; L56-I60 HydrophobicContact CD1-CD1 3.49Å; L56-I60 VanDerWaalsContact CD1-CD1 3.49Å; L56-I60 HydrophobicContact CD1-CG1 4.4Å; L56-I60 HydrophobicContact CD2-CD1 4.4Å; L56-I60 HydrophobicContact CG-CB 4.38Å; L56-I60 HydrophobicContact CG-CD1 4.01Å; L56-I60 VanDerWaalsContact O-CB 3.3Å; L56-I60 WeakPolarHBondContact O-CB 3.44Å; L56-I60 PolarHBondContact O-N 3.18Å; I60-D62 VanDerWaalsContact C-N 3.34Å; I60-W63 PolarHBondContact O-N 2.61Å; I60-F64 HydrophobicContact CD1-CE1 3.93Å; I60-F64 HydrophobicContact CD1-CE2 4.28Å; I60-F64 HydrophobicContact CD1-CZ 3.81Å; I60-F64 HydrophobicContact CG1-CD1 4.46Å; I60-F64 HydrophobicContact CG1-CD2 3.99Å; I60-F64 HydrophobicContact CG1-CE1 4.11Å; I60-F64 HydrophobicContact CG1-CE2 3.62Å; I60-F64 HydrophobicContact CG1-CG 4.42Å; I60-F64 HydrophobicContact CG1-CZ 3.68Å; I60-F64 WeakPolarHBondContact O-CB 3.14Å; I60-F64 VanDerWaalsContact O-CG 3.27Å; I60-F64 WeakPolarHBondContact O-CG 3.42Å; I60-F64 PolarHBondContact O-N 3.28Å; I60-L86 HydrophobicContact CD1-CD2 3.42Å; I60-L86 VanDerWaalsContact CD1-CD2 3.42Å; I60-F90 HydrophobicContact CD1-CE2 4.13Å; I60-F165 HydrophobicContact CD1-CE1 4.28Å; I60-F165 HydrophobicContact CG1-CD1 3.9Å; I60-F165 HydrophobicContact CG1-CE1 3.76Å; I60-F165 HydrophobicContact CG2-CD1 4.19Å; I60-L170 HydrophobicContact CB-CD1 4.25Å; I60-L170 HydrophobicContact CG1-CD1 4.41Å; I60-L170 HydrophobicContact CG2-CD1 3.9Å
61D93.7Very high93.2Very high38 Ų3852.7 Ų52.720%0.20328%0.276CS..Hα-helixtrans-69.6-36-176.8-72.7-25.9000111.2Y59 G65 R66 S166Y59-D61 VanDerWaalsContact C-N 3.32Å; Y59-D61 PolarHBondContact O-N 3Å; D61-G65 PolarHBondContact O-N 3.45Å; D61-R66 WeakPolarHBondContact O-CB 3.31Å; D61-R66 PolarHBondContact O-N 2.6Å; D61-R66 IonicContact OD1-CZ 2.62Å; D61-R66 IonicContact OD1-NH1 2.6Å; D61-R66 PolarHBondContact OD1-NH1 2.9Å; D61-S166 WeakPolarHBondContact OD2-CB 3.36Å
62D94.2Very high92.8Very high84 Ų8451.2 Ų51.245%0.44927%0.265SS..Hα-helixtrans-67.1-48.8172.3-173.164.4000110.4Y59 I60 F64 G65 H79Y59-D62 PolarHBondContact O-N 3.25Å; I60-D62 VanDerWaalsContact C-N 3.34Å; D62-F64 PolarHBondContact O-N 2.84Å; D62-G65 VanDerWaalsContact O-CA 3.29Å; D62-G65 WeakPolarHBondContact O-CA 3.5Å; D62-G65 PolarHBondContact O-N 2.73Å; D62-H79 PolarHBondContact O-CE1 2.78Å; D62-H79 PolarHBondContact O-NE2 2.96Å; D62-H79 IonicContact OD1-NE2 3.86Å
63W94.6Very high92.4Very high40 Ų4050.4 Ų50.415%0.15226%0.263CS..Hα-helixtrans-65.3-25.9178.4-62-14.9000114L56 Y59 I60 G65 D82 P85 L86 T89L56-W63 HydrophobicContact CD1-CE3 4.07Å; L56-W63 HydrophobicContact CD1-CZ3 3.65Å; Y59-W63 HydrophobicContact CD2-CZ2 4.49Å; Y59-W63 HydrophobicContact CG-CZ2 4.03Å; Y59-W63 PolarHBondContact O-N 3.45Å; I60-W63 PolarHBondContact O-N 2.61Å; W63-G65 PolarHBondContact O-N 3.2Å; W63-D82 HydrophobicContact CB-CB 4.33Å; W63-D82 PolarHBondContact O-N 3.3Å; W63-P85 HydrophobicContact CD2-CB 3.86Å; W63-P85 HydrophobicContact CD2-CG 4.09Å; W63-P85 HydrophobicContact CE3-CB 4.16Å; W63-P85 HydrophobicContact CG-CB 4.39Å; W63-P85 HydrophobicContact CG-CG 4.09Å; W63-P85 HydrophobicContact CH2-CB 4.15Å; W63-P85 HydrophobicContact CZ2-CB 3.85Å; W63-P85 HydrophobicContact CZ3-CB 4.29Å; W63-L86 HydrophobicContact CB-CD1 4.42Å; W63-L86 HydrophobicContact CB-CD2 4.32Å; W63-L86 HydrophobicContact CB-CG 4.05Å; W63-L86 HydrophobicContact CE3-CD2 4.22Å; W63-L86 HydrophobicContact CE3-CG 4.4Å; W63-T89 HydrophobicContact CZ3-CG2 4.38Å; W63-T89 WeakPolarHBondContact CZ3-OG1 3.32Å
64F93Very high91.9Very high30 Ų3057.7 Ų57.713%0.13230%0.297CS..THydrogen-bonded Turntrans-73.6-6.9168.8-76.9-13000113.6I60 D62 R66 L75 G76 L86 F165I60-F64 HydrophobicContact CD1-CE1 3.93Å; I60-F64 HydrophobicContact CD1-CE2 4.28Å; I60-F64 HydrophobicContact CD1-CZ 3.81Å; I60-F64 HydrophobicContact CG1-CD1 4.46Å; I60-F64 HydrophobicContact CG1-CD2 3.99Å; I60-F64 HydrophobicContact CG1-CE1 4.11Å; I60-F64 HydrophobicContact CG1-CE2 3.62Å; I60-F64 HydrophobicContact CG1-CG 4.42Å; I60-F64 HydrophobicContact CG1-CZ 3.68Å; I60-F64 WeakPolarHBondContact O-CB 3.14Å; I60-F64 VanDerWaalsContact O-CG 3.27Å; I60-F64 WeakPolarHBondContact O-CG 3.42Å; I60-F64 PolarHBondContact O-N 3.28Å; D62-F64 PolarHBondContact O-N 2.84Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 HydrophobicContact CB-CG 4.15Å; F64-L75 HydrophobicContact CB-CG 4.13Å; F64-L75 HydrophobicContact CD1-CD2 4.24Å; F64-L75 HydrophobicContact CG-CD2 4.34Å; F64-L75 HydrophobicContact CG-CG 4.22Å; F64-G76 PolarHBondContact O-N 3.45Å; F64-L86 HydrophobicContact CD1-CD1 3.95Å; F64-L86 HydrophobicContact CD1-CD2 4.12Å; F64-L86 HydrophobicContact CE1-CD1 4.07Å; F64-L86 HydrophobicContact CE1-CD2 3.73Å; F64-F165 HydrophobicContact CD2-CD1 4.49Å; F64-F165 AromaticContact CE2-CD1 3.5Å; F64-F165 HydrophobicContact CE2-CD1 3.5Å; F64-F165 VanDerWaalsContact CE2-CD1 3.5Å; F64-F165 AromaticContact CE2-CE1 3.71Å; F64-F165 HydrophobicContact CE2-CE1 3.71Å; F64-F165 HydrophobicContact CE2-CG 4.48Å; F64-F165 HydrophobicContact CZ-CD1 4.1Å; F64-F165 AromaticContact CZ-CE1 3.81Å; F64-F165 HydrophobicContact CZ-CE1 3.81Å
65G92Very high91.5Very high0 Ų060.8 Ų60.80%031%0.313CS..THydrogen-bonded Turntrans64.236.9-177.200000111.9D61 D62 W63 G76 S77 H78 H79D61-G65 PolarHBondContact O-N 3.45Å; D62-G65 VanDerWaalsContact O-CA 3.29Å; D62-G65 WeakPolarHBondContact O-CA 3.5Å; D62-G65 PolarHBondContact O-N 2.73Å; W63-G65 PolarHBondContact O-N 3.2Å; G65-G76 CarbonylContact O-C 3.49Å; G65-G76 PolarHBondContact O-N 2.72Å; G65-S77 PolarHBondContact O-N 3.18Å; G65-S77 PolarHBondContact O-OG 2.85Å; G65-H78 PolarHBondContact O-N 2.98Å; G65-H79 WeakPolarHBondContact CA-O 3.45Å
66R91.7Very high91.1Very high13 Ų1359.3 Ų59.35%0.04931%0.311CS..  trans-81.2153.6176.4-69.8-168.1-164.8147.67.8111.4D61 F64 P68 A71 S73 H78D61-R66 WeakPolarHBondContact O-CB 3.31Å; D61-R66 PolarHBondContact O-N 2.6Å; D61-R66 IonicContact OD1-CZ 2.62Å; D61-R66 IonicContact OD1-NH1 2.6Å; D61-R66 PolarHBondContact OD1-NH1 2.9Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 HydrophobicContact CB-CG 4.15Å; R66-P68 WeakPolarHBondContact O-CD 3.16Å; R66-A71 WeakPolarHBondContact CD-O 3.45Å; R66-A71 PolarHBondContact NH1-O 3.29Å; R66-S73 WeakPolarHBondContact CA-OG 3.41Å; R66-S73 VanDerWaalsContact CB-OG 3.31Å; R66-S73 WeakPolarHBondContact CB-OG 3.46Å; R66-H78 WeakPolarHBondContact O-CB 3.41Å
67D90.1Very high90.8Very high47 Ų4762.3 Ų62.325%0.25133%0.332SS..  trans-66.8123.1171.7-179.4-21000109.5N69 K70 S73D67-N69 PolarHBondContact O-N 3.05Å; D67-N69 WeakPolarHBondContact OD1-CB 3.37Å; D67-N69 PolarHBondContact OD1-N 3.39Å; D67-N69 PolarHBondContact OD1-ND2 3.37Å; D67-K70 HydrophobicContact CB-CB 4.18Å; D67-K70 CarbonylContact O-C 3.52Å; D67-K70 PolarHBondContact O-N 3.49Å; D67-S73 PolarHBondContact N-OG 3.43Å; D67-S73 VanDerWaalsContact N-OG 3.1Å
68P88.6Confident90.7Very high100 Ų10067.8 Ų67.865%0.64936%0.357SS*.THydrogen-bonded Turntrans-55.2-25.3179.2-25.733.9000114.3R66R66-P68 WeakPolarHBondContact O-CD 3.16Å
69N89.2Confident90.6Very high149 Ų14967.3 Ų67.380%0.79735%0.348SS*.THydrogen-bonded Turntrans-90.9-10.4179.7-58-58.4000113.2D67D67-N69 PolarHBondContact O-N 3.05Å; D67-N69 WeakPolarHBondContact OD1-CB 3.37Å; D67-N69 PolarHBondContact OD1-N 3.39Å; D67-N69 PolarHBondContact OD1-ND2 3.37Å
70K88.3Confident90.4Very high136 Ų13665.9 Ų65.959%0.59136%0.356SS*.  trans-132.384.8-177.8-62.5-178-178.2-178.80110.8D67 W72 S73D67-K70 HydrophobicContact CB-CB 4.18Å; D67-K70 CarbonylContact O-C 3.52Å; D67-K70 PolarHBondContact O-N 3.49Å; K70-W72 PolarHBondContact O-N 2.95Å; K70-S73 VanDerWaalsContact O-CB 3.28Å; K70-S73 WeakPolarHBondContact O-CB 3.32Å; K70-S73 PolarHBondContact O-N 3.21Å; K70-S73 PolarHBondContact O-OG 2.82Å; K70-S73 VanDerWaalsContact O-OG 3.11Å
71A85.3Confident90.2Very high31 Ų3167.8 Ų67.826%0.25637%0.367SS..THydrogen-bonded Turntrans-56.4-23-174.800000116.3R66 T164R66-A71 WeakPolarHBondContact CD-O 3.45Å; R66-A71 PolarHBondContact NH1-O 3.29Å; A71-T164 HydrophobicContact CB-CG2 3.67Å
72W88.9Confident90.2Very high65 Ų6568.8 Ų68.825%0.24637%0.372CS..THydrogen-bonded Turntrans-103.812.8177.4-63-88.6000113.5K70 E143 D159 K160 G161 I163 T164K70-W72 PolarHBondContact O-N 2.95Å; W72-E143 VanDerWaalsContact CD1-O 3.32Å; W72-D159 VanDerWaalsContact CB-O 3.23Å; W72-D159 WeakPolarHBondContact CB-O 3.26Å; W72-K160 HydrophobicContact CD2-CB 4.3Å; W72-K160 HydrophobicContact CD2-CG 4.42Å; W72-K160 HydrophobicContact CE3-CB 4.01Å; W72-K160 HydrophobicContact CE3-CD 4.22Å; W72-K160 HydrophobicContact CE3-CG 3.69Å; W72-K160 HydrophobicContact CH2-CB 4.42Å; W72-K160 HydrophobicContact CH2-CD 4.44Å; W72-K160 HydrophobicContact CZ3-CB 4.09Å; W72-K160 HydrophobicContact CZ3-CD 3.78Å; W72-K160 HydrophobicContact CZ3-CG 3.76Å; W72-G161 WeakPolarHBondContact CZ2-O 3.37Å; W72-I163 PolarHBondContact NE1-O 2.91Å; W72-T164 HydrophobicContact CD2-CG2 4.38Å; W72-T164 HydrophobicContact CH2-CG2 3.79Å; W72-T164 HydrophobicContact CZ2-CG2 3.45Å; W72-T164 VanDerWaalsContact CZ2-CG2 3.45Å; W72-T164 HydrophobicContact CZ3-CG2 4.37Å
73S87.6Confident90.1Very high21 Ų2165.8 Ų65.815%0.14736%0.356CS..PPolyproline II helixtrans-59.5151.9175.7650000111.1R66 D67 K70 S77R66-S73 WeakPolarHBondContact CA-OG 3.41Å; R66-S73 VanDerWaalsContact CB-OG 3.31Å; R66-S73 WeakPolarHBondContact CB-OG 3.46Å; D67-S73 PolarHBondContact N-OG 3.43Å; D67-S73 VanDerWaalsContact N-OG 3.1Å; K70-S73 VanDerWaalsContact O-CB 3.28Å; K70-S73 WeakPolarHBondContact O-CB 3.32Å; K70-S73 PolarHBondContact O-N 3.21Å; K70-S73 PolarHBondContact O-OG 2.82Å; K70-S73 VanDerWaalsContact O-OG 3.11Å; S73-S77 WeakPolarHBondContact CB-OG 3.23Å; S73-S77 PolarHBondContact OG-OG 3.45Å; S73-S77 VanDerWaalsContact OG-OG 3.06Å
74Q86.4Confident90.1Very high168 Ų16868.3 Ų68.379%0.78537%0.372SS*.PPolyproline II helixtrans-54.6147.5174.8-64.1-176.4-2.800111.6G76 S77Q74-G76 PolarHBondContact O-N 3.2Å; Q74-S77 VanDerWaalsContact O-CB 3.27Å; Q74-S77 WeakPolarHBondContact O-CB 3.45Å; Q74-S77 PolarHBondContact O-N 2.86Å; Q74-S77 PolarHBondContact O-OG 2.7Å
75L88.1Confident90.2Very high104 Ų10468.8 Ų68.855%0.54538%0.377SS..THydrogen-bonded Turntrans-58.7134.8174.8-88.369.7000109.8F64 V81F64-L75 HydrophobicContact CB-CG 4.13Å; F64-L75 HydrophobicContact CD1-CD2 4.24Å; F64-L75 HydrophobicContact CG-CD2 4.34Å; F64-L75 HydrophobicContact CG-CG 4.22Å; L75-V81 HydrophobicContact CB-CG2 4.24Å
76G87.8Confident90.3Very high33 Ų3369 Ų6934%0.3438%0.379SS..THydrogen-bonded Turntrans80.713.4178.600000115.4F64 G65 Q74 H79F64-G76 PolarHBondContact O-N 3.45Å; G65-G76 CarbonylContact O-C 3.49Å; G65-G76 PolarHBondContact O-N 2.72Å; Q74-G76 PolarHBondContact O-N 3.2Å; G76-H79 CarbonylContact C-O 3.36Å; G76-H79 WeakPolarHBondContact CA-O 3.29Å
77S90Very high90.5Very high65 Ų6569 Ų6946%0.45538%0.38SS..SBendtrans-74-29.4-176.348.80000114.3G65 S73 Q74G65-S77 PolarHBondContact O-N 3.18Å; G65-S77 PolarHBondContact O-OG 2.85Å; S73-S77 WeakPolarHBondContact CB-OG 3.23Å; S73-S77 PolarHBondContact OG-OG 3.45Å; S73-S77 VanDerWaalsContact OG-OG 3.06Å; Q74-S77 VanDerWaalsContact O-CB 3.27Å; Q74-S77 WeakPolarHBondContact O-CB 3.45Å; Q74-S77 PolarHBondContact O-N 2.86Å; Q74-S77 PolarHBondContact O-OG 2.7Å
78H91.5Very high90.7Very high115 Ų11571.6 Ų71.653%0.53239%0.393SS..SBendtrans-97.9-48.2178.6-178.2-119.6000112.3G65 R66G65-H78 PolarHBondContact O-N 2.98Å; R66-H78 WeakPolarHBondContact O-CB 3.41Å
79H92.1Very high91.1Very high54 Ų5467.6 Ų67.625%0.2537%0.367CS..SBendtrans-145.8171.3168.958.785.8000109.7D62 G65 G76 D82D62-H79 PolarHBondContact O-CE1 2.78Å; D62-H79 PolarHBondContact O-NE2 2.96Å; D62-H79 IonicContact OD1-NE2 3.86Å; G65-H79 WeakPolarHBondContact CA-O 3.45Å; G76-H79 CarbonylContact C-O 3.36Å; G76-H79 WeakPolarHBondContact CA-O 3.29Å; H79-D82 IonicContact CE1-OD2 3.47Å; H79-D82 PolarHBondContact CE1-OD2 3.47Å; H79-D82 IonicContact ND1-OD2 3.57Å
80S89.9Confident91.4Very high91 Ų9162.7 Ų62.764%0.63634%0.338SS*.  trans-60144.4176.156.40000111.9D82S80-D82 PolarHBondContact O-N 3.41Å
81V91.6Very high91.7Very high40 Ų4060.1 Ų60.124%0.24233%0.327CS..  trans-55.4124.1176.5178.60000111.1L75 I83 L86L75-V81 HydrophobicContact CB-CG2 4.24Å; V81-I83 PolarHBondContact O-N 3.24Å; V81-L86 HydrophobicContact CG1-CD1 3.57Å
82D93.3Very high92.3Very high58 Ų5861.3 Ų61.331%0.3133%0.331SS..  trans-81.385.3179.9-70.8-38.9000110.8W63 H79 S80 I84 P85 L86W63-D82 HydrophobicContact CB-CB 4.33Å; W63-D82 PolarHBondContact O-N 3.3Å; H79-D82 IonicContact CE1-OD2 3.47Å; H79-D82 PolarHBondContact CE1-OD2 3.47Å; H79-D82 IonicContact ND1-OD2 3.57Å; S80-D82 PolarHBondContact O-N 3.41Å; D82-I84 VanDerWaalsContact C-N 3.31Å; D82-I84 PolarHBondContact O-N 3.12Å; D82-P85 HydrophobicContact CB-CG 3.64Å; D82-P85 WeakPolarHBondContact O-CD 3.49Å; D82-P85 WeakPolarHBondContact O-CG 3.48Å; D82-L86 WeakPolarHBondContact O-CD1 3.44Å; D82-L86 WeakPolarHBondContact O-CG 3.27Å; D82-L86 PolarHBondContact O-N 2.85Å
83I92.7Very high92.7Very high22 Ų2259.5 Ų59.511%0.11333%0.326CS..Hα-helixtrans-67.8-30.2-171.4-158.860.3000113.8L6 T9 F10 V81 T87L6-I83 HydrophobicContact CB-CD1 4.32Å; L6-I83 HydrophobicContact CB-CG1 4.22Å; L6-I83 HydrophobicContact CD2-CB 3.76Å; L6-I83 HydrophobicContact CD2-CG1 4.07Å; L6-I83 HydrophobicContact CD2-CG2 3.69Å; L6-I83 WeakPolarHBondContact O-CG1 3.27Å; T9-I83 HydrophobicContact CG2-CG1 4.46Å; T9-I83 HydrophobicContact CG2-CG2 4.4Å; F10-I83 HydrophobicContact CB-CD1 3.85Å; F10-I83 HydrophobicContact CB-CG1 4.42Å; F10-I83 HydrophobicContact CD2-CD1 4.36Å; F10-I83 HydrophobicContact CG-CD1 4.42Å; V81-I83 PolarHBondContact O-N 3.24Å; I83-T87 VanDerWaalsContact O-CB 3.28Å; I83-T87 WeakPolarHBondContact O-CB 3.45Å; I83-T87 PolarHBondContact O-N 3.46Å; I83-T87 PolarHBondContact O-OG1 3.24Å
84I94Very high93Very high93 Ų9359.6 Ų59.648%0.47733%0.326SS..Hα-helixtrans-68.5-55.5-175.9-59.7-61.8000111.7T9 D82 L86 T87 I88T9-I84 HydrophobicContact CG2-CD1 4.01Å; D82-I84 VanDerWaalsContact C-N 3.31Å; D82-I84 PolarHBondContact O-N 3.12Å; I84-L86 VanDerWaalsContact C-N 3.29Å; I84-L86 PolarHBondContact O-N 3.34Å; I84-T87 PolarHBondContact O-N 3.33Å; I84-T87 VanDerWaalsContact O-N 3.1Å; I84-I88 HydrophobicContact CG2-CD1 3.87Å; I84-I88 WeakPolarHBondContact O-CG1 3.3Å; I84-I88 PolarHBondContact O-N 3Å
85P95.5Very high93.5Very high39 Ų3955.2 Ų55.225%0.25331%0.305SS..Hα-helixtrans-60.7-39.5176.622.5-32.5000111.9W63 D82 T87 I88 T89W63-P85 HydrophobicContact CD2-CB 3.86Å; W63-P85 HydrophobicContact CD2-CG 4.09Å; W63-P85 HydrophobicContact CE3-CB 4.16Å; W63-P85 HydrophobicContact CG-CB 4.39Å; W63-P85 HydrophobicContact CG-CG 4.09Å; W63-P85 HydrophobicContact CH2-CB 4.15Å; W63-P85 HydrophobicContact CZ2-CB 3.85Å; W63-P85 HydrophobicContact CZ3-CB 4.29Å; D82-P85 HydrophobicContact CB-CG 3.64Å; D82-P85 WeakPolarHBondContact O-CD 3.49Å; D82-P85 WeakPolarHBondContact O-CG 3.48Å; P85-T87 VanDerWaalsContact C-N 3.34Å; P85-T87 PolarHBondContact O-N 2.89Å; P85-I88 PolarHBondContact O-N 2.9Å; P85-T89 PolarHBondContact O-N 3.06Å
86L94.6Very high93.9Very high5 Ų551.6 Ų51.63%0.02629%0.285CS..Hα-helixtrans-55.7-47.9171.9-77.2167.1000112F10 I60 W63 F64 V81 D82 I84 I88 F90F10-L86 HydrophobicContact CD2-CB 4.33Å; F10-L86 HydrophobicContact CE2-CB 4.25Å; I60-L86 HydrophobicContact CD1-CD2 3.42Å; I60-L86 VanDerWaalsContact CD1-CD2 3.42Å; W63-L86 HydrophobicContact CB-CD1 4.42Å; W63-L86 HydrophobicContact CB-CD2 4.32Å; W63-L86 HydrophobicContact CB-CG 4.05Å; W63-L86 HydrophobicContact CE3-CD2 4.22Å; W63-L86 HydrophobicContact CE3-CG 4.4Å; F64-L86 HydrophobicContact CD1-CD1 3.95Å; F64-L86 HydrophobicContact CD1-CD2 4.12Å; F64-L86 HydrophobicContact CE1-CD1 4.07Å; F64-L86 HydrophobicContact CE1-CD2 3.73Å; V81-L86 HydrophobicContact CG1-CD1 3.57Å; D82-L86 WeakPolarHBondContact O-CD1 3.44Å; D82-L86 WeakPolarHBondContact O-CG 3.27Å; D82-L86 PolarHBondContact O-N 2.85Å; I84-L86 VanDerWaalsContact C-N 3.29Å; I84-L86 PolarHBondContact O-N 3.34Å; L86-I88 VanDerWaalsContact C-N 3.35Å; L86-I88 PolarHBondContact O-N 3.44Å; L86-F90 HydrophobicContact CD2-CD2 4.49Å; L86-F90 HydrophobicContact CD2-CE2 4.11Å; L86-F90 WeakPolarHBondContact O-CB 3.22Å; L86-F90 VanDerWaalsContact O-CD2 3.25Å; L86-F90 WeakPolarHBondContact O-CD2 3.27Å; L86-F90 PolarHBondContact O-N 3.43Å
87T94.6Very high94.3Very high13 Ų1351.8 Ų51.88%0.0828%0.28CS..Hα-helixtrans-63.1-42.8-179.6-58.30000111.2T9 F10 L12 I83 I84 P85 F91T9-T87 HydrophobicContact CG2-CG2 4.41Å; T9-T87 VanDerWaalsContact O-CG2 3.23Å; T9-T87 WeakPolarHBondContact O-CG2 3.44Å; F10-T87 WeakPolarHBondContact CA-OG1 3.39Å; L12-T87 HydrophobicContact CB-CG2 4.21Å; I83-T87 VanDerWaalsContact O-CB 3.28Å; I83-T87 WeakPolarHBondContact O-CB 3.45Å; I83-T87 PolarHBondContact O-N 3.46Å; I83-T87 PolarHBondContact O-OG1 3.24Å; I84-T87 PolarHBondContact O-N 3.33Å; I84-T87 VanDerWaalsContact O-N 3.1Å; P85-T87 VanDerWaalsContact C-N 3.34Å; P85-T87 PolarHBondContact O-N 2.89Å; T87-F91 WeakPolarHBondContact O-CB 3.46Å; T87-F91 PolarHBondContact O-N 2.88Å
88I95.7Very high94.4Very high101 Ų10148.7 Ų48.752%0.51826%0.259SS..Hα-helixtrans-65.8-51.1-179.5-67.1168.9000110.9I84 P85 L86 F90 F91 V92I84-I88 HydrophobicContact CG2-CD1 3.87Å; I84-I88 WeakPolarHBondContact O-CG1 3.3Å; I84-I88 PolarHBondContact O-N 3Å; P85-I88 PolarHBondContact O-N 2.9Å; L86-I88 VanDerWaalsContact C-N 3.35Å; L86-I88 PolarHBondContact O-N 3.44Å; I88-F90 PolarHBondContact O-N 3.18Å; I88-F91 WeakPolarHBondContact O-CB 3.39Å; I88-F91 PolarHBondContact O-N 3.44Å; I88-F91 VanDerWaalsContact O-N 3.17Å; I88-V92 WeakPolarHBondContact O-CG2 3.18Å; I88-V92 PolarHBondContact O-N 3.44Å
89T95.7Very high94.6Very high16 Ų1643.4 Ų43.410%0.09823%0.234CC..Hα-helixtrans-63.1-44.7-179.5-720000111.7E52 L56 W63 P85 F91 V92 L93E52-T89 HydrophobicContact CG-CG2 4.35Å; E52-T89 WeakPolarHBondContact OE1-CG2 3.45Å; L56-T89 HydrophobicContact CB-CG2 4.18Å; L56-T89 HydrophobicContact CD1-CG2 3.51Å; L56-T89 HydrophobicContact CD2-CG2 4.02Å; L56-T89 HydrophobicContact CG-CG2 4.1Å; W63-T89 HydrophobicContact CZ3-CG2 4.38Å; W63-T89 WeakPolarHBondContact CZ3-OG1 3.32Å; P85-T89 PolarHBondContact O-N 3.06Å; T89-F91 VanDerWaalsContact C-N 3.28Å; T89-F91 PolarHBondContact O-N 3.25Å; T89-V92 PolarHBondContact O-N 3.06Å; T89-V92 VanDerWaalsContact O-N 3.17Å; T89-L93 WeakPolarHBondContact O-CB 3.38Å; T89-L93 PolarHBondContact O-N 2.94Å
90F95.6Very high94.7Very high47 Ų4742.4 Ų42.421%0.20623%0.23CC..Hα-helixtrans-67.1-31176.4-82.4-98.3000112.2F10 L56 I60 L86 I88 L93 T94F10-F90 HydrophobicContact CE2-CB 3.92Å; F10-F90 HydrophobicContact CE2-CD1 4.46Å; F10-F90 AromaticContact CE2-CD2 3.81Å; F10-F90 HydrophobicContact CE2-CD2 3.81Å; F10-F90 HydrophobicContact CE2-CE2 4.43Å; F10-F90 AromaticContact CE2-CG 3.8Å; F10-F90 HydrophobicContact CE2-CG 3.8Å; F10-F90 HydrophobicContact CZ-CB 4.1Å; F10-F90 AromaticContact CZ-CD1 3.94Å; F10-F90 HydrophobicContact CZ-CD1 3.94Å; F10-F90 HydrophobicContact CZ-CD2 4.03Å; F10-F90 HydrophobicContact CZ-CE1 4.36Å; F10-F90 HydrophobicContact CZ-CE2 4.43Å; F10-F90 AromaticContact CZ-CG 3.74Å; F10-F90 HydrophobicContact CZ-CG 3.74Å; L56-F90 HydrophobicContact CD2-CE2 3.96Å; L56-F90 HydrophobicContact CD2-CZ 4.11Å; I60-F90 HydrophobicContact CD1-CE2 4.13Å; L86-F90 HydrophobicContact CD2-CD2 4.49Å; L86-F90 HydrophobicContact CD2-CE2 4.11Å; L86-F90 WeakPolarHBondContact O-CB 3.22Å; L86-F90 VanDerWaalsContact O-CD2 3.25Å; L86-F90 WeakPolarHBondContact O-CD2 3.27Å; L86-F90 PolarHBondContact O-N 3.43Å; I88-F90 PolarHBondContact O-N 3.18Å; F90-L93 PolarHBondContact O-N 3.32Å; F90-T94 WeakPolarHBondContact O-CB 3.46Å; F90-T94 VanDerWaalsContact O-CG2 3.26Å; F90-T94 WeakPolarHBondContact O-CG2 3.35Å; F90-T94 PolarHBondContact O-N 2.86Å; F90-T94 PolarHBondContact O-OG1 2.85Å
91F95.8Very high94.8Very high82 Ų8239.2 Ų39.236%0.3621%0.206SC..Hα-helixtrans-63.8-41.3171-178.4-83.3000112.2W15 P16 T87 I88 T89 T94 F95W15-F91 HydrophobicContact CB-CE2 4.48Å; P16-F91 HydrophobicContact CG-CD1 4.47Å; P16-F91 HydrophobicContact CG-CD2 3.86Å; P16-F91 HydrophobicContact CG-CE1 4.25Å; P16-F91 HydrophobicContact CG-CE2 3.62Å; P16-F91 HydrophobicContact CG-CG 4.29Å; P16-F91 HydrophobicContact CG-CZ 3.82Å; T87-F91 WeakPolarHBondContact O-CB 3.46Å; T87-F91 PolarHBondContact O-N 2.88Å; I88-F91 WeakPolarHBondContact O-CB 3.39Å; I88-F91 PolarHBondContact O-N 3.44Å; I88-F91 VanDerWaalsContact O-N 3.17Å; T89-F91 VanDerWaalsContact C-N 3.28Å; T89-F91 PolarHBondContact O-N 3.25Å; F91-T94 WeakPolarHBondContact CA-OG1 3.49Å; F91-T94 PolarHBondContact O-OG1 3.49Å; F91-F95 VanDerWaalsContact O-CB 3.25Å; F91-F95 WeakPolarHBondContact O-CB 3.43Å; F91-F95 PolarHBondContact O-N 3.38Å
92V97Very high94.8Very high56 Ų5637.3 Ų37.334%0.33919%0.194SC..Hα-helixtrans-64.2-46.3175.1172.40000110.2I88 T89 T94 F95 L96I88-V92 WeakPolarHBondContact O-CG2 3.18Å; I88-V92 PolarHBondContact O-N 3.44Å; T89-V92 PolarHBondContact O-N 3.06Å; T89-V92 VanDerWaalsContact O-N 3.17Å; V92-T94 PolarHBondContact O-N 3.34Å; V92-F95 WeakPolarHBondContact O-CB 3.33Å; V92-F95 PolarHBondContact O-N 3.49Å; V92-L96 HydrophobicContact CG1-CD1 4.15Å; V92-L96 VanDerWaalsContact O-CG 3.32Å; V92-L96 WeakPolarHBondContact O-CG 3.49Å; V92-L96 PolarHBondContact O-N 2.86Å
93L96.6Very high94.8Very high26 Ų2634.7 Ų34.714%0.13618%0.18CC..Hα-helixtrans-59.7-44.5177.9-17068.8000112.1I49 E52 L53 T89 F90 L96 T97I49-L93 HydrophobicContact CB-CD1 4.46Å; I49-L93 HydrophobicContact CG1-CD1 4.39Å; I49-L93 HydrophobicContact CG2-CD1 3.95Å; E52-L93 HydrophobicContact CB-CD1 4.41Å; E52-L93 HydrophobicContact CG-CD1 4.32Å; L53-L93 HydrophobicContact CD2-CD1 4.24Å; L53-L93 HydrophobicContact CD2-CD2 4.17Å; L53-L93 HydrophobicContact CG-CD1 4.32Å; T89-L93 WeakPolarHBondContact O-CB 3.38Å; T89-L93 PolarHBondContact O-N 2.94Å; F90-L93 PolarHBondContact O-N 3.32Å; L93-L96 PolarHBondContact O-N 3.06Å; L93-T97 WeakPolarHBondContact O-CG2 3.25Å; L93-T97 PolarHBondContact O-N 2.95Å; L93-T97 PolarHBondContact O-OG1 3.42Å; L93-T97 VanDerWaalsContact O-OG1 3.13Å
94T94.9Very high94.7Very high23 Ų2336.2 Ų36.214%0.14119%0.19CC..Hα-helixtrans-69.9-33.3176.755.70000112.5S13 P16 F90 F91 V92 T97 A98S13-T94 VanDerWaalsContact O-CB 3.24Å; S13-T94 WeakPolarHBondContact O-CB 3.48Å; S13-T94 VanDerWaalsContact O-CG2 3.3Å; S13-T94 WeakPolarHBondContact O-CG2 3.32Å; S13-T94 PolarHBondContact O-OG1 2.99Å; P16-T94 WeakPolarHBondContact CG-OG1 3.5Å; F90-T94 WeakPolarHBondContact O-CB 3.46Å; F90-T94 VanDerWaalsContact O-CG2 3.26Å; F90-T94 WeakPolarHBondContact O-CG2 3.35Å; F90-T94 PolarHBondContact O-N 2.86Å; F90-T94 PolarHBondContact O-OG1 2.85Å; F91-T94 WeakPolarHBondContact CA-OG1 3.49Å; F91-T94 PolarHBondContact O-OG1 3.49Å; V92-T94 PolarHBondContact O-N 3.34Å; T94-T97 VanDerWaalsContact CA-OG1 3.24Å; T94-T97 WeakPolarHBondContact CA-OG1 3.41Å; T94-T97 PolarHBondContact O-N 3.47Å; T94-T97 PolarHBondContact O-OG1 2.81Å; T94-A98 WeakPolarHBondContact O-CB 3.46Å; T94-A98 PolarHBondContact O-N 3.06Å
95F96.2Very high94.4Very high77 Ų7732.2 Ų32.234%0.33817%0.17SC..Hα-helixtrans-63.1-43.3172.6178.6-92.8000111.8P16 W23 F91 V92 A98 T99P16-F95 HydrophobicContact CB-CB 4.07Å; P16-F95 HydrophobicContact CB-CD2 4.36Å; P16-F95 HydrophobicContact CG-CB 4.04Å; W23-F95 AromaticContact CD2-CE2 3.76Å; W23-F95 HydrophobicContact CD2-CE2 3.76Å; W23-F95 HydrophobicContact CD2-CZ 4.3Å; W23-F95 AromaticContact CE2-CE2 3.6Å; W23-F95 AromaticContact CE3-CE2 3.92Å; W23-F95 HydrophobicContact CE3-CE2 3.92Å; W23-F95 HydrophobicContact CG-CE2 4.39Å; W23-F95 HydrophobicContact CG-CZ 4.48Å; W23-F95 AromaticContact CH2-CD2 3.72Å; W23-F95 HydrophobicContact CH2-CD2 3.72Å; W23-F95 AromaticContact CH2-CE2 3.79Å; W23-F95 HydrophobicContact CH2-CE2 3.79Å; W23-F95 AromaticContact CZ2-CD2 3.67Å; W23-F95 HydrophobicContact CZ2-CD2 3.67Å; W23-F95 AromaticContact CZ2-CE2 3.64Å; W23-F95 HydrophobicContact CZ2-CE2 3.64Å; W23-F95 HydrophobicContact CZ3-CD2 4.22Å; W23-F95 AromaticContact CZ3-CE2 3.93Å; W23-F95 HydrophobicContact CZ3-CE2 3.93Å; F91-F95 VanDerWaalsContact O-CB 3.25Å; F91-F95 WeakPolarHBondContact O-CB 3.43Å; F91-F95 PolarHBondContact O-N 3.38Å; V92-F95 WeakPolarHBondContact O-CB 3.33Å; V92-F95 PolarHBondContact O-N 3.49Å; F95-A98 PolarHBondContact O-N 3.11Å; F95-T99 WeakPolarHBondContact O-CB 3.33Å; F95-T99 PolarHBondContact O-N 2.94Å; F95-T99 PolarHBondContact O-OG1 3.08Å
96L97.2Very high94.1Very high27 Ų2730.4 Ų30.414%0.14116%0.158CC..Hα-helixtrans-65.7-44.6176.7-66.5171000111.8A48 I49 V92 L93 T99 Q100A48-L96 HydrophobicContact CB-CD1 3.69Å; A48-L96 HydrophobicContact CB-CD2 3.72Å; A48-L96 HydrophobicContact CB-CG 4.33Å; I49-L96 HydrophobicContact CD1-CB 4.12Å; I49-L96 HydrophobicContact CG1-CB 3.6Å; I49-L96 HydrophobicContact CG1-CD1 4.15Å; V92-L96 HydrophobicContact CG1-CD1 4.15Å; V92-L96 VanDerWaalsContact O-CG 3.32Å; V92-L96 WeakPolarHBondContact O-CG 3.49Å; V92-L96 PolarHBondContact O-N 2.86Å; L93-L96 PolarHBondContact O-N 3.06Å; L96-T99 WeakPolarHBondContact O-CB 3.1Å; L96-T99 PolarHBondContact O-N 3.15Å; L96-Q100 PolarHBondContact O-N 2.67Å
97T95.1Very high93.8Very high38 Ų3831.2 Ų31.223%0.23316%0.161CC..Hα-helixtrans-66.6-37.7176.754.30000112.3I49 L93 T94 T99 Q100 D101I49-T97 HydrophobicContact CD1-CG2 3.7Å; I49-T97 HydrophobicContact CG1-CG2 4.3Å; L93-T97 WeakPolarHBondContact O-CG2 3.25Å; L93-T97 PolarHBondContact O-N 2.95Å; L93-T97 PolarHBondContact O-OG1 3.42Å; L93-T97 VanDerWaalsContact O-OG1 3.13Å; T94-T97 VanDerWaalsContact CA-OG1 3.24Å; T94-T97 WeakPolarHBondContact CA-OG1 3.41Å; T94-T97 PolarHBondContact O-N 3.47Å; T94-T97 PolarHBondContact O-OG1 2.81Å; T97-T99 VanDerWaalsContact C-N 3.33Å; T97-T99 PolarHBondContact O-N 3.42Å; T97-Q100 WeakPolarHBondContact O-CB 3.2Å; T97-Q100 PolarHBondContact O-N 2.88Å; T97-D101 PolarHBondContact O-N 3.48Å
98A93.4Very high93.5Very high0 Ų031.5 Ų31.50%017%0.165CC..Hα-helixtrans-64.5-38.2173.300000111.7P16 F17 K20 W23 T94 F95 D101 I102P16-A98 HydrophobicContact CB-CB 4.23Å; F17-A98 HydrophobicContact CD1-CB 4.09Å; F17-A98 HydrophobicContact CD2-CB 4.46Å; F17-A98 HydrophobicContact CE1-CB 4.15Å; F17-A98 HydrophobicContact CG-CB 4.25Å; F17-A98 HydrophobicContact CZ-CB 4.36Å; K20-A98 HydrophobicContact CB-CB 4.35Å; W23-A98 HydrophobicContact CZ2-CB 3.97Å; T94-A98 WeakPolarHBondContact O-CB 3.46Å; T94-A98 PolarHBondContact O-N 3.06Å; F95-A98 PolarHBondContact O-N 3.11Å; A98-D101 WeakPolarHBondContact O-CB 3.41Å; A98-D101 PolarHBondContact O-N 3.15Å; A98-I102 WeakPolarHBondContact O-CG1 3.46Å; A98-I102 PolarHBondContact O-N 3.37Å
99T95.1Very high93.1Very high3 Ų327.4 Ų27.42%0.01814%0.144CC..Hα-helixtrans-66.1-39.7174.2-56.10000111.7W23 V27 W41 T45 F95 L96 T97 D101 I102 A103W23-T99 PolarHBondContact NE1-OG1 3.09Å; V27-T99 HydrophobicContact CG2-CG2 3.75Å; W41-T99 HydrophobicContact CE3-CG2 3.76Å; W41-T99 HydrophobicContact CZ3-CG2 4.12Å; T45-T99 HydrophobicContact CG2-CG2 3.61Å; F95-T99 WeakPolarHBondContact O-CB 3.33Å; F95-T99 PolarHBondContact O-N 2.94Å; F95-T99 PolarHBondContact O-OG1 3.08Å; L96-T99 WeakPolarHBondContact O-CB 3.1Å; L96-T99 PolarHBondContact O-N 3.15Å; T97-T99 VanDerWaalsContact C-N 3.33Å; T97-T99 PolarHBondContact O-N 3.42Å; T99-D101 VanDerWaalsContact C-N 3.35Å; T99-I102 WeakPolarHBondContact O-CB 3.16Å; T99-I102 PolarHBondContact O-N 3.26Å; T99-A103 PolarHBondContact O-N 3.38Å
100Q94Very high92.6Very high34 Ų3430.5 Ų30.516%0.15916%0.163CC..Hα-helixtrans-61.8-42.9173.7-176.7-176.955.600111.6L96 T97 I102 A103 V104L96-Q100 PolarHBondContact O-N 2.67Å; T97-Q100 WeakPolarHBondContact O-CB 3.2Å; T97-Q100 PolarHBondContact O-N 2.88Å; Q100-I102 VanDerWaalsContact C-N 3.33Å; Q100-I102 PolarHBondContact O-N 2.92Å; Q100-A103 WeakPolarHBondContact O-CB 3.18Å; Q100-A103 PolarHBondContact O-N 3.24Å; Q100-A103 VanDerWaalsContact O-N 3.09Å; Q100-V104 HydrophobicContact CG-CG2 4.14Å; Q100-V104 WeakPolarHBondContact O-CG2 3.43Å; Q100-V104 PolarHBondContact O-N 3.33Å
101D92.3Very high92.2Very high24 Ų2432.2 Ų32.213%0.12817%0.174CC..Hα-helixtrans-58.4-43.4178.7-169.953.7000111.4F17 K20 T97 A98 T99 A103 V104 D105F17-D101 HydrophobicContact CE1-CB 4.45Å; K20-D101 IonicContact NZ-OD2 3.92Å; K20-D101 PolarHBondContact NZ-OD2 2.87Å; T97-D101 PolarHBondContact O-N 3.48Å; A98-D101 WeakPolarHBondContact O-CB 3.41Å; A98-D101 PolarHBondContact O-N 3.15Å; T99-D101 VanDerWaalsContact C-N 3.35Å; D101-A103 VanDerWaalsContact C-N 3.33Å; D101-A103 PolarHBondContact O-N 2.95Å; D101-V104 PolarHBondContact O-N 2.93Å; D101-D105 VanDerWaalsContact O-CB 3.29Å; D101-D105 WeakPolarHBondContact O-CB 3.05Å; D101-D105 PolarHBondContact O-N 3.46Å
102I92.4Very high91.7Very high0 Ų030.7 Ų30.70%017%0.169CC..Hα-helixtrans-56-47.6173.2-58.1163.7000111K20 W23 A24 V27 A98 T99 Q100 G106 T428K20-I102 HydrophobicContact CB-CD1 3.97Å; K20-I102 HydrophobicContact CB-CG1 4.29Å; K20-I102 HydrophobicContact CD-CG1 4.21Å; W23-I102 HydrophobicContact CG-CD1 4.49Å; A24-I102 HydrophobicContact CB-CD1 3.96Å; A24-I102 HydrophobicContact CB-CG1 4.27Å; A24-I102 HydrophobicContact CB-CG2 3.85Å; V27-I102 HydrophobicContact CB-CG2 3.98Å; V27-I102 HydrophobicContact CG1-CB 4.34Å; V27-I102 HydrophobicContact CG1-CG2 3.81Å; V27-I102 HydrophobicContact CG2-CD1 4.24Å; V27-I102 HydrophobicContact CG2-CG2 4.46Å; A98-I102 WeakPolarHBondContact O-CG1 3.46Å; A98-I102 PolarHBondContact O-N 3.37Å; T99-I102 WeakPolarHBondContact O-CB 3.16Å; T99-I102 PolarHBondContact O-N 3.26Å; Q100-I102 VanDerWaalsContact C-N 3.33Å; Q100-I102 PolarHBondContact O-N 2.92Å; I102-G106 PolarHBondContact O-N 2.77Å; I102-G106 VanDerWaalsContact O-N 3.08Å; I102-T428 HydrophobicContact CG1-CG2 4.01Å; I102-T428 WeakPolarHBondContact CG1-OG1 3.21Å
103A91.9Very high91.2Very high2 Ų231.2 Ų31.22%0.01718%0.175CC..Hα-helixtrans-66.6-44.5-177.700000111.7V27 W41 T99 Q100 D101 G106 W107V27-A103 HydrophobicContact CG1-CB 4.38Å; W41-A103 HydrophobicContact CB-CB 4.01Å; T99-A103 PolarHBondContact O-N 3.38Å; Q100-A103 WeakPolarHBondContact O-CB 3.18Å; Q100-A103 PolarHBondContact O-N 3.24Å; Q100-A103 VanDerWaalsContact O-N 3.09Å; D101-A103 VanDerWaalsContact C-N 3.33Å; D101-A103 PolarHBondContact O-N 2.95Å; A103-G106 PolarHBondContact O-N 2.66Å; A103-W107 WeakPolarHBondContact O-CB 3.34Å; A103-W107 PolarHBondContact O-N 2.88Å
104V91.3Very high90.6Very high54 Ų5439.4 Ų39.433%0.32721%0.209SC..Hα-helixtrans-65.1-45.2178.8172.20000111.2L42 Q100 D101 G106 W107 A108L42-V104 HydrophobicContact CD1-CG2 3.51Å; Q100-V104 HydrophobicContact CG-CG2 4.14Å; Q100-V104 WeakPolarHBondContact O-CG2 3.43Å; Q100-V104 PolarHBondContact O-N 3.33Å; D101-V104 PolarHBondContact O-N 2.93Å; V104-G106 VanDerWaalsContact C-N 3.34Å; V104-G106 PolarHBondContact O-N 3.36Å; V104-W107 PolarHBondContact O-N 2.96Å; V104-W107 VanDerWaalsContact O-N 3.15Å; V104-A108 PolarHBondContact O-N 2.83Å
105D88.5Confident90Very high10 Ų1047.6 Ų47.65%0.05324%0.243CC..Hα-helixtrans-59.4-46177.3-81.3-24.7000111.2D101 W107 N124 M427 N431D101-D105 VanDerWaalsContact O-CB 3.29Å; D101-D105 WeakPolarHBondContact O-CB 3.05Å; D101-D105 PolarHBondContact O-N 3.46Å; D105-W107 VanDerWaalsContact C-N 3.33Å; D105-W107 PolarHBondContact O-N 3.31Å; D105-N124 PolarHBondContact OD1-ND2 3.46Å; D105-M427 HydrophobicContact CB-CB 3.85Å; D105-N431 PolarHBondContact OD2-ND2 2.85Å
106G87.6Confident89.5Confident0 Ų047.2 Ų47.20%025%0.245CC..Hα-helixtrans-67-32.6175.700000113.3I102 A103 V104I102-G106 PolarHBondContact O-N 2.77Å; I102-G106 VanDerWaalsContact O-N 3.08Å; A103-G106 PolarHBondContact O-N 2.66Å; V104-G106 VanDerWaalsContact C-N 3.34Å; V104-G106 PolarHBondContact O-N 3.36Å
107W89.1Confident88.8Confident22 Ų2247.6 Ų47.68%0.08325%0.247CC..Hα-helixtrans-73-38.1178.7-159.113.1000112R38 L42 A103 V104 D105 L109 T110 L111 L184 K188R38-W107 HydrophobicContact CB-CB 3.81Å; R38-W107 HydrophobicContact CB-CD2 4.14Å; R38-W107 HydrophobicContact CB-CG 3.61Å; R38-W107 HydrophobicContact CG-CB 4.05Å; R38-W107 HydrophobicContact CG-CG 4.07Å; L42-W107 HydrophobicContact CD1-CE3 3.85Å; L42-W107 HydrophobicContact CD1-CZ3 3.87Å; L42-W107 HydrophobicContact CD2-CZ3 4.29Å; A103-W107 WeakPolarHBondContact O-CB 3.34Å; A103-W107 PolarHBondContact O-N 2.88Å; V104-W107 PolarHBondContact O-N 2.96Å; V104-W107 VanDerWaalsContact O-N 3.15Å; D105-W107 VanDerWaalsContact C-N 3.33Å; D105-W107 PolarHBondContact O-N 3.31Å; W107-L109 PolarHBondContact O-N 3.43Å; W107-L109 VanDerWaalsContact O-N 3.11Å; W107-T110 PolarHBondContact O-N 3.22Å; W107-T110 PolarHBondContact O-OG1 3.33Å; W107-T110 VanDerWaalsContact O-OG1 3.06Å; W107-L111 HydrophobicContact CG-CB 4.47Å; W107-L111 WeakPolarHBondContact O-CB 3.29Å; W107-L111 PolarHBondContact O-N 2.86Å; W107-L184 HydrophobicContact CH2-CD2 4.34Å; W107-K188 HydrophobicContact CH2-CG 3.57Å; W107-K188 HydrophobicContact CZ2-CG 3.93Å
108A89Confident88.1Confident20 Ų2046.5 Ų46.517%0.16524%0.243CC..Hα-helixtrans-54.8-34.4-179.900000112.9V104 T110 L112 A120V104-A108 PolarHBondContact O-N 2.83Å; A108-T110 VanDerWaalsContact C-N 3.28Å; A108-T110 PolarHBondContact O-N 2.93Å; A108-L112 PolarHBondContact O-N 3.12Å; A108-A120 HydrophobicContact CB-CB 3.98Å
109L85.5Confident87.8Confident15 Ų1551.4 Ų51.48%0.07926%0.262CS..Hα-helixtrans-65.2-26.9177.5-66.7172.4000114.4W107 L117 V415 G423 M427W107-L109 PolarHBondContact O-N 3.43Å; W107-L109 VanDerWaalsContact O-N 3.11Å; L109-L117 HydrophobicContact CD2-CD2 4.1Å; L109-V415 HydrophobicContact CD2-CB 4.3Å; L109-V415 HydrophobicContact CD2-CG1 3.62Å; L109-V415 WeakPolarHBondContact CD2-O 3.35Å; L109-G423 VanDerWaalsContact CD1-CA 3.46Å; L109-M427 HydrophobicContact CD1-CG 3.71Å; L109-M427 HydrophobicContact CD1-SD 4.43Å; L109-M427 HydrophobicContact CD2-SD 4.47Å; L109-M427 HydrophobicContact CG-CG 4.32Å
110T85.7Confident87.4Confident80 Ų8051.6 Ų51.649%0.49126%0.264SS..Hα-helixtrans-109.3-22-177.5540000112.5W107 A108 P420W107-T110 PolarHBondContact O-N 3.22Å; W107-T110 PolarHBondContact O-OG1 3.33Å; W107-T110 VanDerWaalsContact O-OG1 3.06Å; A108-T110 VanDerWaalsContact C-N 3.28Å; A108-T110 PolarHBondContact O-N 2.93Å; T110-P420 HydrophobicContact CG2-CB 4.23Å
111L86.7Confident87Confident83 Ų8350.1 Ų50.144%0.43526%0.257SS..Hα-helixtrans-76.9-37.9178.9179.464.4000112.4W107 K188W107-L111 HydrophobicContact CG-CB 4.47Å; W107-L111 WeakPolarHBondContact O-CB 3.29Å; W107-L111 PolarHBondContact O-N 2.86Å; L111-K188 VanDerWaalsContact CD1-CE 3.47Å
112L86.3Confident86.9Confident51 Ų5149 Ų4927%0.26725%0.251SS..SBendtrans-92.1146.9-178.5-67.1169.3000111.4A108 A120A108-L112 PolarHBondContact O-N 3.12Å; L112-A120 HydrophobicContact CD1-CB 3.72Å
113S86.9Confident86.8Confident66 Ų6652.5 Ų52.546%0.46228%0.275SS..  trans-64.6151172.269.20000110.7K115 N116 L117S113-K115 PolarHBondContact O-N 2.98Å; S113-N116 CarbonylContact O-C 3.35Å; S113-N116 WeakPolarHBondContact O-CA 3.41Å; S113-N116 PolarHBondContact O-N 3.3Å; S113-N116 PolarHBondContact OG-ND2 3.49Å; S113-L117 PolarHBondContact O-N 3.44Å; S113-L117 VanDerWaalsContact O-N 3.1Å
114K83Confident86.6Confident198 Ų19854 Ų5486%0.86128%0.283SS*.G310 helixtrans-53-35-178.3-69.2-175.2179.1179.50113.4N116 L117K114-N116 VanDerWaalsContact C-N 3.31Å; K114-N116 PolarHBondContact O-N 3.35Å; K114-L117 HydrophobicContact CB-CD1 4.35Å; K114-L117 HydrophobicContact CG-CD1 4.44Å
115K82.8Confident86.4Confident195 Ų19553.9 Ų53.985%0.84828%0.277SS*.G310 helixtrans-68-29.7177.1-173.4177.2177.6-178.20113S113S113-K115 PolarHBondContact O-N 2.98Å
116N86.2Confident86.6Confident70 Ų7054.5 Ų54.537%0.37428%0.282SS..G310 helixtrans-104.65.2-174.7-64.1-13.6000113.1S113 K114 G118 W119S113-N116 CarbonylContact O-C 3.35Å; S113-N116 WeakPolarHBondContact O-CA 3.41Å; S113-N116 PolarHBondContact O-N 3.3Å; S113-N116 PolarHBondContact OG-ND2 3.49Å; K114-N116 VanDerWaalsContact C-N 3.31Å; K114-N116 PolarHBondContact O-N 3.35Å; N116-G118 PolarHBondContact O-N 2.77Å; N116-G118 VanDerWaalsContact O-N 3.13Å; N116-W119 VanDerWaalsContact O-CB 3.31Å; N116-W119 WeakPolarHBondContact O-CB 3.22Å; N116-W119 PolarHBondContact O-N 3.02Å
117L83.1Confident86.8Confident35 Ų3556.5 Ų56.518%0.18330%0.302CS..THydrogen-bonded Turntrans-53-35.8178.6-85.3164.2000112.7L109 S113 K114 W119 A120 V415L109-L117 HydrophobicContact CD2-CD2 4.1Å; S113-L117 PolarHBondContact O-N 3.44Å; S113-L117 VanDerWaalsContact O-N 3.1Å; K114-L117 HydrophobicContact CB-CD1 4.35Å; K114-L117 HydrophobicContact CG-CD1 4.44Å; L117-W119 PolarHBondContact O-N 3.36Å; L117-W119 VanDerWaalsContact O-N 3.14Å; L117-A120 WeakPolarHBondContact O-CB 3.34Å; L117-A120 PolarHBondContact O-N 3.11Å; L117-V415 HydrophobicContact CB-CG1 4.02Å; L117-V415 HydrophobicContact CD2-CG1 3.87Å; L117-V415 WeakPolarHBondContact O-CG1 3.47Å
118G79.2Confident86.8Confident15 Ų1559.8 Ų59.816%0.15532%0.319CS..THydrogen-bonded Turntrans-58.3-27.4176.100000114N116 A120 S121 T312N116-G118 PolarHBondContact O-N 2.77Å; N116-G118 VanDerWaalsContact O-N 3.13Å; G118-A120 PolarHBondContact O-N 3.31Å; G118-S121 PolarHBondContact O-OG 3.2Å; G118-T312 WeakPolarHBondContact O-CG2 3.34Å
119W86.8Confident86.9Confident103 Ų10359.2 Ų59.239%0.3931%0.313SS..Hα-helixtrans-71.5-16.9177.9-69.478.4000113N116 L117 S121 T122 C123 V308N116-W119 VanDerWaalsContact O-CB 3.31Å; N116-W119 WeakPolarHBondContact O-CB 3.22Å; N116-W119 PolarHBondContact O-N 3.02Å; L117-W119 PolarHBondContact O-N 3.36Å; L117-W119 VanDerWaalsContact O-N 3.14Å; W119-S121 VanDerWaalsContact C-N 3.3Å; W119-S121 PolarHBondContact O-N 3.26Å; W119-T122 WeakPolarHBondContact O-CB 3.35Å; W119-T122 PolarHBondContact O-N 3.2Å; W119-C123 PolarHBondContact O-N 3.2Å; W119-C123 PolarHBondContact O-SG 3.49Å; W119-C123 VanDerWaalsContact O-SG 3.41Å; W119-V308 HydrophobicContact CD2-CG2 3.61Å; W119-V308 HydrophobicContact CE3-CB 4.34Å; W119-V308 HydrophobicContact CE3-CG1 4.09Å; W119-V308 HydrophobicContact CE3-CG2 3.54Å; W119-V308 HydrophobicContact CG-CG2 4.26Å; W119-V308 HydrophobicContact CH2-CB 4.24Å; W119-V308 HydrophobicContact CH2-CG1 3.23Å; W119-V308 HydrophobicContact CH2-CG2 4Å; W119-V308 HydrophobicContact CZ2-CG1 3.86Å; W119-V308 HydrophobicContact CZ2-CG2 4.06Å; W119-V308 HydrophobicContact CZ3-CB 4.08Å; W119-V308 HydrophobicContact CZ3-CG1 3.36Å; W119-V308 HydrophobicContact CZ3-CG2 3.75Å
120A88.2Confident87.1Confident7 Ų761.9 Ų61.96%0.05833%0.327CS..Hα-helixtrans-53.2-47.2179.300000112A108 L112 L117 G118 T122 C123 N124 V415A108-A120 HydrophobicContact CB-CB 3.98Å; L112-A120 HydrophobicContact CD1-CB 3.72Å; L117-A120 WeakPolarHBondContact O-CB 3.34Å; L117-A120 PolarHBondContact O-N 3.11Å; G118-A120 PolarHBondContact O-N 3.31Å; A120-T122 VanDerWaalsContact C-N 3.31Å; A120-T122 PolarHBondContact O-N 3.26Å; A120-C123 PolarHBondContact O-N 3.36Å; A120-N124 WeakPolarHBondContact O-CB 3.38Å; A120-N124 PolarHBondContact O-N 3.5Å; A120-V415 HydrophobicContact CB-CG1 4.22Å; A120-V415 HydrophobicContact CB-CG2 4.1Å
121S85.5Confident87.4Confident2 Ų259.8 Ų59.81%0.01432%0.322CS..Hα-helixtrans-65.5-36.3179.6590000112.4G118 W119 K125 L408G118-S121 PolarHBondContact O-OG 3.2Å; W119-S121 VanDerWaalsContact C-N 3.3Å; W119-S121 PolarHBondContact O-N 3.26Å; S121-K125 WeakPolarHBondContact O-CB 3.2Å; S121-K125 PolarHBondContact O-N 2.95Å; S121-L408 PolarHBondContact OG-O 2.92Å
122T88.8Confident87.5Confident1 Ų160.7 Ų60.71%0.00632%0.324CS..Hα-helixtrans-68.4-49177.1-61.60000110.5W119 A120 N124 K125 V126 P304 L305 V308W119-T122 WeakPolarHBondContact O-CB 3.35Å; W119-T122 PolarHBondContact O-N 3.2Å; A120-T122 VanDerWaalsContact C-N 3.31Å; A120-T122 PolarHBondContact O-N 3.26Å; T122-N124 VanDerWaalsContact C-N 3.31Å; T122-N124 PolarHBondContact O-N 3.3Å; T122-K125 PolarHBondContact O-N 3.47Å; T122-V126 HydrophobicContact CG2-CG2 4.14Å; T122-V126 WeakPolarHBondContact O-CB 3.1Å; T122-V126 VanDerWaalsContact O-CG2 3.23Å; T122-V126 WeakPolarHBondContact O-CG2 3.29Å; T122-V126 PolarHBondContact O-N 2.85Å; T122-P304 HydrophobicContact CG2-CB 4Å; T122-L305 HydrophobicContact CG2-CD2 4.25Å; T122-V308 HydrophobicContact CG2-CB 3.94Å; T122-V308 HydrophobicContact CG2-CG2 3.96Å; T122-V308 WeakPolarHBondContact OG1-CG2 3.41Å
123C90.2Very high87.6Confident74 Ų7458.7 Ų58.750%0.531%0.314SS..Hα-helixtrans-57.5-44.9176.5-68.20000111.5W119 A120 G127W119-C123 PolarHBondContact O-N 3.2Å; W119-C123 PolarHBondContact O-SG 3.49Å; W119-C123 VanDerWaalsContact O-SG 3.41Å; A120-C123 PolarHBondContact O-N 3.36Å; C123-G127 PolarHBondContact O-N 3.39Å
124N88.2Confident87.7Confident34 Ų3459.2 Ų59.218%0.18231%0.311CS..Hα-helixtrans-60.7-50.3176.5-167.5-16.5000110.3D105 A120 T122 V126 G127 Q128D105-N124 PolarHBondContact OD1-ND2 3.46Å; A120-N124 WeakPolarHBondContact O-CB 3.38Å; A120-N124 PolarHBondContact O-N 3.5Å; T122-N124 VanDerWaalsContact C-N 3.31Å; T122-N124 PolarHBondContact O-N 3.3Å; N124-V126 PolarHBondContact O-N 2.91Å; N124-G127 PolarHBondContact O-N 3.1Å; N124-Q128 WeakPolarHBondContact O-CG 3.3Å; N124-Q128 PolarHBondContact O-N 2.98Å; N124-Q128 PolarHBondContact OD1-NE2 3.22Å
125K88.1Confident88Confident50 Ų5051.7 Ų51.722%0.21728%0.284CS..Hα-helixtrans-62.4-43.8-179.2-173.953.9-179.1165.60113.2S121 T122 Q128 S129 P304 L404 F407 L408S121-K125 WeakPolarHBondContact O-CB 3.2Å; S121-K125 PolarHBondContact O-N 2.95Å; T122-K125 PolarHBondContact O-N 3.47Å; K125-Q128 PolarHBondContact O-N 3.19Å; K125-S129 WeakPolarHBondContact O-CB 3.33Å; K125-S129 PolarHBondContact O-N 3.43Å; K125-S129 PolarHBondContact O-OG 2.85Å; K125-S129 VanDerWaalsContact O-OG 3.07Å; K125-P304 HydrophobicContact CB-CG 4.43Å; K125-P304 HydrophobicContact CG-CB 4.4Å; K125-P304 HydrophobicContact CG-CG 3.84Å; K125-L404 HydrophobicContact CD-CD1 4.39Å; K125-L404 HydrophobicContact CG-CD1 3.72Å; K125-F407 HydrophobicContact CB-CE1 4.14Å; K125-F407 HydrophobicContact CD-CD1 4.28Å; K125-F407 HydrophobicContact CD-CE1 3.95Å; K125-F407 HydrophobicContact CG-CD1 4.44Å; K125-F407 HydrophobicContact CG-CE1 4.24Å; K125-L408 HydrophobicContact CB-CD2 4Å; K125-L408 HydrophobicContact CG-CD2 4.41Å
126V91.9Very high88.1Confident24 Ų2447.3 Ų47.315%0.14527%0.265CS..Hα-helixtrans-62.3-46.1176.6173.50000110.3T122 N124 Q128 S129 L130 F301 P304 L305T122-V126 HydrophobicContact CG2-CG2 4.14Å; T122-V126 WeakPolarHBondContact O-CB 3.1Å; T122-V126 VanDerWaalsContact O-CG2 3.23Å; T122-V126 WeakPolarHBondContact O-CG2 3.29Å; T122-V126 PolarHBondContact O-N 2.85Å; N124-V126 PolarHBondContact O-N 2.91Å; V126-Q128 PolarHBondContact O-N 3.29Å; V126-S129 PolarHBondContact O-N 3.17Å; V126-L130 VanDerWaalsContact O-CB 3.24Å; V126-L130 WeakPolarHBondContact O-CB 3.41Å; V126-L130 PolarHBondContact O-N 2.96Å; V126-F301 HydrophobicContact CG1-CB 4.44Å; V126-P304 HydrophobicContact CG2-CB 3.71Å; V126-P304 HydrophobicContact CG2-CG 4Å; V126-L305 HydrophobicContact CG2-CD2 3.82Å; V126-L305 HydrophobicContact CG2-CG 3.86Å
127G92.2Very high88.2Confident42 Ų4246.5 Ų46.543%0.43326%0.26SS..Hα-helixtrans-58.8-47177.600000112.4C123 N124 L130 G131C123-G127 PolarHBondContact O-N 3.39Å; N124-G127 PolarHBondContact O-N 3.1Å; G127-L130 PolarHBondContact O-N 2.64Å; G127-G131 PolarHBondContact O-N 3.11Å
128Q89.1Confident88.4Confident91 Ų9147 Ų4743%0.42527%0.266SS..Hα-helixtrans-61.6-49176-70.6-178.121.300112.2N124 K125 V126 L130 G131 H132N124-Q128 WeakPolarHBondContact O-CG 3.3Å; N124-Q128 PolarHBondContact O-N 2.98Å; N124-Q128 PolarHBondContact OD1-NE2 3.22Å; K125-Q128 PolarHBondContact O-N 3.19Å; V126-Q128 PolarHBondContact O-N 3.29Å; Q128-L130 VanDerWaalsContact C-N 3.35Å; Q128-L130 PolarHBondContact O-N 3.49Å; Q128-G131 PolarHBondContact O-N 3.37Å; Q128-H132 WeakPolarHBondContact O-CB 3.11Å; Q128-H132 PolarHBondContact O-N 2.93Å
129S90Very high88.9Confident7 Ų747.8 Ų47.85%0.04927%0.266CS..Hα-helixtrans-62.5-42.2-179.9-65.10000111.7K125 V126 H132 A133 D300K125-S129 WeakPolarHBondContact O-CB 3.33Å; K125-S129 PolarHBondContact O-N 3.43Å; K125-S129 PolarHBondContact O-OG 2.85Å; K125-S129 VanDerWaalsContact O-OG 3.07Å; V126-S129 PolarHBondContact O-N 3.17Å; S129-H132 PolarHBondContact O-N 2.78Å; S129-A133 WeakPolarHBondContact O-CB 3.3Å; S129-A133 PolarHBondContact O-N 3.27Å; S129-D300 WeakPolarHBondContact CB-O 3.47Å; S129-D300 PolarHBondContact OG-O 3.44Å
130L91.3Very high88.8Confident71 Ų7145.7 Ų45.737%0.37226%0.264SS..Hα-helixtrans-65.4-44.4176.8-177.364.1000111.3V126 G127 Q128 H132 A133 L134 F301V126-L130 VanDerWaalsContact O-CB 3.24Å; V126-L130 WeakPolarHBondContact O-CB 3.41Å; V126-L130 PolarHBondContact O-N 2.96Å; G127-L130 PolarHBondContact O-N 2.64Å; Q128-L130 VanDerWaalsContact C-N 3.35Å; Q128-L130 PolarHBondContact O-N 3.49Å; L130-H132 VanDerWaalsContact C-N 3.31Å; L130-H132 PolarHBondContact O-N 2.96Å; L130-A133 PolarHBondContact O-N 3.38Å; L130-L134 HydrophobicContact CD1-CD1 4.17Å; L130-L134 HydrophobicContact CD1-CG 4.2Å; L130-L134 HydrophobicContact CG-CD1 3.91Å; L130-L134 HydrophobicContact CG-CG 4.33Å; L130-L134 WeakPolarHBondContact O-CB 3.29Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.36Å; L130-L134 PolarHBondContact O-N 2.82Å; L130-F301 HydrophobicContact CB-CB 4.49Å; L130-F301 HydrophobicContact CD1-CD1 4.43Å; L130-F301 HydrophobicContact CD1-CE1 4.43Å
131G91.2Very high88.8Confident37 Ų3747.1 Ų47.138%0.38127%0.274SS..Hα-helixtrans-59.2-42.5175.600000112.2G127 Q128 L134 S135G127-G131 PolarHBondContact O-N 3.11Å; Q128-G131 PolarHBondContact O-N 3.37Å; G131-L134 PolarHBondContact O-N 3.1Å; G131-S135 WeakPolarHBondContact O-CB 3.16Å; G131-S135 PolarHBondContact O-N 3.06Å; G131-S135 PolarHBondContact O-OG 3.39Å
132H88.4Confident89Confident102 Ų10249.3 Ų49.347%0.47229%0.285SS..Hα-helixtrans-66-40.7176.7-153.9-127.7000112Q128 S129 L130 S135 F136Q128-H132 WeakPolarHBondContact O-CB 3.11Å; Q128-H132 PolarHBondContact O-N 2.93Å; S129-H132 PolarHBondContact O-N 2.78Å; L130-H132 VanDerWaalsContact C-N 3.31Å; L130-H132 PolarHBondContact O-N 2.96Å; H132-S135 PolarHBondContact O-OG 3.25Å; H132-S135 VanDerWaalsContact O-OG 3.13Å; H132-F136 WeakPolarHBondContact O-CB 3.37Å; H132-F136 PolarHBondContact O-N 2.92Å; H132-F136 VanDerWaalsContact O-N 3.08Å
133A88.3Confident89Confident8 Ų851.7 Ų51.77%0.06630%0.296CS..Hα-helixtrans-63.4-45.8174.700000112S129 L130 I137 P138 L297S129-A133 WeakPolarHBondContact O-CB 3.3Å; S129-A133 PolarHBondContact O-N 3.27Å; L130-A133 PolarHBondContact O-N 3.38Å; A133-I137 HydrophobicContact CB-CD1 4.16Å; A133-I137 WeakPolarHBondContact O-CB 3.4Å; A133-I137 PolarHBondContact O-N 3.48Å; A133-P138 WeakPolarHBondContact O-CD 3.48Å; A133-L297 HydrophobicContact CB-CB 4.13Å
134L89Confident88.8Confident77 Ų7749.3 Ų49.340%0.40328%0.28SS..Hα-helixtrans-70.1-28.3-179.3-71.8176000113.4L130 G131 P138 W173L130-L134 HydrophobicContact CD1-CD1 4.17Å; L130-L134 HydrophobicContact CD1-CG 4.2Å; L130-L134 HydrophobicContact CG-CD1 3.91Å; L130-L134 HydrophobicContact CG-CG 4.33Å; L130-L134 WeakPolarHBondContact O-CB 3.29Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.36Å; L130-L134 PolarHBondContact O-N 2.82Å; G131-L134 PolarHBondContact O-N 3.1Å; L134-P138 WeakPolarHBondContact O-CD 3.12Å; L134-P138 VanDerWaalsContact O-CG 3.3Å; L134-P138 WeakPolarHBondContact O-CG 3.38Å; L134-W173 HydrophobicContact CB-CH2 4.38Å; L134-W173 HydrophobicContact CB-CZ2 4.31Å
135S88.6Confident88.7Confident41 Ų4149.1 Ų49.129%0.28728%0.281SS..Hα-helixtrans-79.8-38.7175.767.80000112G131 H132 L139 F169G131-S135 WeakPolarHBondContact O-CB 3.16Å; G131-S135 PolarHBondContact O-N 3.06Å; G131-S135 PolarHBondContact O-OG 3.39Å; H132-S135 PolarHBondContact O-OG 3.25Å; H132-S135 VanDerWaalsContact O-OG 3.13Å; S135-L139 WeakPolarHBondContact O-CB 3.5Å; S135-F169 WeakPolarHBondContact O-CE2 3.48Å; S135-F169 VanDerWaalsContact O-CZ 3.32Å; S135-F169 WeakPolarHBondContact O-CZ 3.49Å
136F86.9Confident88.6Confident103 Ų10352.6 Ų52.645%0.45230%0.302SS..Hα-helixtrans-88.5-49.8-172.2-129.4-90.3000113.5H132 L139 V140 L294 L297H132-F136 WeakPolarHBondContact O-CB 3.37Å; H132-F136 PolarHBondContact O-N 2.92Å; H132-F136 VanDerWaalsContact O-N 3.08Å; F136-L139 PolarHBondContact O-N 3.38Å; F136-V140 HydrophobicContact CD1-CG2 3.93Å; F136-V140 HydrophobicContact CE1-CG2 4.13Å; F136-V140 WeakPolarHBondContact O-CG2 3.48Å; F136-V140 PolarHBondContact O-N 3Å; F136-L294 HydrophobicContact CD1-CD1 4.07Å; F136-L297 HydrophobicContact CB-CD1 4.22Å
137I86.8Confident88.3Confident52 Ų5254.1 Ų54.127%0.26731%0.308SS..Hα-helixtrans-65.8-53.2-170.7-62.4167000111.4A133 L139 V140 C141 L294 L297A133-I137 HydrophobicContact CB-CD1 4.16Å; A133-I137 WeakPolarHBondContact O-CB 3.4Å; A133-I137 PolarHBondContact O-N 3.48Å; I137-L139 VanDerWaalsContact C-N 3.31Å; I137-L139 PolarHBondContact O-N 2.91Å; I137-V140 PolarHBondContact O-N 2.9Å; I137-C141 VanDerWaalsContact O-CB 3.28Å; I137-C141 WeakPolarHBondContact O-CB 3.47Å; I137-C141 PolarHBondContact O-N 3.44Å; I137-C141 PolarHBondContact O-SG 3.2Å; I137-L294 HydrophobicContact CG1-CD1 3.69Å; I137-L294 HydrophobicContact CG1-CG 4.26Å; I137-L297 HydrophobicContact CD1-CB 4.34Å; I137-L297 HydrophobicContact CD1-CD1 4.44Å; I137-L297 HydrophobicContact CG1-CD1 4.26Å
138P88Confident88Confident47 Ų4752.1 Ų52.131%0.30529%0.288SS..Hα-helixtrans-62.9-38.9178.8-21.635.3000112A133 L134 L142A133-P138 WeakPolarHBondContact O-CD 3.48Å; L134-P138 WeakPolarHBondContact O-CD 3.12Å; L134-P138 VanDerWaalsContact O-CG 3.3Å; L134-P138 WeakPolarHBondContact O-CG 3.38Å; P138-L142 HydrophobicContact CB-CD1 4.34Å; P138-L142 WeakPolarHBondContact O-CB 3.48Å; P138-L142 WeakPolarHBondContact O-CG 3.42Å; P138-L142 PolarHBondContact O-N 3.17Å
139L89.5Confident88Confident31 Ų3149 Ų4916%0.16227%0.274CS..Hα-helixtrans-59.7-56.3178.8174.657.9000111S135 F136 I137 C141 L142 E143 F165 F169S135-L139 WeakPolarHBondContact O-CB 3.5Å; F136-L139 PolarHBondContact O-N 3.38Å; I137-L139 VanDerWaalsContact C-N 3.31Å; I137-L139 PolarHBondContact O-N 2.91Å; L139-C141 VanDerWaalsContact C-N 3.33Å; L139-C141 PolarHBondContact O-N 3.42Å; L139-L142 PolarHBondContact O-N 2.94Å; L139-E143 HydrophobicContact CD1-CB 3.86Å; L139-E143 HydrophobicContact CD1-CG 4.32Å; L139-E143 WeakPolarHBondContact O-CB 3.29Å; L139-E143 PolarHBondContact O-N 3Å; L139-F165 HydrophobicContact CD1-CD2 3.66Å; L139-F165 HydrophobicContact CD1-CE2 4.26Å; L139-F165 HydrophobicContact CD2-CD2 3.91Å; L139-F165 HydrophobicContact CD2-CE2 3.66Å; L139-F165 HydrophobicContact CG-CD2 4.43Å; L139-F169 HydrophobicContact CB-CD2 3.96Å; L139-F169 HydrophobicContact CB-CE2 3.76Å; L139-F169 HydrophobicContact CB-CZ 4.25Å; L139-F169 HydrophobicContact CD1-CB 4.09Å; L139-F169 HydrophobicContact CD1-CD1 4.36Å; L139-F169 HydrophobicContact CD1-CD2 4.02Å; L139-F169 HydrophobicContact CD1-CG 3.91Å; L139-F169 HydrophobicContact CD2-CD1 4.39Å; L139-F169 HydrophobicContact CD2-CE1 4.22Å; L139-F169 HydrophobicContact CD2-CZ 4.28Å; L139-F169 HydrophobicContact CG-CD2 4.43Å; L139-F169 HydrophobicContact CG-CE2 4.49Å
140V84.9Confident87.9Confident58 Ų5855.7 Ų55.735%0.35230%0.302SS..Hα-helixtrans-62.1-42.3-178.11730000111.3F136 I137 L142 S144F136-V140 HydrophobicContact CD1-CG2 3.93Å; F136-V140 HydrophobicContact CE1-CG2 4.13Å; F136-V140 WeakPolarHBondContact O-CG2 3.48Å; F136-V140 PolarHBondContact O-N 3Å; I137-V140 PolarHBondContact O-N 2.9Å; V140-L142 VanDerWaalsContact C-N 3.35Å; V140-L142 PolarHBondContact O-N 3.13Å; V140-S144 WeakPolarHBondContact O-CB 3.4Å; V140-S144 PolarHBondContact O-N 2.98Å
141C87.3Confident87.7Confident38 Ų3859.9 Ų59.926%0.25731%0.314SS..Hα-helixtrans-69.5-29.1-178.4-71.10000114I137 L139 I147 P148I137-C141 VanDerWaalsContact O-CB 3.28Å; I137-C141 WeakPolarHBondContact O-CB 3.47Å; I137-C141 PolarHBondContact O-N 3.44Å; I137-C141 PolarHBondContact O-SG 3.2Å; L139-C141 VanDerWaalsContact C-N 3.33Å; L139-C141 PolarHBondContact O-N 3.42Å; C141-I147 HydrophobicContact CB-CD1 4.48Å; C141-I147 HydrophobicContact CB-CG2 4.33Å; C141-I147 WeakPolarHBondContact O-CG2 3.24Å; C141-P148 WeakPolarHBondContact O-CD 3.36Å; C141-P148 WeakPolarHBondContact O-CG 3.47Å
142L90.6Very high87.5Confident48 Ų4863 Ų6325%0.25132%0.322SS..Hα-helixtrans-103.8-25.7-174.4-60175.3000113.2P138 L139 V140 L152 G161 L162 I163P138-L142 HydrophobicContact CB-CD1 4.34Å; P138-L142 WeakPolarHBondContact O-CB 3.48Å; P138-L142 WeakPolarHBondContact O-CG 3.42Å; P138-L142 PolarHBondContact O-N 3.17Å; L139-L142 PolarHBondContact O-N 2.94Å; V140-L142 VanDerWaalsContact C-N 3.35Å; V140-L142 PolarHBondContact O-N 3.13Å; L142-L152 HydrophobicContact CD2-CD1 3.94Å; L142-G161 CarbonylContact O-C 3.53Å; L142-L162 HydrophobicContact CB-CB 4.43Å; L142-L162 HydrophobicContact CD2-CB 4.38Å; L142-L162 HydrophobicContact CD2-CD2 3.94Å; L142-L162 WeakPolarHBondContact O-CA 3.48Å; L142-L162 WeakPolarHBondContact O-CB 3.45Å; L142-L162 PolarHBondContact O-N 2.94Å; L142-I163 HydrophobicContact CB-CB 4.5Å; L142-I163 HydrophobicContact CB-CD1 3.67Å; L142-I163 HydrophobicContact CB-CG1 3.63Å; L142-I163 HydrophobicContact CB-CG2 4.3Å; L142-I163 HydrophobicContact CD1-CD1 4.11Å; L142-I163 PolarHBondContact O-N 3.17Å; L142-I163 VanDerWaalsContact O-N 3.09Å
143E89.6Confident87.5Confident50 Ų5060.8 Ų60.823%0.23431%0.309CS..Hα-helixtrans-87.1-36.4179.8-171.9-85.2171.200112.4W72 L139 G161 I163W72-E143 VanDerWaalsContact CD1-O 3.32Å; L139-E143 HydrophobicContact CD1-CB 3.86Å; L139-E143 HydrophobicContact CD1-CG 4.32Å; L139-E143 WeakPolarHBondContact O-CB 3.29Å; L139-E143 PolarHBondContact O-N 3Å; E143-G161 VanDerWaalsContact O-CA 3.31Å; E143-G161 WeakPolarHBondContact O-CA 3.37Å; E143-I163 WeakPolarHBondContact CA-O 3.49Å; E143-I163 HydrophobicContact CB-CG1 4.39Å
144S86Confident87.5Confident24 Ų2472.6 Ų72.617%0.16835%0.352CS..SBendtrans-59.5135.11731720000110.1V140 D146 P148V140-S144 WeakPolarHBondContact O-CB 3.4Å; V140-S144 PolarHBondContact O-N 2.98Å; S144-D146 VanDerWaalsContact C-N 3.29Å; S144-D146 PolarHBondContact O-N 3.49Å; S144-D146 PolarHBondContact OG-N 2.9Å; S144-P148 WeakPolarHBondContact O-CD 3.37Å; S144-P148 VanDerWaalsContact O-CG 3.3Å; S144-P148 WeakPolarHBondContact O-CG 3.16Å
145P85.3Confident87.4Confident31 Ų3174 Ų7420%0.20136%0.364CS..SBendtrans-65.2-30.1172.9-24.635.2000113.7N149P145-N149 WeakPolarHBondContact O-CB 3.29Å; P145-N149 VanDerWaalsContact O-CG 3.24Å; P145-N149 PolarHBondContact O-N 3.27Å; P145-N149 PolarHBondContact O-ND2 2.92Å
146D85.3Confident87.4Confident122 Ų12276.7 Ų76.765%0.65238%0.38SS*.Hα-helixtrans-67.8-48.3-169.1-62.3-43.5000112.5S144 K150S144-D146 VanDerWaalsContact C-N 3.29Å; S144-D146 PolarHBondContact O-N 3.49Å; S144-D146 PolarHBondContact OG-N 2.9Å; D146-K150 WeakPolarHBondContact O-CB 3.16Å; D146-K150 PolarHBondContact O-N 3.35Å
147I85.8Confident87.4Confident56 Ų5675.4 Ų75.429%0.28738%0.378SS..Hα-helixtrans-67.8-50.6-174.1-68.5179.1000111.3C141 N149 K150 Y151C141-I147 HydrophobicContact CB-CD1 4.48Å; C141-I147 HydrophobicContact CB-CG2 4.33Å; C141-I147 WeakPolarHBondContact O-CG2 3.24Å; I147-N149 PolarHBondContact O-N 3.39Å; I147-K150 PolarHBondContact O-N 3.28Å; I147-Y151 HydrophobicContact CG2-CD2 4.17Å; I147-Y151 WeakPolarHBondContact O-CB 3.31Å; I147-Y151 WeakPolarHBondContact O-CD2 3.39Å; I147-Y151 PolarHBondContact O-N 2.94Å
148P87Confident87.4Confident0 Ų080.8 Ų80.80%040%0.402CS..Iπ-helixtrans-63.1-41.4178.2-22.635000113C141 S144 K150 L152 R153 L162C141-P148 WeakPolarHBondContact O-CD 3.36Å; C141-P148 WeakPolarHBondContact O-CG 3.47Å; S144-P148 WeakPolarHBondContact O-CD 3.37Å; S144-P148 VanDerWaalsContact O-CG 3.3Å; S144-P148 WeakPolarHBondContact O-CG 3.16Å; P148-K150 VanDerWaalsContact C-N 3.31Å; P148-K150 PolarHBondContact O-N 3.48Å; P148-L152 HydrophobicContact CB-CB 4.38Å; P148-L152 HydrophobicContact CB-CD1 4.16Å; P148-L152 HydrophobicContact CG-CD1 4.34Å; P148-L152 CarbonylContact O-C 3.56Å; P148-L152 WeakPolarHBondContact O-CA 3.32Å; P148-L152 PolarHBondContact O-N 3.47Å; P148-R153 PolarHBondContact O-N 2.83Å; P148-L162 HydrophobicContact CB-CB 4.17Å; P148-L162 HydrophobicContact CB-CD1 4.15Å; P148-L162 HydrophobicContact CG-CB 4.09Å
149N87.6Confident87.1Confident25 Ų2584.1 Ų84.113%0.13442%0.417CS..Iπ-helixtrans-66.9-32.7179.1-76.8-30.5000113.1P145 I147 R153 P156 I157P145-N149 WeakPolarHBondContact O-CB 3.29Å; P145-N149 VanDerWaalsContact O-CG 3.24Å; P145-N149 PolarHBondContact O-N 3.27Å; P145-N149 PolarHBondContact O-ND2 2.92Å; I147-N149 PolarHBondContact O-N 3.39Å; N149-R153 WeakPolarHBondContact OD1-CD 3.4Å; N149-R153 PolarHBondContact OD1-NH1 3.36Å; N149-P156 HydrophobicContact CB-CB 4.07Å; N149-P156 WeakPolarHBondContact OD1-CA 3.48Å; N149-I157 PolarHBondContact ND2-O 3.24Å; N149-I157 PolarHBondContact OD1-N 3.41Å; N149-I157 PolarHBondContact OD1-O 2.88Å
150K87.8Confident87.1Confident149 Ų14987.4 Ų87.465%0.64843%0.43SS*.Iπ-helixtrans-85.2-37.3-179.1-172.2171.7179.8-174.30113.7D146 I147 P148D146-K150 WeakPolarHBondContact O-CB 3.16Å; D146-K150 PolarHBondContact O-N 3.35Å; I147-K150 PolarHBondContact O-N 3.28Å; P148-K150 VanDerWaalsContact C-N 3.31Å; P148-K150 PolarHBondContact O-N 3.48Å
151Y87.4Confident87.3Confident158 Ų15884.7 Ų84.762%0.6241%0.413SS*.Iπ-helixtrans-119.5-24.8-167.8-59.7-72.4000115I147I147-Y151 HydrophobicContact CG2-CD2 4.17Å; I147-Y151 WeakPolarHBondContact O-CB 3.31Å; I147-Y151 WeakPolarHBondContact O-CD2 3.39Å; I147-Y151 PolarHBondContact O-N 2.94Å
152L87.7Confident87.4Confident104 Ų10487 Ų8755%0.54542%0.423SS..Iπ-helixtrans-108.5-37.5-173-67.1162.6000113.2L142 P148L142-L152 HydrophobicContact CD2-CD1 3.94Å; P148-L152 HydrophobicContact CB-CB 4.38Å; P148-L152 HydrophobicContact CB-CD1 4.16Å; P148-L152 HydrophobicContact CG-CD1 4.34Å; P148-L152 CarbonylContact O-C 3.56Å; P148-L152 WeakPolarHBondContact O-CA 3.32Å; P148-L152 PolarHBondContact O-N 3.47Å
153R87.2Confident87.5Confident55 Ų5586.5 Ų86.521%0.20842%0.42CS..  trans-88.3142.4-179.1-68.9-169.5179.2127.30.9110.9P148 N149 K160 G161P148-R153 PolarHBondContact O-N 2.83Å; N149-R153 WeakPolarHBondContact OD1-CD 3.4Å; N149-R153 PolarHBondContact OD1-NH1 3.36Å; R153-K160 PolarHBondContact NH1-O 2.87Å; R153-G161 PolarHBondContact NH2-O 2.96Å
154R88.4Confident87.6Confident255 Ų25585.1 Ų85.196%0.96242%0.415SS*.SBendtrans-73.8-38.8167.4-69.5-177.6178.6176.6-0.7111.8
155T88.7Confident87.9Confident107 Ų10785.3 Ų85.366%0.65641%0.413SS*.SBendtrans-117.7114.1176.447.20000109.4
156P86.8Confident88.2Confident97 Ų9784.2 Ų84.263%0.6341%0.406SS*.  trans-57.7140.6176.2-25.635.3000111.8N149N149-P156 HydrophobicContact CB-CB 4.07Å; N149-P156 WeakPolarHBondContact OD1-CA 3.48Å
157I88.4Confident88.4Confident76 Ų7682.5 Ų82.539%0.3940%0.4SS..  trans-118117.8172-52.9174.4000107.2N149 D159 K160N149-I157 PolarHBondContact ND2-O 3.24Å; N149-I157 PolarHBondContact OD1-N 3.41Å; N149-I157 PolarHBondContact OD1-O 2.88Å; I157-D159 PolarHBondContact O-N 2.91Å; I157-K160 HydrophobicContact CG2-CB 4.22Å; I157-K160 HydrophobicContact CG2-CD 3.88Å; I157-K160 HydrophobicContact CG2-CG 4.18Å; I157-K160 PolarHBondContact O-N 3.46Å
158E85.3Confident88.6Confident166 Ų16680.9 Ų80.978%0.77640%0.397SS*.THydrogen-bonded Turntrans-55.1135.3-176.9-164.9171.2-165.600111.6K160E158-K160 PolarHBondContact O-N 3.1Å
159D83.2Confident88.9Confident116 Ų11682 Ų8262%0.6240%0.402SS*.THydrogen-bonded Turntrans54.220.2176.2-58.3-28.2000117.3W72 I157W72-D159 VanDerWaalsContact CB-O 3.23Å; W72-D159 WeakPolarHBondContact CB-O 3.26Å; I157-D159 PolarHBondContact O-N 2.91Å
160K88Confident89.3Confident100 Ų10081.1 Ų81.144%0.43540%0.397SS..  trans-119124.6178.7-63.8-168.3-175.3179.40113W72 R153 I157 E158W72-K160 HydrophobicContact CD2-CB 4.3Å; W72-K160 HydrophobicContact CD2-CG 4.42Å; W72-K160 HydrophobicContact CE3-CB 4.01Å; W72-K160 HydrophobicContact CE3-CD 4.22Å; W72-K160 HydrophobicContact CE3-CG 3.69Å; W72-K160 HydrophobicContact CH2-CB 4.42Å; W72-K160 HydrophobicContact CH2-CD 4.44Å; W72-K160 HydrophobicContact CZ3-CB 4.09Å; W72-K160 HydrophobicContact CZ3-CD 3.78Å; W72-K160 HydrophobicContact CZ3-CG 3.76Å; R153-K160 PolarHBondContact NH1-O 2.87Å; I157-K160 HydrophobicContact CG2-CB 4.22Å; I157-K160 HydrophobicContact CG2-CD 3.88Å; I157-K160 HydrophobicContact CG2-CG 4.18Å; I157-K160 PolarHBondContact O-N 3.46Å; E158-K160 PolarHBondContact O-N 3.1Å
161G89.3Confident89.6Confident1 Ų177.7 Ų77.71%0.0138%0.381CS..  trans-68.5175.716100000112.6W72 L142 E143 R153W72-G161 WeakPolarHBondContact CZ2-O 3.37Å; L142-G161 CarbonylContact O-C 3.53Å; E143-G161 VanDerWaalsContact O-CA 3.31Å; E143-G161 WeakPolarHBondContact O-CA 3.37Å; R153-G161 PolarHBondContact NH2-O 2.96Å
162L89.5Confident90Very high87 Ų8774 Ų7446%0.45537%0.374SS..SBendtrans-77.4-35.6172.5-148.885.1000111.6L142 P148L142-L162 HydrophobicContact CB-CB 4.43Å; L142-L162 HydrophobicContact CD2-CB 4.38Å; L142-L162 HydrophobicContact CD2-CD2 3.94Å; L142-L162 WeakPolarHBondContact O-CA 3.48Å; L142-L162 WeakPolarHBondContact O-CB 3.45Å; L142-L162 PolarHBondContact O-N 2.94Å; P148-L162 HydrophobicContact CB-CB 4.17Å; P148-L162 HydrophobicContact CB-CD1 4.15Å; P148-L162 HydrophobicContact CG-CB 4.09Å
163I92.6Very high90.3Very high37 Ų3772.9 Ų72.919%0.1936%0.363CS..SBendtrans-126.8154.8177.872.3177000110.2W72 L142 E143 F169W72-I163 PolarHBondContact NE1-O 2.91Å; L142-I163 HydrophobicContact CB-CB 4.5Å; L142-I163 HydrophobicContact CB-CD1 3.67Å; L142-I163 HydrophobicContact CB-CG1 3.63Å; L142-I163 HydrophobicContact CB-CG2 4.3Å; L142-I163 HydrophobicContact CD1-CD1 4.11Å; L142-I163 PolarHBondContact O-N 3.17Å; L142-I163 VanDerWaalsContact O-N 3.09Å; E143-I163 WeakPolarHBondContact CA-O 3.49Å; E143-I163 HydrophobicContact CB-CG1 4.39Å; I163-F169 HydrophobicContact CD1-CB 4.35Å
164T92.6Very high90.7Very high21 Ų2170.2 Ų70.213%0.12935%0.353CS..  trans-93.7155.1168.559.10000110.2A71 W72 V167 G168 F169A71-T164 HydrophobicContact CB-CG2 3.67Å; W72-T164 HydrophobicContact CD2-CG2 4.38Å; W72-T164 HydrophobicContact CH2-CG2 3.79Å; W72-T164 HydrophobicContact CZ2-CG2 3.45Å; W72-T164 VanDerWaalsContact CZ2-CG2 3.45Å; W72-T164 HydrophobicContact CZ3-CG2 4.37Å; T164-V167 PolarHBondContact OG1-N 2.68Å; T164-G168 CarbonylContact O-C 3.5Å; T164-G168 WeakPolarHBondContact O-CA 3.5Å; T164-G168 PolarHBondContact O-N 2.6Å; T164-G168 PolarHBondContact OG1-N 2.91Å; T164-F169 PolarHBondContact O-N 3.1Å; T164-F169 VanDerWaalsContact O-N 3.11Å
165F91.8Very high91.1Very high28 Ų2863.6 Ų63.612%0.12333%0.332CS..Iπ-helixtrans-63.4-45.6176.8-175-119.4000112.3I60 F64 L139 F169 L170I60-F165 HydrophobicContact CD1-CE1 4.28Å; I60-F165 HydrophobicContact CG1-CD1 3.9Å; I60-F165 HydrophobicContact CG1-CE1 3.76Å; I60-F165 HydrophobicContact CG2-CD1 4.19Å; F64-F165 HydrophobicContact CD2-CD1 4.49Å; F64-F165 AromaticContact CE2-CD1 3.5Å; F64-F165 HydrophobicContact CE2-CD1 3.5Å; F64-F165 VanDerWaalsContact CE2-CD1 3.5Å; F64-F165 AromaticContact CE2-CE1 3.71Å; F64-F165 HydrophobicContact CE2-CE1 3.71Å; F64-F165 HydrophobicContact CE2-CG 4.48Å; F64-F165 HydrophobicContact CZ-CD1 4.1Å; F64-F165 AromaticContact CZ-CE1 3.81Å; F64-F165 HydrophobicContact CZ-CE1 3.81Å; L139-F165 HydrophobicContact CD1-CD2 3.66Å; L139-F165 HydrophobicContact CD1-CE2 4.26Å; L139-F165 HydrophobicContact CD2-CD2 3.91Å; L139-F165 HydrophobicContact CD2-CE2 3.66Å; L139-F165 HydrophobicContact CG-CD2 4.43Å; F165-F169 HydrophobicContact CD2-CB 4.47Å; F165-F169 HydrophobicContact CD2-CD1 4.13Å; F165-F169 AromaticContact CE2-CD1 3.89Å; F165-F169 HydrophobicContact CE2-CD1 3.89Å; F165-F169 HydrophobicContact CE2-CE1 4.3Å; F165-F169 WeakPolarHBondContact O-CB 3.39Å; F165-F169 PolarHBondContact O-N 3.2Å; F165-L170 HydrophobicContact CD1-CD1 4.19Å; F165-L170 HydrophobicContact CE1-CD1 3.93Å; F165-L170 HydrophobicContact CE1-CG 4.36Å; F165-L170 HydrophobicContact CZ-CD1 4.34Å; F165-L170 HydrophobicContact CZ-CD2 4.2Å; F165-L170 HydrophobicContact CZ-CG 4.34Å; F165-L170 WeakPolarHBondContact O-CG 3.43Å; F165-L170 PolarHBondContact O-N 2.93Å
166S92.6Very high91.4Very high8 Ų859.9 Ų59.96%0.05631%0.31CS..Iπ-helixtrans-61.9-78.5176.7162.60000112.1A57 D61 L170 Y171A57-S166 WeakPolarHBondContact O-CB 3.33Å; A57-S166 PolarHBondContact O-OG 2.89Å; D61-S166 WeakPolarHBondContact OD2-CB 3.36Å; S166-L170 WeakPolarHBondContact O-CB 3.21Å; S166-L170 PolarHBondContact O-N 2.53Å; S166-Y171 PolarHBondContact O-N 3.11Å
167V89.4Confident91.8Very high86 Ų8658.1 Ų58.152%0.52129%0.292SS..Iπ-helixtrans-74.8-38.4-169.1-1800000111.7T164 Y171T164-V167 PolarHBondContact OG1-N 2.68Å; V167-Y171 HydrophobicContact CB-CD2 4.1Å; V167-Y171 HydrophobicContact CG1-CD2 3.99Å; V167-Y171 HydrophobicContact CG2-CD2 4.14Å; V167-Y171 HydrophobicContact CG2-CE2 4.07Å
168G89Confident92.2Very high22 Ų2256.4 Ų56.423%0.22729%0.285CS..Iπ-helixtrans-77.2-33.2-174.900000114.4T164 V172T164-G168 CarbonylContact O-C 3.5Å; T164-G168 WeakPolarHBondContact O-CA 3.5Å; T164-G168 PolarHBondContact O-N 2.6Å; T164-G168 PolarHBondContact OG1-N 2.91Å; G168-V172 WeakPolarHBondContact O-CG2 3.46Å
169F94.2Very high92.7Very high23 Ų2353.2 Ų53.210%0.10127%0.272CS..Iπ-helixtrans-110.5-57.6-175.2-175.7-95.8000112.6S135 L139 I163 T164 F165 V172 W173S135-F169 WeakPolarHBondContact O-CE2 3.48Å; S135-F169 VanDerWaalsContact O-CZ 3.32Å; S135-F169 WeakPolarHBondContact O-CZ 3.49Å; L139-F169 HydrophobicContact CB-CD2 3.96Å; L139-F169 HydrophobicContact CB-CE2 3.76Å; L139-F169 HydrophobicContact CB-CZ 4.25Å; L139-F169 HydrophobicContact CD1-CB 4.09Å; L139-F169 HydrophobicContact CD1-CD1 4.36Å; L139-F169 HydrophobicContact CD1-CD2 4.02Å; L139-F169 HydrophobicContact CD1-CG 3.91Å; L139-F169 HydrophobicContact CD2-CD1 4.39Å; L139-F169 HydrophobicContact CD2-CE1 4.22Å; L139-F169 HydrophobicContact CD2-CZ 4.28Å; L139-F169 HydrophobicContact CG-CD2 4.43Å; L139-F169 HydrophobicContact CG-CE2 4.49Å; I163-F169 HydrophobicContact CD1-CB 4.35Å; T164-F169 PolarHBondContact O-N 3.1Å; T164-F169 VanDerWaalsContact O-N 3.11Å; F165-F169 HydrophobicContact CD2-CB 4.47Å; F165-F169 HydrophobicContact CD2-CD1 4.13Å; F165-F169 AromaticContact CE2-CD1 3.89Å; F165-F169 HydrophobicContact CE2-CD1 3.89Å; F165-F169 HydrophobicContact CE2-CE1 4.3Å; F165-F169 WeakPolarHBondContact O-CB 3.39Å; F165-F169 PolarHBondContact O-N 3.2Å; F169-V172 PolarHBondContact O-N 3.15Å; F169-W173 AromaticContact CD2-CD1 3.74Å; F169-W173 AromaticContact CD2-NE1 3.7Å; F169-W173 AromaticContact CE1-CD1 3.82Å; F169-W173 AromaticContact CE2-CD1 3.51Å; F169-W173 AromaticContact CE2-NE1 3.17Å; F169-W173 AromaticContact CZ-CD1 3.54Å; F169-W173 AromaticContact CZ-NE1 3.48Å; F169-W173 VanDerWaalsContact O-CD1 3.29Å; F169-W173 PolarHBondContact O-N 3.18Å
170L95.2Very high93.2Very high8 Ų854 Ų544%0.04227%0.271CS..Iπ-helixtrans-66.5-43.4-174.5-66.4176.1000112.7L53 L56 A57 I60 F165 S166 V172 W173 G174L53-L170 HydrophobicContact CD2-CD2 3.92Å; L56-L170 HydrophobicContact CB-CD1 4.5Å; L56-L170 HydrophobicContact CD2-CD1 4.11Å; L56-L170 HydrophobicContact CD2-CD2 4.49Å; L56-L170 HydrophobicContact CG-CD1 3.92Å; A57-L170 HydrophobicContact CB-CB 3.74Å; A57-L170 HydrophobicContact CB-CD1 4.47Å; I60-L170 HydrophobicContact CB-CD1 4.25Å; I60-L170 HydrophobicContact CG1-CD1 4.41Å; I60-L170 HydrophobicContact CG2-CD1 3.9Å; F165-L170 HydrophobicContact CD1-CD1 4.19Å; F165-L170 HydrophobicContact CE1-CD1 3.93Å; F165-L170 HydrophobicContact CE1-CG 4.36Å; F165-L170 HydrophobicContact CZ-CD1 4.34Å; F165-L170 HydrophobicContact CZ-CD2 4.2Å; F165-L170 HydrophobicContact CZ-CG 4.34Å; F165-L170 WeakPolarHBondContact O-CG 3.43Å; F165-L170 PolarHBondContact O-N 2.93Å; S166-L170 WeakPolarHBondContact O-CB 3.21Å; S166-L170 PolarHBondContact O-N 2.53Å; L170-V172 PolarHBondContact O-N 2.66Å; L170-W173 PolarHBondContact O-N 2.8Å; L170-G174 PolarHBondContact O-N 3.49Å
171Y95.1Very high93.6Very high76 Ų7649.3 Ų49.330%0.29825%0.25SS..Hα-helixtrans-62.5-44.6175.8-83.2-36.4000112.4L54 A57 S166 V167 W173 G174 F175L54-Y171 HydrophobicContact CB-CD1 4.41Å; L54-Y171 HydrophobicContact CB-CE1 4.41Å; L54-Y171 HydrophobicContact CD2-CD1 3.59Å; L54-Y171 HydrophobicContact CD2-CE1 4.27Å; L54-Y171 VanDerWaalsContact O-CE1 3.3Å; L54-Y171 WeakPolarHBondContact O-CE1 3.19Å; A57-Y171 HydrophobicContact CB-CD1 3.5Å; A57-Y171 VanDerWaalsContact CB-CD1 3.5Å; A57-Y171 HydrophobicContact CB-CD2 4.23Å; A57-Y171 HydrophobicContact CB-CE1 3.56Å; A57-Y171 HydrophobicContact CB-CE2 4.23Å; A57-Y171 HydrophobicContact CB-CG 3.84Å; S166-Y171 PolarHBondContact O-N 3.11Å; V167-Y171 HydrophobicContact CB-CD2 4.1Å; V167-Y171 HydrophobicContact CG1-CD2 3.99Å; V167-Y171 HydrophobicContact CG2-CD2 4.14Å; V167-Y171 HydrophobicContact CG2-CE2 4.07Å; Y171-W173 VanDerWaalsContact C-N 3.32Å; Y171-W173 PolarHBondContact O-N 3.39Å; Y171-G174 PolarHBondContact O-N 2.88Å; Y171-F175 WeakPolarHBondContact O-CD2 3.39Å; Y171-F175 PolarHBondContact O-N 2.91Å
172V94.5Very high93.8Very high81 Ų8151.5 Ų51.549%0.49126%0.264SS..Hα-helixtrans-58.8-46.1179.8173.30000110.7G168 F169 L170 S176G168-V172 WeakPolarHBondContact O-CG2 3.46Å; F169-V172 PolarHBondContact O-N 3.15Å; L170-V172 PolarHBondContact O-N 2.66Å; V172-S176 VanDerWaalsContact O-CB 3.3Å; V172-S176 WeakPolarHBondContact O-CB 3.3Å; V172-S176 PolarHBondContact O-N 3.1Å; V172-S176 PolarHBondContact O-OG 3.48Å
173W94.7Very high94Very high80 Ų8051 Ų5130%0.30326%0.261SS..Hα-helixtrans-69.7-39.9176.6-78.2110.7000112.7L53 L134 F169 L170 Y171 F175 S176 F177L53-W173 HydrophobicContact CD1-CB 4.3Å; L134-W173 HydrophobicContact CB-CH2 4.38Å; L134-W173 HydrophobicContact CB-CZ2 4.31Å; F169-W173 AromaticContact CD2-CD1 3.74Å; F169-W173 AromaticContact CD2-NE1 3.7Å; F169-W173 AromaticContact CE1-CD1 3.82Å; F169-W173 AromaticContact CE2-CD1 3.51Å; F169-W173 AromaticContact CE2-NE1 3.17Å; F169-W173 AromaticContact CZ-CD1 3.54Å; F169-W173 AromaticContact CZ-NE1 3.48Å; F169-W173 VanDerWaalsContact O-CD1 3.29Å; F169-W173 PolarHBondContact O-N 3.18Å; L170-W173 PolarHBondContact O-N 2.8Å; Y171-W173 VanDerWaalsContact C-N 3.32Å; Y171-W173 PolarHBondContact O-N 3.39Å; W173-F175 PolarHBondContact O-N 2.68Å; W173-S176 WeakPolarHBondContact O-CB 3.11Å; W173-S176 PolarHBondContact O-N 3.43Å; W173-S176 VanDerWaalsContact O-N 3.17Å; W173-F177 HydrophobicContact CE3-CE2 4.48Å; W173-F177 WeakPolarHBondContact O-CD2 3.34Å; W173-F177 PolarHBondContact O-N 3.18Å
174G96.3Very high93.9Very high0 Ų051.1 Ų51.10%026%0.262CS..Hα-helixtrans-56.2-50.9175.500000112.3L170 Y171 S176 F177 V178L170-G174 PolarHBondContact O-N 3.49Å; Y171-G174 PolarHBondContact O-N 2.88Å; G174-S176 PolarHBondContact O-N 3.32Å; G174-F177 PolarHBondContact O-N 3.17Å; G174-V178 WeakPolarHBondContact O-CG2 3.3Å; G174-V178 PolarHBondContact O-N 3.32Å
175F96.1Very high93.7Very high116 Ų11652.1 Ų52.151%0.50927%0.266SS..Hα-helixtrans-63.9-40174.4-76.5-64.1000112.5L54 Y171 W173 F177 V178 I179L54-F175 HydrophobicContact CD1-CE1 4.37Å; L54-F175 HydrophobicContact CD2-CD1 4.36Å; L54-F175 HydrophobicContact CD2-CD2 3.8Å; L54-F175 HydrophobicContact CD2-CE1 4.33Å; L54-F175 HydrophobicContact CD2-CE2 3.75Å; L54-F175 HydrophobicContact CD2-CG 4.1Å; L54-F175 HydrophobicContact CD2-CZ 4.03Å; Y171-F175 WeakPolarHBondContact O-CD2 3.39Å; Y171-F175 PolarHBondContact O-N 2.91Å; W173-F175 PolarHBondContact O-N 2.68Å; F175-F177 VanDerWaalsContact C-N 3.33Å; F175-F177 PolarHBondContact O-N 2.98Å; F175-V178 PolarHBondContact O-N 2.93Å; F175-I179 VanDerWaalsContact O-CG1 3.29Å; F175-I179 WeakPolarHBondContact O-CG1 3.31Å; F175-I179 PolarHBondContact O-N 3.47Å
176S94.9Very high93.4Very high29 Ų2953.8 Ų53.820%0.20328%0.276CS..Hα-helixtrans-59.3-44.4177-62.50000111.5V172 W173 G174 V178 I179 F180V172-S176 VanDerWaalsContact O-CB 3.3Å; V172-S176 WeakPolarHBondContact O-CB 3.3Å; V172-S176 PolarHBondContact O-N 3.1Å; V172-S176 PolarHBondContact O-OG 3.48Å; W173-S176 WeakPolarHBondContact O-CB 3.11Å; W173-S176 PolarHBondContact O-N 3.43Å; W173-S176 VanDerWaalsContact O-N 3.17Å; G174-S176 PolarHBondContact O-N 3.32Å; S176-V178 PolarHBondContact O-N 2.88Å; S176-I179 PolarHBondContact O-N 3.27Å; S176-F180 WeakPolarHBondContact O-CB 3.46Å; S176-F180 WeakPolarHBondContact O-CD2 3.29Å; S176-F180 PolarHBondContact O-N 3.04Å
177F95.5Very high93.2Very high60 Ų6060.6 Ų60.626%0.26330%0.304SS..Hα-helixtrans-59-45.5175.6-95.4-92.9000111.8Q46 I49 L53 W173 G174 F175 I179 N181Q46-F177 HydrophobicContact CG-CD1 4.45Å; I49-F177 HydrophobicContact CB-CD1 4.36Å; I49-F177 HydrophobicContact CB-CE1 4.48Å; I49-F177 HydrophobicContact CG2-CD1 3.87Å; I49-F177 HydrophobicContact CG2-CD2 4.46Å; I49-F177 HydrophobicContact CG2-CE1 3.79Å; I49-F177 HydrophobicContact CG2-CE2 4.4Å; I49-F177 HydrophobicContact CG2-CG 4.22Å; I49-F177 HydrophobicContact CG2-CZ 4.07Å; L53-F177 HydrophobicContact CD1-CD2 4.01Å; L53-F177 HydrophobicContact CD1-CE2 4.27Å; W173-F177 HydrophobicContact CE3-CE2 4.48Å; W173-F177 WeakPolarHBondContact O-CD2 3.34Å; W173-F177 PolarHBondContact O-N 3.18Å; G174-F177 PolarHBondContact O-N 3.17Å; F175-F177 VanDerWaalsContact C-N 3.33Å; F175-F177 PolarHBondContact O-N 2.98Å; F177-I179 PolarHBondContact O-N 3.29Å; F177-N181 WeakPolarHBondContact O-CB 3.27Å; F177-N181 PolarHBondContact O-N 3.48Å
178V96Very high93Very high39 Ų3960.4 Ų60.424%0.23630%0.297CS..Hα-helixtrans-61.5-46177.4175.30000111Y47 G174 F175 S176 T182Y47-V178 HydrophobicContact CD1-CG1 4.32Å; Y47-V178 HydrophobicContact CD1-CG2 4.46Å; Y47-V178 HydrophobicContact CE1-CG1 4.02Å; G174-V178 WeakPolarHBondContact O-CG2 3.3Å; G174-V178 PolarHBondContact O-N 3.32Å; F175-V178 PolarHBondContact O-N 2.93Å; S176-V178 PolarHBondContact O-N 2.88Å; V178-T182 WeakPolarHBondContact O-CB 3.34Å; V178-T182 PolarHBondContact O-N 3.46Å; V178-T182 PolarHBondContact O-OG1 2.95Å
179I96.3Very high92.6Very high99 Ų9963.7 Ų63.751%0.50831%0.306SS..Hα-helixtrans-65-53.8-179.5-67.3165.5000110.7F175 S176 F177 N181 T182 L183F175-I179 VanDerWaalsContact O-CG1 3.29Å; F175-I179 WeakPolarHBondContact O-CG1 3.31Å; F175-I179 PolarHBondContact O-N 3.47Å; S176-I179 PolarHBondContact O-N 3.27Å; F177-I179 PolarHBondContact O-N 3.29Å; I179-N181 VanDerWaalsContact C-N 3.28Å; I179-N181 PolarHBondContact O-N 3.23Å; I179-T182 WeakPolarHBondContact O-CB 3.41Å; I179-T182 PolarHBondContact O-N 2.69Å; I179-T182 VanDerWaalsContact O-N 3.12Å; I179-L183 HydrophobicContact CG2-CD1 4.2Å; I179-L183 WeakPolarHBondContact O-CG 3.25Å; I179-L183 PolarHBondContact O-N 3.5Å
180F94.6Very high92Very high134 Ų13463.9 Ų63.959%0.58831%0.307SS*.Hα-helixtrans-60.5-38.8-179.3-78.5-61.7000112.1S176 L183 L184S176-F180 WeakPolarHBondContact O-CB 3.46Å; S176-F180 WeakPolarHBondContact O-CD2 3.29Å; S176-F180 PolarHBondContact O-N 3.04Å; F180-L183 HydrophobicContact CD1-CD1 4.39Å; F180-L183 PolarHBondContact O-N 3.24Å; F180-L184 WeakPolarHBondContact O-CB 3.39Å; F180-L184 PolarHBondContact O-N 3.04Å
181N94.9Very high91Very high0 Ų073.3 Ų73.30%035%0.348CS..Hα-helixtrans-67.3-38.6176.8-166.629.8000112.1I43 Q46 Y47 F177 I179 L183 L184 L185I43-N181 WeakPolarHBondContact CA-OD1 3.4Å; I43-N181 PolarHBondContact O-ND2 3.05Å; Q46-N181 HydrophobicContact CB-CB 3.83Å; Q46-N181 WeakPolarHBondContact CB-ND2 3.33Å; Q46-N181 VanDerWaalsContact OE1-CB 3.26Å; Q46-N181 PolarHBondContact OE1-OD1 3.43Å; Y47-N181 HydrophobicContact CD1-CB 4.43Å; Y47-N181 WeakPolarHBondContact CD1-ND2 3.33Å; Y47-N181 WeakPolarHBondContact CD2-ND2 3.29Å; Y47-N181 HydrophobicContact CE1-CB 4.17Å; Y47-N181 WeakPolarHBondContact CE2-ND2 3.37Å; Y47-N181 PolarHBondContact N-ND2 3.35Å; F177-N181 WeakPolarHBondContact O-CB 3.27Å; F177-N181 PolarHBondContact O-N 3.48Å; I179-N181 VanDerWaalsContact C-N 3.28Å; I179-N181 PolarHBondContact O-N 3.23Å; N181-L183 VanDerWaalsContact C-N 3.32Å; N181-L183 PolarHBondContact O-N 2.56Å; N181-L184 PolarHBondContact O-N 3.18Å; N181-L185 WeakPolarHBondContact O-CB 3.47Å; N181-L185 PolarHBondContact O-N 3.4Å
182T93.9Very high89.9Confident48 Ų4872.7 Ų72.729%0.29437%0.365SS..Hα-helixtrans-60.7-43.7173.6-53.50000110.7Y47 V178 I179 L185 I186Y47-T182 WeakPolarHBondContact OH-CA 3.48Å; Y47-T182 PolarHBondContact OH-OG1 2.84Å; V178-T182 WeakPolarHBondContact O-CB 3.34Å; V178-T182 PolarHBondContact O-N 3.46Å; V178-T182 PolarHBondContact O-OG1 2.95Å; I179-T182 WeakPolarHBondContact O-CB 3.41Å; I179-T182 PolarHBondContact O-N 2.69Å; I179-T182 VanDerWaalsContact O-N 3.12Å; T182-L185 PolarHBondContact O-N 3.39Å; T182-I186 HydrophobicContact CG2-CD1 3.97Å; T182-I186 VanDerWaalsContact O-CG1 3.29Å; T182-I186 WeakPolarHBondContact O-CG1 3.47Å; T182-I186 PolarHBondContact O-N 3.04Å; T182-I186 VanDerWaalsContact O-N 3.11Å
183L93.3Very high89Confident75 Ų7569.5 Ų69.539%0.39335%0.346SS..Hα-helixtrans-62.6-43.2175.4-63.6172.6000111.5I179 F180 N181 I186 F187I179-L183 HydrophobicContact CG2-CD1 4.2Å; I179-L183 WeakPolarHBondContact O-CG 3.25Å; I179-L183 PolarHBondContact O-N 3.5Å; F180-L183 HydrophobicContact CD1-CD1 4.39Å; F180-L183 PolarHBondContact O-N 3.24Å; N181-L183 VanDerWaalsContact C-N 3.32Å; N181-L183 PolarHBondContact O-N 2.56Å; L183-I186 PolarHBondContact O-N 3.04Å; L183-F187 HydrophobicContact CB-CD2 4.21Å; L183-F187 HydrophobicContact CD2-CD2 4.19Å; L183-F187 HydrophobicContact CD2-CE2 3.7Å; L183-F187 WeakPolarHBondContact O-CB 3.14Å; L183-F187 VanDerWaalsContact O-CD2 3.23Å; L183-F187 WeakPolarHBondContact O-CD2 3.43Å; L183-F187 PolarHBondContact O-N 2.75Å
184L90.2Very high88.2Confident41 Ų4169.2 Ų69.222%0.21535%0.353CS..Hα-helixtrans-63.7-44.2177.9-170.1154.6000111.6L42 I43 W107 F180 N181 I186 K188L42-L184 HydrophobicContact CD2-CD1 3.58Å; L42-L184 HydrophobicContact CD2-CD2 3.62Å; L42-L184 HydrophobicContact CD2-CG 4.27Å; I43-L184 HydrophobicContact CG1-CD2 4.25Å; W107-L184 HydrophobicContact CH2-CD2 4.34Å; F180-L184 WeakPolarHBondContact O-CB 3.39Å; F180-L184 PolarHBondContact O-N 3.04Å; N181-L184 PolarHBondContact O-N 3.18Å; L184-I186 VanDerWaalsContact C-N 3.27Å; L184-I186 PolarHBondContact O-N 3.38Å; L184-K188 HydrophobicContact CD2-CB 4.3Å; L184-K188 HydrophobicContact CG-CB 4.13Å; L184-K188 VanDerWaalsContact O-CB 3.29Å; L184-K188 WeakPolarHBondContact O-CB 3.26Å; L184-K188 PolarHBondContact O-N 2.81Å
185L88.8Confident87.5Confident41 Ų4170.3 Ų70.322%0.21536%0.359CS..Hα-helixtrans-54.9-44.4175.4170.269.1000111.2K39 I43 N181 T182 L195K39-L185 WeakPolarHBondContact CE-O 3.43Å; K39-L185 PolarHBondContact NZ-O 3.39Å; I43-L185 HydrophobicContact CD1-CB 3.93Å; I43-L185 HydrophobicContact CD1-CD1 3.52Å; I43-L185 HydrophobicContact CD1-CG 4.3Å; N181-L185 WeakPolarHBondContact O-CB 3.47Å; N181-L185 PolarHBondContact O-N 3.4Å; T182-L185 PolarHBondContact O-N 3.39Å; L185-L195 HydrophobicContact CD1-CD2 3.7Å
186I86.7Confident86.6Confident64 Ų6465.2 Ų65.233%0.32834%0.337SS..Hα-helixtrans-76.7-50.1-176.7-65.1167.7000112.1T182 L183 L184T182-I186 HydrophobicContact CG2-CD1 3.97Å; T182-I186 VanDerWaalsContact O-CG1 3.29Å; T182-I186 WeakPolarHBondContact O-CG1 3.47Å; T182-I186 PolarHBondContact O-N 3.04Å; T182-I186 VanDerWaalsContact O-N 3.11Å; L183-I186 PolarHBondContact O-N 3.04Å; L184-I186 VanDerWaalsContact C-N 3.27Å; L184-I186 PolarHBondContact O-N 3.38Å
187F87.5Confident85.6Confident150 Ų15066 Ų6666%0.65835%0.35SS*.Hα-helixtrans-93.6-24.6-166.2-68.1-67000114.5L183L183-F187 HydrophobicContact CB-CD2 4.21Å; L183-F187 HydrophobicContact CD2-CD2 4.19Å; L183-F187 HydrophobicContact CD2-CE2 3.7Å; L183-F187 WeakPolarHBondContact O-CB 3.14Å; L183-F187 VanDerWaalsContact O-CD2 3.23Å; L183-F187 WeakPolarHBondContact O-CD2 3.43Å; L183-F187 PolarHBondContact O-N 2.75Å
188K85.3Confident84.9Confident82 Ų8267.1 Ų67.136%0.35736%0.361SS..  trans-96.4106.8-174.4-176.756.6179.7173.90111.2K39 W107 L111 L184K39-K188 VanDerWaalsContact CE-O 3.27Å; K39-K188 WeakPolarHBondContact CE-O 3.28Å; K39-K188 PolarHBondContact NZ-O 3.03Å; W107-K188 HydrophobicContact CH2-CG 3.57Å; W107-K188 HydrophobicContact CZ2-CG 3.93Å; L111-K188 VanDerWaalsContact CD1-CE 3.47Å; L184-K188 HydrophobicContact CD2-CB 4.3Å; L184-K188 HydrophobicContact CG-CB 4.13Å; L184-K188 VanDerWaalsContact O-CB 3.29Å; L184-K188 WeakPolarHBondContact O-CB 3.26Å; L184-K188 PolarHBondContact O-N 2.81Å
189H81.5Confident84.1Confident92 Ų9266.8 Ų66.843%0.42636%0.358SS..  trans-87.8138.6179.3-56.6-49.6000113.5D196H189-D196 WeakPolarHBondContact CA-OD2 3.23Å; H189-D196 HydrophobicContact CB-CB 3.93Å; H189-D196 IonicContact CE1-OD1 3.5Å; H189-D196 IonicContact CG-OD1 3.3Å; H189-D196 VanDerWaalsContact ND1-CB 3.28Å; H189-D196 WeakPolarHBondContact ND1-CB 3.45Å; H189-D196 IonicContact ND1-OD1 2.71Å; H189-D196 PolarHBondContact ND1-OD1 2.76Å; H189-D196 IonicContact ND1-OD2 3.01Å
190E81Confident83.2Confident27 Ų2764.5 Ų64.513%0.12635%0.351CS..  trans-106.3132.7171.8-169.9176.4171.600109.5G36 R37 R38 K39 G192 S193 D196G36-E190 WeakPolarHBondContact CA-OE2 3.47Å; R37-E190 PolarHBondContact N-OE1 3.19Å; R37-E190 PolarHBondContact N-OE2 3.22Å; R38-E190 PolarHBondContact N-OE1 2.95Å; R38-E190 PolarHBondContact N-OE2 3.24Å; K39-E190 HydrophobicContact CB-CB 4.49Å; K39-E190 WeakPolarHBondContact CB-OE2 3.27Å; K39-E190 HydrophobicContact CD-CB 4.5Å; K39-E190 PolarHBondContact N-OE2 3.41Å; E190-G192 PolarHBondContact O-N 2.9Å; E190-S193 VanDerWaalsContact O-CB 3.25Å; E190-S193 WeakPolarHBondContact O-CB 3.3Å; E190-S193 PolarHBondContact O-N 2.89Å; E190-S193 VanDerWaalsContact O-N 3.16Å; E190-D196 PolarHBondContact N-OD2 3Å
191K74.9Confident82.4Confident206 Ų20664.4 Ų64.490%0.89635%0.352SS*.THydrogen-bonded Turntrans-61.1130178.6-71.3-173.2174.9-169.70110.2
192G70.3Confident81.8Confident63 Ų6371 Ų7165%0.64938%0.381SS*.THydrogen-bonded Turntrans90.4-3.9-178.100000115.3E190E190-G192 PolarHBondContact O-N 2.9Å
193S76.4Confident81.1Confident13 Ų1371.6 Ų71.69%0.09138%0.384CS..  trans-74.8125.8174.4172.80000111.8F34 I35 E190 L195 D196F34-S193 PolarHBondContact O-OG 2.9Å; I35-S193 WeakPolarHBondContact O-CB 3.28Å; I35-S193 PolarHBondContact O-OG 3.13Å; E190-S193 VanDerWaalsContact O-CB 3.25Å; E190-S193 WeakPolarHBondContact O-CB 3.3Å; E190-S193 PolarHBondContact O-N 2.89Å; E190-S193 VanDerWaalsContact O-N 3.16Å; S193-L195 PolarHBondContact OG-N 3.38Å; S193-D196 WeakPolarHBondContact CB-OD2 3.24Å; S193-D196 PolarHBondContact OG-N 3.46Å; S193-D196 PolarHBondContact OG-OD2 3.49Å; S193-D196 VanDerWaalsContact OG-OD2 3.13Å
194T77.2Confident80.4Confident75 Ų7574.3 Ų74.346%0.4639%0.393SS..Hα-helixtrans-78.2-26.9174.430.50000112.3F34 D196 G197 T198F34-T194 WeakPolarHBondContact CA-OG1 3.29Å; F34-T194 WeakPolarHBondContact CD2-OG1 3.37Å; F34-T194 PolarHBondContact O-N 3.18Å; T194-D196 VanDerWaalsContact C-N 3.32Å; T194-D196 PolarHBondContact O-N 3.33Å; T194-G197 PolarHBondContact O-N 3.44Å; T194-T198 PolarHBondContact O-N 2.86Å; T194-T198 VanDerWaalsContact O-N 3.12Å; T194-T198 PolarHBondContact O-OG1 3.33Å
195L81.1Confident79.9Confident23 Ų2376 Ų7612%0.1241%0.408CS..Hα-helixtrans-59.6-44.9172172.864.1000110.9F34 I35 L185 S193 G197 T198 I199F34-L195 HydrophobicContact CD1-CB 3.86Å; F34-L195 HydrophobicContact CD1-CD1 4.4Å; F34-L195 HydrophobicContact CD2-CB 4.16Å; F34-L195 HydrophobicContact CE1-CB 3.63Å; F34-L195 HydrophobicContact CE1-CD1 3.42Å; F34-L195 VanDerWaalsContact CE1-CD1 3.42Å; F34-L195 HydrophobicContact CE1-CD2 4.35Å; F34-L195 HydrophobicContact CE1-CG 3.96Å; F34-L195 HydrophobicContact CE2-CB 3.9Å; F34-L195 HydrophobicContact CE2-CD1 4.45Å; F34-L195 HydrophobicContact CG-CB 4.14Å; F34-L195 HydrophobicContact CZ-CB 3.63Å; F34-L195 HydrophobicContact CZ-CD1 3.44Å; F34-L195 VanDerWaalsContact CZ-CD1 3.44Å; F34-L195 HydrophobicContact CZ-CG 4.1Å; F34-L195 WeakPolarHBondContact O-CB 3.28Å; F34-L195 PolarHBondContact O-N 3.28Å; I35-L195 HydrophobicContact CG1-CD2 4.1Å; L185-L195 HydrophobicContact CD1-CD2 3.7Å; S193-L195 PolarHBondContact OG-N 3.38Å; L195-G197 VanDerWaalsContact C-N 3.31Å; L195-G197 PolarHBondContact O-N 3.43Å; L195-T198 WeakPolarHBondContact O-CA 3.41Å; L195-T198 WeakPolarHBondContact O-CB 3.45Å; L195-T198 PolarHBondContact O-N 3.01Å; L195-I199 HydrophobicContact CD1-CD1 3.78Å; L195-I199 HydrophobicContact CD1-CG1 3.94Å; L195-I199 HydrophobicContact CD2-CD1 4.31Å; L195-I199 HydrophobicContact CG-CD1 3.8Å; L195-I199 HydrophobicContact CG-CG1 4.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.4Å; L195-I199 PolarHBondContact O-N 3.14Å
196D77.2Confident79.3Confident9 Ų978 Ų785%0.04843%0.425CS..Hα-helixtrans-64.6-37.3-177.2-70.9-35.8000111.9K39 H189 E190 S193 T194 T198 S200K39-D196 IonicContact NZ-OD1 3.94Å; K39-D196 PolarHBondContact NZ-OD1 2.98Å; K39-D196 IonicContact NZ-OD2 3.8Å; H189-D196 WeakPolarHBondContact CA-OD2 3.23Å; H189-D196 HydrophobicContact CB-CB 3.93Å; H189-D196 IonicContact CE1-OD1 3.5Å; H189-D196 IonicContact CG-OD1 3.3Å; H189-D196 VanDerWaalsContact ND1-CB 3.28Å; H189-D196 WeakPolarHBondContact ND1-CB 3.45Å; H189-D196 IonicContact ND1-OD1 2.71Å; H189-D196 PolarHBondContact ND1-OD1 2.76Å; H189-D196 IonicContact ND1-OD2 3.01Å; E190-D196 PolarHBondContact N-OD2 3Å; S193-D196 WeakPolarHBondContact CB-OD2 3.24Å; S193-D196 PolarHBondContact OG-N 3.46Å; S193-D196 PolarHBondContact OG-OD2 3.49Å; S193-D196 VanDerWaalsContact OG-OD2 3.13Å; T194-D196 VanDerWaalsContact C-N 3.32Å; T194-D196 PolarHBondContact O-N 3.33Å; D196-T198 VanDerWaalsContact C-N 3.34Å; D196-S200 VanDerWaalsContact O-CB 3.26Å; D196-S200 WeakPolarHBondContact O-CB 3.28Å; D196-S200 PolarHBondContact O-N 3.02Å
197G75.4Confident78.6Confident46 Ų4681.2 Ų81.247%0.47444%0.442SS..Hα-helixtrans-62.3-40.8170.800000112.6T194 L195 H201T194-G197 PolarHBondContact O-N 3.44Å; L195-G197 VanDerWaalsContact C-N 3.31Å; L195-G197 PolarHBondContact O-N 3.43Å; G197-H201 WeakPolarHBondContact O-CB 3.36Å; G197-H201 PolarHBondContact O-N 2.63Å
198T80.8Confident77.2Confident83 Ų8381 Ų8151%0.50944%0.441SS..Hα-helixtrans-66.7-46178.7-520000111.6T194 L195 D196 H201 F202T194-T198 PolarHBondContact O-N 2.86Å; T194-T198 VanDerWaalsContact O-N 3.12Å; T194-T198 PolarHBondContact O-OG1 3.33Å; L195-T198 WeakPolarHBondContact O-CA 3.41Å; L195-T198 WeakPolarHBondContact O-CB 3.45Å; L195-T198 PolarHBondContact O-N 3.01Å; D196-T198 VanDerWaalsContact C-N 3.34Å; T198-H201 PolarHBondContact O-N 2.85Å; T198-F202 WeakPolarHBondContact O-CB 3.47Å; T198-F202 PolarHBondContact O-N 3Å
199I78.6Confident75.5Confident32 Ų3282.2 Ų82.216%0.16446%0.46CS..Hα-helixtrans-63.2-47177-67.1173.9000110.3L195 H201 F202 V203L195-I199 HydrophobicContact CD1-CD1 3.78Å; L195-I199 HydrophobicContact CD1-CG1 3.94Å; L195-I199 HydrophobicContact CD2-CD1 4.31Å; L195-I199 HydrophobicContact CG-CD1 3.8Å; L195-I199 HydrophobicContact CG-CG1 4.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.4Å; L195-I199 PolarHBondContact O-N 3.14Å; I199-H201 VanDerWaalsContact C-N 3.3Å; I199-H201 PolarHBondContact O-N 3.15Å; I199-F202 PolarHBondContact O-N 2.64Å; I199-F202 VanDerWaalsContact O-N 3.17Å; I199-V203 HydrophobicContact CG2-CG2 4.1Å; I199-V203 WeakPolarHBondContact O-CB 3.43Å; I199-V203 WeakPolarHBondContact O-CG2 3.46Å; I199-V203 PolarHBondContact O-N 3.1Å
200S77.2Confident73.5Confident51 Ų5187.2 Ų87.236%0.35748%0.48SS..Hα-helixtrans-59.1-42.4178.9-178.40000111.8D196 K204D196-S200 VanDerWaalsContact O-CB 3.26Å; D196-S200 WeakPolarHBondContact O-CB 3.28Å; D196-S200 PolarHBondContact O-N 3.02Å; S200-K204 WeakPolarHBondContact O-CB 3.36Å; S200-K204 PolarHBondContact O-N 3.05Å
201H78.4Confident71.4Confident132 Ų13289.6 Ų89.661%0.61150%0.5SS*.Hα-helixtrans-63.8-45.1174.6-173.3-84.5000112.1G197 T198 I199 K204 S205G197-H201 WeakPolarHBondContact O-CB 3.36Å; G197-H201 PolarHBondContact O-N 2.63Å; T198-H201 PolarHBondContact O-N 2.85Å; I199-H201 VanDerWaalsContact C-N 3.3Å; I199-H201 PolarHBondContact O-N 3.15Å; H201-K204 PolarHBondContact O-N 3.39Å; H201-S205 WeakPolarHBondContact O-CB 3.33Å; H201-S205 PolarHBondContact O-N 2.9Å
202F82.6Confident69.6Low137 Ų13790.1 Ų90.160%0.60150%0.502SS*.Hα-helixtrans-61.1-47.4177-178.6-97.1000111.9T198 I199 K204 S205 C206T198-F202 WeakPolarHBondContact O-CB 3.47Å; T198-F202 PolarHBondContact O-N 3Å; I199-F202 PolarHBondContact O-N 2.64Å; I199-F202 VanDerWaalsContact O-N 3.17Å; F202-K204 PolarHBondContact O-N 3.13Å; F202-S205 WeakPolarHBondContact O-CB 3.42Å; F202-S205 PolarHBondContact O-N 2.72Å; F202-C206 PolarHBondContact O-N 3.44Å
203V78.7Confident67.9Low62 Ų6297.2 Ų97.238%0.37651%0.511SS..Hα-helixtrans-63.2-43.3178171.30000111.1I199 S205 C206 L207I199-V203 HydrophobicContact CG2-CG2 4.1Å; I199-V203 WeakPolarHBondContact O-CB 3.43Å; I199-V203 WeakPolarHBondContact O-CG2 3.46Å; I199-V203 PolarHBondContact O-N 3.1Å; V203-S205 VanDerWaalsContact C-N 3.34Å; V203-S205 PolarHBondContact O-N 2.92Å; V203-C206 PolarHBondContact O-N 3.45Å; V203-L207 HydrophobicContact CG1-CD1 3.59Å; V203-L207 HydrophobicContact CG1-CG 4.42Å; V203-L207 WeakPolarHBondContact O-CB 3.39Å; V203-L207 PolarHBondContact O-N 3.03Å
204K77.8Confident65.8Low132 Ų132100.2 Ų100.257%0.57453%0.532SS*.Hα-helixtrans-60.9-41.6172.7-93.7180175.2174.60112S200 H201 F202 C206 L207 F208S200-K204 WeakPolarHBondContact O-CB 3.36Å; S200-K204 PolarHBondContact O-N 3.05Å; H201-K204 PolarHBondContact O-N 3.39Å; F202-K204 PolarHBondContact O-N 3.13Å; K204-C206 VanDerWaalsContact C-N 3.33Å; K204-C206 PolarHBondContact O-N 3.24Å; K204-L207 PolarHBondContact O-N 3.09Å; K204-F208 WeakPolarHBondContact O-CB 3.29Å; K204-F208 PolarHBondContact O-N 3.43Å
205S80.4Confident63.8Low75 Ų75102.3 Ų102.352%0.52455%0.545SS..Hα-helixtrans-63.3-37.8177.4-178.10000112.3H201 F202 V203H201-S205 WeakPolarHBondContact O-CB 3.33Å; H201-S205 PolarHBondContact O-N 2.9Å; F202-S205 WeakPolarHBondContact O-CB 3.42Å; F202-S205 PolarHBondContact O-N 2.72Å; V203-S205 VanDerWaalsContact C-N 3.34Å; V203-S205 PolarHBondContact O-N 2.92Å
206C75.6Confident61.7Low85 Ų85108.2 Ų108.257%0.57457%0.571SS**Hα-helixtrans-76.4-38.6177.3-77.20000112.8F202 V203 K204F202-C206 PolarHBondContact O-N 3.44Å; V203-C206 PolarHBondContact O-N 3.45Å; K204-C206 VanDerWaalsContact C-N 3.33Å; K204-C206 PolarHBondContact O-N 3.24Å
207L71.8Confident59.7Low130 Ų130111.9 Ų111.968%0.68160%0.597SS**Hα-helixtrans-80.2-32.2-177.9-75.5168.3000113.3V203 K204V203-L207 HydrophobicContact CG1-CD1 3.59Å; V203-L207 HydrophobicContact CG1-CG 4.42Å; V203-L207 WeakPolarHBondContact O-CB 3.39Å; V203-L207 PolarHBondContact O-N 3.03Å; K204-L207 PolarHBondContact O-N 3.09Å
208F59.8Low58Low146 Ų146114.1 Ų114.164%0.6460%0.598SS**  trans-112.572.1179.8-72.9-84.6000111K204 K210K204-F208 WeakPolarHBondContact O-CB 3.29Å; K204-F208 PolarHBondContact O-N 3.43Å; F208-K210 PolarHBondContact O-N 3.02Å
209S47.8Very low55.8Low108 Ų108115.1 Ų115.176%0.75560%0.6SS**SBendtrans-71.8-8171.8-176.50000113.5
210K40.8Very low54Low197 Ų197119.5 Ų119.586%0.85762%0.623SS**SBendtrans-144.882.3178-80.5179.9176.6172.80112F208F208-K210 PolarHBondContact O-N 3.02Å
211S36Very low52.1Low76 Ų76123.7 Ų123.753%0.53164%0.637SS.*  trans-158.6120.2145.1-157.90000111.5Y213S211-Y213 PolarHBondContact O-N 3.06Å; S211-Y213 WeakPolarHBondContact OG-CD2 3.47Å
212K38.4Very low50.1Low217 Ų217123 Ų12394%0.94363%0.634SS**  trans-74.173.8174.1-163.4179.4-170.3-179.70107.6
213Y34.5Very low47.7Very low212 Ų212120.5 Ų120.583%0.83163%0.63SS**  trans-97.2128.5175.5-108.7-89.6000111.7S211S211-Y213 PolarHBondContact O-N 3.06Å; S211-Y213 WeakPolarHBondContact OG-CD2 3.47Å
214S32.5Very low45.7Very low77 Ų77120.6 Ų120.654%0.53864%0.637SS.*  trans-40.3131-177.9-176.20000114.4H216S214-H216 PolarHBondContact O-N 3.16Å
215T33.7Very low43.7Very low119 Ų119118.6 Ų118.673%0.7363%0.633SS**THydrogen-bonded Turntrans-59.910.917520000115
216H36.9Very low41.4Very low147 Ų147122 Ų12268%0.68164%0.639SS**THydrogen-bonded Turntrans-92.6-14.5-172.3-145.5-66.6000114.5S214S214-H216 PolarHBondContact O-N 3.16Å
217S36.5Very low39.2Very low85 Ų85124 Ų12459%0.59464%0.644SS**SBendtrans-91-17.6178.7540000114.5
218L39.8Very low37.4Very low94 Ų94124.8 Ų124.849%0.49264%0.643SS.*Hα-helixtrans-73.1-26.8-179.2-91.2153000113.7Q222L218-Q222 WeakPolarHBondContact O-CG 3.37Å; L218-Q222 PolarHBondContact O-N 3.27Å
219N33.6Very low36.1Very low103 Ų103123.1 Ų123.155%0.55164%0.638SS**Hα-helixtrans-78.9-22.7-179.9-72.1-17.5000113T223N219-T223 WeakPolarHBondContact O-CB 3.45Å; N219-T223 PolarHBondContact O-N 3.12Å; N219-T223 PolarHBondContact O-OG1 3.21Å
220I41.2Very low35.2Very low125 Ų125123.9 Ų123.964%0.64164%0.638SS**Hα-helixtrans-79.5-37.9-178-61177000110.9A224I220-A224 WeakPolarHBondContact O-CB 3.32Å; I220-A224 PolarHBondContact O-N 3.21Å
221E36.7Very low34.9Very low138 Ų138121.8 Ų121.865%0.64564%0.636SS**Hα-helixtrans-74.1-31175.8-107.3178.516400113.4N225E221-N225 WeakPolarHBondContact O-CB 3.3Å; E221-N225 PolarHBondContact O-N 2.69Å; E221-N225 PolarHBondContact O-ND2 3.24Å
222Q36.1Very low35Very low117 Ų117121.3 Ų121.355%0.54764%0.643SS.*Hα-helixtrans-76.9-30.2176.4-75.6-176.2-15.500113.1L218 K226L218-Q222 WeakPolarHBondContact O-CG 3.37Å; L218-Q222 PolarHBondContact O-N 3.27Å; Q222-K226 PolarHBondContact O-N 2.98Å
223T33.8Very low35.1Very low86 Ų86114.4 Ų114.453%0.52862%0.622SS.*Hα-helixtrans-82.2-29.8179.2-43.60000111.7N219N219-T223 WeakPolarHBondContact O-CB 3.45Å; N219-T223 PolarHBondContact O-N 3.12Å; N219-T223 PolarHBondContact O-OG1 3.21Å
224A36.6Very low35.7Very low64 Ų64113.1 Ų113.153%0.52962%0.621SS.*Hα-helixtrans-68.4-39.9169.800000112.4I220I220-A224 WeakPolarHBondContact O-CB 3.32Å; I220-A224 PolarHBondContact O-N 3.21Å
225N34.7Very low36.7Very low90 Ų90117.6 Ų117.648%0.48163%0.631SS.*Hα-helixtrans-70.6-31.6177.5-85.4-47000113.5E221 N227 E228 Q229E221-N225 WeakPolarHBondContact O-CB 3.3Å; E221-N225 PolarHBondContact O-N 2.69Å; E221-N225 PolarHBondContact O-ND2 3.24Å; N225-N227 VanDerWaalsContact C-N 3.31Å; N225-N227 PolarHBondContact O-N 3.45Å; N225-E228 PolarHBondContact O-N 3.04Å; N225-Q229 WeakPolarHBondContact O-CB 3.44Å; N225-Q229 PolarHBondContact O-N 3.44Å
226K31.9Very low38.1Very low147 Ų147113 Ų11364%0.63960%0.602SS**Hα-helixtrans-65.6-30.1178.6-90.8179.4174.9176.50113.7Q222Q222-K226 PolarHBondContact O-N 2.98Å
227N29.8Very low40.1Very low127 Ų127109.2 Ų109.268%0.67959%0.593SS**Hα-helixtrans-84.5-21.2-180-69-9.6000113.1N225 T230N225-N227 VanDerWaalsContact C-N 3.31Å; N225-N227 PolarHBondContact O-N 3.45Å; N227-T230 PolarHBondContact O-OG1 2.88Å
228E34.3Very low42.4Very low145 Ų145108.4 Ų108.468%0.67858%0.581SS**Hα-helixtrans-86.2-22.6168.6-92-174.4153.100112.9N225 T230 D231N225-E228 PolarHBondContact O-N 3.04Å; E228-T230 PolarHBondContact O-N 2.92Å; E228-D231 PolarHBondContact O-N 2.95Å
229Q32.2Very low44.4Very low112 Ų112111.3 Ų111.352%0.52359%0.59SS.*Hα-helixtrans-69-19.3-179-124.8159.9-0.100114N225N225-Q229 WeakPolarHBondContact O-CB 3.44Å; N225-Q229 PolarHBondContact O-N 3.44Å
230T30Very low46.7Very low123 Ų123110.6 Ų110.676%0.75558%0.58SS**Hα-helixtrans-76.9-14.5179.322.50000114.7N227 E228N227-T230 PolarHBondContact O-OG1 2.88Å; E228-T230 PolarHBondContact O-N 2.92Å
231D34.8Very low48.7Very low154 Ų154104.6 Ų104.682%0.82455%0.55SS*.Hα-helixtrans-112.8-15.7-174.7-148.714.2000114.4E228E228-D231 PolarHBondContact O-N 2.95Å
232G37.7Very low51.1Low66 Ų66101.7 Ų101.768%0.6853%0.533SS*.Hα-helixtrans-96.5-13-175.700000116.7
233S39.2Very low53.4Low72 Ų7299.4 Ų99.450%0.50352%0.521SS..  trans-111.233.8-167.7-178.70000114.2K235S233-K235 PolarHBondContact O-N 3.39Å
234K48.5Very low55.8Low184 Ų18495.6 Ų95.680%0.850%0.498SS*.  trans-68.4105.4158.8-83.3-177.6-180173.30107.1V236K234-V236 VanDerWaalsContact C-N 3.34Å; K234-V236 WeakPolarHBondContact O-CG2 3.18Å; K234-V236 PolarHBondContact O-N 2.89Å
235K52.5Low58.1Low172 Ų17293.1 Ų93.175%0.74848%0.476SS*.  trans-50.7102.3167.4-87-176.5175.1179.50107.2S233 S237S233-K235 PolarHBondContact O-N 3.39Å; K235-S237 PolarHBondContact O-N 3.25Å
236V64.4Low60.6Low21 Ų2193.6 Ų93.613%0.12748%0.477CS..  trans-68.3110.6-179.7-171.30000106.1S29 K234 Y240 T241 V421S29-V236 VanDerWaalsContact CB-O 3.29Å; S29-V236 WeakPolarHBondContact CB-O 3.45Å; K234-V236 VanDerWaalsContact C-N 3.34Å; K234-V236 WeakPolarHBondContact O-CG2 3.18Å; K234-V236 PolarHBondContact O-N 2.89Å; V236-Y240 HydrophobicContact CG1-CD1 3.66Å; V236-Y240 HydrophobicContact CG1-CE1 4.24Å; V236-T241 VanDerWaalsContact CG1-OG1 3.27Å; V236-T241 WeakPolarHBondContact CG1-OG1 3.38Å; V236-V421 HydrophobicContact CG2-CG1 4.48Å
237S77.5Confident63.2Low69 Ų6986.9 Ų86.948%0.48345%0.45SS..  trans-58.6140.7178.5167.70000110.1K235 F239 Y240 T241K235-S237 PolarHBondContact O-N 3.25Å; S237-F239 VanDerWaalsContact C-N 3.3Å; S237-F239 PolarHBondContact O-N 3.41Å; S237-Y240 VanDerWaalsContact O-CB 3.31Å; S237-Y240 WeakPolarHBondContact O-CB 3.39Å; S237-Y240 PolarHBondContact O-N 3.48Å; S237-Y240 VanDerWaalsContact O-N 3.12Å; S237-T241 PolarHBondContact O-N 3.01Å; S237-T241 PolarHBondContact O-OG1 2.98Å
238L84.9Confident65.9Low67 Ų6780.9 Ų80.935%0.35142%0.418SS..Hα-helixtrans-56-47.8177.8178.266.6000110.8P25 I26 S29 Y240 T241 Y242P25-L238 HydrophobicContact CB-CD1 4.33Å; I26-L238 HydrophobicContact CB-CD1 4.33Å; I26-L238 HydrophobicContact CG1-CD1 3.77Å; S29-L238 WeakPolarHBondContact OG-CD1 3.21Å; L238-Y240 VanDerWaalsContact C-N 3.27Å; L238-Y240 PolarHBondContact O-N 3.35Å; L238-T241 WeakPolarHBondContact O-CB 3.43Å; L238-T241 PolarHBondContact O-N 3.18Å; L238-T241 VanDerWaalsContact O-N 3.08Å; L238-Y242 HydrophobicContact CD1-CD2 4.01Å; L238-Y242 HydrophobicContact CD1-CE2 3.58Å; L238-Y242 HydrophobicContact CD2-CE2 4.32Å; L238-Y242 HydrophobicContact CG-CD2 3.97Å; L238-Y242 HydrophobicContact CG-CE2 3.8Å; L238-Y242 WeakPolarHBondContact O-CD2 3.32Å; L238-Y242 PolarHBondContact O-N 3.42Å
239F83.1Confident68.4Low156 Ų15678.4 Ų78.468%0.68441%0.407SS*.Hα-helixtrans-60.4-39.7178-176.4-98.9000111.7S237 T241 Y242 K243S237-F239 VanDerWaalsContact C-N 3.3Å; S237-F239 PolarHBondContact O-N 3.41Å; F239-T241 VanDerWaalsContact C-N 3.32Å; F239-T241 PolarHBondContact O-N 3.44Å; F239-Y242 PolarHBondContact O-N 3.33Å; F239-K243 WeakPolarHBondContact O-CB 3.4Å; F239-K243 PolarHBondContact O-N 2.92Å
240Y80.6Confident71Confident87 Ų8779.7 Ų79.734%0.34142%0.417SS..Hα-helixtrans-62.1-40.3175.2-178-90.9000111.8V236 S237 L238 K243 N244 P547V236-Y240 HydrophobicContact CG1-CD1 3.66Å; V236-Y240 HydrophobicContact CG1-CE1 4.24Å; S237-Y240 VanDerWaalsContact O-CB 3.31Å; S237-Y240 WeakPolarHBondContact O-CB 3.39Å; S237-Y240 PolarHBondContact O-N 3.48Å; S237-Y240 VanDerWaalsContact O-N 3.12Å; L238-Y240 VanDerWaalsContact C-N 3.27Å; L238-Y240 PolarHBondContact O-N 3.35Å; Y240-K243 PolarHBondContact O-N 3.44Å; Y240-N244 WeakPolarHBondContact CD1-ND2 3.43Å; Y240-N244 WeakPolarHBondContact CE1-ND2 3.39Å; Y240-N244 WeakPolarHBondContact O-CB 3.32Å; Y240-N244 PolarHBondContact O-N 2.84Å; Y240-N244 PolarHBondContact O-OD1 3.16Å; Y240-P547 HydrophobicContact CD2-CG 4.06Å; Y240-P547 HydrophobicContact CE1-CG 4.42Å; Y240-P547 HydrophobicContact CE2-CB 4.24Å; Y240-P547 HydrophobicContact CE2-CG 3.15Å; Y240-P547 WeakPolarHBondContact OH-CD 3.42Å; Y240-P547 WeakPolarHBondContact OH-CG 3.45Å
241T82.8Confident74Confident0 Ų075.8 Ų75.80%039%0.391CS..Hα-helixtrans-66.1-41.6177.6-47.20000111.7P25 D28 V236 S237 L238 F239 N244 I245 I422P25-T241 HydrophobicContact CB-CG2 3.75Å; D28-T241 HydrophobicContact CB-CG2 4.27Å; V236-T241 VanDerWaalsContact CG1-OG1 3.27Å; V236-T241 WeakPolarHBondContact CG1-OG1 3.38Å; S237-T241 PolarHBondContact O-N 3.01Å; S237-T241 PolarHBondContact O-OG1 2.98Å; L238-T241 WeakPolarHBondContact O-CB 3.43Å; L238-T241 PolarHBondContact O-N 3.18Å; L238-T241 VanDerWaalsContact O-N 3.08Å; F239-T241 VanDerWaalsContact C-N 3.32Å; F239-T241 PolarHBondContact O-N 3.44Å; T241-N244 PolarHBondContact O-N 3.11Å; T241-I245 PolarHBondContact O-N 3.03Å; T241-I422 HydrophobicContact CG2-CG2 4.2Å
242Y87.8Confident76.8Confident76 Ų7675.5 Ų75.530%0.29838%0.383SS..Hα-helixtrans-65.5-42.7173-81.2-74.5000112.9L22 P25 L238 F239 N244 I245 I246L22-Y242 PolarHBondContact O-OH 2.85Å; P25-Y242 HydrophobicContact CB-CD1 4.13Å; P25-Y242 HydrophobicContact CB-CD2 3.95Å; P25-Y242 HydrophobicContact CB-CE1 3.97Å; P25-Y242 HydrophobicContact CB-CE2 3.81Å; P25-Y242 HydrophobicContact CB-CG 4.1Å; P25-Y242 HydrophobicContact CG-CD1 3.75Å; P25-Y242 HydrophobicContact CG-CD2 4.47Å; P25-Y242 HydrophobicContact CG-CE1 3.57Å; P25-Y242 HydrophobicContact CG-CE2 4.34Å; P25-Y242 HydrophobicContact CG-CG 4.19Å; L238-Y242 HydrophobicContact CD1-CD2 4.01Å; L238-Y242 HydrophobicContact CD1-CE2 3.58Å; L238-Y242 HydrophobicContact CD2-CE2 4.32Å; L238-Y242 HydrophobicContact CG-CD2 3.97Å; L238-Y242 HydrophobicContact CG-CE2 3.8Å; L238-Y242 WeakPolarHBondContact O-CD2 3.32Å; L238-Y242 PolarHBondContact O-N 3.42Å; F239-Y242 PolarHBondContact O-N 3.33Å; Y242-N244 VanDerWaalsContact C-N 3.26Å; Y242-N244 PolarHBondContact O-N 3.48Å; Y242-I245 WeakPolarHBondContact O-CG2 3.46Å; Y242-I245 PolarHBondContact O-N 2.82Å; Y242-I246 WeakPolarHBondContact O-CG1 3.41Å; Y242-I246 PolarHBondContact O-N 3.49Å
243K85.4Confident79.5Confident69 Ų6973 Ų7330%0.335%0.354SS..Hα-helixtrans-58.9-42.2174.4-174.8179.9176.4-176.10110.4F239 Y240 I246 G247 E551F239-K243 WeakPolarHBondContact O-CB 3.4Å; F239-K243 PolarHBondContact O-N 2.92Å; Y240-K243 PolarHBondContact O-N 3.44Å; K243-I246 PolarHBondContact O-N 3.04Å; K243-G247 PolarHBondContact O-N 3.25Å; K243-E551 IonicContact NZ-OE1 3.69Å; K243-E551 PolarHBondContact NZ-OE1 3.35Å
244N82.7Confident82Confident7 Ų769.6 Ų69.64%0.03733%0.33CS..Hα-helixtrans-65.9-44.6180-74.10.1000113.4Y240 T241 Y242 I246 G247 V248 I422 Y545 P547Y240-N244 WeakPolarHBondContact CD1-ND2 3.43Å; Y240-N244 WeakPolarHBondContact CE1-ND2 3.39Å; Y240-N244 WeakPolarHBondContact O-CB 3.32Å; Y240-N244 PolarHBondContact O-N 2.84Å; Y240-N244 PolarHBondContact O-OD1 3.16Å; T241-N244 PolarHBondContact O-N 3.11Å; Y242-N244 VanDerWaalsContact C-N 3.26Å; Y242-N244 PolarHBondContact O-N 3.48Å; N244-I246 VanDerWaalsContact C-N 3.33Å; N244-I246 PolarHBondContact O-N 3.05Å; N244-G247 PolarHBondContact O-N 3.1Å; N244-V248 VanDerWaalsContact O-CG2 3.32Å; N244-V248 WeakPolarHBondContact O-CG2 3.43Å; N244-V248 PolarHBondContact O-N 2.71Å; N244-I422 HydrophobicContact CB-CD1 4.04Å; N244-Y545 HydrophobicContact CB-CD1 4.21Å; N244-P547 WeakPolarHBondContact OD1-CD 3.16Å; N244-P547 VanDerWaalsContact OD1-CG 3.23Å; N244-P547 WeakPolarHBondContact OD1-CG 3.35Å
245I86.2Confident84.2Confident11 Ų1163 Ų636%0.05631%0.31CS..Hα-helixtrans-64.5-39.6179.6-168.8176.8000111.7L21 T241 Y242 G247 V248 M249 T425 L429L21-I245 HydrophobicContact CD1-CD1 3.26Å; L21-I245 HydrophobicContact CG-CD1 4.06Å; T241-I245 PolarHBondContact O-N 3.03Å; Y242-I245 WeakPolarHBondContact O-CG2 3.46Å; Y242-I245 PolarHBondContact O-N 2.82Å; I245-G247 VanDerWaalsContact C-N 3.33Å; I245-V248 PolarHBondContact O-N 3.46Å; I245-M249 WeakPolarHBondContact O-CG 3.23Å; I245-M249 PolarHBondContact O-N 2.91Å; I245-T425 HydrophobicContact CB-CG2 3.91Å; I245-T425 HydrophobicContact CD1-CG2 3.27Å; I245-T425 HydrophobicContact CG1-CG2 3.91Å; I245-L429 HydrophobicContact CD1-CB 4.12Å; I245-L429 HydrophobicContact CD1-CD1 4.42Å; I245-L429 HydrophobicContact CG1-CD2 4.05Å
246I86.2Confident86.2Confident101 Ų10156.5 Ų56.552%0.51828%0.284SS..Hα-helixtrans-62.4-44.9174.4-65.4168.9000109.6Y242 K243 N244 V248 M249 L250Y242-I246 WeakPolarHBondContact O-CG1 3.41Å; Y242-I246 PolarHBondContact O-N 3.49Å; K243-I246 PolarHBondContact O-N 3.04Å; N244-I246 VanDerWaalsContact C-N 3.33Å; N244-I246 PolarHBondContact O-N 3.05Å; I246-V248 PolarHBondContact O-N 3.02Å; I246-M249 PolarHBondContact O-N 3.43Å; I246-L250 HydrophobicContact CG2-CD1 4.12Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 3.48Å
247G86.5Confident87.6Confident6 Ų655.5 Ų55.56%0.06228%0.278CS..Hα-helixtrans-57.5-44.5174.700000113.2K243 N244 I245 L250 L251K243-G247 PolarHBondContact O-N 3.25Å; N244-G247 PolarHBondContact O-N 3.1Å; I245-G247 VanDerWaalsContact C-N 3.33Å; G247-L250 PolarHBondContact O-N 3.4Å; G247-L251 PolarHBondContact O-N 3.13Å
248V87.3Confident88.3Confident1 Ų153.6 Ų53.61%0.00626%0.263CS..Hα-helixtrans-60.5-44.61761670000111.6N244 I245 I246 L250 L251 V254 I422 Y426 L429N244-V248 VanDerWaalsContact O-CG2 3.32Å; N244-V248 WeakPolarHBondContact O-CG2 3.43Å; N244-V248 PolarHBondContact O-N 2.71Å; I245-V248 PolarHBondContact O-N 3.46Å; I246-V248 PolarHBondContact O-N 3.02Å; V248-L250 PolarHBondContact O-N 3.2Å; V248-L251 WeakPolarHBondContact O-CB 3.15Å; V248-L251 PolarHBondContact O-N 2.94Å; V248-L251 VanDerWaalsContact O-N 3.11Å; V248-V254 HydrophobicContact CG1-CG1 4.22Å; V248-V254 HydrophobicContact CG1-CG2 4.24Å; V248-V254 WeakPolarHBondContact O-CB 3.45Å; V248-I422 HydrophobicContact CG2-CD1 4.3Å; V248-Y426 HydrophobicContact CG1-CD1 4.3Å; V248-Y426 HydrophobicContact CG1-CD2 3.96Å; V248-Y426 HydrophobicContact CG1-CE1 3.79Å; V248-Y426 HydrophobicContact CG1-CE2 3.41Å; V248-Y426 VanDerWaalsContact CG1-CE2 3.41Å; V248-Y426 HydrophobicContact CG1-CG 4.4Å; V248-Y426 HydrophobicContact CG2-CD1 4.45Å; V248-Y426 HydrophobicContact CG2-CE1 4.16Å; V248-L429 HydrophobicContact CG1-CD2 4.2Å
249M85.9Confident88.7Confident93 Ų9353.9 Ų53.946%0.45826%0.264SS..Hα-helixtrans-61.9-29.4178.3-72.9-177.474.600112.8I245 I246 L429I245-M249 WeakPolarHBondContact O-CG 3.23Å; I245-M249 PolarHBondContact O-N 2.91Å; I246-M249 PolarHBondContact O-N 3.43Å; M249-L429 HydrophobicContact CE-CD1 4.1Å; M249-L429 HydrophobicContact CG-CD1 3.8Å; M249-L429 HydrophobicContact CG-CD2 3.55Å; M249-L429 HydrophobicContact CG-CG 4.31Å; M249-L429 HydrophobicContact SD-CD1 3.61Å; M249-L429 HydrophobicContact SD-CD2 4.43Å
250L88.2Confident89.1Confident139 Ų13946.5 Ų46.573%0.72823%0.232SC*.Hα-helixtrans-83.7-9.6179.3-65.5170.9000113.3I246 G247 V248 K252I246-L250 HydrophobicContact CG2-CD1 4.12Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 3.48Å; G247-L250 PolarHBondContact O-N 3.4Å; V248-L250 PolarHBondContact O-N 3.2Å; L250-K252 PolarHBondContact O-N 3.4Å
251L91.6Very high89.6Confident40 Ų4042.5 Ų42.521%0.20922%0.216CC..SBendtrans-65.7122.8174.6-67.6176.2000109.9G247 V248 P253 V254 A255G247-L251 PolarHBondContact O-N 3.13Å; V248-L251 WeakPolarHBondContact O-CB 3.15Å; V248-L251 PolarHBondContact O-N 2.94Å; V248-L251 VanDerWaalsContact O-N 3.11Å; L251-P253 VanDerWaalsContact C-CD 3.45Å; L251-P253 VanDerWaalsContact C-N 3.32Å; L251-V254 HydrophobicContact CB-CB 4.19Å; L251-V254 HydrophobicContact CB-CG2 3.89Å; L251-V254 HydrophobicContact CD1-CG2 4.24Å; L251-V254 WeakPolarHBondContact O-CA 3.13Å; L251-V254 WeakPolarHBondContact O-CB 3.42Å; L251-V254 PolarHBondContact O-N 3.33Å; L251-A255 PolarHBondContact O-N 3.47Å
252K93.8Very high89.9Confident149 Ų14944.7 Ų44.765%0.64823%0.228SC*.Hα-helixtrans-49.9-43.4179.1-176.2177.5-178.3177.60113.7L250 V254 A255 L256L250-K252 PolarHBondContact O-N 3.4Å; K252-V254 PolarHBondContact O-N 2.89Å; K252-A255 PolarHBondContact O-N 3.49Å; K252-L256 HydrophobicContact CG-CD1 4.21Å; K252-L256 WeakPolarHBondContact O-CB 3.23Å; K252-L256 WeakPolarHBondContact O-CG 3.34Å; K252-L256 PolarHBondContact O-N 3.46Å
253P94.2Very high90Very high13 Ų1343.5 Ų43.58%0.08423%0.226CC..Hα-helixtrans-61.8-40176.1-24.235.9000113.4L251 Y257 L535 L538 F543L251-P253 VanDerWaalsContact C-CD 3.45Å; L251-P253 VanDerWaalsContact C-N 3.32Å; P253-Y257 WeakPolarHBondContact O-CB 3.43Å; P253-Y257 PolarHBondContact O-N 3.49Å; P253-L535 HydrophobicContact CB-CD2 3.83Å; P253-L535 VanDerWaalsContact O-CD2 3.3Å; P253-L535 WeakPolarHBondContact O-CD2 3.39Å; P253-L538 HydrophobicContact CB-CD1 3.86Å; P253-L538 HydrophobicContact CG-CD1 3.75Å; P253-F543 HydrophobicContact CB-CD1 3.83Å; P253-F543 HydrophobicContact CB-CE1 3.43Å; P253-F543 VanDerWaalsContact CB-CE1 3.43Å; P253-F543 HydrophobicContact CB-CZ 3.92Å
254V92.5Very high90.2Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-70.3-44.1179-1790000110.3V248 L251 K252 L256 Y257 V258 Y426 F543V248-V254 HydrophobicContact CG1-CG1 4.22Å; V248-V254 HydrophobicContact CG1-CG2 4.24Å; V248-V254 WeakPolarHBondContact O-CB 3.45Å; L251-V254 HydrophobicContact CB-CB 4.19Å; L251-V254 HydrophobicContact CB-CG2 3.89Å; L251-V254 HydrophobicContact CD1-CG2 4.24Å; L251-V254 WeakPolarHBondContact O-CA 3.13Å; L251-V254 WeakPolarHBondContact O-CB 3.42Å; L251-V254 PolarHBondContact O-N 3.33Å; K252-V254 PolarHBondContact O-N 2.89Å; V254-L256 PolarHBondContact O-N 2.91Å; V254-Y257 WeakPolarHBondContact O-CB 3.48Å; V254-Y257 PolarHBondContact O-N 3.25Å; V254-Y257 VanDerWaalsContact O-N 3.16Å; V254-V258 HydrophobicContact CG1-CG2 4.37Å; V254-V258 WeakPolarHBondContact O-CB 3.44Å; V254-V258 WeakPolarHBondContact O-CG2 3.41Å; V254-V258 PolarHBondContact O-N 3.36Å; V254-Y426 WeakPolarHBondContact CG2-OH 3.42Å; V254-F543 HydrophobicContact CG2-CD1 4.11Å
255A93.4Very high90.3Very high45 Ų4541.9 Ų41.937%0.37222%0.22SC..Hα-helixtrans-60.2-43.2176.100000112.2L251 K252 Y257 V258 L259L251-A255 PolarHBondContact O-N 3.47Å; K252-A255 PolarHBondContact O-N 3.49Å; A255-Y257 VanDerWaalsContact C-N 3.35Å; A255-V258 PolarHBondContact O-N 3.07Å; A255-L259 WeakPolarHBondContact O-CB 3.35Å; A255-L259 PolarHBondContact O-N 3.42Å
256L94.9Very high90.2Very high37 Ų3743.1 Ų43.119%0.19423%0.227CC..Hα-helixtrans-62.6-41.9173.9-74.9173.3000111.9K252 V254 L259 I260 F527 T531 Y534 L535K252-L256 HydrophobicContact CG-CD1 4.21Å; K252-L256 WeakPolarHBondContact O-CB 3.23Å; K252-L256 WeakPolarHBondContact O-CG 3.34Å; K252-L256 PolarHBondContact O-N 3.46Å; V254-L256 PolarHBondContact O-N 2.91Å; L256-L259 PolarHBondContact O-N 2.83Å; L256-I260 WeakPolarHBondContact O-CG1 3.33Å; L256-I260 PolarHBondContact O-N 2.95Å; L256-F527 HydrophobicContact CD2-CE2 4.26Å; L256-F527 HydrophobicContact CD2-CZ 4.43Å; L256-T531 HydrophobicContact CB-CG2 3.96Å; L256-T531 HydrophobicContact CD1-CG2 4.19Å; L256-T531 HydrophobicContact CD2-CG2 4.3Å; L256-T531 HydrophobicContact CG-CG2 4.39Å; L256-Y534 HydrophobicContact CD1-CD1 4.38Å; L256-Y534 HydrophobicContact CD1-CE1 4.06Å; L256-L535 HydrophobicContact CB-CD2 4.39Å
257Y94Very high90.1Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-62.9-46.5176.9177.5-118.1000112.4P253 V254 A255 L259 I260 I261 L317 F410 F413 S414 I417 L430 L535P253-Y257 WeakPolarHBondContact O-CB 3.43Å; P253-Y257 PolarHBondContact O-N 3.49Å; V254-Y257 WeakPolarHBondContact O-CB 3.48Å; V254-Y257 PolarHBondContact O-N 3.25Å; V254-Y257 VanDerWaalsContact O-N 3.16Å; A255-Y257 VanDerWaalsContact C-N 3.35Å; Y257-L259 VanDerWaalsContact C-N 3.3Å; Y257-L259 PolarHBondContact O-N 2.92Å; Y257-I260 PolarHBondContact O-N 2.85Å; Y257-I261 HydrophobicContact CD1-CD1 3.98Å; Y257-I261 HydrophobicContact CE1-CD1 3.46Å; Y257-I261 VanDerWaalsContact CE1-CD1 3.46Å; Y257-I261 HydrophobicContact CE2-CD1 4.08Å; Y257-I261 HydrophobicContact CE2-CG1 4.34Å; Y257-I261 HydrophobicContact CG-CD1 4.48Å; Y257-I261 PolarHBondContact O-N 3.42Å; Y257-I261 VanDerWaalsContact O-N 3.07Å; Y257-L317 HydrophobicContact CD2-CD1 4.37Å; Y257-L317 HydrophobicContact CD2-CD2 4.35Å; Y257-L317 HydrophobicContact CE2-CD1 3.82Å; Y257-F410 AromaticContact CE2-CD1 3.67Å; Y257-F410 HydrophobicContact CE2-CD1 3.67Å; Y257-F410 HydrophobicContact CE2-CE1 4.08Å; Y257-F410 AromaticContact CZ-CD1 3.97Å; Y257-F410 PolarHBondContact OH-O 3.42Å; Y257-F413 HydrophobicContact CD1-CD1 4.46Å; Y257-F413 HydrophobicContact CD1-CE1 4.46Å; Y257-F413 AromaticContact CD2-CD1 3.7Å; Y257-F413 HydrophobicContact CD2-CD1 3.7Å; Y257-F413 AromaticContact CD2-CE1 3.68Å; Y257-F413 HydrophobicContact CD2-CE1 3.68Å; Y257-F413 HydrophobicContact CE1-CD1 4.13Å; Y257-F413 AromaticContact CE2-CD1 3.31Å; Y257-F413 HydrophobicContact CE2-CD1 3.31Å; Y257-F413 AromaticContact CE2-CE1 3.82Å; Y257-F413 HydrophobicContact CE2-CE1 3.82Å; Y257-F413 HydrophobicContact CE2-CG 4.24Å; Y257-F413 HydrophobicContact CG-CD1 4.25Å; Y257-F413 HydrophobicContact CG-CE1 4.02Å; Y257-F413 AromaticContact CZ-CD1 3.56Å; Y257-S414 PolarHBondContact OH-OG 3.48Å; Y257-I417 HydrophobicContact CD1-CD1 4.12Å; Y257-I417 HydrophobicContact CE1-CD1 4.29Å; Y257-L430 HydrophobicContact CD1-CD2 3.99Å; Y257-L430 HydrophobicContact CE1-CD1 4.16Å; Y257-L430 HydrophobicContact CE1-CD2 3.94Å; Y257-L535 HydrophobicContact CD2-CD1 4.36Å
258V92.1Very high89.7Confident29 Ų2938.3 Ų38.318%0.17620%0.201CC..Hα-helixtrans-58.1-42.8174164.20000110.9V254 A255 I260 I261 I262 L430 V433V254-V258 HydrophobicContact CG1-CG2 4.37Å; V254-V258 WeakPolarHBondContact O-CB 3.44Å; V254-V258 WeakPolarHBondContact O-CG2 3.41Å; V254-V258 PolarHBondContact O-N 3.36Å; A255-V258 PolarHBondContact O-N 3.07Å; V258-I260 PolarHBondContact O-N 2.95Å; V258-I261 WeakPolarHBondContact O-CB 3.41Å; V258-I261 PolarHBondContact O-N 2.85Å; V258-I262 HydrophobicContact CG1-CD1 3.71Å; V258-I262 HydrophobicContact CG1-CG1 4.43Å; V258-I262 WeakPolarHBondContact O-CG1 3.14Å; V258-I262 PolarHBondContact O-N 3.07Å; V258-L430 HydrophobicContact CG2-CD2 4.39Å; V258-V433 HydrophobicContact CB-CG1 4.29Å; V258-V433 HydrophobicContact CG1-CG1 3.75Å; V258-V433 HydrophobicContact CG1-CG2 4.23Å; V258-V433 HydrophobicContact CG2-CG1 4.17Å; V258-V433 HydrophobicContact CG2-CG2 4.16Å
259L93.1Very high88.8Confident73 Ų7341.1 Ų41.138%0.38221%0.213SC..Hα-helixtrans-64.1-40.8178.3-173.760.8000112.3A255 L256 Y257 I261 I262 L263 F527A255-L259 WeakPolarHBondContact O-CB 3.35Å; A255-L259 PolarHBondContact O-N 3.42Å; L256-L259 PolarHBondContact O-N 2.83Å; Y257-L259 VanDerWaalsContact C-N 3.3Å; Y257-L259 PolarHBondContact O-N 2.92Å; L259-I261 VanDerWaalsContact C-N 3.33Å; L259-I261 PolarHBondContact O-N 3.2Å; L259-I262 PolarHBondContact O-N 3.3Å; L259-L263 HydrophobicContact CD1-CD1 3.83Å; L259-L263 HydrophobicContact CD1-CG 3.97Å; L259-L263 HydrophobicContact CG-CD1 3.9Å; L259-L263 HydrophobicContact CG-CG 4.4Å; L259-L263 WeakPolarHBondContact O-CB 3.43Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 3.38Å; L259-F527 HydrophobicContact CB-CZ 4.34Å; L259-F527 HydrophobicContact CD2-CE1 4.13Å; L259-F527 HydrophobicContact CD2-CE2 4.44Å; L259-F527 HydrophobicContact CD2-CZ 3.64Å; L259-F527 HydrophobicContact CG-CE1 4Å; L259-F527 HydrophobicContact CG-CZ 3.93Å
260I92.7Very high87.6Confident1 Ų136.7 Ų36.71%0.00519%0.191CC..Hα-helixtrans-59.2-45.1172.6-67170.1000110.5L256 Y257 V258 G264 F410 F527 F528 T531 L535L256-I260 WeakPolarHBondContact O-CG1 3.33Å; L256-I260 PolarHBondContact O-N 2.95Å; Y257-I260 PolarHBondContact O-N 2.85Å; V258-I260 PolarHBondContact O-N 2.95Å; I260-G264 WeakPolarHBondContact O-CA 3.4Å; I260-G264 PolarHBondContact O-N 3.47Å; I260-F410 HydrophobicContact CG2-CE1 3.92Å; I260-F410 HydrophobicContact CG2-CZ 3.97Å; I260-F527 HydrophobicContact CG1-CE1 3.92Å; I260-F527 HydrophobicContact CG1-CZ 4.19Å; I260-F528 HydrophobicContact CB-CD1 4.42Å; I260-F528 HydrophobicContact CG1-CD1 4.24Å; I260-F528 HydrophobicContact CG2-CD1 4.07Å; I260-T531 HydrophobicContact CD1-CG2 3.74Å; I260-T531 HydrophobicContact CG1-CG2 4.44Å; I260-L535 HydrophobicContact CD1-CD1 3.95Å
261I90.4Very high86.4Confident2 Ų230.2 Ų30.21%0.0116%0.157CC..Hα-helixtrans-60.8-50.1179.4-69.8166.6000110.8Y257 V258 L259 K265 F410 V433 Q434 A437Y257-I261 HydrophobicContact CD1-CD1 3.98Å; Y257-I261 HydrophobicContact CE1-CD1 3.46Å; Y257-I261 VanDerWaalsContact CE1-CD1 3.46Å; Y257-I261 HydrophobicContact CE2-CD1 4.08Å; Y257-I261 HydrophobicContact CE2-CG1 4.34Å; Y257-I261 HydrophobicContact CG-CD1 4.48Å; Y257-I261 PolarHBondContact O-N 3.42Å; Y257-I261 VanDerWaalsContact O-N 3.07Å; V258-I261 WeakPolarHBondContact O-CB 3.41Å; V258-I261 PolarHBondContact O-N 2.85Å; L259-I261 VanDerWaalsContact C-N 3.33Å; L259-I261 PolarHBondContact O-N 3.2Å; I261-K265 WeakPolarHBondContact O-CB 3.4Å; I261-K265 WeakPolarHBondContact O-CG 3.1Å; I261-K265 PolarHBondContact O-N 3.41Å; I261-F410 HydrophobicContact CD1-CD1 4.23Å; I261-F410 HydrophobicContact CG1-CD1 3.59Å; I261-F410 HydrophobicContact CG1-CE1 3.69Å; I261-F410 HydrophobicContact CG1-CG 4.33Å; I261-F410 HydrophobicContact CG1-CZ 4.47Å; I261-V433 HydrophobicContact CB-CG1 4.38Å; I261-V433 HydrophobicContact CG2-CG1 4.07Å; I261-Q434 HydrophobicContact CD1-CG 4.24Å; I261-Q434 HydrophobicContact CG2-CB 4.42Å; I261-Q434 HydrophobicContact CG2-CG 3.79Å; I261-A437 HydrophobicContact CG2-CB 4.19Å
262I89.6Confident85.5Confident47 Ų4729.7 Ų29.724%0.24115%0.153CC..Hα-helixtrans-62.3-55.8-175.9-68.5169.1000110.5V258 L259 G264 K265 I266 V433 A437V258-I262 HydrophobicContact CG1-CD1 3.71Å; V258-I262 HydrophobicContact CG1-CG1 4.43Å; V258-I262 WeakPolarHBondContact O-CG1 3.14Å; V258-I262 PolarHBondContact O-N 3.07Å; L259-I262 PolarHBondContact O-N 3.3Å; I262-G264 PolarHBondContact O-N 2.84Å; I262-K265 PolarHBondContact O-N 3Å; I262-I266 HydrophobicContact CG2-CD1 3.79Å; I262-I266 VanDerWaalsContact O-CG1 3.32Å; I262-I266 WeakPolarHBondContact O-CG1 3.49Å; I262-I266 PolarHBondContact O-N 3.38Å; I262-V433 HydrophobicContact CD1-CG1 4.49Å; I262-V433 HydrophobicContact CG1-CG1 4.22Å; I262-A437 HydrophobicContact CB-CB 4.42Å; I262-A437 HydrophobicContact CG1-CB 4.07Å
263L90.2Very high84.5Confident51 Ų5124 Ų2427%0.26713%0.132SC..Hα-helixtrans-64.1-41.5-178.5-67.2177.9000111.7L259 K265 I266 C267 L523 F527 F528L259-L263 HydrophobicContact CD1-CD1 3.83Å; L259-L263 HydrophobicContact CD1-CG 3.97Å; L259-L263 HydrophobicContact CG-CD1 3.9Å; L259-L263 HydrophobicContact CG-CG 4.4Å; L259-L263 WeakPolarHBondContact O-CB 3.43Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 3.38Å; L263-K265 PolarHBondContact O-N 3.35Å; L263-I266 PolarHBondContact O-N 3.16Å; L263-C267 PolarHBondContact O-N 2.93Å; L263-C267 VanDerWaalsContact O-N 3.15Å; L263-C267 PolarHBondContact O-SG 3.17Å; L263-L523 HydrophobicContact CB-CD1 4.3Å; L263-L523 HydrophobicContact CD1-CD1 4.48Å; L263-F527 HydrophobicContact CD1-CD1 4.2Å; L263-F527 HydrophobicContact CD1-CE1 4Å; L263-F528 HydrophobicContact CB-CE1 3.73Å; L263-F528 HydrophobicContact CB-CZ 3.77Å; L263-F528 HydrophobicContact CD1-CE1 4.44Å
264G87.8Confident83.8Confident5 Ų523.4 Ų23.45%0.05213%0.128CC..Hα-helixtrans-62.4-40.4178.400000112.7I260 I262 T268 Y324I260-G264 WeakPolarHBondContact O-CA 3.4Å; I260-G264 PolarHBondContact O-N 3.47Å; I262-G264 PolarHBondContact O-N 2.84Å; G264-T268 WeakPolarHBondContact O-CG2 3.36Å; G264-T268 PolarHBondContact O-N 3.1Å; G264-T268 PolarHBondContact O-OG1 3.23Å; G264-Y324 WeakPolarHBondContact O-CE2 3.41Å; G264-Y324 PolarHBondContact O-OH 3.43Å
265K85.6Confident83.5Confident37 Ų3723.4 Ų23.416%0.16113%0.128CC..Hα-helixtrans-70.6-41.6175.6-77.8-150.8177.1-1710112.5I261 I262 L263 C267 T268 F269 Q434 A437I261-K265 WeakPolarHBondContact O-CB 3.4Å; I261-K265 WeakPolarHBondContact O-CG 3.1Å; I261-K265 PolarHBondContact O-N 3.41Å; I262-K265 PolarHBondContact O-N 3Å; L263-K265 PolarHBondContact O-N 3.35Å; K265-C267 VanDerWaalsContact C-N 3.3Å; K265-C267 PolarHBondContact O-N 2.96Å; K265-T268 PolarHBondContact O-N 2.8Å; K265-T268 VanDerWaalsContact O-N 3.07Å; K265-T268 PolarHBondContact O-OG1 3.39Å; K265-F269 WeakPolarHBondContact O-CB 3.2Å; K265-F269 PolarHBondContact O-N 3.49Å; K265-Q434 WeakPolarHBondContact CD-O 3.07Å; K265-Q434 WeakPolarHBondContact CE-O 3.26Å; K265-Q434 PolarHBondContact NZ-O 3.43Å; K265-A437 HydrophobicContact CB-CB 3.93Å; K265-A437 HydrophobicContact CD-CB 3.94Å; K265-A437 HydrophobicContact CG-CB 4.23Å
266I83.5Confident83Confident37 Ų3723.4 Ų23.419%0.1912%0.12CC..Hα-helixtrans-56.5-46.9178.4-70166.9000110.7I262 L263 T268 I444I262-I266 HydrophobicContact CG2-CD1 3.79Å; I262-I266 VanDerWaalsContact O-CG1 3.32Å; I262-I266 WeakPolarHBondContact O-CG1 3.49Å; I262-I266 PolarHBondContact O-N 3.38Å; L263-I266 PolarHBondContact O-N 3.16Å; I266-T268 VanDerWaalsContact C-N 3.25Å; I266-T268 PolarHBondContact O-N 3.47Å; I266-I444 HydrophobicContact CD1-CD1 4.5Å
267C84.5Confident82.4Confident4 Ų425.8 Ų25.83%0.02713%0.133CC..Hα-helixtrans-67.6-19.6179.1-68.60000114.7L263 K265 Y324L263-C267 PolarHBondContact O-N 2.93Å; L263-C267 VanDerWaalsContact O-N 3.15Å; L263-C267 PolarHBondContact O-SG 3.17Å; K265-C267 VanDerWaalsContact C-N 3.3Å; K265-C267 PolarHBondContact O-N 2.96Å; C267-Y324 WeakPolarHBondContact CB-OH 3.42Å
268T79Confident82.1Confident2 Ų226.5 Ų26.51%0.01214%0.136CC..Hα-helixtrans-111.7-20.8-174.5540000115G264 K265 I266 T271 Y324 R327 L328 N331G264-T268 WeakPolarHBondContact O-CG2 3.36Å; G264-T268 PolarHBondContact O-N 3.1Å; G264-T268 PolarHBondContact O-OG1 3.23Å; K265-T268 PolarHBondContact O-N 2.8Å; K265-T268 VanDerWaalsContact O-N 3.07Å; K265-T268 PolarHBondContact O-OG1 3.39Å; I266-T268 VanDerWaalsContact C-N 3.25Å; I266-T268 PolarHBondContact O-N 3.47Å; T268-T271 PolarHBondContact O-OG1 3.41Å; T268-Y324 HydrophobicContact CG2-CD2 4.12Å; T268-Y324 HydrophobicContact CG2-CE2 3.43Å; T268-Y324 VanDerWaalsContact CG2-CE2 3.43Å; T268-R327 HydrophobicContact CG2-CG 4.01Å; T268-L328 HydrophobicContact CG2-CD1 4.44Å; T268-N331 PolarHBondContact O-ND2 3.01Å
269F67.3Low81.8Confident59 Ų5925.1 Ų25.126%0.25913%0.128SC..Hα-helixtrans-103.7-29.5-166.4-147.8-84.7000114.5K265 T271 Y272K265-F269 WeakPolarHBondContact O-CB 3.2Å; K265-F269 PolarHBondContact O-N 3.49Å; F269-T271 PolarHBondContact O-N 3.12Å; F269-Y272 PolarHBondContact O-N 2.97Å
270G60.9Low81.4Confident0 Ų024.1 Ų24.10%012%0.122CC..Hα-helixtrans-54.7-43.3-178.100000112.3A274 C445G270-A274 WeakPolarHBondContact O-CB 3.43Å; G270-A274 PolarHBondContact O-N 3.38Å; G270-C445 VanDerWaalsContact CA-SG 3.57Å; G270-C445 PolarHBondContact O-SG 3.34Å
271T63.7Low80.9Confident3 Ų328.2 Ų28.22%0.01814%0.141CC..Hα-helixtrans-64.2-45.9-177.149.10000113.3T268 F269 S273 A274 T275 N331 V513 L516T268-T271 PolarHBondContact O-OG1 3.41Å; F269-T271 PolarHBondContact O-N 3.12Å; T271-S273 PolarHBondContact O-N 3.31Å; T271-A274 PolarHBondContact O-N 3.22Å; T271-T275 WeakPolarHBondContact O-CB 3.42Å; T271-T275 PolarHBondContact O-N 2.93Å; T271-T275 PolarHBondContact O-OG1 3.45Å; T271-N331 WeakPolarHBondContact CB-OD1 3.49Å; T271-N331 HydrophobicContact CG2-CB 4.26Å; T271-N331 PolarHBondContact OG1-ND2 3.27Å; T271-N331 VanDerWaalsContact OG1-ND2 3.12Å; T271-N331 PolarHBondContact OG1-OD1 3.37Å; T271-V513 HydrophobicContact CG2-CB 4.07Å; T271-V513 HydrophobicContact CG2-CG1 4.02Å; T271-V513 HydrophobicContact CG2-CG2 3.52Å; T271-L516 HydrophobicContact CG2-CD1 4.29Å
272Y73.1Confident80.4Confident30 Ų3030.4 Ų30.412%0.11815%0.152CC..Hα-helixtrans-58.2-49-175.1-178.9-98.1000113.2F269 T275 H276 F396 D399 R400F269-Y272 PolarHBondContact O-N 2.97Å; Y272-T275 WeakPolarHBondContact O-CB 3.38Å; Y272-T275 PolarHBondContact O-N 2.91Å; Y272-H276 PolarHBondContact O-N 3.42Å; Y272-F396 AromaticContact CE2-CD1 3.72Å; Y272-F396 HydrophobicContact CE2-CD1 3.72Å; Y272-F396 AromaticContact CE2-CE1 3.83Å; Y272-F396 HydrophobicContact CE2-CE1 3.83Å; Y272-D399 WeakPolarHBondContact CD2-OD2 3.49Å; Y272-D399 WeakPolarHBondContact CE2-OD2 3.32Å; Y272-R400 PolarHBondContact OH-NE 2.77Å; Y272-R400 PolarHBondContact OH-NH2 2.89Å
273S72.3Confident79.9Confident29 Ų2928.6 Ų28.620%0.20314%0.144CC..Hα-helixtrans-69-40-178.9-59.40000111.1T271 H276 L277 N442T271-S273 PolarHBondContact O-N 3.31Å; S273-H276 PolarHBondContact O-N 3.15Å; S273-L277 PolarHBondContact O-N 2.72Å; S273-N442 WeakPolarHBondContact CB-OD1 3.35Å; S273-N442 PolarHBondContact OG-OD1 2.65Å
274A79.4Confident79.5Confident1 Ų126.4 Ų26.41%0.00813%0.133CC..Hα-helixtrans-62.6-42.5173.500000112G270 T271 H276 L277 K278 L446 I449 Y509G270-A274 WeakPolarHBondContact O-CB 3.43Å; G270-A274 PolarHBondContact O-N 3.38Å; T271-A274 PolarHBondContact O-N 3.22Å; A274-H276 VanDerWaalsContact C-N 3.3Å; A274-H276 PolarHBondContact O-N 2.81Å; A274-L277 PolarHBondContact O-N 3.16Å; A274-K278 WeakPolarHBondContact O-CB 3.39Å; A274-K278 VanDerWaalsContact O-CG 3.26Å; A274-K278 WeakPolarHBondContact O-CG 3.42Å; A274-K278 PolarHBondContact O-N 2.7Å; A274-L446 HydrophobicContact CB-CD2 4.19Å; A274-I449 HydrophobicContact CB-CD1 3.64Å; A274-Y509 HydrophobicContact CB-CD2 3.9Å; A274-Y509 HydrophobicContact CB-CE2 3.89Å
275T85.2Confident79.1Confident0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-56.2-45.2176.6-57.40000110.9T271 Y272 L277 K278 I279 F334 L338 Y509T271-T275 WeakPolarHBondContact O-CB 3.42Å; T271-T275 PolarHBondContact O-N 2.93Å; T271-T275 PolarHBondContact O-OG1 3.45Å; Y272-T275 WeakPolarHBondContact O-CB 3.38Å; Y272-T275 PolarHBondContact O-N 2.91Å; T275-L277 VanDerWaalsContact C-N 3.32Å; T275-L277 PolarHBondContact O-N 2.74Å; T275-K278 PolarHBondContact O-N 3.5Å; T275-I279 HydrophobicContact CG2-CD1 3.82Å; T275-I279 HydrophobicContact CG2-CG1 4.37Å; T275-I279 VanDerWaalsContact O-CG1 3.3Å; T275-I279 WeakPolarHBondContact O-CG1 3.12Å; T275-I279 PolarHBondContact O-N 2.9Å; T275-F334 HydrophobicContact CG2-CB 3.81Å; T275-F334 HydrophobicContact CG2-CD1 3.56Å; T275-F334 HydrophobicContact CG2-CD2 4.33Å; T275-F334 HydrophobicContact CG2-CE1 4.18Å; T275-F334 HydrophobicContact CG2-CG 3.64Å; T275-L338 HydrophobicContact CG2-CD1 4.17Å; T275-Y509 PolarHBondContact OG1-OH 2.88Å
276H83.1Confident78.7Confident44 Ų4432.1 Ų32.120%0.20416%0.159CC..Hα-helixtrans-59.8-43.3-180-140-111.7000111.6Y272 S273 A274 I280 L289 N293 F396Y272-H276 PolarHBondContact O-N 3.42Å; S273-H276 PolarHBondContact O-N 3.15Å; A274-H276 VanDerWaalsContact C-N 3.3Å; A274-H276 PolarHBondContact O-N 2.81Å; H276-I280 WeakPolarHBondContact O-CG1 3.46Å; H276-I280 PolarHBondContact O-N 3.25Å; H276-L289 WeakPolarHBondContact CE1-CD2 3.31Å; H276-L289 WeakPolarHBondContact CE1-CG 3.3Å; H276-L289 VanDerWaalsContact ND1-CD2 3.29Å; H276-L289 WeakPolarHBondContact ND1-CD2 3.28Å; H276-L289 WeakPolarHBondContact NE2-CD2 3.46Å; H276-L289 VanDerWaalsContact NE2-CG 3.3Å; H276-L289 WeakPolarHBondContact NE2-CG 3.42Å; H276-N293 PolarHBondContact CE1-ND2 3.02Å; H276-N293 VanDerWaalsContact CE1-ND2 3.3Å; H276-N293 PolarHBondContact NE2-ND2 2.93Å; H276-F396 AromaticContact CD2-CZ 3.91Å
277L83Confident78.3Confident88 Ų8838 Ų3846%0.46119%0.186SC..Hα-helixtrans-68.5-40.6175-66.2175.8000112.1S273 A274 T275 I279 I280 E281 L446S273-L277 PolarHBondContact O-N 2.72Å; A274-L277 PolarHBondContact O-N 3.16Å; T275-L277 VanDerWaalsContact C-N 3.32Å; T275-L277 PolarHBondContact O-N 2.74Å; L277-I279 PolarHBondContact O-N 2.85Å; L277-I280 PolarHBondContact O-N 3.27Å; L277-I280 VanDerWaalsContact O-N 3.17Å; L277-E281 PolarHBondContact O-N 2.91Å; L277-L446 HydrophobicContact CD1-CD1 4.43Å; L277-L446 HydrophobicContact CD1-CD2 3.78Å
278K86.5Confident78.1Confident15 Ų1541.6 Ų41.67%0.06520%0.201CC..Hα-helixtrans-64.5-37.1178.4-70.3-68.3174.1-175.50112.6A274 T275 I280 E281 Q282 L338 D507 Y509A274-K278 WeakPolarHBondContact O-CB 3.39Å; A274-K278 VanDerWaalsContact O-CG 3.26Å; A274-K278 WeakPolarHBondContact O-CG 3.42Å; A274-K278 PolarHBondContact O-N 2.7Å; T275-K278 PolarHBondContact O-N 3.5Å; K278-I280 VanDerWaalsContact C-N 3.32Å; K278-I280 PolarHBondContact O-N 3.48Å; K278-E281 IonicContact NZ-OE1 3.09Å; K278-E281 IonicContact NZ-OE2 2.92Å; K278-E281 PolarHBondContact NZ-OE2 3.49Å; K278-E281 PolarHBondContact O-N 2.96Å; K278-Q282 VanDerWaalsContact O-CG 3.27Å; K278-Q282 WeakPolarHBondContact O-CG 3.4Å; K278-Q282 PolarHBondContact O-N 3.07Å; K278-Q282 VanDerWaalsContact O-N 3.11Å; K278-L338 HydrophobicContact CB-CD1 4.01Å; K278-L338 HydrophobicContact CB-CD2 3.72Å; K278-D507 WeakPolarHBondContact CE-OD1 3.46Å; K278-D507 VanDerWaalsContact NZ-CG 3.26Å; K278-D507 IonicContact NZ-OD1 3.18Å; K278-D507 PolarHBondContact NZ-OD1 3.45Å; K278-D507 IonicContact NZ-OD2 2.84Å; K278-D507 PolarHBondContact NZ-OD2 3.2Å; K278-Y509 HydrophobicContact CG-CD2 4.1Å; K278-Y509 HydrophobicContact CG-CG 4.22Å
279I86.3Confident78.2Confident0 Ų041.6 Ų41.60%020%0.201CC..Hα-helixtrans-61.2-43.7173.1-70161.5000110.5T275 L277 Q282 F284 L338 I341 L392 F396T275-I279 HydrophobicContact CG2-CD1 3.82Å; T275-I279 HydrophobicContact CG2-CG1 4.37Å; T275-I279 VanDerWaalsContact O-CG1 3.3Å; T275-I279 WeakPolarHBondContact O-CG1 3.12Å; T275-I279 PolarHBondContact O-N 2.9Å; L277-I279 PolarHBondContact O-N 2.85Å; I279-Q282 PolarHBondContact O-N 3.17Å; I279-F284 HydrophobicContact CG2-CB 3.45Å; I279-F284 VanDerWaalsContact CG2-CB 3.45Å; I279-F284 HydrophobicContact CG2-CD1 3.84Å; I279-F284 HydrophobicContact CG2-CD2 4.39Å; I279-F284 HydrophobicContact CG2-CG 3.65Å; I279-F284 VanDerWaalsContact O-CB 3.28Å; I279-F284 WeakPolarHBondContact O-CB 3.49Å; I279-F284 PolarHBondContact O-N 2.99Å; I279-L338 HydrophobicContact CG1-CD2 3.71Å; I279-I341 HydrophobicContact CG1-CD1 4.2Å; I279-L392 HydrophobicContact CD1-CD1 3.73Å; I279-F396 HydrophobicContact CD1-CE2 4.26Å; I279-F396 HydrophobicContact CD1-CZ 3.71Å
280I84.3Confident78.8Confident52 Ų5241.5 Ų41.527%0.26721%0.211SC..Hα-helixtrans-66.7-40.8176.9-63.6167.9000111.1H276 L277 K278 Q282 G283 K286 L289H276-I280 WeakPolarHBondContact O-CG1 3.46Å; H276-I280 PolarHBondContact O-N 3.25Å; L277-I280 PolarHBondContact O-N 3.27Å; L277-I280 VanDerWaalsContact O-N 3.17Å; K278-I280 VanDerWaalsContact C-N 3.32Å; K278-I280 PolarHBondContact O-N 3.48Å; I280-Q282 PolarHBondContact O-N 3.11Å; I280-G283 PolarHBondContact O-N 3.41Å; I280-K286 HydrophobicContact CD1-CB 4.34Å; I280-K286 HydrophobicContact CD1-CG 4.18Å; I280-L289 HydrophobicContact CD1-CD2 4Å; I280-L289 HydrophobicContact CG1-CD2 3.95Å
281E82.2Confident79.7Confident86 Ų8647.5 Ų47.540%0.40224%0.242SC..Hα-helixtrans-57.4-33.2175.1-78.7-177.2-167.300112.5L277 K278 G283 K504L277-E281 PolarHBondContact O-N 2.91Å; K278-E281 IonicContact NZ-OE1 3.09Å; K278-E281 IonicContact NZ-OE2 2.92Å; K278-E281 PolarHBondContact NZ-OE2 3.49Å; K278-E281 PolarHBondContact O-N 2.96Å; E281-G283 PolarHBondContact O-N 2.97Å; E281-K504 IonicContact OE2-NZ 3.26Å; E281-K504 PolarHBondContact OE2-NZ 3.19Å
282Q81.4Confident80.7Confident49 Ų4948.6 Ų48.623%0.22925%0.248CC..THydrogen-bonded Turntrans-80.312.1176.6-63.2-69.2-4.800113.4K278 I279 I280 I341 R345K278-Q282 VanDerWaalsContact O-CG 3.27Å; K278-Q282 WeakPolarHBondContact O-CG 3.4Å; K278-Q282 PolarHBondContact O-N 3.07Å; K278-Q282 VanDerWaalsContact O-N 3.11Å; I279-Q282 PolarHBondContact O-N 3.17Å; I280-Q282 PolarHBondContact O-N 3.11Å; Q282-I341 HydrophobicContact CB-CB 4.44Å; Q282-I341 HydrophobicContact CB-CD1 4.21Å; Q282-I341 HydrophobicContact CB-CG2 3.85Å; Q282-I341 HydrophobicContact CG-CD1 4.31Å; Q282-R345 PolarHBondContact O-NE 3.25Å; Q282-R345 PolarHBondContact O-NH2 3.42Å
283G78Confident81Confident9 Ų948.8 Ų48.89%0.09325%0.251CS..THydrogen-bonded Turntrans83.716.1172.300000114.9I280 E281 Y382I280-G283 PolarHBondContact O-N 3.41Å; E281-G283 PolarHBondContact O-N 2.97Å; G283-Y382 PolarHBondContact O-N 2.85Å
284F82.8Confident81.5Confident5 Ų549.2 Ų49.22%0.02225%0.251CS..  trans-74.6128.5167.5-164.5-92.8000110.3I279 K286 K288 L289 F384 F388 Y389 L392I279-F284 HydrophobicContact CG2-CB 3.45Å; I279-F284 VanDerWaalsContact CG2-CB 3.45Å; I279-F284 HydrophobicContact CG2-CD1 3.84Å; I279-F284 HydrophobicContact CG2-CD2 4.39Å; I279-F284 HydrophobicContact CG2-CG 3.65Å; I279-F284 VanDerWaalsContact O-CB 3.28Å; I279-F284 WeakPolarHBondContact O-CB 3.49Å; I279-F284 PolarHBondContact O-N 2.99Å; F284-K286 PolarHBondContact O-N 3.33Å; F284-K288 HydrophobicContact CD1-CB 4.44Å; F284-K288 HydrophobicContact CE1-CB 3.65Å; F284-K288 HydrophobicContact CZ-CB 3.86Å; F284-L289 HydrophobicContact CD1-CB 4.06Å; F284-L289 HydrophobicContact CD1-CD1 4.48Å; F284-L289 HydrophobicContact CE1-CB 3.87Å; F284-L289 HydrophobicContact CE1-CD1 4.16Å; F284-F384 HydrophobicContact CB-CE2 4.08Å; F284-F384 HydrophobicContact CB-CZ 4.35Å; F284-F384 AromaticContact CD2-CD2 3.58Å; F284-F384 HydrophobicContact CD2-CD2 3.58Å; F284-F384 AromaticContact CD2-CE2 3.54Å; F284-F384 HydrophobicContact CD2-CE2 3.54Å; F284-F384 HydrophobicContact CD2-CG 4.3Å; F284-F384 HydrophobicContact CD2-CZ 4.2Å; F284-F384 HydrophobicContact CE2-CD2 4.05Å; F284-F384 HydrophobicContact CE2-CE2 4.44Å; F284-F384 HydrophobicContact CG-CE2 4.23Å; F284-F388 AromaticContact CD2-CE1 3.83Å; F284-F388 HydrophobicContact CD2-CE1 3.83Å; F284-F388 HydrophobicContact CE2-CD1 4.35Å; F284-F388 AromaticContact CE2-CE1 3.81Å; F284-F388 HydrophobicContact CE2-CE1 3.81Å; F284-Y389 HydrophobicContact CE2-CD1 4.3Å; F284-Y389 AromaticContact CE2-CE1 3.66Å; F284-Y389 HydrophobicContact CE2-CE1 3.66Å; F284-Y389 HydrophobicContact CZ-CD1 4.19Å; F284-Y389 AromaticContact CZ-CE1 3.63Å; F284-Y389 HydrophobicContact CZ-CE1 3.63Å; F284-L392 HydrophobicContact CZ-CD2 4.31Å
285A79.3Confident81.7Confident16 Ų1651.5 Ų51.513%0.13228%0.275CS..  trans-63.3129.3-177.700000111.5E287 K288 L289 T381A285-E287 PolarHBondContact O-N 2.87Å; A285-K288 HydrophobicContact CB-CB 4.37Å; A285-K288 HydrophobicContact CB-CD 4.29Å; A285-K288 HydrophobicContact CB-CG 4.1Å; A285-K288 PolarHBondContact O-N 3.3Å; A285-K288 VanDerWaalsContact O-N 3.12Å; A285-L289 PolarHBondContact O-N 3.46Å; A285-T381 HydrophobicContact CB-CG2 4.48Å
286K76.4Confident81.8Confident146 Ų14652 Ų5264%0.63528%0.277SS*.Hα-helixtrans-56.7-36.8178-175.1-176.7176.6-171.90112I280 F284 L289 A290I280-K286 HydrophobicContact CD1-CB 4.34Å; I280-K286 HydrophobicContact CD1-CG 4.18Å; F284-K286 PolarHBondContact O-N 3.33Å; K286-L289 PolarHBondContact O-N 3.4Å; K286-A290 PolarHBondContact O-N 2.95Å
287E74.7Confident81.8Confident161 Ų16150.6 Ų50.675%0.75227%0.271SS*.Hα-helixtrans-62.2-44177.1-67.2147.3-15600112.3A285 L289 A290 L291A285-E287 PolarHBondContact O-N 2.87Å; E287-L289 VanDerWaalsContact C-N 3.25Å; E287-L289 PolarHBondContact O-N 3.11Å; E287-A290 PolarHBondContact O-N 3.02Å; E287-L291 WeakPolarHBondContact O-CB 3.12Å; E287-L291 PolarHBondContact O-N 3.49Å
288K81.9Confident81.9Confident79 Ų7948.8 Ų48.834%0.34327%0.265SS..Hα-helixtrans-63.2-36176.6-70-174.5177.3-177.70111.5F284 A285 L291 L292 Y389F284-K288 HydrophobicContact CD1-CB 4.44Å; F284-K288 HydrophobicContact CE1-CB 3.65Å; F284-K288 HydrophobicContact CZ-CB 3.86Å; A285-K288 HydrophobicContact CB-CB 4.37Å; A285-K288 HydrophobicContact CB-CD 4.29Å; A285-K288 HydrophobicContact CB-CG 4.1Å; A285-K288 PolarHBondContact O-N 3.3Å; A285-K288 VanDerWaalsContact O-N 3.12Å; K288-L291 PolarHBondContact O-N 3.01Å; K288-L292 WeakPolarHBondContact O-CB 3.15Å; K288-L292 PolarHBondContact O-N 2.91Å; K288-Y389 HydrophobicContact CD-CE1 4.42Å; K288-Y389 PolarHBondContact NZ-OH 3.27Å
289L81.4Confident81.9Confident1 Ų150.9 Ų50.91%0.00528%0.276CS..Hα-helixtrans-72.6-36.4177.8-164.963.3000111.7H276 I280 F284 A285 K286 E287 L292 N293 F396H276-L289 WeakPolarHBondContact CE1-CD2 3.31Å; H276-L289 WeakPolarHBondContact CE1-CG 3.3Å; H276-L289 VanDerWaalsContact ND1-CD2 3.29Å; H276-L289 WeakPolarHBondContact ND1-CD2 3.28Å; H276-L289 WeakPolarHBondContact NE2-CD2 3.46Å; H276-L289 VanDerWaalsContact NE2-CG 3.3Å; H276-L289 WeakPolarHBondContact NE2-CG 3.42Å; I280-L289 HydrophobicContact CD1-CD2 4Å; I280-L289 HydrophobicContact CG1-CD2 3.95Å; F284-L289 HydrophobicContact CD1-CB 4.06Å; F284-L289 HydrophobicContact CD1-CD1 4.48Å; F284-L289 HydrophobicContact CE1-CB 3.87Å; F284-L289 HydrophobicContact CE1-CD1 4.16Å; A285-L289 PolarHBondContact O-N 3.46Å; K286-L289 PolarHBondContact O-N 3.4Å; E287-L289 VanDerWaalsContact C-N 3.25Å; E287-L289 PolarHBondContact O-N 3.11Å; L289-L292 HydrophobicContact CD1-CD2 4.44Å; L289-L292 WeakPolarHBondContact O-CB 3.16Å; L289-L292 PolarHBondContact O-N 3.48Å; L289-N293 PolarHBondContact O-N 2.69Å; L289-N293 VanDerWaalsContact O-N 3.08Å; L289-N293 PolarHBondContact O-ND2 3.43Å; L289-F396 HydrophobicContact CD1-CE2 3.97Å; L289-F396 HydrophobicContact CD1-CZ 4.3Å
290A78Confident81.8Confident58 Ų5851.9 Ų51.948%0.47928%0.281SS..Hα-helixtrans-64.3-44171.300000111.5K286 E287 L292 N293 L294K286-A290 PolarHBondContact O-N 2.95Å; E287-A290 PolarHBondContact O-N 3.02Å; A290-L292 VanDerWaalsContact C-N 3.3Å; A290-L292 PolarHBondContact O-N 3.49Å; A290-N293 PolarHBondContact O-N 3.14Å; A290-L294 PolarHBondContact O-N 3.09Å
291L81Confident81.9Confident125 Ų12552 Ų5265%0.65428%0.28SS*.Hα-helixtrans-60.8-39.8175-166.783.4000111.7E287 K288 L294 G295E287-L291 WeakPolarHBondContact O-CB 3.12Å; E287-L291 PolarHBondContact O-N 3.49Å; K288-L291 PolarHBondContact O-N 3.01Å; L291-L294 WeakPolarHBondContact O-CB 3.37Å; L291-L294 PolarHBondContact O-N 2.95Å; L291-G295 PolarHBondContact O-N 2.88Å; L291-G295 VanDerWaalsContact O-N 3.1Å
292L84.1Confident82.2Confident26 Ų2651.8 Ų51.814%0.13628%0.28CS..Hα-helixtrans-60.2-48175-16370.1000111.6K288 L289 A290 L294 G295 F296 L392 I393 F396K288-L292 WeakPolarHBondContact O-CB 3.15Å; K288-L292 PolarHBondContact O-N 2.91Å; L289-L292 HydrophobicContact CD1-CD2 4.44Å; L289-L292 WeakPolarHBondContact O-CB 3.16Å; L289-L292 PolarHBondContact O-N 3.48Å; A290-L292 VanDerWaalsContact C-N 3.3Å; A290-L292 PolarHBondContact O-N 3.49Å; L292-L294 VanDerWaalsContact C-N 3.28Å; L292-L294 PolarHBondContact O-N 3.11Å; L292-G295 PolarHBondContact O-N 2.97Å; L292-G295 VanDerWaalsContact O-N 3.11Å; L292-F296 HydrophobicContact CD1-CZ 4.5Å; L292-F296 HydrophobicContact CD2-CE2 4.07Å; L292-F296 HydrophobicContact CD2-CZ 4.36Å; L292-F296 HydrophobicContact CG-CE2 3.78Å; L292-F296 HydrophobicContact CG-CZ 4.04Å; L292-F296 WeakPolarHBondContact O-CD2 3.15Å; L292-F296 PolarHBondContact O-N 3.45Å; L292-L392 HydrophobicContact CD2-CD2 4.15Å; L292-L392 HydrophobicContact CD2-CG 4.36Å; L292-I393 HydrophobicContact CD1-CD1 3.61Å; L292-I393 HydrophobicContact CD1-CG1 3.3Å; L292-I393 HydrophobicContact CD2-CG1 4.26Å; L292-I393 HydrophobicContact CG-CG1 4.2Å; L292-F396 HydrophobicContact CD2-CD2 3.68Å; L292-F396 HydrophobicContact CD2-CE2 3.95Å
293N80.7Confident82.5Confident34 Ų3450.1 Ų50.118%0.18227%0.273CS..Hα-helixtrans-62.8-35.4177.1-75.8-54.4000112.3H276 L289 A290 G295 F296 L297 R400H276-N293 PolarHBondContact CE1-ND2 3.02Å; H276-N293 VanDerWaalsContact CE1-ND2 3.3Å; H276-N293 PolarHBondContact NE2-ND2 2.93Å; L289-N293 PolarHBondContact O-N 2.69Å; L289-N293 VanDerWaalsContact O-N 3.08Å; L289-N293 PolarHBondContact O-ND2 3.43Å; A290-N293 PolarHBondContact O-N 3.14Å; N293-G295 VanDerWaalsContact C-N 3.29Å; N293-G295 PolarHBondContact O-N 3.39Å; N293-F296 PolarHBondContact O-N 3.4Å; N293-F296 VanDerWaalsContact O-N 3.14Å; N293-L297 PolarHBondContact O-N 2.91Å; N293-R400 PolarHBondContact OD1-NH2 2.89Å
294L81.8Confident83.1Confident39 Ų3949.7 Ų49.720%0.20427%0.269CS..Hα-helixtrans-60-41.4173.6-169.570.8000111.2F136 I137 A290 L291 L292 F296 L297F136-L294 HydrophobicContact CD1-CD1 4.07Å; I137-L294 HydrophobicContact CG1-CD1 3.69Å; I137-L294 HydrophobicContact CG1-CG 4.26Å; A290-L294 PolarHBondContact O-N 3.09Å; L291-L294 WeakPolarHBondContact O-CB 3.37Å; L291-L294 PolarHBondContact O-N 2.95Å; L292-L294 VanDerWaalsContact C-N 3.28Å; L292-L294 PolarHBondContact O-N 3.11Å; L294-F296 PolarHBondContact O-N 3.06Å; L294-L297 HydrophobicContact CD1-CD1 3.89Å; L294-L297 PolarHBondContact O-N 2.87Å
295G83.2Confident83.4Confident49 Ų4954 Ų5451%0.50529%0.291SS..Hα-helixtrans-63.4-22.9176.200000114.4L291 L292 N293 P298L291-G295 PolarHBondContact O-N 2.88Å; L291-G295 VanDerWaalsContact O-N 3.1Å; L292-G295 PolarHBondContact O-N 2.97Å; L292-G295 VanDerWaalsContact O-N 3.11Å; N293-G295 VanDerWaalsContact C-N 3.29Å; N293-G295 PolarHBondContact O-N 3.39Å; G295-P298 WeakPolarHBondContact O-CD 3.38Å
296F87.6Confident83.8Confident9 Ų958.7 Ų58.74%0.03931%0.314CS..Hα-helixtrans-85.1-17.5177.3-62.8-45.7000114.1L292 N293 L294 I299 D300 I393 F396 L397L292-F296 HydrophobicContact CD1-CZ 4.5Å; L292-F296 HydrophobicContact CD2-CE2 4.07Å; L292-F296 HydrophobicContact CD2-CZ 4.36Å; L292-F296 HydrophobicContact CG-CE2 3.78Å; L292-F296 HydrophobicContact CG-CZ 4.04Å; L292-F296 WeakPolarHBondContact O-CD2 3.15Å; L292-F296 PolarHBondContact O-N 3.45Å; N293-F296 PolarHBondContact O-N 3.4Å; N293-F296 VanDerWaalsContact O-N 3.14Å; L294-F296 PolarHBondContact O-N 3.06Å; F296-I299 HydrophobicContact CD1-CD1 4.26Å; F296-I299 WeakPolarHBondContact O-CA 3.16Å; F296-I299 WeakPolarHBondContact O-CB 3.44Å; F296-I299 PolarHBondContact O-N 2.99Å; F296-D300 PolarHBondContact O-N 2.98Å; F296-I393 HydrophobicContact CE1-CG2 4.03Å; F296-I393 HydrophobicContact CZ-CB 4.39Å; F296-I393 HydrophobicContact CZ-CG1 4.28Å; F296-I393 HydrophobicContact CZ-CG2 4.13Å; F296-F396 HydrophobicContact CE2-CB 3.78Å; F296-F396 HydrophobicContact CE2-CD2 4.4Å; F296-F396 HydrophobicContact CE2-CG 4.43Å; F296-F396 HydrophobicContact CZ-CB 3.96Å; F296-L397 HydrophobicContact CD1-CD2 3.75Å; F296-L397 HydrophobicContact CD1-CG 4.1Å; F296-L397 HydrophobicContact CE1-CD1 4.09Å; F296-L397 HydrophobicContact CE1-CD2 3.72Å; F296-L397 HydrophobicContact CE1-CG 3.54Å; F296-L397 HydrophobicContact CZ-CG 4.27Å
297L83.9Confident84.3Confident15 Ų1554.4 Ų54.48%0.07930%0.295CS..Hα-helixtrans-56.4-40.7-177.3-68.3-179.2000114A133 F136 I137 N293 L294 I299 D300A133-L297 HydrophobicContact CB-CB 4.13Å; F136-L297 HydrophobicContact CB-CD1 4.22Å; I137-L297 HydrophobicContact CD1-CB 4.34Å; I137-L297 HydrophobicContact CD1-CD1 4.44Å; I137-L297 HydrophobicContact CG1-CD1 4.26Å; N293-L297 PolarHBondContact O-N 2.91Å; L294-L297 HydrophobicContact CD1-CD1 3.89Å; L294-L297 PolarHBondContact O-N 2.87Å; L297-I299 VanDerWaalsContact C-N 3.26Å; L297-I299 PolarHBondContact O-N 3.42Å; L297-D300 PolarHBondContact O-N 3.25Å
298P84Confident84.7Confident51 Ų5146.9 Ų46.933%0.33126%0.26SS..Hα-helixtrans-63.1-34.8175.5-23.135000113.1G295 F301 I302G295-P298 WeakPolarHBondContact O-CD 3.38Å; P298-F301 VanDerWaalsContact CA-CE1 3.48Å; P298-F301 HydrophobicContact CB-CE1 4.11Å; P298-F301 WeakPolarHBondContact O-CD1 3.35Å; P298-F301 WeakPolarHBondContact O-CE1 3.36Å; P298-I302 WeakPolarHBondContact O-CG1 3.29Å; P298-I302 PolarHBondContact O-N 3.43Å
299I86.8Confident84.6Confident58 Ų5847.5 Ų47.530%0.29728%0.275SS..Hα-helixtrans-70.2-37.2-179.3-60.5176.3000110F296 L297 F301 I302 L303 L397F296-I299 HydrophobicContact CD1-CD1 4.26Å; F296-I299 WeakPolarHBondContact O-CA 3.16Å; F296-I299 WeakPolarHBondContact O-CB 3.44Å; F296-I299 PolarHBondContact O-N 2.99Å; L297-I299 VanDerWaalsContact C-N 3.26Å; L297-I299 PolarHBondContact O-N 3.42Å; I299-F301 PolarHBondContact O-N 3.08Å; I299-I302 PolarHBondContact O-N 2.78Å; I299-I302 VanDerWaalsContact O-N 3.17Å; I299-L303 HydrophobicContact CG2-CD1 3.48Å; I299-L303 VanDerWaalsContact CG2-CD1 3.48Å; I299-L303 HydrophobicContact CG2-CD2 4.3Å; I299-L303 HydrophobicContact CG2-CG 3.6Å; I299-L303 WeakPolarHBondContact O-CB 3.3Å; I299-L303 VanDerWaalsContact O-CG 3.3Å; I299-L303 WeakPolarHBondContact O-CG 3.39Å; I299-L303 PolarHBondContact O-N 3.32Å; I299-L397 HydrophobicContact CD1-CD2 3.71Å; I299-L397 HydrophobicContact CG2-CD2 4.1Å
300D85.2Confident84.6Confident21 Ų2151.8 Ų51.811%0.11229%0.293CS..Hα-helixtrans-63.1-20.4-179.2-82.1-12.6000114.4S129 F296 L297 P304 R400S129-D300 WeakPolarHBondContact CB-O 3.47Å; S129-D300 PolarHBondContact OG-O 3.44Å; F296-D300 PolarHBondContact O-N 2.98Å; L297-D300 PolarHBondContact O-N 3.25Å; D300-P304 VanDerWaalsContact O-CD 3.29Å; D300-P304 WeakPolarHBondContact O-CD 3.27Å; D300-P304 WeakPolarHBondContact O-CG 3.24Å; D300-R400 IonicContact OD2-NH1 3.66Å; D300-R400 PolarHBondContact OD2-NH1 3.3Å
301F85.1Confident84.6Confident56 Ų5649 Ų4925%0.24627%0.27CS..Hα-helixtrans-100.9-20.9173.380-102.9000113.8V126 L130 P298 I299V126-F301 HydrophobicContact CG1-CB 4.44Å; L130-F301 HydrophobicContact CB-CB 4.49Å; L130-F301 HydrophobicContact CD1-CD1 4.43Å; L130-F301 HydrophobicContact CD1-CE1 4.43Å; P298-F301 VanDerWaalsContact CA-CE1 3.48Å; P298-F301 HydrophobicContact CB-CE1 4.11Å; P298-F301 WeakPolarHBondContact O-CD1 3.35Å; P298-F301 WeakPolarHBondContact O-CE1 3.36Å; I299-F301 PolarHBondContact O-N 3.08Å
302I88.5Confident84.3Confident80 Ų8045 Ų4541%0.4125%0.251SS..Hα-helixtrans-78.9-44.9174.8-65.9169.7000110.7P298 I299 P304 L305 L306P298-I302 WeakPolarHBondContact O-CG1 3.29Å; P298-I302 PolarHBondContact O-N 3.43Å; I299-I302 PolarHBondContact O-N 2.78Å; I299-I302 VanDerWaalsContact O-N 3.17Å; I302-P304 VanDerWaalsContact C-CD 3.45Å; I302-L305 WeakPolarHBondContact O-CB 3.17Å; I302-L305 PolarHBondContact O-N 3.44Å; I302-L305 VanDerWaalsContact O-N 3.12Å; I302-L306 HydrophobicContact CG2-CD1 4Å; I302-L306 HydrophobicContact CG2-CG 4.28Å; I302-L306 PolarHBondContact O-N 2.96Å
303L89.1Confident84.1Confident15 Ų1545.1 Ų45.18%0.07926%0.258CS..Hα-helixtrans-55-43.3-175.8-74.5174.6000114.2I299 L305 L306 F307 I401 L404I299-L303 HydrophobicContact CG2-CD1 3.48Å; I299-L303 VanDerWaalsContact CG2-CD1 3.48Å; I299-L303 HydrophobicContact CG2-CD2 4.3Å; I299-L303 HydrophobicContact CG2-CG 3.6Å; I299-L303 WeakPolarHBondContact O-CB 3.3Å; I299-L303 VanDerWaalsContact O-CG 3.3Å; I299-L303 WeakPolarHBondContact O-CG 3.39Å; I299-L303 PolarHBondContact O-N 3.32Å; L303-L305 PolarHBondContact O-N 3.45Å; L303-L306 PolarHBondContact O-N 3.02Å; L303-L306 VanDerWaalsContact O-N 3.11Å; L303-F307 HydrophobicContact CD2-CD2 4.38Å; L303-F307 HydrophobicContact CD2-CE2 3.9Å; L303-F307 WeakPolarHBondContact O-CD2 3.37Å; L303-F307 PolarHBondContact O-N 3.36Å; L303-F307 VanDerWaalsContact O-N 3.13Å; L303-I401 HydrophobicContact CD1-CG1 3.65Å; L303-I401 HydrophobicContact CD2-CD1 4.33Å; L303-I401 HydrophobicContact CD2-CG1 3.91Å; L303-I401 HydrophobicContact CG-CG1 4.47Å; L303-L404 HydrophobicContact CB-CD2 3.31Å; L303-L404 HydrophobicContact CD1-CD2 4.28Å; L303-L404 HydrophobicContact CG-CD2 4.43Å
304P89.1Confident84Confident0 Ų048.8 Ų48.80%028%0.284CS..Hα-helixtrans-60.4-36.3-179.8-19.428.7000112.3T122 K125 V126 D300 I302 L306 F307 V308 L404 L408T122-P304 HydrophobicContact CG2-CB 4Å; K125-P304 HydrophobicContact CB-CG 4.43Å; K125-P304 HydrophobicContact CG-CB 4.4Å; K125-P304 HydrophobicContact CG-CG 3.84Å; V126-P304 HydrophobicContact CG2-CB 3.71Å; V126-P304 HydrophobicContact CG2-CG 4Å; D300-P304 VanDerWaalsContact O-CD 3.29Å; D300-P304 WeakPolarHBondContact O-CD 3.27Å; D300-P304 WeakPolarHBondContact O-CG 3.24Å; I302-P304 VanDerWaalsContact C-CD 3.45Å; P304-L306 VanDerWaalsContact C-N 3.31Å; P304-L306 PolarHBondContact O-N 2.86Å; P304-F307 PolarHBondContact O-N 3.27Å; P304-V308 WeakPolarHBondContact O-CB 3.44Å; P304-V308 PolarHBondContact O-N 3.12Å; P304-L404 HydrophobicContact CB-CD1 4.34Å; P304-L404 HydrophobicContact CB-CD2 4.44Å; P304-L404 HydrophobicContact CG-CD1 3.85Å; P304-L404 HydrophobicContact CG-CD2 3.95Å; P304-L408 HydrophobicContact CB-CD1 4.16Å
305L89.1Confident84.3Confident95 Ų9553 Ų5350%0.49730%0.301SS..Hα-helixtrans-67.5-31.7178.3-61.4174.4000112.3T122 V126 I302 L303 V308T122-L305 HydrophobicContact CG2-CD2 4.25Å; V126-L305 HydrophobicContact CG2-CD2 3.82Å; V126-L305 HydrophobicContact CG2-CG 3.86Å; I302-L305 WeakPolarHBondContact O-CB 3.17Å; I302-L305 PolarHBondContact O-N 3.44Å; I302-L305 VanDerWaalsContact O-N 3.12Å; L303-L305 PolarHBondContact O-N 3.45Å; L305-V308 VanDerWaalsContact O-CG1 3.29Å; L305-V308 WeakPolarHBondContact O-CG1 3.43Å
306L88.8Confident84.4Confident114 Ų11450.9 Ų50.960%0.59728%0.278SS*.Hα-helixtrans-75-37.8177.9-63.6177.3000112.2I302 L303 P304I302-L306 HydrophobicContact CG2-CD1 4Å; I302-L306 HydrophobicContact CG2-CG 4.28Å; I302-L306 PolarHBondContact O-N 2.96Å; L303-L306 PolarHBondContact O-N 3.02Å; L303-L306 VanDerWaalsContact O-N 3.11Å; P304-L306 VanDerWaalsContact C-N 3.31Å; P304-L306 PolarHBondContact O-N 2.86Å
307F86Confident84.5Confident57 Ų5750.6 Ų50.625%0.2528%0.277CS..Hα-helixtrans-95.9-4.2-174.5-72.5-74.6000114.5L303 P304 S309 F310 T311 I401 I405L303-F307 HydrophobicContact CD2-CD2 4.38Å; L303-F307 HydrophobicContact CD2-CE2 3.9Å; L303-F307 WeakPolarHBondContact O-CD2 3.37Å; L303-F307 PolarHBondContact O-N 3.36Å; L303-F307 VanDerWaalsContact O-N 3.13Å; P304-F307 PolarHBondContact O-N 3.27Å; F307-S309 PolarHBondContact O-N 3.16Å; F307-F310 PolarHBondContact O-N 3Å; F307-T311 VanDerWaalsContact O-CG2 3.3Å; F307-T311 WeakPolarHBondContact O-CG2 3.29Å; F307-T311 PolarHBondContact O-N 2.92Å; F307-T311 PolarHBondContact O-OG1 3.15Å; F307-I401 HydrophobicContact CE2-CG2 4Å; F307-I401 HydrophobicContact CZ-CG2 4.04Å; F307-I405 HydrophobicContact CB-CG1 4.28Å; F307-I405 HydrophobicContact CD1-CD1 3.76Å; F307-I405 HydrophobicContact CD1-CG1 4.19Å; F307-I405 HydrophobicContact CE1-CD1 3.89Å; F307-I405 HydrophobicContact CG-CD1 4.1Å; F307-I405 HydrophobicContact CG-CG1 4.08Å; F307-I405 HydrophobicContact CZ-CD1 4.34Å
308V83.1Confident84.8Confident3 Ų350.3 Ų50.32%0.01828%0.276CS..Hα-helixtrans-56.9-45.1-178.864.60000113.1W119 T122 P304 L305 F310 T311 T312W119-V308 HydrophobicContact CD2-CG2 3.61Å; W119-V308 HydrophobicContact CE3-CB 4.34Å; W119-V308 HydrophobicContact CE3-CG1 4.09Å; W119-V308 HydrophobicContact CE3-CG2 3.54Å; W119-V308 HydrophobicContact CG-CG2 4.26Å; W119-V308 HydrophobicContact CH2-CB 4.24Å; W119-V308 HydrophobicContact CH2-CG1 3.23Å; W119-V308 HydrophobicContact CH2-CG2 4Å; W119-V308 HydrophobicContact CZ2-CG1 3.86Å; W119-V308 HydrophobicContact CZ2-CG2 4.06Å; W119-V308 HydrophobicContact CZ3-CB 4.08Å; W119-V308 HydrophobicContact CZ3-CG1 3.36Å; W119-V308 HydrophobicContact CZ3-CG2 3.75Å; T122-V308 HydrophobicContact CG2-CB 3.94Å; T122-V308 HydrophobicContact CG2-CG2 3.96Å; T122-V308 WeakPolarHBondContact OG1-CG2 3.41Å; P304-V308 WeakPolarHBondContact O-CB 3.44Å; P304-V308 PolarHBondContact O-N 3.12Å; L305-V308 VanDerWaalsContact O-CG1 3.29Å; L305-V308 WeakPolarHBondContact O-CG1 3.43Å; V308-F310 PolarHBondContact O-N 2.93Å; V308-F310 VanDerWaalsContact O-N 3.15Å; V308-T311 VanDerWaalsContact CA-OG1 3.3Å; V308-T311 WeakPolarHBondContact CA-OG1 3.3Å; V308-T311 PolarHBondContact O-N 3.05Å; V308-T311 PolarHBondContact O-OG1 3.17Å; V308-T312 HydrophobicContact CG2-CG2 3.61Å; V308-T312 WeakPolarHBondContact O-CG2 3.3Å; V308-T312 PolarHBondContact O-N 2.89Å; V308-T312 PolarHBondContact O-OG1 3.38Å; V308-T312 VanDerWaalsContact O-OG1 3.1Å
309S80.6Confident84.8Confident92 Ų9249.3 Ų49.364%0.64327%0.269SS*.Hα-helixtrans-58.9-33.6-179.257.70000112.3F307F307-S309 PolarHBondContact O-N 3.16Å
310F80.4Confident84.6Confident91 Ų9146.7 Ų46.740%0.39926%0.257SS..Hα-helixtrans-80.5-26.3176.8-173-95.7000112.9F307 V308 T319 F323F307-F310 PolarHBondContact O-N 3Å; V308-F310 PolarHBondContact O-N 2.93Å; V308-F310 VanDerWaalsContact O-N 3.15Å; F310-T319 HydrophobicContact CD1-CG2 4.03Å; F310-T319 HydrophobicContact CE1-CG2 3.3Å; F310-T319 HydrophobicContact CE2-CG2 4.16Å; F310-T319 HydrophobicContact CZ-CG2 3.39Å; F310-F323 HydrophobicContact CD1-CE2 4.11Å; F310-F323 AromaticContact CE1-CD2 3.8Å; F310-F323 HydrophobicContact CE1-CD2 3.8Å; F310-F323 AromaticContact CE1-CE2 3.14Å; F310-F323 HydrophobicContact CE1-CE2 3.14Å; F310-F323 AromaticContact CE1-CZ 3.89Å; F310-F323 HydrophobicContact CE1-CZ 3.89Å; F310-F323 HydrophobicContact CZ-CD2 4.4Å; F310-F323 AromaticContact CZ-CE2 3.51Å; F310-F323 HydrophobicContact CZ-CE2 3.51Å; F310-F323 HydrophobicContact CZ-CZ 4.24Å
311T79Confident84.6Confident0 Ų045.9 Ų45.90%025%0.252CS..Hα-helixtrans-96.8-18.3-172.956.40000115F307 V308 I405 L408 Q409F307-T311 VanDerWaalsContact O-CG2 3.3Å; F307-T311 WeakPolarHBondContact O-CG2 3.29Å; F307-T311 PolarHBondContact O-N 2.92Å; F307-T311 PolarHBondContact O-OG1 3.15Å; V308-T311 VanDerWaalsContact CA-OG1 3.3Å; V308-T311 WeakPolarHBondContact CA-OG1 3.3Å; V308-T311 PolarHBondContact O-N 3.05Å; V308-T311 PolarHBondContact O-OG1 3.17Å; T311-I405 HydrophobicContact CG2-CG2 4.04Å; T311-L408 HydrophobicContact CG2-CB 4.22Å; T311-L408 HydrophobicContact CG2-CD1 4.46Å; T311-Q409 VanDerWaalsContact CA-NE2 3.31Å; T311-Q409 HydrophobicContact CG2-CG 3.88Å; T311-Q409 PolarHBondContact O-OE1 3.22Å
312T75Confident84.7Confident39 Ų3949 Ų4924%0.23927%0.266CS..SBendtrans-99.317.8-17962.60000113.9G118 V308G118-T312 WeakPolarHBondContact O-CG2 3.34Å; V308-T312 HydrophobicContact CG2-CG2 3.61Å; V308-T312 WeakPolarHBondContact O-CG2 3.3Å; V308-T312 PolarHBondContact O-N 2.89Å; V308-T312 PolarHBondContact O-OG1 3.38Å; V308-T312 VanDerWaalsContact O-OG1 3.1Å
313G78.4Confident84.6Confident29 Ų2947.8 Ų47.830%0.29926%0.258SS..SBendtrans-65.8177-179.500000114.2K315G313-K315 PolarHBondContact O-N 3.18Å; G313-K315 VanDerWaalsContact O-N 3.16Å
314P79.7Confident84.4Confident111 Ų11147.3 Ų47.372%0.72126%0.255SS*.SBendtrans-63.7-24.2-177.325.4-34.4000113.6P316 K416P314-P316 WeakPolarHBondContact O-CD 3.45Å; P314-K416 PolarHBondContact O-NZ 3.05Å
315K86.9Confident84.4Confident128 Ų12850.3 Ų50.356%0.55727%0.271SS*.  trans-123.569.2-176.5-66.6-178.4-176.3170.60111G313 T318 T319 E536G313-K315 PolarHBondContact O-N 3.18Å; G313-K315 VanDerWaalsContact O-N 3.16Å; K315-T318 WeakPolarHBondContact CB-OG1 3.21Å; K315-T319 WeakPolarHBondContact O-CB 3.45Å; K315-T319 PolarHBondContact O-N 3.42Å; K315-T319 PolarHBondContact O-OG1 3.43Å; K315-E536 WeakPolarHBondContact CA-OE1 3.39Å; K315-E536 WeakPolarHBondContact CB-OE2 3.44Å
316P87.1Confident84.3Confident4 Ų447.6 Ų47.63%0.02626%0.258CS..Hα-helixtrans-67.6-39-173.327.5-33.7000112.1P314 G320 Q409 A412 F413 E536P314-P316 WeakPolarHBondContact O-CD 3.45Å; P316-G320 PolarHBondContact O-N 3.16Å; P316-Q409 VanDerWaalsContact CB-OE1 3.29Å; P316-Q409 PolarHBondContact O-OE1 2.91Å; P316-A412 HydrophobicContact CB-CB 4.21Å; P316-F413 HydrophobicContact CG-CB 4.13Å; P316-F413 HydrophobicContact CG-CD2 4.09Å; P316-E536 VanDerWaalsContact N-OE1 3.16Å
317L88.8Confident84.2Confident3 Ų343 Ų432%0.01623%0.233CC..Hα-helixtrans-68.5-48.6-175-163.264.3000111.4Y257 G320 L321 F410 F413 A532 L535 E536Y257-L317 HydrophobicContact CD2-CD1 4.37Å; Y257-L317 HydrophobicContact CD2-CD2 4.35Å; Y257-L317 HydrophobicContact CE2-CD1 3.82Å; L317-G320 PolarHBondContact O-N 3.4Å; L317-L321 HydrophobicContact CG-CD1 4.14Å; L317-L321 VanDerWaalsContact O-CB 3.29Å; L317-L321 WeakPolarHBondContact O-CB 3.47Å; L317-L321 PolarHBondContact O-N 2.84Å; L317-F410 HydrophobicContact CD1-CD1 3.85Å; L317-F410 HydrophobicContact CD1-CE1 3.67Å; L317-F410 HydrophobicContact CD1-CZ 4.5Å; L317-F413 HydrophobicContact CB-CD2 4.13Å; L317-F413 HydrophobicContact CB-CG 4.39Å; L317-F413 HydrophobicContact CD2-CE1 4.39Å; L317-F413 HydrophobicContact CD2-CE2 4.48Å; L317-F413 HydrophobicContact CD2-CZ 4.37Å; L317-A532 HydrophobicContact CB-CB 4.34Å; L317-A532 HydrophobicContact CD2-CB 3.58Å; L317-A532 HydrophobicContact CG-CB 3.67Å; L317-L535 HydrophobicContact CD2-CB 4.31Å; L317-L535 HydrophobicContact CD2-CD1 4.09Å; L317-E536 WeakPolarHBondContact CA-OE1 3.37Å; L317-E536 HydrophobicContact CB-CG 3.95Å; L317-E536 VanDerWaalsContact CB-OE1 3.32Å; L317-E536 WeakPolarHBondContact CB-OE1 2.98Å; L317-E536 PolarHBondContact N-OE1 2.97Å
318T89.1Confident84.1Confident10 Ų1040.4 Ų40.46%0.06122%0.222CC..Hα-helixtrans-70.3-33.6179.252.60000112.5K315 K322 Y529 A532 K533 E536K315-T318 WeakPolarHBondContact CB-OG1 3.21Å; T318-K322 PolarHBondContact O-N 2.74Å; T318-Y529 HydrophobicContact CG2-CE2 4.43Å; T318-A532 HydrophobicContact CG2-CB 4.01Å; T318-K533 HydrophobicContact CG2-CB 4.41Å; T318-K533 HydrophobicContact CG2-CG 3.77Å; T318-E536 WeakPolarHBondContact CB-OE2 3.38Å; T318-E536 WeakPolarHBondContact CG2-OE2 3.14Å; T318-E536 PolarHBondContact N-OE1 3.04Å; T318-E536 PolarHBondContact OG1-OE1 3.33Å; T318-E536 PolarHBondContact OG1-OE2 3.14Å
319T85.6Confident83.8Confident29 Ų2944.4 Ų44.418%0.17824%0.243CC..Hα-helixtrans-68-44.1175-56.50000111.2F310 K315 K322F310-T319 HydrophobicContact CD1-CG2 4.03Å; F310-T319 HydrophobicContact CE1-CG2 3.3Å; F310-T319 HydrophobicContact CE2-CG2 4.16Å; F310-T319 HydrophobicContact CZ-CG2 3.39Å; K315-T319 WeakPolarHBondContact O-CB 3.45Å; K315-T319 PolarHBondContact O-N 3.42Å; K315-T319 PolarHBondContact O-OG1 3.43Å; T319-K322 WeakPolarHBondContact O-CB 3.48Å; T319-K322 PolarHBondContact O-N 2.7Å
320G81.2Confident83.9Confident4 Ų440.1 Ų40.14%0.04121%0.213CC..Hα-helixtrans-66.1-38.5175.800000113.3P316 L317 K322 F323 Y324P316-G320 PolarHBondContact O-N 3.16Å; L317-G320 PolarHBondContact O-N 3.4Å; G320-K322 PolarHBondContact O-N 3.13Å; G320-F323 WeakPolarHBondContact O-CA 3.33Å; G320-F323 WeakPolarHBondContact O-CB 3.22Å; G320-F323 PolarHBondContact O-N 2.88Å; G320-Y324 PolarHBondContact O-N 2.83Å
321L86.3Confident83.7Confident3 Ų335.9 Ų35.92%0.01619%0.194CC..Hα-helixtrans-63.9-26.8175.3-92.8154.3000112.8L317 F323 Y324 F524 F528 A532L317-L321 HydrophobicContact CG-CD1 4.14Å; L317-L321 VanDerWaalsContact O-CB 3.29Å; L317-L321 WeakPolarHBondContact O-CB 3.47Å; L317-L321 PolarHBondContact O-N 2.84Å; L321-F323 PolarHBondContact O-N 3.12Å; L321-Y324 HydrophobicContact CD2-CG 4.23Å; L321-Y324 WeakPolarHBondContact O-CB 3.49Å; L321-Y324 PolarHBondContact O-N 3.21Å; L321-F524 HydrophobicContact CB-CE2 4.17Å; L321-F524 HydrophobicContact CD2-CD2 4.02Å; L321-F524 HydrophobicContact CD2-CE2 4Å; L321-F524 WeakPolarHBondContact O-CE2 3Å; L321-F528 HydrophobicContact CD1-CB 4.4Å; L321-F528 HydrophobicContact CD2-CB 3.55Å; L321-F528 HydrophobicContact CD2-CD2 4.35Å; L321-F528 HydrophobicContact CD2-CG 4.26Å; L321-A532 HydrophobicContact CD1-CB 3.29Å
322K86.1Confident83.8Confident123 Ų12337.6 Ų37.654%0.53521%0.206SC..Hα-helixtrans-61.3-30.2169.7-68.8174.9-178-178.50112.5T318 T319 G320 Y324 P326T318-K322 PolarHBondContact O-N 2.74Å; T319-K322 WeakPolarHBondContact O-CB 3.48Å; T319-K322 PolarHBondContact O-N 2.7Å; G320-K322 PolarHBondContact O-N 3.13Å; K322-Y324 VanDerWaalsContact C-N 3.35Å; K322-P326 WeakPolarHBondContact O-CD 3.19Å
323F87.6Confident84.3Confident54 Ų5439.8 Ų39.824%0.23721%0.214CC..Hα-helixtrans-83.7-10.6175-79.1-98.7000113.6F310 G320 L321 L325 P326 R327 I405 V406F310-F323 HydrophobicContact CD1-CE2 4.11Å; F310-F323 AromaticContact CE1-CD2 3.8Å; F310-F323 HydrophobicContact CE1-CD2 3.8Å; F310-F323 AromaticContact CE1-CE2 3.14Å; F310-F323 HydrophobicContact CE1-CE2 3.14Å; F310-F323 AromaticContact CE1-CZ 3.89Å; F310-F323 HydrophobicContact CE1-CZ 3.89Å; F310-F323 HydrophobicContact CZ-CD2 4.4Å; F310-F323 AromaticContact CZ-CE2 3.51Å; F310-F323 HydrophobicContact CZ-CE2 3.51Å; F310-F323 HydrophobicContact CZ-CZ 4.24Å; G320-F323 WeakPolarHBondContact O-CA 3.33Å; G320-F323 WeakPolarHBondContact O-CB 3.22Å; G320-F323 PolarHBondContact O-N 2.88Å; L321-F323 PolarHBondContact O-N 3.12Å; F323-L325 VanDerWaalsContact C-N 3.28Å; F323-L325 PolarHBondContact O-N 2.89Å; F323-P326 WeakPolarHBondContact O-CD 3.29Å; F323-R327 WeakPolarHBondContact O-CB 3.24Å; F323-R327 PolarHBondContact O-N 3.45Å; F323-I405 HydrophobicContact CB-CB 4.38Å; F323-I405 HydrophobicContact CB-CG2 3.78Å; F323-I405 HydrophobicContact CD1-CB 4.29Å; F323-I405 HydrophobicContact CD1-CD1 3.47Å; F323-I405 VanDerWaalsContact CD1-CD1 3.47Å; F323-I405 HydrophobicContact CD1-CG1 4.48Å; F323-I405 HydrophobicContact CD1-CG2 3.98Å; F323-I405 HydrophobicContact CD2-CG2 3.9Å; F323-I405 HydrophobicContact CE1-CD1 3.42Å; F323-I405 VanDerWaalsContact CE1-CD1 3.42Å; F323-I405 HydrophobicContact CG-CB 4.3Å; F323-I405 HydrophobicContact CG-CD1 4.2Å; F323-I405 HydrophobicContact CG-CG2 3.58Å; F323-I405 HydrophobicContact CZ-CD1 4.16Å; F323-V406 HydrophobicContact CB-CG2 4.36Å
324Y85.4Confident84.7Confident4 Ų438.4 Ų38.42%0.01620%0.2CC..Hα-helixtrans-61.7-37.9170.5-174.6-95.1000111.7G264 C267 T268 G320 L321 K322 R327 L328 F524 F528G264-Y324 WeakPolarHBondContact O-CE2 3.41Å; G264-Y324 PolarHBondContact O-OH 3.43Å; C267-Y324 WeakPolarHBondContact CB-OH 3.42Å; T268-Y324 HydrophobicContact CG2-CD2 4.12Å; T268-Y324 HydrophobicContact CG2-CE2 3.43Å; T268-Y324 VanDerWaalsContact CG2-CE2 3.43Å; G320-Y324 PolarHBondContact O-N 2.83Å; L321-Y324 HydrophobicContact CD2-CG 4.23Å; L321-Y324 WeakPolarHBondContact O-CB 3.49Å; L321-Y324 PolarHBondContact O-N 3.21Å; K322-Y324 VanDerWaalsContact C-N 3.35Å; Y324-R327 CarbonylContact O-C 3.59Å; Y324-R327 WeakPolarHBondContact O-CB 3.28Å; Y324-R327 PolarHBondContact O-N 3.44Å; Y324-L328 PolarHBondContact O-N 3.38Å; Y324-F524 HydrophobicContact CD1-CB 4.4Å; Y324-F524 AromaticContact CD1-CD2 3.78Å; Y324-F524 HydrophobicContact CD1-CD2 3.78Å; Y324-F524 HydrophobicContact CD1-CG 4.4Å; Y324-F524 HydrophobicContact CE1-CB 4.46Å; Y324-F524 HydrophobicContact CG-CD2 4.48Å; Y324-F528 HydrophobicContact CD1-CD2 4.33Å; Y324-F528 AromaticContact CE1-CD2 3.9Å; Y324-F528 HydrophobicContact CE1-CD2 3.9Å; Y324-F528 AromaticContact CE1-CE2 3.75Å; Y324-F528 HydrophobicContact CE1-CE2 3.75Å; Y324-F528 HydrophobicContact CE2-CE2 4.33Å; Y324-F528 AromaticContact CZ-CE2 3.6Å; Y324-F528 WeakPolarHBondContact OH-CE2 3.44Å
325L87.1Confident85Confident64 Ų6435.3 Ų35.334%0.33518%0.177SC..Hα-helixtrans-66.8-50.4179-17868.3000112.4F323 R327 L328 L329 L521F323-L325 VanDerWaalsContact C-N 3.28Å; F323-L325 PolarHBondContact O-N 2.89Å; L325-R327 PolarHBondContact O-N 3.06Å; L325-L328 WeakPolarHBondContact O-CB 3.24Å; L325-L328 PolarHBondContact O-N 3.41Å; L325-L329 WeakPolarHBondContact O-CG 3.17Å; L325-L329 PolarHBondContact O-N 3.1Å; L325-L521 HydrophobicContact CD1-CD2 3.31Å
326P87.8Confident85.1Confident37 Ų3732.1 Ų32.124%0.2417%0.169CC..Hα-helixtrans-51.6-37.2166.9-29.934.6000114.1K322 F323 L329 S330 F398 T402K322-P326 WeakPolarHBondContact O-CD 3.19Å; F323-P326 WeakPolarHBondContact O-CD 3.29Å; P326-L329 CarbonylContact O-C 3.39Å; P326-L329 WeakPolarHBondContact O-CB 3.37Å; P326-L329 PolarHBondContact O-N 2.77Å; P326-S330 PolarHBondContact O-N 2.96Å; P326-F398 HydrophobicContact CB-CZ 4.12Å; P326-F398 WeakPolarHBondContact O-CE1 3.46Å; P326-T402 HydrophobicContact CB-CG2 3.79Å
327R87Confident85.1Confident17 Ų1732.7 Ų32.76%0.06417%0.172CC..Hα-helixtrans-69.2-35.6175.8-171.4169.1-178.1170.72.9113.1T268 F323 Y324 L325 L329 S330 N331 A403T268-R327 HydrophobicContact CG2-CG 4.01Å; F323-R327 WeakPolarHBondContact O-CB 3.24Å; F323-R327 PolarHBondContact O-N 3.45Å; Y324-R327 CarbonylContact O-C 3.59Å; Y324-R327 WeakPolarHBondContact O-CB 3.28Å; Y324-R327 PolarHBondContact O-N 3.44Å; L325-R327 PolarHBondContact O-N 3.06Å; R327-L329 PolarHBondContact O-N 2.83Å; R327-S330 PolarHBondContact O-N 3.37Å; R327-S330 PolarHBondContact O-OG 3.45Å; R327-N331 PolarHBondContact O-ND2 2.77Å; R327-A403 VanDerWaalsContact CZ-CB 3.43Å; R327-A403 VanDerWaalsContact NH1-CA 3.3Å
328L83.3Confident85.1Confident3 Ų332.8 Ų32.82%0.01617%0.172CC..Hα-helixtrans-66.1-35.1172.6-160.367.9000110.6T268 Y324 L325 I517 L521T268-L328 HydrophobicContact CG2-CD1 4.44Å; Y324-L328 PolarHBondContact O-N 3.38Å; L325-L328 WeakPolarHBondContact O-CB 3.24Å; L325-L328 PolarHBondContact O-N 3.41Å; L328-I517 HydrophobicContact CD1-CG1 4.5Å; L328-I517 HydrophobicContact CD2-CG2 4.22Å; L328-I517 WeakPolarHBondContact CD2-O 3.37Å; L328-I517 HydrophobicContact CG-CB 4.44Å; L328-I517 HydrophobicContact CG-CG1 4.28Å; L328-I517 HydrophobicContact CG-CG2 4.28Å; L328-L521 HydrophobicContact CD2-CB 4.49Å; L328-L521 HydrophobicContact CD2-CD2 3.72Å; L328-L521 HydrophobicContact CD2-CG 3.66Å
329L77.9Confident85.1Confident88 Ų8837.7 Ų37.746%0.46120%0.195SC..Hα-helixtrans-72.9-31176.1-66.6170.8000113.8L325 P326 R327 N331 C332 M333L325-L329 WeakPolarHBondContact O-CG 3.17Å; L325-L329 PolarHBondContact O-N 3.1Å; P326-L329 CarbonylContact O-C 3.39Å; P326-L329 WeakPolarHBondContact O-CB 3.37Å; P326-L329 PolarHBondContact O-N 2.77Å; R327-L329 PolarHBondContact O-N 2.83Å; L329-N331 PolarHBondContact O-N 3.34Å; L329-C332 WeakPolarHBondContact O-CA 3.37Å; L329-C332 VanDerWaalsContact O-CB 3.23Å; L329-C332 WeakPolarHBondContact O-CB 3.32Å; L329-C332 PolarHBondContact O-N 2.87Å; L329-M333 PolarHBondContact O-N 2.99Å
330S81.7Confident85.3Confident1 Ų141 Ų411%0.00721%0.206CC..Hα-helixtrans-58.6-38.3175.467.30000110.9P326 R327 C332 M333 F334 D399P326-S330 PolarHBondContact O-N 2.96Å; R327-S330 PolarHBondContact O-N 3.37Å; R327-S330 PolarHBondContact O-OG 3.45Å; S330-C332 VanDerWaalsContact C-N 3.32Å; S330-C332 PolarHBondContact O-N 3.07Å; S330-M333 WeakPolarHBondContact O-CB 3.46Å; S330-M333 PolarHBondContact O-N 3.35Å; S330-M333 VanDerWaalsContact O-N 3.13Å; S330-F334 WeakPolarHBondContact O-CD2 3.37Å; S330-D399 PolarHBondContact OG-OD1 2.87Å
331N77.6Confident85.6Confident2 Ų240.8 Ų40.81%0.01120%0.204CC..Hα-helixtrans-63.7-36.4174.6-68.1-41.3000112.8T268 T271 R327 L329 M333 F334T268-N331 PolarHBondContact O-ND2 3.01Å; T271-N331 WeakPolarHBondContact CB-OD1 3.49Å; T271-N331 HydrophobicContact CG2-CB 4.26Å; T271-N331 PolarHBondContact OG1-ND2 3.27Å; T271-N331 VanDerWaalsContact OG1-ND2 3.12Å; T271-N331 PolarHBondContact OG1-OD1 3.37Å; R327-N331 PolarHBondContact O-ND2 2.77Å; L329-N331 PolarHBondContact O-N 3.34Å; N331-M333 VanDerWaalsContact C-N 3.26Å; N331-M333 PolarHBondContact O-N 3.44Å; N331-F334 PolarHBondContact O-N 3.11Å
332C80.3Confident85.5Confident37 Ų3743.3 Ų43.325%0.2522%0.221CC..Hα-helixtrans-61.1-36.5173.6-53.50000111.9L329 S330 F334 I335 P336 I517L329-C332 WeakPolarHBondContact O-CA 3.37Å; L329-C332 VanDerWaalsContact O-CB 3.23Å; L329-C332 WeakPolarHBondContact O-CB 3.32Å; L329-C332 PolarHBondContact O-N 2.87Å; S330-C332 VanDerWaalsContact C-N 3.32Å; S330-C332 PolarHBondContact O-N 3.07Å; C332-F334 PolarHBondContact O-N 3.03Å; C332-I335 WeakPolarHBondContact O-CB 3.47Å; C332-I335 PolarHBondContact O-N 3.36Å; C332-I335 VanDerWaalsContact O-N 3.16Å; C332-P336 WeakPolarHBondContact O-CD 3.23Å; C332-I517 HydrophobicContact CB-CD1 4.35Å; C332-I517 WeakPolarHBondContact SG-CD1 3.43Å
333M84.7Confident85.5Confident85 Ų8543 Ų4342%0.41923%0.225SC..Hα-helixtrans-62.2-29.4-177-63.6-178.7168.700112.2L329 S330 N331 I335 P336 I337 F398L329-M333 PolarHBondContact O-N 2.99Å; S330-M333 WeakPolarHBondContact O-CB 3.46Å; S330-M333 PolarHBondContact O-N 3.35Å; S330-M333 VanDerWaalsContact O-N 3.13Å; N331-M333 VanDerWaalsContact C-N 3.26Å; N331-M333 PolarHBondContact O-N 3.44Å; M333-I335 VanDerWaalsContact C-N 3.34Å; M333-I335 PolarHBondContact O-N 3.23Å; M333-P336 VanDerWaalsContact O-CD 3.27Å; M333-P336 WeakPolarHBondContact O-CD 3.35Å; M333-P336 WeakPolarHBondContact O-CG 3.38Å; M333-I337 WeakPolarHBondContact O-CD1 3.3Å; M333-I337 VanDerWaalsContact O-CG1 3.23Å; M333-I337 WeakPolarHBondContact O-CG1 3.31Å; M333-F398 HydrophobicContact CE-CD1 4.05Å; M333-F398 HydrophobicContact CE-CE1 3.93Å; M333-F398 HydrophobicContact CE-CZ 4.38Å; M333-F398 HydrophobicContact SD-CD1 3.74Å; M333-F398 HydrophobicContact SD-CE1 4.14Å; M333-F398 HydrophobicContact SD-CG 4.37Å
334F86.7Confident85.5Confident0 Ų042.3 Ų42.30%022%0.222CC..Hα-helixtrans-76.5-17.3179.7-68.3-69000114.2T275 S330 N331 C332 I337 L338 F396 D399T275-F334 HydrophobicContact CG2-CB 3.81Å; T275-F334 HydrophobicContact CG2-CD1 3.56Å; T275-F334 HydrophobicContact CG2-CD2 4.33Å; T275-F334 HydrophobicContact CG2-CE1 4.18Å; T275-F334 HydrophobicContact CG2-CG 3.64Å; S330-F334 WeakPolarHBondContact O-CD2 3.37Å; N331-F334 PolarHBondContact O-N 3.11Å; C332-F334 PolarHBondContact O-N 3.03Å; F334-I337 HydrophobicContact CD1-CD1 3.97Å; F334-I337 HydrophobicContact CE1-CD1 4.31Å; F334-L338 VanDerWaalsContact O-CB 3.27Å; F334-L338 WeakPolarHBondContact O-CB 3.47Å; F334-L338 VanDerWaalsContact O-CG 3.31Å; F334-L338 WeakPolarHBondContact O-CG 2.81Å; F334-L338 PolarHBondContact O-N 3.44Å; F334-F396 AromaticContact CE1-CD1 3.87Å; F334-F396 HydrophobicContact CE1-CD1 3.87Å; F334-F396 AromaticContact CE1-CE1 3.79Å; F334-F396 HydrophobicContact CE1-CE1 3.79Å; F334-F396 HydrophobicContact CE1-CG 4.42Å; F334-F396 HydrophobicContact CE1-CZ 4.31Å; F334-F396 AromaticContact CZ-CD1 3.52Å; F334-F396 HydrophobicContact CZ-CD1 3.52Å; F334-F396 AromaticContact CZ-CE1 3.76Å; F334-F396 HydrophobicContact CZ-CE1 3.76Å; F334-F396 HydrophobicContact CZ-CG 4.27Å; F334-D399 HydrophobicContact CE2-CB 4.2Å
335I87.6Confident85.5Confident45 Ų4545.2 Ų45.223%0.23123%0.233CC..Hα-helixtrans-59.6-60.2174.1-66.9175.8000111.2C332 M333 I337 L338 H339 Y510 V513C332-I335 WeakPolarHBondContact O-CB 3.47Å; C332-I335 PolarHBondContact O-N 3.36Å; C332-I335 VanDerWaalsContact O-N 3.16Å; M333-I335 VanDerWaalsContact C-N 3.34Å; M333-I335 PolarHBondContact O-N 3.23Å; I335-I337 VanDerWaalsContact C-N 3.31Å; I335-I337 PolarHBondContact O-N 3.45Å; I335-L338 PolarHBondContact O-N 3.15Å; I335-H339 WeakPolarHBondContact O-CB 3.49Å; I335-H339 PolarHBondContact O-N 2.79Å; I335-Y510 HydrophobicContact CB-CD1 4.36Å; I335-Y510 HydrophobicContact CG1-CD1 4.26Å; I335-Y510 HydrophobicContact CG2-CD1 3.78Å; I335-Y510 HydrophobicContact CG2-CE1 4.02Å; I335-V513 HydrophobicContact CD1-CB 4.2Å; I335-V513 HydrophobicContact CD1-CG1 3.69Å; I335-V513 HydrophobicContact CG1-CB 4.41Å; I335-V513 HydrophobicContact CG1-CG1 3.94Å
336P88Confident85.1Confident61 Ų6145.8 Ų45.840%0.39624%0.236SC..Hα-helixtrans-65.1-36.4178.925.5-33.8000111.5C332 M333 L338 H339 F340C332-P336 WeakPolarHBondContact O-CD 3.23Å; M333-P336 VanDerWaalsContact O-CD 3.27Å; M333-P336 WeakPolarHBondContact O-CD 3.35Å; M333-P336 WeakPolarHBondContact O-CG 3.38Å; P336-L338 VanDerWaalsContact C-N 3.35Å; P336-L338 PolarHBondContact O-N 3.05Å; P336-H339 PolarHBondContact O-N 2.75Å; P336-F340 HydrophobicContact CB-CD2 4.17Å; P336-F340 HydrophobicContact CB-CE2 4.22Å; P336-F340 WeakPolarHBondContact O-CB 3.28Å; P336-F340 WeakPolarHBondContact O-CD2 3.37Å; P336-F340 PolarHBondContact O-N 2.72Å
337I87.8Confident84.2Confident17 Ų1749.5 Ų49.59%0.08725%0.253CS..Hα-helixtrans-56.5-50.6177.2-66171.1000110.3M333 F334 I335 I341 F388 I391 L392M333-I337 WeakPolarHBondContact O-CD1 3.3Å; M333-I337 VanDerWaalsContact O-CG1 3.23Å; M333-I337 WeakPolarHBondContact O-CG1 3.31Å; F334-I337 HydrophobicContact CD1-CD1 3.97Å; F334-I337 HydrophobicContact CE1-CD1 4.31Å; I335-I337 VanDerWaalsContact C-N 3.31Å; I335-I337 PolarHBondContact O-N 3.45Å; I337-I341 WeakPolarHBondContact O-CG1 3.21Å; I337-I341 PolarHBondContact O-N 2.88Å; I337-F388 HydrophobicContact CG2-CE2 4.12Å; I337-I391 HydrophobicContact CD1-CG2 3.94Å; I337-I391 HydrophobicContact CG1-CG2 3.78Å; I337-L392 HydrophobicContact CG2-CD1 4.16Å
338L88.3Confident82.7Confident4 Ų450.5 Ų50.52%0.02126%0.262CS..Hα-helixtrans-66.9-41.6179.7-77.8169.8000112.8T275 K278 I279 F334 I335 P336 F340 I341 Y509 Y510T275-L338 HydrophobicContact CG2-CD1 4.17Å; K278-L338 HydrophobicContact CB-CD1 4.01Å; K278-L338 HydrophobicContact CB-CD2 3.72Å; I279-L338 HydrophobicContact CG1-CD2 3.71Å; F334-L338 VanDerWaalsContact O-CB 3.27Å; F334-L338 WeakPolarHBondContact O-CB 3.47Å; F334-L338 VanDerWaalsContact O-CG 3.31Å; F334-L338 WeakPolarHBondContact O-CG 2.81Å; F334-L338 PolarHBondContact O-N 3.44Å; I335-L338 PolarHBondContact O-N 3.15Å; P336-L338 VanDerWaalsContact C-N 3.35Å; P336-L338 PolarHBondContact O-N 3.05Å; L338-F340 VanDerWaalsContact C-N 3.32Å; L338-F340 PolarHBondContact O-N 3.05Å; L338-I341 HydrophobicContact CD2-CD1 3.75Å; L338-I341 PolarHBondContact O-N 2.73Å; L338-Y509 HydrophobicContact CD1-CD1 3.98Å; L338-Y509 HydrophobicContact CD1-CE1 3.21Å; L338-Y509 HydrophobicContact CD1-CE2 4.27Å; L338-Y509 WeakPolarHBondContact CD1-OH 3.47Å; L338-Y510 HydrophobicContact CB-CE1 4.39Å
339H88.4Confident81.1Confident114 Ų11456.4 Ų56.453%0.52829%0.293SS..Hα-helixtrans-63.2-39.7-179.1-174.876.3000111.8I335 P336 P342 Y510I335-H339 WeakPolarHBondContact O-CB 3.49Å; I335-H339 PolarHBondContact O-N 2.79Å; P336-H339 PolarHBondContact O-N 2.75Å; H339-P342 WeakPolarHBondContact O-CD 3.38Å; H339-Y510 WeakPolarHBondContact CA-OH 3.37Å; H339-Y510 HydrophobicContact CB-CE1 4.49Å; H339-Y510 PolarHBondContact N-OH 2.78Å
340F89.6Confident79.6Confident97 Ų9758.1 Ų58.143%0.42530%0.303SS..THydrogen-bonded Turntrans-91.71.6-177.7-65.6-62.2000114.7P336 L338 P342 N343 F344P336-F340 HydrophobicContact CB-CD2 4.17Å; P336-F340 HydrophobicContact CB-CE2 4.22Å; P336-F340 WeakPolarHBondContact O-CB 3.28Å; P336-F340 WeakPolarHBondContact O-CD2 3.37Å; P336-F340 PolarHBondContact O-N 2.72Å; L338-F340 VanDerWaalsContact C-N 3.32Å; L338-F340 PolarHBondContact O-N 3.05Å; F340-P342 VanDerWaalsContact C-N 3.31Å; F340-N343 WeakPolarHBondContact O-CB 3.21Å; F340-N343 PolarHBondContact O-N 3.03Å; F340-F344 HydrophobicContact CB-CE2 4.06Å; F340-F344 WeakPolarHBondContact O-CD2 3.49Å
341I87.7Confident77.8Confident0 Ų060.2 Ų60.20%032%0.316CS..G310 helixtrans-48.3-45.7176.3-66.2-170.1000113.1I279 Q282 I337 L338 N343 F344 F384 F388I279-I341 HydrophobicContact CG1-CD1 4.2Å; Q282-I341 HydrophobicContact CB-CB 4.44Å; Q282-I341 HydrophobicContact CB-CD1 4.21Å; Q282-I341 HydrophobicContact CB-CG2 3.85Å; Q282-I341 HydrophobicContact CG-CD1 4.31Å; I337-I341 WeakPolarHBondContact O-CG1 3.21Å; I337-I341 PolarHBondContact O-N 2.88Å; L338-I341 HydrophobicContact CD2-CD1 3.75Å; L338-I341 PolarHBondContact O-N 2.73Å; I341-N343 PolarHBondContact O-N 3.45Å; I341-N343 VanDerWaalsContact O-N 3.14Å; I341-F344 PolarHBondContact O-N 2.83Å; I341-F384 HydrophobicContact CG2-CD1 4.48Å; I341-F384 HydrophobicContact CG2-CE1 3.52Å; I341-F384 HydrophobicContact CG2-CZ 4.11Å; I341-F388 HydrophobicContact CD1-CE2 4.26Å; I341-F388 HydrophobicContact CD1-CZ 3.97Å; I341-F388 HydrophobicContact CG1-CE2 3.78Å; I341-F388 HydrophobicContact CG1-CZ 3.95Å
342P84.6Confident76Confident57 Ų5764.8 Ų64.837%0.3734%0.34SS..G310 helixtrans-56.4-31.9-178.7-26.636.8000113.5H339 F340 F344 R345H339-P342 WeakPolarHBondContact O-CD 3.38Å; F340-P342 VanDerWaalsContact C-N 3.31Å; P342-F344 PolarHBondContact O-N 3.46Å; P342-R345 WeakPolarHBondContact O-CB 3.36Å; P342-R345 PolarHBondContact O-N 3.28Å
343N87.4Confident73.8Confident115 Ų11569.6 Ų69.662%0.61536%0.36SS*.G310 helixtrans-71.2-19.9-178.6-63.5-5000113.1F340 I341F340-N343 WeakPolarHBondContact O-CB 3.21Å; F340-N343 PolarHBondContact O-N 3.03Å; I341-N343 PolarHBondContact O-N 3.45Å; I341-N343 VanDerWaalsContact O-N 3.14Å
344F87.1Confident71.7Confident41 Ų4172.3 Ų72.318%0.1837%0.37CS..G310 helixtrans-96.5-2179.8-62.6-73.9000113.4F340 I341 P342 I346 F384 Q385 I387 F388 I391F340-F344 HydrophobicContact CB-CE2 4.06Å; F340-F344 WeakPolarHBondContact O-CD2 3.49Å; I341-F344 PolarHBondContact O-N 2.83Å; P342-F344 PolarHBondContact O-N 3.46Å; F344-I346 PolarHBondContact O-N 3.32Å; F344-F384 HydrophobicContact CB-CD1 4.29Å; F344-F384 WeakPolarHBondContact O-CA 3.41Å; F344-Q385 PolarHBondContact O-N 3.35Å; F344-Q385 VanDerWaalsContact O-N 3.09Å; F344-I387 HydrophobicContact CD1-CG2 3.92Å; F344-I387 HydrophobicContact CE1-CG2 3.77Å; F344-F388 HydrophobicContact CB-CB 3.8Å; F344-F388 HydrophobicContact CB-CD2 4.21Å; F344-F388 HydrophobicContact CB-CG 4.08Å; F344-F388 HydrophobicContact CD1-CB 4.07Å; F344-F388 HydrophobicContact CD2-CB 4.38Å; F344-F388 AromaticContact CD2-CD2 3.76Å; F344-F388 HydrophobicContact CD2-CD2 3.76Å; F344-F388 HydrophobicContact CD2-CG 4.41Å; F344-F388 HydrophobicContact CE2-CD2 4.36Å; F344-F388 HydrophobicContact CG-CB 3.83Å; F344-F388 HydrophobicContact CG-CD2 4.05Å; F344-F388 HydrophobicContact CG-CG 4.24Å; F344-I391 HydrophobicContact CZ-CD1 4.3Å
345R84.4Confident69.5Low65 Ų6578.9 Ų78.925%0.24541%0.405CS..EExtended strand (participates in β ladder)trans-69.8127.3179.9-69.6-180-180155.56.7110.2Q282 P342 Y382 F384Q282-R345 PolarHBondContact O-NE 3.25Å; Q282-R345 PolarHBondContact O-NH2 3.42Å; P342-R345 WeakPolarHBondContact O-CB 3.36Å; P342-R345 PolarHBondContact O-N 3.28Å; R345-Y382 HydrophobicContact CG-CD2 4.46Å; R345-Y382 HydrophobicContact CG-CG 4.13Å; R345-F384 HydrophobicContact CG-CD1 4.25Å; R345-F384 HydrophobicContact CG-CE1 3.58Å; R345-F384 HydrophobicContact CG-CZ 4.12Å
346I80.1Confident66.8Low76 Ų7682 Ų8239%0.3942%0.422SS..EExtended strand (participates in β ladder)trans-98.3115.9167.2-55.1173.9000106.3F344 S348 S383 Q385F344-I346 PolarHBondContact O-N 3.32Å; I346-S348 PolarHBondContact O-N 3.02Å; I346-S383 PolarHBondContact N-O 3.38Å; I346-Q385 HydrophobicContact CD1-CB 4.47Å; I346-Q385 HydrophobicContact CD1-CG 3.85Å; I346-Q385 HydrophobicContact CG1-CG 3.81Å
347I67.5Low64.3Low115 Ų11588 Ų8859%0.5944%0.437SS*.  trans-74.6108.7170.7-57.8171.5000106.5L352I347-L352 HydrophobicContact CG2-CD1 4.34Å
348S56.2Low61.7Low37 Ų3792.6 Ų92.626%0.25946%0.462SS..  trans-73.6135.6170.945.80000109.7I346 D350 T351I346-S348 PolarHBondContact O-N 3.02Å; S348-D350 PolarHBondContact O-N 3.49Å; S348-T351 PolarHBondContact O-N 3.31Å; S348-T351 PolarHBondContact O-OG1 3.49Å
349N48.5Very low59.2Low127 Ų127100.2 Ų100.268%0.67950%0.499SS*.THydrogen-bonded Turntrans-58.1-21.5177.7-80.1-7000113.5T351 L352 M353N349-T351 PolarHBondContact O-N 3.37Å; N349-L352 WeakPolarHBondContact O-CA 3.47Å; N349-L352 WeakPolarHBondContact O-CB 3.3Å; N349-L352 PolarHBondContact O-N 3.24Å; N349-M353 PolarHBondContact O-N 3.03Å
350D47.5Very low56.8Low124 Ų12499.7 Ų99.766%0.66351%0.505SS*.Hα-helixtrans-60.4-27.1175.1-65-26.7000113.3S348 K354S348-D350 PolarHBondContact O-N 3.49Å; D350-K354 PolarHBondContact O-N 2.97Å
351T43.3Very low54.6Low46 Ų4698.5 Ų98.528%0.28251%0.505SS..Hα-helixtrans-77.7-23.2172.822.90000113.6S348 N349 P380S348-T351 PolarHBondContact O-N 3.31Å; S348-T351 PolarHBondContact O-OG1 3.49Å; N349-T351 PolarHBondContact O-N 3.37Å; T351-P380 HydrophobicContact CG2-CB 4.43Å
352L39.3Very low52.3Low98 Ų98104.6 Ų104.651%0.51354%0.537SS..Hα-helixtrans-76.4-42.7169.4-106103.7000110.8I347 N349 K354 N355 D356I347-L352 HydrophobicContact CG2-CD1 4.34Å; N349-L352 WeakPolarHBondContact O-CA 3.47Å; N349-L352 WeakPolarHBondContact O-CB 3.3Å; N349-L352 PolarHBondContact O-N 3.24Å; L352-K354 VanDerWaalsContact C-N 3.26Å; L352-K354 PolarHBondContact O-N 3.18Å; L352-N355 PolarHBondContact O-N 2.92Å; L352-D356 PolarHBondContact O-N 3.4Å; L352-D356 VanDerWaalsContact O-N 3.07Å
353M34.8Very low50.3Low137 Ų137107.9 Ų107.968%0.67555%0.552SS**Hα-helixtrans-64.6-26.4179-80-167.1156.800114N349 N355 D356N349-M353 PolarHBondContact O-N 3.03Å; M353-N355 VanDerWaalsContact C-N 3.29Å; M353-N355 PolarHBondContact O-N 3.17Å; M353-D356 PolarHBondContact O-N 3.35Å
354K40.6Very low47.9Very low142 Ų142109.1 Ų109.162%0.61756%0.558SS**THydrogen-bonded Turntrans-71-24.4172.8-121.6178.4-176.9178.40113.4D350 L352D350-K354 PolarHBondContact O-N 2.97Å; L352-K354 VanDerWaalsContact C-N 3.26Å; L352-K354 PolarHBondContact O-N 3.18Å
355N40.8Very low45.6Very low139 Ų139115 Ų11574%0.74358%0.584SS**THydrogen-bonded Turntrans-91.9-17176-68-17.5000112.5L352 M353 W357L352-N355 PolarHBondContact O-N 2.92Å; M353-N355 VanDerWaalsContact C-N 3.29Å; M353-N355 PolarHBondContact O-N 3.17Å; N355-W357 PolarHBondContact O-N 3.13Å
356D31.1Very low43.2Very low110 Ų110117.7 Ų117.759%0.58861%0.608SS**  trans-8514.9173-72-27.7000113.6L352 M353 N358L352-D356 PolarHBondContact O-N 3.4Å; L352-D356 VanDerWaalsContact O-N 3.07Å; M353-D356 PolarHBondContact O-N 3.35Å; D356-N358 PolarHBondContact O-N 3.11Å
357W34.4Very low41.1Very low186 Ų186119.5 Ų119.571%0.70562%0.623SS**SBendtrans-66.592.6159.2-80.590.4000108N355 T361N355-W357 PolarHBondContact O-N 3.13Å; W357-T361 HydrophobicContact CE3-CG2 4.23Å; W357-T361 HydrophobicContact CZ3-CG2 4.31Å
358N33.4Very low39.5Very low115 Ų115119.6 Ų119.662%0.61562%0.624SS**  trans-27.9137.1173.7-75-41.3000112.9D356 T360 T361D356-N358 PolarHBondContact O-N 3.11Å; N358-T360 WeakPolarHBondContact CB-OG1 3.44Å; N358-T360 PolarHBondContact O-N 3.3Å; N358-T361 PolarHBondContact O-N 2.82Å; N358-T361 PolarHBondContact O-OG1 3.36Å; N358-T361 VanDerWaalsContact O-OG1 3.06Å
359M35.9Very low39Very low163 Ų163123.5 Ų123.580%0.80365%0.646SS**THydrogen-bonded Turntrans-46.6-7.6165.4-162.38781.200114
360T39.5Very low38.7Very low104 Ų104123.3 Ų123.364%0.63865%0.645SS**THydrogen-bonded Turntrans-85-20176.142.20000115.2N358N358-T360 WeakPolarHBondContact CB-OG1 3.44Å; N358-T360 PolarHBondContact O-N 3.3Å
361T41.8Very low38.3Very low71 Ų71122 Ų12244%0.43664%0.639SS.*SBendtrans-88.3-16.517722.40000114.7W357 N358W357-T361 HydrophobicContact CE3-CG2 4.23Å; W357-T361 HydrophobicContact CZ3-CG2 4.31Å; N358-T361 PolarHBondContact O-N 2.82Å; N358-T361 PolarHBondContact O-OG1 3.36Å; N358-T361 VanDerWaalsContact O-OG1 3.06Å
362L40.1Very low38Very low129 Ų129123.8 Ų123.868%0.67565%0.65SS**G310 helixtrans-80.3-17.4-179.9-157.672.9000113.3N364L362-N364 VanDerWaalsContact C-N 3.29Å; L362-N364 PolarHBondContact O-N 3.48Å
363N41.8Very low37.8Very low126 Ų126125.3 Ų125.367%0.67466%0.657SS**G310 helixtrans-81.9-5.2-177.6-66.6-13.4000113.9
364N36.9Very low37.7Very low140 Ų140125.8 Ų125.875%0.74966%0.66SS**G310 helixtrans-112.34.9-177.7-74.9-8.9000114.6L362L362-N364 VanDerWaalsContact C-N 3.29Å; L362-N364 PolarHBondContact O-N 3.48Å
365F39.1Very low37.4Very low166 Ų166125 Ų12573%0.72866%0.661SS**  trans-105.871.3174.5-111.7-88.5000110.6
366T35Very low37.3Very low120 Ų120126.5 Ų126.574%0.73667%0.666SS**  trans-73.6134.9152.735.40000107.7
367T35.3Very low37.6Very low115 Ų115129.5 Ų129.571%0.70667%0.674SS**SBendtrans8579173.872.30000117.6
368N34.4Very low38.1Very low116 Ų116127 Ų12762%0.6267%0.674SS**  166.4114.4121.2-84-22.9000110.4N370N368-N370 PolarHBondContact O-N 3.04Å; N368-N370 VanDerWaalsContact O-N 3.13Å
369T46.1Very low38.9Very low119 Ų119128.2 Ų128.273%0.7367%0.674SS**THydrogen-bonded Turntrans-69.1-4.8-175.8400000114.7
370N42.5Very low39.7Very low123 Ų123123.2 Ų123.266%0.65865%0.654SS**THydrogen-bonded Turntrans-90.7-30-178.3-68-20.7000113.3N368N368-N370 PolarHBondContact O-N 3.04Å; N368-N370 VanDerWaalsContact O-N 3.13Å
371D37.9Very low40.6Very low98 Ų98122.9 Ų122.952%0.52465%0.652SS.*Hα-helixtrans-81-31.1-174.3-67.3-32.1000112.7M374D371-M374 PolarHBondContact O-N 3.29Å
372T37.8Very low41.9Very low83 Ų83122.6 Ų122.651%0.50964%0.643SS.*Hα-helixtrans-72.4-28.5174.931.90000113.1M374T372-M374 VanDerWaalsContact C-N 3.33Å
373L34.5Very low43.8Very low129 Ų129118.8 Ų118.868%0.67563%0.628SS**Hα-helixtrans-73.2-26.8175.3-167.967.5000112.3
374M32.2Very low45.9Very low147 Ų147113.3 Ų113.372%0.72460%0.598SS**Hα-helixtrans-78-31.4-179.2-145.6177.7175.100112.4D371 T372D371-M374 PolarHBondContact O-N 3.29Å; T372-M374 VanDerWaalsContact C-N 3.33Å
375L35.4Very low48.4Very low125 Ų125110.7 Ų110.765%0.65458%0.581SS**Hα-helixtrans-74.8-30.4177.1-86.3159.3000113.7K377L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 2.88Å
376M37.3Very low50.6Low172 Ų172111.8 Ų111.885%0.84758%0.58SS**THydrogen-bonded Turntrans-79.6-8.5177.5-71-165.7-177.100114.3
377K38Very low53.2Low172 Ų172109.4 Ų109.475%0.74856%0.563SS**THydrogen-bonded Turntrans-89.4-12-175.2-153.6171.8-174.8175.60114.3L375 K379L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 2.88Å; K377-K379 PolarHBondContact O-N 3.42Å; K377-K379 VanDerWaalsContact O-N 3.14Å
378N45.2Very low55.9Low133 Ų133104 Ų10471%0.71153%0.529SS*.  trans-82.696.5177.5-79-18.3000109.9
379K49.8Very low58.5Low141 Ų141101.1 Ų101.161%0.61351%0.51SS*.  trans-46.9133.1163.2-77-175.1176.4-176.10108.4K377 T381K377-K379 PolarHBondContact O-N 3.42Å; K377-K379 VanDerWaalsContact O-N 3.14Å; K379-T381 PolarHBondContact O-N 3.44Å
380P53.7Low60.6Low59 Ų59100 Ų10038%0.38350%0.499SS..  trans-58.3117.1179.122.7-32.3000109.3T351 Y382T351-P380 HydrophobicContact CG2-CB 4.43Å; P380-Y382 HydrophobicContact CB-CE1 4.31Å; P380-Y382 HydrophobicContact CG-CE1 4.37Å; P380-Y382 HydrophobicContact CG-CE2 4.11Å; P380-Y382 WeakPolarHBondContact CG-OH 3.28Å; P380-Y382 WeakPolarHBondContact O-CD2 3.38Å; P380-Y382 WeakPolarHBondContact O-CE2 3.18Å; P380-Y382 PolarHBondContact O-N 3.33Å
381T57.6Low63Low96 Ų9697.2 Ų97.259%0.58948%0.484SS*.  trans-75.2112.6171.545.20000108A285 K379A285-T381 HydrophobicContact CB-CG2 4.48Å; K379-T381 PolarHBondContact O-N 3.44Å
382Y70.4Confident65.4Low66 Ų6692.6 Ų92.626%0.25946%0.459SS..  trans-83.3145179.8-60.7-75.6000110.6G283 R345 P380 F384G283-Y382 PolarHBondContact O-N 2.85Å; R345-Y382 HydrophobicContact CG-CD2 4.46Å; R345-Y382 HydrophobicContact CG-CG 4.13Å; P380-Y382 HydrophobicContact CB-CE1 4.31Å; P380-Y382 HydrophobicContact CG-CE1 4.37Å; P380-Y382 HydrophobicContact CG-CE2 4.11Å; P380-Y382 WeakPolarHBondContact CG-OH 3.28Å; P380-Y382 WeakPolarHBondContact O-CD2 3.38Å; P380-Y382 WeakPolarHBondContact O-CE2 3.18Å; P380-Y382 PolarHBondContact O-N 3.33Å; Y382-F384 WeakPolarHBondContact O-CD2 3.31Å; Y382-F384 VanDerWaalsContact O-CE2 3.29Å; Y382-F384 WeakPolarHBondContact O-CE2 3.4Å
383S78.9Confident67.9Low49 Ų4991 Ų9134%0.34345%0.447SS..EExtended strand (participates in β ladder)trans-82.3153.6160.1-73.80000109.3I346I346-S383 PolarHBondContact N-O 3.38Å
384F85.5Confident70.6Confident11 Ų1188.1 Ų88.15%0.04844%0.437CS..EExtended strand (participates in β ladder)trans-127.9150.7-176.6-67.5-89.5000109.8F284 I341 F344 R345 Y382 F388 Y389F284-F384 HydrophobicContact CB-CE2 4.08Å; F284-F384 HydrophobicContact CB-CZ 4.35Å; F284-F384 AromaticContact CD2-CD2 3.58Å; F284-F384 HydrophobicContact CD2-CD2 3.58Å; F284-F384 AromaticContact CD2-CE2 3.54Å; F284-F384 HydrophobicContact CD2-CE2 3.54Å; F284-F384 HydrophobicContact CD2-CG 4.3Å; F284-F384 HydrophobicContact CD2-CZ 4.2Å; F284-F384 HydrophobicContact CE2-CD2 4.05Å; F284-F384 HydrophobicContact CE2-CE2 4.44Å; F284-F384 HydrophobicContact CG-CE2 4.23Å; I341-F384 HydrophobicContact CG2-CD1 4.48Å; I341-F384 HydrophobicContact CG2-CE1 3.52Å; I341-F384 HydrophobicContact CG2-CZ 4.11Å; F344-F384 HydrophobicContact CB-CD1 4.29Å; F344-F384 WeakPolarHBondContact O-CA 3.41Å; R345-F384 HydrophobicContact CG-CD1 4.25Å; R345-F384 HydrophobicContact CG-CE1 3.58Å; R345-F384 HydrophobicContact CG-CZ 4.12Å; Y382-F384 WeakPolarHBondContact O-CD2 3.31Å; Y382-F384 VanDerWaalsContact O-CE2 3.29Å; Y382-F384 WeakPolarHBondContact O-CE2 3.4Å; F384-F388 HydrophobicContact CB-CB 4.49Å; F384-F388 HydrophobicContact CB-CD1 3.79Å; F384-F388 HydrophobicContact CB-CG 4.46Å; F384-F388 AromaticContact CD1-CD1 3.88Å; F384-F388 HydrophobicContact CD1-CD1 3.88Å; F384-F388 HydrophobicContact CD1-CE1 4.07Å; F384-F388 HydrophobicContact CD1-CG 4.41Å; F384-F388 AromaticContact CG-CD1 3.89Å; F384-F388 HydrophobicContact CG-CD1 3.89Å; F384-F388 HydrophobicContact CG-CE1 4.2Å; F384-Y389 HydrophobicContact CB-CE2 3.81Å; F384-Y389 WeakPolarHBondContact O-CE2 3.42Å
385Q88.8Confident73.3Confident85 Ų8581.4 Ų81.440%0.39741%0.405SS..  trans-62.5147.5172.8-65.2177.4-9.900111.4F344 I346 I387 F388 Y389F344-Q385 PolarHBondContact O-N 3.35Å; F344-Q385 VanDerWaalsContact O-N 3.09Å; I346-Q385 HydrophobicContact CD1-CB 4.47Å; I346-Q385 HydrophobicContact CD1-CG 3.85Å; I346-Q385 HydrophobicContact CG1-CG 3.81Å; Q385-I387 HydrophobicContact CB-CG2 4.15Å; Q385-I387 PolarHBondContact O-N 3.26Å; Q385-F388 WeakPolarHBondContact O-CB 3.46Å; Q385-F388 PolarHBondContact O-N 3.03Å; Q385-F388 VanDerWaalsContact O-N 3.09Å; Q385-Y389 WeakPolarHBondContact O-CD2 3.39Å
386W86.3Confident75.8Confident188 Ų18875.4 Ų75.471%0.71237%0.374SS*.Hα-helixtrans-58.5-33.6-178.666.8-91.8000113.1F388 Y389 L390W386-F388 PolarHBondContact O-N 3.45Å; W386-Y389 WeakPolarHBondContact O-CB 3.46Å; W386-Y389 PolarHBondContact O-N 3.06Å; W386-Y389 VanDerWaalsContact O-N 3.07Å; W386-L390 HydrophobicContact CE3-CD1 3.69Å; W386-L390 HydrophobicContact CE3-CG 4.11Å; W386-L390 HydrophobicContact CZ3-CD1 3.34Å; W386-L390 HydrophobicContact CZ3-CG 4.24Å; W386-L390 PolarHBondContact O-N 3.29Å
387I90.1Very high78.3Confident71 Ų7169.3 Ų69.336%0.36435%0.345SS..Hα-helixtrans-62.3-32.9179.4-164.1158.7000112.3F344 Q385 Y389 L390 I391F344-I387 HydrophobicContact CD1-CG2 3.92Å; F344-I387 HydrophobicContact CE1-CG2 3.77Å; Q385-I387 HydrophobicContact CB-CG2 4.15Å; Q385-I387 PolarHBondContact O-N 3.26Å; I387-Y389 VanDerWaalsContact C-N 3.35Å; I387-L390 PolarHBondContact O-N 3.27Å; I387-I391 HydrophobicContact CG1-CD1 4.34Å; I387-I391 WeakPolarHBondContact O-CG1 3.44Å; I387-I391 PolarHBondContact O-N 3.31Å
388F90.5Very high80.7Confident1 Ų164.5 Ų64.50%0.00432%0.324CS..Hα-helixtrans-63.3-42.2174.6174.9-107.4000111.3F284 I337 I341 F344 F384 Q385 W386 L390 I391 L392F284-F388 AromaticContact CD2-CE1 3.83Å; F284-F388 HydrophobicContact CD2-CE1 3.83Å; F284-F388 HydrophobicContact CE2-CD1 4.35Å; F284-F388 AromaticContact CE2-CE1 3.81Å; F284-F388 HydrophobicContact CE2-CE1 3.81Å; I337-F388 HydrophobicContact CG2-CE2 4.12Å; I341-F388 HydrophobicContact CD1-CE2 4.26Å; I341-F388 HydrophobicContact CD1-CZ 3.97Å; I341-F388 HydrophobicContact CG1-CE2 3.78Å; I341-F388 HydrophobicContact CG1-CZ 3.95Å; F344-F388 HydrophobicContact CB-CB 3.8Å; F344-F388 HydrophobicContact CB-CD2 4.21Å; F344-F388 HydrophobicContact CB-CG 4.08Å; F344-F388 HydrophobicContact CD1-CB 4.07Å; F344-F388 HydrophobicContact CD2-CB 4.38Å; F344-F388 AromaticContact CD2-CD2 3.76Å; F344-F388 HydrophobicContact CD2-CD2 3.76Å; F344-F388 HydrophobicContact CD2-CG 4.41Å; F344-F388 HydrophobicContact CE2-CD2 4.36Å; F344-F388 HydrophobicContact CG-CB 3.83Å; F344-F388 HydrophobicContact CG-CD2 4.05Å; F344-F388 HydrophobicContact CG-CG 4.24Å; F384-F388 HydrophobicContact CB-CB 4.49Å; F384-F388 HydrophobicContact CB-CD1 3.79Å; F384-F388 HydrophobicContact CB-CG 4.46Å; F384-F388 AromaticContact CD1-CD1 3.88Å; F384-F388 HydrophobicContact CD1-CD1 3.88Å; F384-F388 HydrophobicContact CD1-CE1 4.07Å; F384-F388 HydrophobicContact CD1-CG 4.41Å; F384-F388 AromaticContact CG-CD1 3.89Å; F384-F388 HydrophobicContact CG-CD1 3.89Å; F384-F388 HydrophobicContact CG-CE1 4.2Å; Q385-F388 WeakPolarHBondContact O-CB 3.46Å; Q385-F388 PolarHBondContact O-N 3.03Å; Q385-F388 VanDerWaalsContact O-N 3.09Å; W386-F388 PolarHBondContact O-N 3.45Å; F388-L390 VanDerWaalsContact C-N 3.32Å; F388-L390 PolarHBondContact O-N 3.28Å; F388-I391 PolarHBondContact O-N 3.37Å; F388-L392 HydrophobicContact CE1-CD2 4.13Å; F388-L392 HydrophobicContact CZ-CD2 4.29Å; F388-L392 VanDerWaalsContact O-CB 3.25Å; F388-L392 WeakPolarHBondContact O-CB 3.45Å; F388-L392 PolarHBondContact O-N 3.45Å
389Y89.9Confident82.7Confident56 Ų5658.4 Ų58.422%0.2229%0.292CS..Hα-helixtrans-62.8-39.3176.3-65-93.5000111.4F284 K288 F384 Q385 W386 I387 L392 I393F284-Y389 HydrophobicContact CE2-CD1 4.3Å; F284-Y389 AromaticContact CE2-CE1 3.66Å; F284-Y389 HydrophobicContact CE2-CE1 3.66Å; F284-Y389 HydrophobicContact CZ-CD1 4.19Å; F284-Y389 AromaticContact CZ-CE1 3.63Å; F284-Y389 HydrophobicContact CZ-CE1 3.63Å; K288-Y389 HydrophobicContact CD-CE1 4.42Å; K288-Y389 PolarHBondContact NZ-OH 3.27Å; F384-Y389 HydrophobicContact CB-CE2 3.81Å; F384-Y389 WeakPolarHBondContact O-CE2 3.42Å; Q385-Y389 WeakPolarHBondContact O-CD2 3.39Å; W386-Y389 WeakPolarHBondContact O-CB 3.46Å; W386-Y389 PolarHBondContact O-N 3.06Å; W386-Y389 VanDerWaalsContact O-N 3.07Å; I387-Y389 VanDerWaalsContact C-N 3.35Å; Y389-L392 PolarHBondContact O-N 2.92Å; Y389-I393 VanDerWaalsContact O-CB 3.25Å; Y389-I393 WeakPolarHBondContact O-CB 3.33Å; Y389-I393 WeakPolarHBondContact O-CD1 3.4Å; Y389-I393 WeakPolarHBondContact O-CG1 2.92Å; Y389-I393 PolarHBondContact O-N 3.34Å
390L91.2Very high84.5Confident95 Ų9554.8 Ų54.850%0.49727%0.274SS..Hα-helixtrans-64.8-44.1176.7-71.4-170.4000113.1W386 I387 F388 L392 I393 S394W386-L390 HydrophobicContact CE3-CD1 3.69Å; W386-L390 HydrophobicContact CE3-CG 4.11Å; W386-L390 HydrophobicContact CZ3-CD1 3.34Å; W386-L390 HydrophobicContact CZ3-CG 4.24Å; W386-L390 PolarHBondContact O-N 3.29Å; I387-L390 PolarHBondContact O-N 3.27Å; F388-L390 VanDerWaalsContact C-N 3.32Å; F388-L390 PolarHBondContact O-N 3.28Å; L390-L392 VanDerWaalsContact C-N 3.31Å; L390-L392 PolarHBondContact O-N 3.25Å; L390-I393 PolarHBondContact O-N 2.99Å; L390-S394 WeakPolarHBondContact O-CB 3.09Å; L390-S394 PolarHBondContact O-N 3.38Å; L390-S394 PolarHBondContact O-OG 3.15Å
391I91.3Very high86.2Confident65 Ų6554.2 Ų54.233%0.33327%0.267SS..Hα-helixtrans-62.5-42.4176.1-66.2167.7000110.2I337 F344 I387 F388 S394 G395I337-I391 HydrophobicContact CD1-CG2 3.94Å; I337-I391 HydrophobicContact CG1-CG2 3.78Å; F344-I391 HydrophobicContact CZ-CD1 4.3Å; I387-I391 HydrophobicContact CG1-CD1 4.34Å; I387-I391 WeakPolarHBondContact O-CG1 3.44Å; I387-I391 PolarHBondContact O-N 3.31Å; F388-I391 PolarHBondContact O-N 3.37Å; I391-S394 PolarHBondContact O-OG 3.04Å; I391-G395 PolarHBondContact O-N 3Å
392L89.6Confident87.6Confident0 Ų049.8 Ų49.80%024%0.24CC..Hα-helixtrans-66.9-43.5179.8-171.266.8000111.8I279 F284 L292 I337 F388 Y389 L390 G395 F396I279-L392 HydrophobicContact CD1-CD1 3.73Å; F284-L392 HydrophobicContact CZ-CD2 4.31Å; L292-L392 HydrophobicContact CD2-CD2 4.15Å; L292-L392 HydrophobicContact CD2-CG 4.36Å; I337-L392 HydrophobicContact CG2-CD1 4.16Å; F388-L392 HydrophobicContact CE1-CD2 4.13Å; F388-L392 HydrophobicContact CZ-CD2 4.29Å; F388-L392 VanDerWaalsContact O-CB 3.25Å; F388-L392 WeakPolarHBondContact O-CB 3.45Å; F388-L392 PolarHBondContact O-N 3.45Å; Y389-L392 PolarHBondContact O-N 2.92Å; L390-L392 VanDerWaalsContact C-N 3.31Å; L390-L392 PolarHBondContact O-N 3.25Å; L392-G395 PolarHBondContact O-N 3.27Å; L392-F396 HydrophobicContact CD1-CD2 4.08Å; L392-F396 HydrophobicContact CD1-CE2 3.55Å; L392-F396 HydrophobicContact CD1-CZ 4.08Å; L392-F396 HydrophobicContact CD2-CE2 4.02Å; L392-F396 HydrophobicContact CG-CD2 3.82Å; L392-F396 HydrophobicContact CG-CE2 3.55Å; L392-F396 VanDerWaalsContact O-CD2 3.3Å; L392-F396 WeakPolarHBondContact O-CD2 3.46Å; L392-F396 PolarHBondContact O-N 3.19Å
393I90.4Very high88.4Confident50 Ų5047.5 Ų47.526%0.25624%0.235SC..Hα-helixtrans-62.2-46.6177.1-75.3166.4000110.9L292 F296 Y389 L390 F396 L397L292-I393 HydrophobicContact CD1-CD1 3.61Å; L292-I393 HydrophobicContact CD1-CG1 3.3Å; L292-I393 HydrophobicContact CD2-CG1 4.26Å; L292-I393 HydrophobicContact CG-CG1 4.2Å; F296-I393 HydrophobicContact CE1-CG2 4.03Å; F296-I393 HydrophobicContact CZ-CB 4.39Å; F296-I393 HydrophobicContact CZ-CG1 4.28Å; F296-I393 HydrophobicContact CZ-CG2 4.13Å; Y389-I393 VanDerWaalsContact O-CB 3.25Å; Y389-I393 WeakPolarHBondContact O-CB 3.33Å; Y389-I393 WeakPolarHBondContact O-CD1 3.4Å; Y389-I393 WeakPolarHBondContact O-CG1 2.92Å; Y389-I393 PolarHBondContact O-N 3.34Å; L390-I393 PolarHBondContact O-N 2.99Å; I393-F396 PolarHBondContact O-N 3.2Å; I393-L397 HydrophobicContact CG2-CD1 3.65Å; I393-L397 HydrophobicContact CG2-CG 4.39Å; I393-L397 WeakPolarHBondContact O-CB 3.18Å; I393-L397 WeakPolarHBondContact O-CG 3.04Å; I393-L397 PolarHBondContact O-N 2.99Å
394S89.8Confident88.8Confident69 Ų6945.8 Ų45.848%0.48322%0.222SC..Hα-helixtrans-64.8-41.5179.968.70000111.7L390 I391 L397 F398L390-S394 WeakPolarHBondContact O-CB 3.09Å; L390-S394 PolarHBondContact O-N 3.38Å; L390-S394 PolarHBondContact O-OG 3.15Å; I391-S394 PolarHBondContact O-OG 3.04Å; S394-L397 PolarHBondContact O-N 3.34Å; S394-F398 WeakPolarHBondContact O-CB 3.13Å; S394-F398 PolarHBondContact O-N 3.33Å
395G89Confident88.9Confident5 Ų545.2 Ų45.25%0.05222%0.219CC..Hα-helixtrans-60.1-48.4174.300000112.5I391 L392 F398 D399I391-G395 PolarHBondContact O-N 3Å; L392-G395 PolarHBondContact O-N 3.27Å; G395-F398 PolarHBondContact O-N 3.34Å; G395-D399 PolarHBondContact O-N 3.19Å
396F88.8Confident88.9Confident0 Ų041.6 Ų41.60%020%0.203CC..Hα-helixtrans-65.5-39.8176.9-76.9-46.4000113Y272 H276 I279 L289 L292 F296 F334 L392 I393 D399 R400Y272-F396 AromaticContact CE2-CD1 3.72Å; Y272-F396 HydrophobicContact CE2-CD1 3.72Å; Y272-F396 AromaticContact CE2-CE1 3.83Å; Y272-F396 HydrophobicContact CE2-CE1 3.83Å; H276-F396 AromaticContact CD2-CZ 3.91Å; I279-F396 HydrophobicContact CD1-CE2 4.26Å; I279-F396 HydrophobicContact CD1-CZ 3.71Å; L289-F396 HydrophobicContact CD1-CE2 3.97Å; L289-F396 HydrophobicContact CD1-CZ 4.3Å; L292-F396 HydrophobicContact CD2-CD2 3.68Å; L292-F396 HydrophobicContact CD2-CE2 3.95Å; F296-F396 HydrophobicContact CE2-CB 3.78Å; F296-F396 HydrophobicContact CE2-CD2 4.4Å; F296-F396 HydrophobicContact CE2-CG 4.43Å; F296-F396 HydrophobicContact CZ-CB 3.96Å; F334-F396 AromaticContact CE1-CD1 3.87Å; F334-F396 HydrophobicContact CE1-CD1 3.87Å; F334-F396 AromaticContact CE1-CE1 3.79Å; F334-F396 HydrophobicContact CE1-CE1 3.79Å; F334-F396 HydrophobicContact CE1-CG 4.42Å; F334-F396 HydrophobicContact CE1-CZ 4.31Å; F334-F396 AromaticContact CZ-CD1 3.52Å; F334-F396 HydrophobicContact CZ-CD1 3.52Å; F334-F396 AromaticContact CZ-CE1 3.76Å; F334-F396 HydrophobicContact CZ-CE1 3.76Å; F334-F396 HydrophobicContact CZ-CG 4.27Å; L392-F396 HydrophobicContact CD1-CD2 4.08Å; L392-F396 HydrophobicContact CD1-CE2 3.55Å; L392-F396 HydrophobicContact CD1-CZ 4.08Å; L392-F396 HydrophobicContact CD2-CE2 4.02Å; L392-F396 HydrophobicContact CG-CD2 3.82Å; L392-F396 HydrophobicContact CG-CE2 3.55Å; L392-F396 VanDerWaalsContact O-CD2 3.3Å; L392-F396 WeakPolarHBondContact O-CD2 3.46Å; L392-F396 PolarHBondContact O-N 3.19Å; I393-F396 PolarHBondContact O-N 3.2Å; F396-D399 PolarHBondContact O-N 3.33Å; F396-R400 WeakPolarHBondContact O-CB 3.39Å; F396-R400 WeakPolarHBondContact O-CG 3.44Å; F396-R400 PolarHBondContact O-N 2.98Å
397L89Confident88.9Confident44 Ų4435.4 Ų35.423%0.2318%0.181CC..Hα-helixtrans-61-45.5175-80.7165.3000111.6F296 I299 I393 S394 R400 I401F296-L397 HydrophobicContact CD1-CD2 3.75Å; F296-L397 HydrophobicContact CD1-CG 4.1Å; F296-L397 HydrophobicContact CE1-CD1 4.09Å; F296-L397 HydrophobicContact CE1-CD2 3.72Å; F296-L397 HydrophobicContact CE1-CG 3.54Å; F296-L397 HydrophobicContact CZ-CG 4.27Å; I299-L397 HydrophobicContact CD1-CD2 3.71Å; I299-L397 HydrophobicContact CG2-CD2 4.1Å; I393-L397 HydrophobicContact CG2-CD1 3.65Å; I393-L397 HydrophobicContact CG2-CG 4.39Å; I393-L397 WeakPolarHBondContact O-CB 3.18Å; I393-L397 WeakPolarHBondContact O-CG 3.04Å; I393-L397 PolarHBondContact O-N 2.99Å; S394-L397 PolarHBondContact O-N 3.34Å; L397-R400 PolarHBondContact O-N 3.48Å; L397-I401 VanDerWaalsContact O-CG1 3.24Å; L397-I401 WeakPolarHBondContact O-CG1 3.23Å; L397-I401 PolarHBondContact O-N 2.89Å
398F89.3Confident88.8Confident71 Ų7132 Ų3231%0.31116%0.164SC..Hα-helixtrans-62.1-45.5178.5-177.3-101.8000111.7P326 M333 S394 G395 R400 I401 T402P326-F398 HydrophobicContact CB-CZ 4.12Å; P326-F398 WeakPolarHBondContact O-CE1 3.46Å; M333-F398 HydrophobicContact CE-CD1 4.05Å; M333-F398 HydrophobicContact CE-CE1 3.93Å; M333-F398 HydrophobicContact CE-CZ 4.38Å; M333-F398 HydrophobicContact SD-CD1 3.74Å; M333-F398 HydrophobicContact SD-CE1 4.14Å; M333-F398 HydrophobicContact SD-CG 4.37Å; S394-F398 WeakPolarHBondContact O-CB 3.13Å; S394-F398 PolarHBondContact O-N 3.33Å; G395-F398 PolarHBondContact O-N 3.34Å; F398-R400 PolarHBondContact O-N 3.47Å; F398-I401 PolarHBondContact O-N 2.75Å; F398-T402 HydrophobicContact CD1-CG2 4.49Å; F398-T402 HydrophobicContact CE1-CG2 4.09Å; F398-T402 HydrophobicContact CE2-CG2 4.24Å; F398-T402 HydrophobicContact CZ-CG2 3.96Å; F398-T402 WeakPolarHBondContact O-CG2 3.36Å; F398-T402 PolarHBondContact O-N 2.98Å; F398-T402 PolarHBondContact O-OG1 2.9Å
399D87.2Confident88.7Confident5 Ų532.1 Ų32.13%0.02716%0.164CC..Hα-helixtrans-59.7-46.1175.1-17470.4000111.9Y272 S330 F334 G395 F396 I401 T402 A403Y272-D399 WeakPolarHBondContact CD2-OD2 3.49Å; Y272-D399 WeakPolarHBondContact CE2-OD2 3.32Å; S330-D399 PolarHBondContact OG-OD1 2.87Å; F334-D399 HydrophobicContact CE2-CB 4.2Å; G395-D399 PolarHBondContact O-N 3.19Å; F396-D399 PolarHBondContact O-N 3.33Å; D399-I401 PolarHBondContact O-N 3.09Å; D399-T402 PolarHBondContact O-N 3.46Å; D399-T402 PolarHBondContact O-OG1 3.3Å; D399-A403 WeakPolarHBondContact O-CB 3.41Å; D399-A403 PolarHBondContact O-N 3.43Å
400R87.2Confident88.7Confident65 Ų6530.5 Ų30.525%0.24516%0.158CC..Hα-helixtrans-61-43.3178.4-70-77.7176.3139.4-0.7112.4Y272 N293 D300 F396 L397 F398 A403 L404Y272-R400 PolarHBondContact OH-NE 2.77Å; Y272-R400 PolarHBondContact OH-NH2 2.89Å; N293-R400 PolarHBondContact OD1-NH2 2.89Å; D300-R400 IonicContact OD2-NH1 3.66Å; D300-R400 PolarHBondContact OD2-NH1 3.3Å; F396-R400 WeakPolarHBondContact O-CB 3.39Å; F396-R400 WeakPolarHBondContact O-CG 3.44Å; F396-R400 PolarHBondContact O-N 2.98Å; L397-R400 PolarHBondContact O-N 3.48Å; F398-R400 PolarHBondContact O-N 3.47Å; R400-A403 PolarHBondContact O-N 3.33Å; R400-L404 VanDerWaalsContact O-CB 3.28Å; R400-L404 WeakPolarHBondContact O-CB 3.37Å; R400-L404 PolarHBondContact O-N 3.47Å
401I88.3Confident88.5Confident47 Ų4726.3 Ų26.324%0.24114%0.136CC..Hα-helixtrans-63.3-50.6178.2-69.3164.7000110.7L303 F307 L397 F398 D399 A403 L404 I405L303-I401 HydrophobicContact CD1-CG1 3.65Å; L303-I401 HydrophobicContact CD2-CD1 4.33Å; L303-I401 HydrophobicContact CD2-CG1 3.91Å; L303-I401 HydrophobicContact CG-CG1 4.47Å; F307-I401 HydrophobicContact CE2-CG2 4Å; F307-I401 HydrophobicContact CZ-CG2 4.04Å; L397-I401 VanDerWaalsContact O-CG1 3.24Å; L397-I401 WeakPolarHBondContact O-CG1 3.23Å; L397-I401 PolarHBondContact O-N 2.89Å; F398-I401 PolarHBondContact O-N 2.75Å; D399-I401 PolarHBondContact O-N 3.09Å; I401-A403 VanDerWaalsContact C-N 3.29Å; I401-A403 PolarHBondContact O-N 3.04Å; I401-L404 PolarHBondContact O-N 3.22Å; I401-I405 HydrophobicContact CG2-CD1 4Å; I401-I405 WeakPolarHBondContact O-CG1 3.14Å; I401-I405 PolarHBondContact O-N 3.29Å
402T88.6Confident88.4Confident3 Ų323.5 Ų23.52%0.01812%0.122CC..Hα-helixtrans-64.6-37.7179.760.90000111.3P326 F398 D399 I405 V406P326-T402 HydrophobicContact CB-CG2 3.79Å; F398-T402 HydrophobicContact CD1-CG2 4.49Å; F398-T402 HydrophobicContact CE1-CG2 4.09Å; F398-T402 HydrophobicContact CE2-CG2 4.24Å; F398-T402 HydrophobicContact CZ-CG2 3.96Å; F398-T402 WeakPolarHBondContact O-CG2 3.36Å; F398-T402 PolarHBondContact O-N 2.98Å; F398-T402 PolarHBondContact O-OG1 2.9Å; D399-T402 PolarHBondContact O-N 3.46Å; D399-T402 PolarHBondContact O-OG1 3.3Å; T402-I405 PolarHBondContact O-N 3.1Å; T402-V406 VanDerWaalsContact O-CG2 3.31Å; T402-V406 WeakPolarHBondContact O-CG2 3.41Å; T402-V406 PolarHBondContact O-N 3.11Å; T402-V406 VanDerWaalsContact O-N 3.13Å
403A86.7Confident88.4Confident18 Ų1823.6 Ų23.615%0.14912%0.123CC..Hα-helixtrans-63.9-42.1175.800000113R327 D399 R400 I401 F407R327-A403 VanDerWaalsContact CZ-CB 3.43Å; R327-A403 VanDerWaalsContact NH1-CA 3.3Å; D399-A403 WeakPolarHBondContact O-CB 3.41Å; D399-A403 PolarHBondContact O-N 3.43Å; R400-A403 PolarHBondContact O-N 3.33Å; I401-A403 VanDerWaalsContact C-N 3.29Å; I401-A403 PolarHBondContact O-N 3.04Å; A403-F407 WeakPolarHBondContact O-CB 3.11Å; A403-F407 PolarHBondContact O-N 3.45Å
404L87.9Confident88.5Confident12 Ų1221.2 Ų21.26%0.06311%0.111CC..Hα-helixtrans-62.7-48.3176.7172.967.4000111.8K125 L303 P304 R400 I401 V406 F407 L408K125-L404 HydrophobicContact CD-CD1 4.39Å; K125-L404 HydrophobicContact CG-CD1 3.72Å; L303-L404 HydrophobicContact CB-CD2 3.31Å; L303-L404 HydrophobicContact CD1-CD2 4.28Å; L303-L404 HydrophobicContact CG-CD2 4.43Å; P304-L404 HydrophobicContact CB-CD1 4.34Å; P304-L404 HydrophobicContact CB-CD2 4.44Å; P304-L404 HydrophobicContact CG-CD1 3.85Å; P304-L404 HydrophobicContact CG-CD2 3.95Å; R400-L404 VanDerWaalsContact O-CB 3.28Å; R400-L404 WeakPolarHBondContact O-CB 3.37Å; R400-L404 PolarHBondContact O-N 3.47Å; I401-L404 PolarHBondContact O-N 3.22Å; L404-V406 VanDerWaalsContact C-N 3.33Å; L404-V406 PolarHBondContact O-N 2.99Å; L404-F407 WeakPolarHBondContact O-CB 3.29Å; L404-F407 PolarHBondContact O-N 3.27Å; L404-L408 HydrophobicContact CD1-CD1 3.99Å; L404-L408 HydrophobicContact CD1-CD2 4.42Å; L404-L408 HydrophobicContact CD1-CG 3.94Å; L404-L408 HydrophobicContact CG-CD1 4.04Å; L404-L408 HydrophobicContact CG-CG 4.35Å; L404-L408 WeakPolarHBondContact O-CG 3.44Å; L404-L408 PolarHBondContact O-N 3.37Å
405I87.9Confident88.4Confident0 Ų018.3 Ų18.30%09%0.09CC..Hα-helixtrans-60.8-46.6-178.7-67.6169.1000109.8F307 T311 F323 I401 T402 F407 L408 Q409F307-I405 HydrophobicContact CB-CG1 4.28Å; F307-I405 HydrophobicContact CD1-CD1 3.76Å; F307-I405 HydrophobicContact CD1-CG1 4.19Å; F307-I405 HydrophobicContact CE1-CD1 3.89Å; F307-I405 HydrophobicContact CG-CD1 4.1Å; F307-I405 HydrophobicContact CG-CG1 4.08Å; F307-I405 HydrophobicContact CZ-CD1 4.34Å; T311-I405 HydrophobicContact CG2-CG2 4.04Å; F323-I405 HydrophobicContact CB-CB 4.38Å; F323-I405 HydrophobicContact CB-CG2 3.78Å; F323-I405 HydrophobicContact CD1-CB 4.29Å; F323-I405 HydrophobicContact CD1-CD1 3.47Å; F323-I405 VanDerWaalsContact CD1-CD1 3.47Å; F323-I405 HydrophobicContact CD1-CG1 4.48Å; F323-I405 HydrophobicContact CD1-CG2 3.98Å; F323-I405 HydrophobicContact CD2-CG2 3.9Å; F323-I405 HydrophobicContact CE1-CD1 3.42Å; F323-I405 VanDerWaalsContact CE1-CD1 3.42Å; F323-I405 HydrophobicContact CG-CB 4.3Å; F323-I405 HydrophobicContact CG-CD1 4.2Å; F323-I405 HydrophobicContact CG-CG2 3.58Å; F323-I405 HydrophobicContact CZ-CD1 4.16Å; I401-I405 HydrophobicContact CG2-CD1 4Å; I401-I405 WeakPolarHBondContact O-CG1 3.14Å; I401-I405 PolarHBondContact O-N 3.29Å; T402-I405 PolarHBondContact O-N 3.1Å; I405-F407 VanDerWaalsContact C-N 3.32Å; I405-F407 PolarHBondContact O-N 3.27Å; I405-L408 PolarHBondContact O-N 3.25Å; I405-Q409 HydrophobicContact CG2-CG 4.3Å; I405-Q409 WeakPolarHBondContact O-CB 3.25Å; I405-Q409 WeakPolarHBondContact O-CG 3.33Å; I405-Q409 PolarHBondContact O-N 2.86Å; I405-Q409 VanDerWaalsContact O-N 3.16Å
406V87.8Confident88.3Confident9 Ų923.3 Ų23.36%0.05511%0.11CC..Hα-helixtrans-59.2-44.8176.6173.20000110.9F323 T402 L404 Q409 F410F323-V406 HydrophobicContact CB-CG2 4.36Å; T402-V406 VanDerWaalsContact O-CG2 3.31Å; T402-V406 WeakPolarHBondContact O-CG2 3.41Å; T402-V406 PolarHBondContact O-N 3.11Å; T402-V406 VanDerWaalsContact O-N 3.13Å; L404-V406 VanDerWaalsContact C-N 3.33Å; L404-V406 PolarHBondContact O-N 2.99Å; V406-Q409 PolarHBondContact O-N 3.48Å; V406-F410 HydrophobicContact CG1-CD2 3.65Å; V406-F410 HydrophobicContact CG1-CE2 3.5Å; V406-F410 WeakPolarHBondContact O-CD2 3.42Å; V406-F410 PolarHBondContact O-N 3.36Å; V406-F410 VanDerWaalsContact O-N 3.16Å
407F86.3Confident88.3Confident58 Ų5823.8 Ų23.825%0.25411%0.113SC..Hα-helixtrans-59-51.6177.1174.3-96.1000112.6K125 A403 L404 I405 Q409 F410 Q411K125-F407 HydrophobicContact CB-CE1 4.14Å; K125-F407 HydrophobicContact CD-CD1 4.28Å; K125-F407 HydrophobicContact CD-CE1 3.95Å; K125-F407 HydrophobicContact CG-CD1 4.44Å; K125-F407 HydrophobicContact CG-CE1 4.24Å; A403-F407 WeakPolarHBondContact O-CB 3.11Å; A403-F407 PolarHBondContact O-N 3.45Å; L404-F407 WeakPolarHBondContact O-CB 3.29Å; L404-F407 PolarHBondContact O-N 3.27Å; I405-F407 VanDerWaalsContact C-N 3.32Å; I405-F407 PolarHBondContact O-N 3.27Å; F407-Q409 PolarHBondContact O-N 3.4Å; F407-F410 PolarHBondContact O-N 2.92Å; F407-Q411 WeakPolarHBondContact O-CB 3.43Å; F407-Q411 PolarHBondContact O-N 3.14Å
408L88.3Confident88.2Confident0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-60-34-178.1-70.3177.1000112.5S121 K125 P304 T311 L404 I405 Q411 A412S121-L408 PolarHBondContact OG-O 2.92Å; K125-L408 HydrophobicContact CB-CD2 4Å; K125-L408 HydrophobicContact CG-CD2 4.41Å; P304-L408 HydrophobicContact CB-CD1 4.16Å; T311-L408 HydrophobicContact CG2-CB 4.22Å; T311-L408 HydrophobicContact CG2-CD1 4.46Å; L404-L408 HydrophobicContact CD1-CD1 3.99Å; L404-L408 HydrophobicContact CD1-CD2 4.42Å; L404-L408 HydrophobicContact CD1-CG 3.94Å; L404-L408 HydrophobicContact CG-CD1 4.04Å; L404-L408 HydrophobicContact CG-CG 4.35Å; L404-L408 WeakPolarHBondContact O-CG 3.44Å; L404-L408 PolarHBondContact O-N 3.37Å; I405-L408 PolarHBondContact O-N 3.25Å; L408-Q411 PolarHBondContact O-N 3.22Å; L408-A412 VanDerWaalsContact O-CB 3.23Å; L408-A412 WeakPolarHBondContact O-CB 3.48Å; L408-A412 PolarHBondContact O-N 2.95Å
409Q88.2Confident87.8Confident2 Ų220.4 Ų20.41%0.00910%0.099CC..Hα-helixtrans-75.8-45.8-176.8-65.2-8624.600112.3T311 P316 I405 V406 F407 Q411 A412 F413T311-Q409 VanDerWaalsContact CA-NE2 3.31Å; T311-Q409 HydrophobicContact CG2-CG 3.88Å; T311-Q409 PolarHBondContact O-OE1 3.22Å; P316-Q409 VanDerWaalsContact CB-OE1 3.29Å; P316-Q409 PolarHBondContact O-OE1 2.91Å; I405-Q409 HydrophobicContact CG2-CG 4.3Å; I405-Q409 WeakPolarHBondContact O-CB 3.25Å; I405-Q409 WeakPolarHBondContact O-CG 3.33Å; I405-Q409 PolarHBondContact O-N 2.86Å; I405-Q409 VanDerWaalsContact O-N 3.16Å; V406-Q409 PolarHBondContact O-N 3.48Å; F407-Q409 PolarHBondContact O-N 3.4Å; Q409-Q411 PolarHBondContact O-N 3.08Å; Q409-A412 PolarHBondContact O-N 2.93Å; Q409-F413 PolarHBondContact O-N 3.03Å
410F89.3Confident87.4Confident23 Ų2323.3 Ų23.310%0.10112%0.118CC..Hα-helixtrans-59.4-40.7171.5-80.3-69.1000110Y257 I260 I261 L317 V406 F407 F413 S414Y257-F410 AromaticContact CE2-CD1 3.67Å; Y257-F410 HydrophobicContact CE2-CD1 3.67Å; Y257-F410 HydrophobicContact CE2-CE1 4.08Å; Y257-F410 AromaticContact CZ-CD1 3.97Å; Y257-F410 PolarHBondContact OH-O 3.42Å; I260-F410 HydrophobicContact CG2-CE1 3.92Å; I260-F410 HydrophobicContact CG2-CZ 3.97Å; I261-F410 HydrophobicContact CD1-CD1 4.23Å; I261-F410 HydrophobicContact CG1-CD1 3.59Å; I261-F410 HydrophobicContact CG1-CE1 3.69Å; I261-F410 HydrophobicContact CG1-CG 4.33Å; I261-F410 HydrophobicContact CG1-CZ 4.47Å; L317-F410 HydrophobicContact CD1-CD1 3.85Å; L317-F410 HydrophobicContact CD1-CE1 3.67Å; L317-F410 HydrophobicContact CD1-CZ 4.5Å; V406-F410 HydrophobicContact CG1-CD2 3.65Å; V406-F410 HydrophobicContact CG1-CE2 3.5Å; V406-F410 WeakPolarHBondContact O-CD2 3.42Å; V406-F410 PolarHBondContact O-N 3.36Å; V406-F410 VanDerWaalsContact O-N 3.16Å; F407-F410 PolarHBondContact O-N 2.92Å; F410-F413 PolarHBondContact O-N 3.3Å; F410-S414 WeakPolarHBondContact O-CB 3.21Å; F410-S414 PolarHBondContact O-N 3.32Å; F410-S414 PolarHBondContact O-OG 3.01Å
411Q88.4Confident86.9Confident6 Ų624 Ų243%0.02813%0.13CC..Hα-helixtrans-71.5-39-179.4-156.255.327.900113.5F407 L408 Q409 F413 S414 V415 N431F407-Q411 WeakPolarHBondContact O-CB 3.43Å; F407-Q411 PolarHBondContact O-N 3.14Å; L408-Q411 PolarHBondContact O-N 3.22Å; Q409-Q411 PolarHBondContact O-N 3.08Å; Q411-F413 VanDerWaalsContact C-N 3.31Å; Q411-F413 PolarHBondContact O-N 3.42Å; Q411-S414 WeakPolarHBondContact O-CB 3.43Å; Q411-S414 PolarHBondContact O-N 3.42Å; Q411-V415 VanDerWaalsContact O-CG2 3.28Å; Q411-V415 WeakPolarHBondContact O-CG2 3.47Å; Q411-V415 PolarHBondContact O-N 3.38Å; Q411-N431 PolarHBondContact NE2-OD1 3.47Å; Q411-N431 PolarHBondContact OE1-OD1 3.42Å
412A88.4Confident86.6Confident6 Ų622.1 Ų22.15%0.0512%0.12CC..Hα-helixtrans-61.9-40.1172.700000111.7P316 L408 Q409 K416P316-A412 HydrophobicContact CB-CB 4.21Å; L408-A412 VanDerWaalsContact O-CB 3.23Å; L408-A412 WeakPolarHBondContact O-CB 3.48Å; L408-A412 PolarHBondContact O-N 2.95Å; Q409-A412 PolarHBondContact O-N 2.93Å; A412-K416 WeakPolarHBondContact O-CB 3.46Å; A412-K416 PolarHBondContact O-N 3.41Å
413F90.3Very high86.1Confident3 Ų322 Ų221%0.01312%0.119CC..Hα-helixtrans-65.9-42.7174.3-171.4-99.6000111.7Y257 P316 L317 Q409 F410 Q411 V415 K416 I417 L535 E536 F543Y257-F413 HydrophobicContact CD1-CD1 4.46Å; Y257-F413 HydrophobicContact CD1-CE1 4.46Å; Y257-F413 AromaticContact CD2-CD1 3.7Å; Y257-F413 HydrophobicContact CD2-CD1 3.7Å; Y257-F413 AromaticContact CD2-CE1 3.68Å; Y257-F413 HydrophobicContact CD2-CE1 3.68Å; Y257-F413 HydrophobicContact CE1-CD1 4.13Å; Y257-F413 AromaticContact CE2-CD1 3.31Å; Y257-F413 HydrophobicContact CE2-CD1 3.31Å; Y257-F413 AromaticContact CE2-CE1 3.82Å; Y257-F413 HydrophobicContact CE2-CE1 3.82Å; Y257-F413 HydrophobicContact CE2-CG 4.24Å; Y257-F413 HydrophobicContact CG-CD1 4.25Å; Y257-F413 HydrophobicContact CG-CE1 4.02Å; Y257-F413 AromaticContact CZ-CD1 3.56Å; P316-F413 HydrophobicContact CG-CB 4.13Å; P316-F413 HydrophobicContact CG-CD2 4.09Å; L317-F413 HydrophobicContact CB-CD2 4.13Å; L317-F413 HydrophobicContact CB-CG 4.39Å; L317-F413 HydrophobicContact CD2-CE1 4.39Å; L317-F413 HydrophobicContact CD2-CE2 4.48Å; L317-F413 HydrophobicContact CD2-CZ 4.37Å; Q409-F413 PolarHBondContact O-N 3.03Å; F410-F413 PolarHBondContact O-N 3.3Å; Q411-F413 VanDerWaalsContact C-N 3.31Å; Q411-F413 PolarHBondContact O-N 3.42Å; F413-V415 VanDerWaalsContact C-N 3.34Å; F413-V415 PolarHBondContact O-N 3.43Å; F413-K416 WeakPolarHBondContact O-CB 3.16Å; F413-K416 PolarHBondContact O-N 3.01Å; F413-K416 VanDerWaalsContact O-N 3.09Å; F413-I417 HydrophobicContact CD1-CD1 4.12Å; F413-I417 HydrophobicContact CD1-CG2 4.18Å; F413-I417 HydrophobicContact CD2-CG2 4.49Å; F413-I417 HydrophobicContact CE1-CD1 3.86Å; F413-I417 HydrophobicContact CE1-CG2 3.74Å; F413-I417 HydrophobicContact CE2-CG2 4.06Å; F413-I417 HydrophobicContact CZ-CG2 3.66Å; F413-I417 WeakPolarHBondContact O-CG1 3.46Å; F413-I417 PolarHBondContact O-N 3.4Å; F413-L535 HydrophobicContact CZ-CB 4.08Å; F413-E536 HydrophobicContact CE2-CG 4.22Å; F413-F543 HydrophobicContact CE1-CE1 4.45Å; F413-F543 HydrophobicContact CZ-CE1 4.27Å; F413-F543 HydrophobicContact CZ-CZ 4.07Å
414S90.9Very high85.8Confident0 Ų021.1 Ų21.10%011%0.112CC..Hα-helixtrans-57.5-46.2175.9-64.60000111.7Y257 F410 Q411 K416 I417 S418 M427Y257-S414 PolarHBondContact OH-OG 3.48Å; F410-S414 WeakPolarHBondContact O-CB 3.21Å; F410-S414 PolarHBondContact O-N 3.32Å; F410-S414 PolarHBondContact O-OG 3.01Å; Q411-S414 WeakPolarHBondContact O-CB 3.43Å; Q411-S414 PolarHBondContact O-N 3.42Å; S414-K416 VanDerWaalsContact C-N 3.31Å; S414-K416 PolarHBondContact O-N 2.94Å; S414-I417 WeakPolarHBondContact O-CG1 3.34Å; S414-I417 PolarHBondContact O-N 2.9Å; S414-S418 VanDerWaalsContact O-CB 3.31Å; S414-S418 WeakPolarHBondContact O-CB 3.36Å; S414-S418 PolarHBondContact O-N 3.23Å; S414-S418 VanDerWaalsContact O-N 3.1Å; S414-S418 PolarHBondContact O-OG 3.13Å; S414-M427 VanDerWaalsContact C-SD 3.58Å
415V88.6Confident85.8Confident7 Ų720.6 Ų20.64%0.04211%0.109CC..Hα-helixtrans-60.2-41.4174.6171.50000111.3L109 L117 A120 Q411 F413 M427L109-V415 HydrophobicContact CD2-CB 4.3Å; L109-V415 HydrophobicContact CD2-CG1 3.62Å; L109-V415 WeakPolarHBondContact CD2-O 3.35Å; L117-V415 HydrophobicContact CB-CG1 4.02Å; L117-V415 HydrophobicContact CD2-CG1 3.87Å; L117-V415 WeakPolarHBondContact O-CG1 3.47Å; A120-V415 HydrophobicContact CB-CG1 4.22Å; A120-V415 HydrophobicContact CB-CG2 4.1Å; Q411-V415 VanDerWaalsContact O-CG2 3.28Å; Q411-V415 WeakPolarHBondContact O-CG2 3.47Å; Q411-V415 PolarHBondContact O-N 3.38Å; F413-V415 VanDerWaalsContact C-N 3.34Å; F413-V415 PolarHBondContact O-N 3.43Å; V415-M427 VanDerWaalsContact CA-SD 3.57Å; V415-M427 HydrophobicContact CB-CE 4.32Å; V415-M427 HydrophobicContact CB-SD 4.41Å; V415-M427 HydrophobicContact CG2-CE 3.4Å; V415-M427 HydrophobicContact CG2-SD 4.04Å
416K87.2Confident85.8Confident111 Ų11120.7 Ų20.748%0.48311%0.109SC..Hα-helixtrans-67.8-35.5-177.6-173.6179.7179.4-174.40113.3P314 A412 F413 S414P314-K416 PolarHBondContact O-NZ 3.05Å; A412-K416 WeakPolarHBondContact O-CB 3.46Å; A412-K416 PolarHBondContact O-N 3.41Å; F413-K416 WeakPolarHBondContact O-CB 3.16Å; F413-K416 PolarHBondContact O-N 3.01Å; F413-K416 VanDerWaalsContact O-N 3.09Å; S414-K416 VanDerWaalsContact C-N 3.31Å; S414-K416 PolarHBondContact O-N 2.94Å
417I88Confident85.8Confident9 Ų920.3 Ų20.35%0.04611%0.107CC..Hα-helixtrans-92-13.3-177.467.8172.7000113.7Y257 F413 S414 L430 F543Y257-I417 HydrophobicContact CD1-CD1 4.12Å; Y257-I417 HydrophobicContact CE1-CD1 4.29Å; F413-I417 HydrophobicContact CD1-CD1 4.12Å; F413-I417 HydrophobicContact CD1-CG2 4.18Å; F413-I417 HydrophobicContact CD2-CG2 4.49Å; F413-I417 HydrophobicContact CE1-CD1 3.86Å; F413-I417 HydrophobicContact CE1-CG2 3.74Å; F413-I417 HydrophobicContact CE2-CG2 4.06Å; F413-I417 HydrophobicContact CZ-CG2 3.66Å; F413-I417 WeakPolarHBondContact O-CG1 3.46Å; F413-I417 PolarHBondContact O-N 3.4Å; S414-I417 WeakPolarHBondContact O-CG1 3.34Å; S414-I417 PolarHBondContact O-N 2.9Å; I417-L430 HydrophobicContact CD1-CD1 3.97Å; I417-L430 HydrophobicContact CG1-CD1 4.19Å; I417-F543 HydrophobicContact CB-CB 3.94Å; I417-F543 HydrophobicContact CB-CD1 4.09Å; I417-F543 HydrophobicContact CB-CD2 4.39Å; I417-F543 HydrophobicContact CB-CG 3.9Å; I417-F543 HydrophobicContact CD1-CD1 3.95Å; I417-F543 HydrophobicContact CD1-CE1 4.39Å; I417-F543 HydrophobicContact CG2-CB 4.5Å; I417-F543 HydrophobicContact CG2-CD1 4.04Å; I417-F543 HydrophobicContact CG2-CD2 4.03Å; I417-F543 HydrophobicContact CG2-CE1 4.22Å; I417-F543 HydrophobicContact CG2-CE2 4.21Å; I417-F543 HydrophobicContact CG2-CG 3.94Å; I417-F543 HydrophobicContact CG2-CZ 4.3Å
418S88.3Confident86Confident8 Ų817.6 Ų17.66%0.05610%0.095CC..SBendtrans-77.9129.6-175.1-68.70000111.9S414 P420 M427S414-S418 VanDerWaalsContact O-CB 3.31Å; S414-S418 WeakPolarHBondContact O-CB 3.36Å; S414-S418 PolarHBondContact O-N 3.23Å; S414-S418 VanDerWaalsContact O-N 3.1Å; S414-S418 PolarHBondContact O-OG 3.13Å; S418-P420 WeakPolarHBondContact O-CD 3.46Å; S418-M427 VanDerWaalsContact CB-SD 3.57Å; S418-M427 PolarHBondContact OG-SD 2.78Å
419D79.5Confident86Confident36 Ų3617.7 Ų17.719%0.19310%0.096CC..  trans-68.5122.6176.3-166.3-44.7000111V421 I422 G423 Y426 S544D419-V421 PolarHBondContact O-N 3.4Å; D419-V421 VanDerWaalsContact OD1-CB 3.32Å; D419-V421 WeakPolarHBondContact OD1-CB 3.24Å; D419-V421 WeakPolarHBondContact OD1-CG2 3.41Å; D419-V421 PolarHBondContact OD1-N 3.19Å; D419-I422 HydrophobicContact CB-CG1 4.06Å; D419-I422 CarbonylContact O-C 3.39Å; D419-I422 PolarHBondContact O-N 3.35Å; D419-G423 WeakPolarHBondContact O-CA 3.29Å; D419-G423 PolarHBondContact O-N 3.37Å; D419-Y426 HydrophobicContact CB-CD1 4.27Å; D419-S544 PolarHBondContact OD2-OG 3.37Å
420P79.1Confident86Confident66 Ų6617.6 Ų17.643%0.42910%0.095SC..G310 helixtrans-57.7-29.4178.4-24.534.5000114.2R38 T110 S418 I422 G423R38-P420 PolarHBondContact NH2-O 2.67Å; T110-P420 HydrophobicContact CG2-CB 4.23Å; S418-P420 WeakPolarHBondContact O-CD 3.46Å; P420-I422 VanDerWaalsContact C-N 3.33Å; P420-I422 PolarHBondContact O-N 3.38Å; P420-G423 PolarHBondContact O-N 2.7Å
421V77.3Confident85.8Confident81 Ų8117.2 Ų17.249%0.4919%0.094SC..G310 helixtrans-66-35.3-179.1-179.60000111.2R37 V236 D419R37-V421 PolarHBondContact NH1-O 3.33Å; R37-V421 PolarHBondContact NH2-O 2.95Å; V236-V421 HydrophobicContact CG2-CG1 4.48Å; D419-V421 PolarHBondContact O-N 3.4Å; D419-V421 VanDerWaalsContact OD1-CB 3.32Å; D419-V421 WeakPolarHBondContact OD1-CB 3.24Å; D419-V421 WeakPolarHBondContact OD1-CG2 3.41Å; D419-V421 PolarHBondContact OD1-N 3.19Å
422I81Confident85.7Confident7 Ų717.1 Ų17.14%0.0369%0.094CC..G310 helixtrans-120.433.5174.256169.2000111T241 N244 V248 D419 P420 G424 T425 Y426T241-I422 HydrophobicContact CG2-CG2 4.2Å; N244-I422 HydrophobicContact CB-CD1 4.04Å; V248-I422 HydrophobicContact CG2-CD1 4.3Å; D419-I422 HydrophobicContact CB-CG1 4.06Å; D419-I422 CarbonylContact O-C 3.39Å; D419-I422 PolarHBondContact O-N 3.35Å; P420-I422 VanDerWaalsContact C-N 3.33Å; P420-I422 PolarHBondContact O-N 3.38Å; I422-G424 PolarHBondContact O-N 3.26Å; I422-T425 PolarHBondContact O-N 3.25Å; I422-Y426 WeakPolarHBondContact O-CB 3.18Å; I422-Y426 PolarHBondContact O-N 3.19Å
423G78.8Confident85.6Confident0 Ų017.6 Ų17.60%010%0.096CC..Hα-helixtrans-62.7-38.3-166.300000114.2L109 D419 P420 M427L109-G423 VanDerWaalsContact CD1-CA 3.46Å; D419-G423 WeakPolarHBondContact O-CA 3.29Å; D419-G423 PolarHBondContact O-N 3.37Å; P420-G423 PolarHBondContact O-N 2.7Å; G423-M427 WeakPolarHBondContact O-CB 3.3Å; G423-M427 WeakPolarHBondContact O-CG 3.36Å; G423-M427 PolarHBondContact O-N 2.8Å
424G81.3Confident85.4Confident0 Ų017.7 Ų17.70%010%0.097CC..Hα-helixtrans-63.9-47.2177.800000111.1D28 I422 T428D28-G424 WeakPolarHBondContact OD1-CA 3.09Å; D28-G424 PolarHBondContact OD1-N 3.26Å; D28-G424 PolarHBondContact OD2-N 3.46Å; I422-G424 PolarHBondContact O-N 3.26Å; G424-T428 WeakPolarHBondContact O-CB 3.07Å; G424-T428 PolarHBondContact O-N 3.22Å; G424-T428 PolarHBondContact O-OG1 2.87Å
425T87Confident84.9Confident0 Ų020.9 Ų20.90%011%0.114CC..Hα-helixtrans-64.7-47.3177.7-59.40000112.1A24 P25 D28 I245 I422 T428 L429A24-T425 HydrophobicContact CB-CG2 4.48Å; A24-T425 PolarHBondContact O-OG1 3.01Å; P25-T425 WeakPolarHBondContact CA-OG1 3.45Å; P25-T425 HydrophobicContact CG-CG2 3.87Å; D28-T425 WeakPolarHBondContact CB-OG1 3.28Å; D28-T425 WeakPolarHBondContact OD2-CB 3.37Å; D28-T425 PolarHBondContact OD2-N 2.87Å; D28-T425 PolarHBondContact OD2-OG1 3.03Å; I245-T425 HydrophobicContact CB-CG2 3.91Å; I245-T425 HydrophobicContact CD1-CG2 3.27Å; I245-T425 HydrophobicContact CG1-CG2 3.91Å; I422-T425 PolarHBondContact O-N 3.25Å; T425-T428 PolarHBondContact O-N 2.84Å; T425-L429 PolarHBondContact O-N 2.75Å
426Y88.4Confident84.6Confident2 Ų224 Ų241%0.00813%0.13CC..Hα-helixtrans-67.6-47.2-177.5-158.8160.7000111V248 V254 D419 I422 T428 L429 L430 F543V248-Y426 HydrophobicContact CG1-CD1 4.3Å; V248-Y426 HydrophobicContact CG1-CD2 3.96Å; V248-Y426 HydrophobicContact CG1-CE1 3.79Å; V248-Y426 HydrophobicContact CG1-CE2 3.41Å; V248-Y426 VanDerWaalsContact CG1-CE2 3.41Å; V248-Y426 HydrophobicContact CG1-CG 4.4Å; V248-Y426 HydrophobicContact CG2-CD1 4.45Å; V248-Y426 HydrophobicContact CG2-CE1 4.16Å; V254-Y426 WeakPolarHBondContact CG2-OH 3.42Å; D419-Y426 HydrophobicContact CB-CD1 4.27Å; I422-Y426 WeakPolarHBondContact O-CB 3.18Å; I422-Y426 PolarHBondContact O-N 3.19Å; Y426-T428 VanDerWaalsContact C-N 3.26Å; Y426-T428 PolarHBondContact O-N 2.79Å; Y426-L429 WeakPolarHBondContact O-CB 3.47Å; Y426-L429 PolarHBondContact O-N 3.31Å; Y426-L430 HydrophobicContact CD2-CD1 4.04Å; Y426-L430 HydrophobicContact CD2-CG 4.15Å; Y426-L430 HydrophobicContact CE2-CD1 3.9Å; Y426-L430 HydrophobicContact CE2-CD2 4.43Å; Y426-L430 HydrophobicContact CE2-CG 4.18Å; Y426-L430 PolarHBondContact O-N 3.06Å; Y426-F543 WeakPolarHBondContact CE1-O 3.35Å; Y426-F543 PolarHBondContact OH-O 3.03Å
427M88.1Confident84.5Confident2 Ų218.8 Ų18.81%0.0111%0.107CC..Hα-helixtrans-60.1-40.4174.4-70.4-58.5-57.300111.6D105 L109 S414 V415 S418 G423 L429 L430 N431D105-M427 HydrophobicContact CB-CB 3.85Å; L109-M427 HydrophobicContact CD1-CG 3.71Å; L109-M427 HydrophobicContact CD1-SD 4.43Å; L109-M427 HydrophobicContact CD2-SD 4.47Å; L109-M427 HydrophobicContact CG-CG 4.32Å; S414-M427 VanDerWaalsContact C-SD 3.58Å; V415-M427 VanDerWaalsContact CA-SD 3.57Å; V415-M427 HydrophobicContact CB-CE 4.32Å; V415-M427 HydrophobicContact CB-SD 4.41Å; V415-M427 HydrophobicContact CG2-CE 3.4Å; V415-M427 HydrophobicContact CG2-SD 4.04Å; S418-M427 VanDerWaalsContact CB-SD 3.57Å; S418-M427 PolarHBondContact OG-SD 2.78Å; G423-M427 WeakPolarHBondContact O-CB 3.3Å; G423-M427 WeakPolarHBondContact O-CG 3.36Å; G423-M427 PolarHBondContact O-N 2.8Å; M427-L429 PolarHBondContact O-N 3.48Å; M427-L430 PolarHBondContact O-N 2.87Å; M427-N431 WeakPolarHBondContact O-CB 3.4Å; M427-N431 VanDerWaalsContact O-CG 3.27Å; M427-N431 PolarHBondContact O-N 3.27Å
428T88.8Confident84.1Confident0 Ų018.7 Ų18.70%011%0.108CC..Hα-helixtrans-63.8-40.4177.1-65.60000112.4K20 A24 I102 G424 T425 Y426 L430 N431 T432K20-T428 HydrophobicContact CB-CG2 4.23Å; K20-T428 HydrophobicContact CD-CG2 3.69Å; K20-T428 HydrophobicContact CG-CG2 3.6Å; A24-T428 HydrophobicContact CB-CG2 3.79Å; I102-T428 HydrophobicContact CG1-CG2 4.01Å; I102-T428 WeakPolarHBondContact CG1-OG1 3.21Å; G424-T428 WeakPolarHBondContact O-CB 3.07Å; G424-T428 PolarHBondContact O-N 3.22Å; G424-T428 PolarHBondContact O-OG1 2.87Å; T425-T428 PolarHBondContact O-N 2.84Å; Y426-T428 VanDerWaalsContact C-N 3.26Å; Y426-T428 PolarHBondContact O-N 2.79Å; T428-L430 PolarHBondContact O-N 2.61Å; T428-N431 PolarHBondContact O-N 3.12Å; T428-T432 VanDerWaalsContact O-CB 3.26Å; T428-T432 WeakPolarHBondContact O-CB 3.46Å; T428-T432 PolarHBondContact O-N 3.44Å; T428-T432 PolarHBondContact O-OG1 2.81Å
429L89.2Confident83.6Confident3 Ų320.9 Ų20.92%0.01613%0.127CC..Hα-helixtrans-54.9-53.2173.8173.465.9000110.8L21 I245 V248 M249 T425 Y426 M427 N431 T432 V433L21-L429 VanDerWaalsContact CD1-CA 3.49Å; L21-L429 HydrophobicContact CD1-CB 3.73Å; L21-L429 HydrophobicContact CD1-CD1 3.88Å; L21-L429 HydrophobicContact CD1-CG 4.42Å; L21-L429 HydrophobicContact CD2-CD1 3.68Å; L21-L429 HydrophobicContact CG-CD1 4.43Å; I245-L429 HydrophobicContact CD1-CB 4.12Å; I245-L429 HydrophobicContact CD1-CD1 4.42Å; I245-L429 HydrophobicContact CG1-CD2 4.05Å; V248-L429 HydrophobicContact CG1-CD2 4.2Å; M249-L429 HydrophobicContact CE-CD1 4.1Å; M249-L429 HydrophobicContact CG-CD1 3.8Å; M249-L429 HydrophobicContact CG-CD2 3.55Å; M249-L429 HydrophobicContact CG-CG 4.31Å; M249-L429 HydrophobicContact SD-CD1 3.61Å; M249-L429 HydrophobicContact SD-CD2 4.43Å; T425-L429 PolarHBondContact O-N 2.75Å; Y426-L429 WeakPolarHBondContact O-CB 3.47Å; Y426-L429 PolarHBondContact O-N 3.31Å; M427-L429 PolarHBondContact O-N 3.48Å; L429-N431 VanDerWaalsContact C-N 3.34Å; L429-N431 PolarHBondContact O-N 3.34Å; L429-T432 PolarHBondContact O-N 3.16Å; L429-V433 WeakPolarHBondContact O-CG2 3.4Å; L429-V433 PolarHBondContact O-N 3Å
430L89.2Confident83.7Confident0 Ų022.9 Ų22.90%014%0.137CC..Hα-helixtrans-66.3-38-177-61.8178.8000111.6Y257 V258 I417 Y426 M427 T428 V433 Q434Y257-L430 HydrophobicContact CD1-CD2 3.99Å; Y257-L430 HydrophobicContact CE1-CD1 4.16Å; Y257-L430 HydrophobicContact CE1-CD2 3.94Å; V258-L430 HydrophobicContact CG2-CD2 4.39Å; I417-L430 HydrophobicContact CD1-CD1 3.97Å; I417-L430 HydrophobicContact CG1-CD1 4.19Å; Y426-L430 HydrophobicContact CD2-CD1 4.04Å; Y426-L430 HydrophobicContact CD2-CG 4.15Å; Y426-L430 HydrophobicContact CE2-CD1 3.9Å; Y426-L430 HydrophobicContact CE2-CD2 4.43Å; Y426-L430 HydrophobicContact CE2-CG 4.18Å; Y426-L430 PolarHBondContact O-N 3.06Å; M427-L430 PolarHBondContact O-N 2.87Å; T428-L430 PolarHBondContact O-N 2.61Å; L430-V433 PolarHBondContact O-N 2.95Å; L430-Q434 WeakPolarHBondContact O-CG 3.42Å; L430-Q434 PolarHBondContact O-N 3Å
431N83.9Confident83.8Confident15 Ų1519.8 Ų19.88%0.0812%0.117CC..Hα-helixtrans-65.6-40.9174.1-74.3-7.1000112.4D105 Q411 M427 T428 L429 Q434 N435D105-N431 PolarHBondContact OD2-ND2 2.85Å; Q411-N431 PolarHBondContact NE2-OD1 3.47Å; Q411-N431 PolarHBondContact OE1-OD1 3.42Å; M427-N431 WeakPolarHBondContact O-CB 3.4Å; M427-N431 VanDerWaalsContact O-CG 3.27Å; M427-N431 PolarHBondContact O-N 3.27Å; T428-N431 PolarHBondContact O-N 3.12Å; L429-N431 VanDerWaalsContact C-N 3.34Å; L429-N431 PolarHBondContact O-N 3.34Å; N431-Q434 WeakPolarHBondContact O-CB 3.08Å; N431-Q434 PolarHBondContact O-N 3.39Å; N431-N435 PolarHBondContact O-N 3.37Å
432T86Confident83.8Confident4 Ų418 Ų183%0.02511%0.105CC..Hα-helixtrans-65-43.1177.8-55.80000110.4S18 L21 T428 L429 Q434 N435 I436S18-T432 WeakPolarHBondContact O-CG2 3.47Å; L21-T432 HydrophobicContact CB-CG2 4.32Å; T428-T432 VanDerWaalsContact O-CB 3.26Å; T428-T432 WeakPolarHBondContact O-CB 3.46Å; T428-T432 PolarHBondContact O-N 3.44Å; T428-T432 PolarHBondContact O-OG1 2.81Å; L429-T432 PolarHBondContact O-N 3.16Å; T432-Q434 VanDerWaalsContact C-N 3.31Å; T432-Q434 PolarHBondContact O-N 3.34Å; T432-N435 PolarHBondContact O-N 3Å; T432-N435 VanDerWaalsContact O-N 3.15Å; T432-I436 HydrophobicContact CG2-CD1 3.87Å; T432-I436 HydrophobicContact CG2-CG1 4.37Å; T432-I436 WeakPolarHBondContact O-CG1 3.44Å; T432-I436 PolarHBondContact O-N 2.85Å
433V87.4Confident83.9Confident16 Ų1622 Ų2210%0.09713%0.13CC..Hα-helixtrans-56.8-45172.6166.90000111V258 I261 I262 L429 L430 N435 I436 A437V258-V433 HydrophobicContact CB-CG1 4.29Å; V258-V433 HydrophobicContact CG1-CG1 3.75Å; V258-V433 HydrophobicContact CG1-CG2 4.23Å; V258-V433 HydrophobicContact CG2-CG1 4.17Å; V258-V433 HydrophobicContact CG2-CG2 4.16Å; I261-V433 HydrophobicContact CB-CG1 4.38Å; I261-V433 HydrophobicContact CG2-CG1 4.07Å; I262-V433 HydrophobicContact CD1-CG1 4.49Å; I262-V433 HydrophobicContact CG1-CG1 4.22Å; L429-V433 WeakPolarHBondContact O-CG2 3.4Å; L429-V433 PolarHBondContact O-N 3Å; L430-V433 PolarHBondContact O-N 2.95Å; V433-N435 VanDerWaalsContact C-N 3.32Å; V433-N435 PolarHBondContact O-N 3.08Å; V433-I436 PolarHBondContact O-N 2.66Å; V433-A437 WeakPolarHBondContact O-CB 3.41Å; V433-A437 PolarHBondContact O-N 3.08Å
434Q84.9Confident84.1Confident4 Ų425.5 Ų25.52%0.01915%0.148CC..Hα-helixtrans-62.9-37.1177.3-73.1-174.922.600113.1I261 K265 L430 N431 T432 G438I261-Q434 HydrophobicContact CD1-CG 4.24Å; I261-Q434 HydrophobicContact CG2-CB 4.42Å; I261-Q434 HydrophobicContact CG2-CG 3.79Å; K265-Q434 WeakPolarHBondContact CD-O 3.07Å; K265-Q434 WeakPolarHBondContact CE-O 3.26Å; K265-Q434 PolarHBondContact NZ-O 3.43Å; L430-Q434 WeakPolarHBondContact O-CG 3.42Å; L430-Q434 PolarHBondContact O-N 3Å; N431-Q434 WeakPolarHBondContact O-CB 3.08Å; N431-Q434 PolarHBondContact O-N 3.39Å; T432-Q434 VanDerWaalsContact C-N 3.31Å; T432-Q434 PolarHBondContact O-N 3.34Å; Q434-G438 PolarHBondContact O-N 3.04Å
435N80.1Confident84.2Confident67 Ų6725.6 Ų25.636%0.35815%0.148SC..Hα-helixtrans-69.9-48.1178.1-72.1-13.1000111.2N431 T432 V433 A437 G438 A439N431-N435 PolarHBondContact O-N 3.37Å; T432-N435 PolarHBondContact O-N 3Å; T432-N435 VanDerWaalsContact O-N 3.15Å; V433-N435 VanDerWaalsContact C-N 3.32Å; V433-N435 PolarHBondContact O-N 3.08Å; N435-A437 VanDerWaalsContact C-N 3.32Å; N435-A437 PolarHBondContact O-N 3.44Å; N435-G438 PolarHBondContact O-N 2.87Å; N435-G438 VanDerWaalsContact O-N 3.11Å; N435-A439 PolarHBondContact O-N 3.06Å
436I83.6Confident84Confident74 Ų7428.7 Ų28.738%0.37916%0.164SC..Hα-helixtrans-57.6-46.5176-69.8171.1000110.5T432 V433 G438 A439 L440T432-I436 HydrophobicContact CG2-CD1 3.87Å; T432-I436 HydrophobicContact CG2-CG1 4.37Å; T432-I436 WeakPolarHBondContact O-CG1 3.44Å; T432-I436 PolarHBondContact O-N 2.85Å; V433-I436 PolarHBondContact O-N 2.66Å; I436-G438 PolarHBondContact O-N 2.73Å; I436-A439 PolarHBondContact O-N 3.41Å; I436-A439 VanDerWaalsContact O-N 3.17Å; I436-L440 HydrophobicContact CG2-CD1 3.65Å; I436-L440 HydrophobicContact CG2-CG 4.04Å; I436-L440 WeakPolarHBondContact O-CB 3.46Å; I436-L440 WeakPolarHBondContact O-CG 3.48Å; I436-L440 PolarHBondContact O-N 2.88Å
437A84.4Confident83.7Confident0 Ų031.6 Ų31.60%019%0.189CC..Hα-helixtrans-58.4-36.7178.200000112.7I261 I262 K265 V433 N435 G441I261-A437 HydrophobicContact CG2-CB 4.19Å; I262-A437 HydrophobicContact CB-CB 4.42Å; I262-A437 HydrophobicContact CG1-CB 4.07Å; K265-A437 HydrophobicContact CB-CB 3.93Å; K265-A437 HydrophobicContact CD-CB 3.94Å; K265-A437 HydrophobicContact CG-CB 4.23Å; V433-A437 WeakPolarHBondContact O-CB 3.41Å; V433-A437 PolarHBondContact O-N 3.08Å; N435-A437 VanDerWaalsContact C-N 3.32Å; N435-A437 PolarHBondContact O-N 3.44Å; A437-G441 PolarHBondContact O-N 3.29Å; A437-G441 VanDerWaalsContact O-N 3.1Å
438G78.9Confident83.6Confident7 Ų735.1 Ų35.17%0.07221%0.207CC..Hα-helixtrans-69.3-45.5174.200000112.9Q434 N435 I436 G441 N442Q434-G438 PolarHBondContact O-N 3.04Å; N435-G438 PolarHBondContact O-N 2.87Å; N435-G438 VanDerWaalsContact O-N 3.11Å; I436-G438 PolarHBondContact O-N 2.73Å; G438-G441 PolarHBondContact O-N 3.3Å; G438-N442 PolarHBondContact O-N 3.24Å
439A77.9Confident83.4Confident55 Ų5535.7 Ų35.746%0.45521%0.21SC..Hα-helixtrans-64.1-43.9179.100000112.3N435 I436 N442 T443N435-A439 PolarHBondContact O-N 3.06Å; I436-A439 PolarHBondContact O-N 3.41Å; I436-A439 VanDerWaalsContact O-N 3.17Å; A439-N442 PolarHBondContact O-N 2.65Å; A439-T443 WeakPolarHBondContact O-CB 3.21Å; A439-T443 PolarHBondContact O-N 3.05Å; A439-T443 PolarHBondContact O-OG1 2.95Å
440L81.9Confident83Confident78 Ų7838 Ų3841%0.40822%0.221SC..Hα-helixtrans-62.4-46.9175.4-71.9176.7000111.2I436 N442 T443 I444I436-L440 HydrophobicContact CG2-CD1 3.65Å; I436-L440 HydrophobicContact CG2-CG 4.04Å; I436-L440 WeakPolarHBondContact O-CB 3.46Å; I436-L440 WeakPolarHBondContact O-CG 3.48Å; I436-L440 PolarHBondContact O-N 2.88Å; L440-N442 VanDerWaalsContact C-N 3.33Å; L440-N442 PolarHBondContact O-N 3.18Å; L440-T443 PolarHBondContact O-N 3.08Å; L440-I444 HydrophobicContact CB-CD1 4.46Å; L440-I444 WeakPolarHBondContact O-CB 3.24Å; L440-I444 VanDerWaalsContact O-CG1 3.24Å; L440-I444 WeakPolarHBondContact O-CG1 3.2Å; L440-I444 PolarHBondContact O-N 3.25Å
441G81.2Confident82.7Confident1 Ų142.6 Ų42.61%0.0125%0.251CS..Hα-helixtrans-57-45177.800000112.6A437 G438 C445A437-G441 PolarHBondContact O-N 3.29Å; A437-G441 VanDerWaalsContact O-N 3.1Å; G438-G441 PolarHBondContact O-N 3.3Å; G441-C445 VanDerWaalsContact O-CB 3.28Å; G441-C445 WeakPolarHBondContact O-CB 3.46Å; G441-C445 PolarHBondContact O-N 2.91Å; G441-C445 VanDerWaalsContact O-N 3.11Å
442N78.4Confident82.9Confident44 Ų4444.6 Ų44.624%0.23526%0.261CS..Hα-helixtrans-64.7-46176.2-175.143.8000112.4S273 G438 A439 L440 C445 L446S273-N442 WeakPolarHBondContact CB-OD1 3.35Å; S273-N442 PolarHBondContact OG-OD1 2.65Å; G438-N442 PolarHBondContact O-N 3.24Å; A439-N442 PolarHBondContact O-N 2.65Å; L440-N442 VanDerWaalsContact C-N 3.33Å; L440-N442 PolarHBondContact O-N 3.18Å; N442-C445 PolarHBondContact O-N 2.9Å; N442-L446 WeakPolarHBondContact O-CG 3.45Å; N442-L446 PolarHBondContact O-N 3.45Å; N442-L446 WeakPolarHBondContact OD1-CD1 3.18Å
443T83.5Confident82.9Confident90 Ų9045 Ų4555%0.55226%0.264SS*.Hα-helixtrans-64-48-177.5-55.20000111.5A439 L440 C445 A447A439-T443 WeakPolarHBondContact O-CB 3.21Å; A439-T443 PolarHBondContact O-N 3.05Å; A439-T443 PolarHBondContact O-OG1 2.95Å; L440-T443 PolarHBondContact O-N 3.08Å; T443-C445 VanDerWaalsContact C-N 3.3Å; T443-C445 PolarHBondContact O-N 3.02Å; T443-A447 VanDerWaalsContact O-CB 3.24Å; T443-A447 WeakPolarHBondContact O-CB 3.49Å; T443-A447 PolarHBondContact O-N 2.89Å
444I82.6Confident82.7Confident73 Ų7348.7 Ų48.737%0.37428%0.282SS..Hα-helixtrans-60.3-44.7178.7-68.2166.7000109.7I266 L440 A447 L448I266-I444 HydrophobicContact CD1-CD1 4.5Å; L440-I444 HydrophobicContact CB-CD1 4.46Å; L440-I444 WeakPolarHBondContact O-CB 3.24Å; L440-I444 VanDerWaalsContact O-CG1 3.24Å; L440-I444 WeakPolarHBondContact O-CG1 3.2Å; L440-I444 PolarHBondContact O-N 3.25Å; I444-A447 PolarHBondContact O-N 2.94Å; I444-L448 HydrophobicContact CG2-CD1 3.79Å; I444-L448 HydrophobicContact CG2-CG 4.42Å; I444-L448 VanDerWaalsContact O-CG 3.29Å; I444-L448 WeakPolarHBondContact O-CG 3.33Å; I444-L448 PolarHBondContact O-N 3.4Å; I444-L448 VanDerWaalsContact O-N 3.09Å
445C83.1Confident82.5Confident2 Ų249.8 Ų49.81%0.01429%0.286CS..Hα-helixtrans-63.8-52.4-178.81750000112.6G270 G441 N442 T443 A447 L448 I449 E512G270-C445 VanDerWaalsContact CA-SG 3.57Å; G270-C445 PolarHBondContact O-SG 3.34Å; G441-C445 VanDerWaalsContact O-CB 3.28Å; G441-C445 WeakPolarHBondContact O-CB 3.46Å; G441-C445 PolarHBondContact O-N 2.91Å; G441-C445 VanDerWaalsContact O-N 3.11Å; N442-C445 PolarHBondContact O-N 2.9Å; T443-C445 VanDerWaalsContact C-N 3.3Å; T443-C445 PolarHBondContact O-N 3.02Å; C445-A447 PolarHBondContact O-N 2.87Å; C445-L448 PolarHBondContact O-N 3.26Å; C445-I449 WeakPolarHBondContact O-CG1 3.28Å; C445-I449 PolarHBondContact O-N 3.12Å; C445-E512 WeakPolarHBondContact CA-OE1 3.42Å; C445-E512 WeakPolarHBondContact CB-OE1 3.46Å; C445-E512 PolarHBondContact SG-OE1 3.17Å; C445-E512 PolarHBondContact SG-OE2 2.82Å; C445-E512 VanDerWaalsContact SG-OE2 3.34Å
446L81.7Confident82.6Confident65 Ų6548.2 Ų48.234%0.3428%0.28SS..Hα-helixtrans-60-33.5178.5-65.9175.9000112.6A274 L277 N442 L448 I449A274-L446 HydrophobicContact CB-CD2 4.19Å; L277-L446 HydrophobicContact CD1-CD1 4.43Å; L277-L446 HydrophobicContact CD1-CD2 3.78Å; N442-L446 WeakPolarHBondContact O-CG 3.45Å; N442-L446 PolarHBondContact O-N 3.45Å; N442-L446 WeakPolarHBondContact OD1-CD1 3.18Å; L446-L448 VanDerWaalsContact C-N 3.35Å; L446-I449 HydrophobicContact CD2-CD1 4.16Å
447A83.6Confident82.3Confident63 Ų6345.8 Ų45.852%0.52127%0.269SS..Hα-helixtrans-70.7-26.8176.400000113.6T443 I444 C445 P451T443-A447 VanDerWaalsContact O-CB 3.24Å; T443-A447 WeakPolarHBondContact O-CB 3.49Å; T443-A447 PolarHBondContact O-N 2.89Å; I444-A447 PolarHBondContact O-N 2.94Å; C445-A447 PolarHBondContact O-N 2.87Å; A447-P451 WeakPolarHBondContact O-CD 3.33Å; A447-P451 WeakPolarHBondContact O-CG 3.46Å
448L85.6Confident81.9Confident76 Ų7648.9 Ų48.940%0.39829%0.288SS..Hα-helixtrans-88.1-26.5-178-72.6174.9000113.8I444 C445 L446 E450 P451 L452 E512I444-L448 HydrophobicContact CG2-CD1 3.79Å; I444-L448 HydrophobicContact CG2-CG 4.42Å; I444-L448 VanDerWaalsContact O-CG 3.29Å; I444-L448 WeakPolarHBondContact O-CG 3.33Å; I444-L448 PolarHBondContact O-N 3.4Å; I444-L448 VanDerWaalsContact O-N 3.09Å; C445-L448 PolarHBondContact O-N 3.26Å; L446-L448 VanDerWaalsContact C-N 3.35Å; L448-E450 VanDerWaalsContact C-N 3.32Å; L448-E450 PolarHBondContact O-N 2.94Å; L448-P451 WeakPolarHBondContact O-CD 3.36Å; L448-L452 HydrophobicContact CB-CD1 4.07Å; L448-L452 VanDerWaalsContact O-CB 3.28Å; L448-L452 WeakPolarHBondContact O-CB 3.28Å; L448-L452 WeakPolarHBondContact O-CD1 3.41Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 3.36Å; L448-E512 HydrophobicContact CB-CG 4.46Å
449I84Confident81.4Confident13 Ų1355 Ų557%0.06731%0.313CS..Hα-helixtrans-54.8-46.9-178.2-68.5171000111.9A274 C445 L446 L452 T453 Y509 E512A274-I449 HydrophobicContact CB-CD1 3.64Å; C445-I449 WeakPolarHBondContact O-CG1 3.28Å; C445-I449 PolarHBondContact O-N 3.12Å; L446-I449 HydrophobicContact CD2-CD1 4.16Å; I449-L452 PolarHBondContact O-N 2.96Å; I449-T453 WeakPolarHBondContact O-CB 3.47Å; I449-T453 PolarHBondContact O-N 3.45Å; I449-T453 PolarHBondContact O-OG1 3.38Å; I449-Y509 HydrophobicContact CD1-CD2 4.5Å; I449-E512 WeakPolarHBondContact CG1-OE2 3.13Å
450E81.9Confident80.6Confident52 Ų5257.8 Ų57.824%0.24332%0.32CS..Hα-helixtrans-70.4-49.2-173.7-177.564.2-160.800112.4L448 L452 T453 R455 L489L448-E450 VanDerWaalsContact C-N 3.32Å; L448-E450 PolarHBondContact O-N 2.94Å; E450-L452 PolarHBondContact O-N 3.4Å; E450-T453 WeakPolarHBondContact O-CB 3.25Å; E450-T453 PolarHBondContact O-N 3.02Å; E450-T453 VanDerWaalsContact O-N 3.08Å; E450-R455 IonicContact OE1-CZ 2.87Å; E450-R455 IonicContact OE1-NH1 3.6Å; E450-R455 PolarHBondContact OE1-NH1 3.41Å; E450-R455 IonicContact OE1-NH2 2.66Å; E450-R455 PolarHBondContact OE1-NH2 3.14Å; E450-R455 IonicContact OE2-CZ 2.73Å; E450-R455 IonicContact OE2-NH1 3.21Å; E450-R455 IonicContact OE2-NH2 3.58Å; E450-R455 PolarHBondContact OE2-NH2 3.46Å; E450-L489 HydrophobicContact CG-CD2 4.21Å
451P82.8Confident79Confident95 Ų9558 Ų5862%0.61734%0.341SS*.Hα-helixtrans-57.8-31.9171-25.833.8000114.6A447 L448 T453A447-P451 WeakPolarHBondContact O-CD 3.33Å; A447-P451 WeakPolarHBondContact O-CG 3.46Å; L448-P451 WeakPolarHBondContact O-CD 3.36Å; P451-T453 VanDerWaalsContact C-N 3.34Å
452L86.5Confident77Confident57 Ų5762.6 Ų62.630%0.29837%0.373SS..Hα-helixtrans-82.7-9.5178.2-68172.8000113.2L448 I449 E450 G508 E512L448-L452 HydrophobicContact CB-CD1 4.07Å; L448-L452 VanDerWaalsContact O-CB 3.28Å; L448-L452 WeakPolarHBondContact O-CB 3.28Å; L448-L452 WeakPolarHBondContact O-CD1 3.41Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 3.36Å; I449-L452 PolarHBondContact O-N 2.96Å; E450-L452 PolarHBondContact O-N 3.4Å; L452-G508 VanDerWaalsContact C-CA 3.46Å; L452-G508 WeakPolarHBondContact O-CA 3.49Å; L452-E512 HydrophobicContact CD1-CB 3.83Å; L452-E512 HydrophobicContact CD1-CG 4.03Å
453T86.4Confident75.1Confident13 Ų1369.2 Ų69.28%0.0840%0.402CS..  trans-83.5121.5-177.6-66.40000111I449 E450 P451 R455 K504 F506 G508I449-T453 WeakPolarHBondContact O-CB 3.47Å; I449-T453 PolarHBondContact O-N 3.45Å; I449-T453 PolarHBondContact O-OG1 3.38Å; E450-T453 WeakPolarHBondContact O-CB 3.25Å; E450-T453 PolarHBondContact O-N 3.02Å; E450-T453 VanDerWaalsContact O-N 3.08Å; P451-T453 VanDerWaalsContact C-N 3.34Å; T453-R455 HydrophobicContact CG2-CG 4.1Å; T453-K504 HydrophobicContact CG2-CD 4.12Å; T453-K504 HydrophobicContact CG2-CG 4.23Å; T453-F506 WeakPolarHBondContact CG2-O 3.3Å; T453-G508 PolarHBondContact OG1-N 2.95Å
454I84Confident72.6Confident94 Ų9472 Ų7248%0.48242%0.42SS..EExtended strand (participates in β ladder)trans-95.1126.5177.8-56.9174000109.4V505 F506I454-V505 PolarHBondContact O-N 2.95Å; I454-F506 HydrophobicContact CB-CB 4.18Å; I454-F506 PolarHBondContact N-O 3.4Å; I454-F506 PolarHBondContact O-N 2.8Å
455R80.7Confident70.1Confident27 Ų2771.1 Ų71.110%0.10243%0.428CS..EExtended strand (participates in β ladder)trans-122.1152.3-179.9-59-173.7173.583.5-5.6111.3E450 T453 T485 C486 V503 K504E450-R455 IonicContact OE1-CZ 2.87Å; E450-R455 IonicContact OE1-NH1 3.6Å; E450-R455 PolarHBondContact OE1-NH1 3.41Å; E450-R455 IonicContact OE1-NH2 2.66Å; E450-R455 PolarHBondContact OE1-NH2 3.14Å; E450-R455 IonicContact OE2-CZ 2.73Å; E450-R455 IonicContact OE2-NH1 3.21Å; E450-R455 IonicContact OE2-NH2 3.58Å; E450-R455 PolarHBondContact OE2-NH2 3.46Å; T453-R455 HydrophobicContact CG2-CG 4.1Å; R455-T485 WeakPolarHBondContact O-CA 3.41Å; R455-C486 WeakPolarHBondContact CB-O 3.36Å; R455-V503 WeakPolarHBondContact CA-O 3.33Å; R455-K504 HydrophobicContact CG-CG 4.36Å
456S80.9Confident67.7Low34 Ų3478 Ų7824%0.23846%0.464CS..EExtended strand (participates in β ladder)trans-138.2150.4174.5-169.90000109.9V503 V505S456-V503 PolarHBondContact N-O 2.92Å; S456-V503 VanDerWaalsContact O-CG2 3.28Å; S456-V503 WeakPolarHBondContact O-CG2 3.05Å; S456-V503 PolarHBondContact O-N 2.95Å; S456-V505 VanDerWaalsContact CB-CG2 3.44Å
457C79Confident65.3Low22 Ų2284 Ų8415%0.14949%0.489CS..EExtended strand (participates in β ladder)trans-81123.2169.9-66.70000109.4C495 E500C457-C495 HydrophobicContact CB-CB 3.8Å; C457-C495 WeakPolarHBondContact CB-SG 3.4Å; C457-C495 WeakPolarHBondContact SG-CA 3.36Å; C457-C495 WeakPolarHBondContact SG-CB 3.27Å; C457-C495 CovalentContact SG-SG 2.04Å; C457-C495 PolarHBondContact SG-SG 3.23Å; C457-E500 HydrophobicContact CB-CB 4.23Å
458T75.2Confident62.9Low65 Ų6586.2 Ų86.240%0.39950%0.497SS..EExtended strand (participates in β ladder)trans-117.8142.5173.6-166.80000110.2E500 S501 V503T458-E500 CarbonylContact O-C 3.57Å; T458-E500 VanDerWaalsContact O-CA 3.31Å; T458-E500 WeakPolarHBondContact O-CA 3.49Å; T458-S501 PolarHBondContact N-O 3.35Å; T458-S501 PolarHBondContact O-N 3.42Å; T458-V503 HydrophobicContact CG2-CB 4.17Å; T458-V503 HydrophobicContact CG2-CG1 3.56Å; T458-V503 HydrophobicContact CG2-CG2 3.49Å; T458-V503 VanDerWaalsContact CG2-CG2 3.49Å
459K69.1Low60.3Low136 Ų13690.4 Ų90.459%0.59152%0.519SS*.EExtended strand (participates in β ladder)trans-73.2130.3172.1-71.3-176.4178.6-178.60108.7G461 E500K459-G461 PolarHBondContact O-N 2.84Å; K459-E500 HydrophobicContact CG-CG 3.69Å
460N59.9Low58.1Low113 Ų11393.5 Ų93.560%0.60455%0.547SS*.  trans-65.1107.9171.9-82.7-2.1000109S462 T499 S501N460-S462 PolarHBondContact O-N 3.32Å; N460-T499 PolarHBondContact N-O 3.23Å; N460-S501 PolarHBondContact OD1-OG 3.35Å
461G48.6Very low55.8Low83 Ų8396 Ų9686%0.85657%0.571SS**SBendtrans-7292.9177.900000111.9K459K459-G461 PolarHBondContact O-N 2.84Å
462S40Very low53.5Low97 Ų9793.8 Ų93.868%0.67856%0.564SS**  trans-170.970.4138.8-162.50000110.4N460N460-S462 PolarHBondContact O-N 3.32Å
463H38.5Very low51.2Low183 Ų18396.1 Ų96.185%0.84758%0.581SS**  trans-132.884.1151.2-79.7-82000107.1G465H463-G465 PolarHBondContact O-N 3.49Å
464T31.1Very low48.8Very low149 Ų149102 Ų10291%0.91461%0.606SS**  trans-65.985153.447.70000106.8
465G30.2Very low46.8Very low54 Ų54102.7 Ų102.756%0.55761%0.61SS**  trans-167.198.2-175.300000111.5H463H463-G465 PolarHBondContact O-N 3.49Å
466I31.7Very low44.7Very low148 Ų148109.4 Ų109.476%0.75965%0.648SS**  trans74.3101.3160.1-44.2-179.6000115.3T468I466-T468 HydrophobicContact CG2-CG2 3.74Å; I466-T468 PolarHBondContact O-N 3.17Å
467H30.9Very low42.8Very low190 Ų190111 Ų11188%0.8867%0.67SS**  trans-53.5104.6150.1-79.6-108.2000109.1
468T33.9Very low40.7Very low109 Ų109113.7 Ų113.767%0.66969%0.689SS**  trans-114.1123153.455.90000108I466 A470I466-T468 HydrophobicContact CG2-CG2 3.74Å; I466-T468 PolarHBondContact O-N 3.17Å; T468-A470 PolarHBondContact O-N 3.35Å
469N31.1Very low38.9Very low164 Ų164115.6 Ų115.688%0.87770%0.696SS**  trans-52.998.1167.7-63.8-30000109.2
470A36.9Very low37.5Very low78 Ų78112.9 Ų112.965%0.64569%0.691SS**  trans-128.593.9165.400000105.2T468T468-A470 PolarHBondContact O-N 3.35Å
471S33.7Very low36.4Very low106 Ų106113.4 Ų113.474%0.74170%0.698SS**  57.698.197.2-54.60000109.9T473S471-T473 PolarHBondContact O-N 3.27Å; S471-T473 VanDerWaalsContact O-N 3.1Å
472G35.1Very low36Very low47 Ų47117.7 Ų117.749%0.48569%0.693SS.*  trans-50.1120.3165.600000108.8F474G472-F474 WeakPolarHBondContact O-CD2 3.3Å; G472-F474 PolarHBondContact O-N 2.89Å; G472-F474 VanDerWaalsContact O-N 3.13Å
473T37.8Very low36.4Very low106 Ų106119.9 Ų119.965%0.6570%0.697SS**  trans-71.9105.6174.712.70000107.9S471 L475S471-T473 PolarHBondContact O-N 3.27Å; S471-T473 VanDerWaalsContact O-N 3.1Å; T473-L475 PolarHBondContact O-N 3.46Å
474F36.5Very low37.2Very low136 Ų136114.2 Ų114.260%0.59668%0.676SS**  trans-72.1115.9170.4-78-96.4000109.1G472G472-F474 WeakPolarHBondContact O-CD2 3.3Å; G472-F474 PolarHBondContact O-N 2.89Å; G472-F474 VanDerWaalsContact O-N 3.13Å
475L42.1Very low38.6Very low109 Ų109111.5 Ų111.557%0.57166%0.659SS**BIsolated β-bridgetrans-102117.2157.7-82.4163.3000106.7T473 G477T473-L475 PolarHBondContact O-N 3.46Å; L475-G477 PolarHBondContact O-N 3.18Å
476N36.6Very low40.6Very low168 Ų168109.1 Ų109.190%0.89863%0.634SS**THydrogen-bonded Turntrans52.748.3-179.7-65.3-12.6000115.3S478N476-S478 VanDerWaalsContact C-N 3.28Å; N476-S478 PolarHBondContact O-N 3.13Å; N476-S478 VanDerWaalsContact O-N 3.16Å
477G40.8Very low42Very low68 Ų68107.1 Ų107.170%0.70162%0.621SS**THydrogen-bonded Turntrans71.212.1165.400000116.4L475L475-G477 PolarHBondContact O-N 3.18Å
478S34.5Very low43.2Very low78 Ų7899.9 Ų99.955%0.54559%0.594SS.*BIsolated β-bridgetrans-129.1133.8173.6-157.90000111.8N476 V480N476-S478 VanDerWaalsContact C-N 3.28Å; N476-S478 PolarHBondContact O-N 3.13Å; N476-S478 VanDerWaalsContact O-N 3.16Å; S478-V480 PolarHBondContact O-N 3.43Å; S478-V480 VanDerWaalsContact O-N 3.1Å
479L38.5Very low44.1Very low105 Ų105100.7 Ų100.755%0.5559%0.594SS.*  trans-63.7105.7171.8-173.878.2000108.5T481L479-T481 VanDerWaalsContact C-N 3.32Å; L479-T481 HydrophobicContact CD2-CG2 3.92Å; L479-T481 HydrophobicContact CG-CG2 4.18Å; L479-T481 PolarHBondContact O-N 3.44Å
480V39.2Very low44.9Very low79 Ų7999.9 Ų99.948%0.47959%0.589SS.*  trans-79.384.9179.5-175.30000109.1S478 K482S478-V480 PolarHBondContact O-N 3.43Å; S478-V480 VanDerWaalsContact O-N 3.1Å; V480-K482 HydrophobicContact CG1-CB 4.37Å
481T36.6Very low45.5Very low124 Ų12499.6 Ų99.676%0.76159%0.594SS**  trans-87.224.5163.942.90000112.4L479L479-T481 VanDerWaalsContact C-N 3.32Å; L479-T481 HydrophobicContact CD2-CG2 3.92Å; L479-T481 HydrophobicContact CG-CG2 4.18Å; L479-T481 PolarHBondContact O-N 3.44Å
482K40.6Very low46.3Very low173 Ų17399.7 Ų99.775%0.75259%0.586SS**SBendtrans-103.7127.9175.9-84.4-175.2174.4179.30110.5V480 T484V480-K482 HydrophobicContact CG1-CB 4.37Å; K482-T484 PolarHBondContact O-N 3.11Å
483N49.1Very low47.4Very low144 Ų144102 Ų10277%0.7759%0.588SS**  trans-32.3100.2165-76-13.2000110.6T485N483-T485 PolarHBondContact O-N 3.21Å; N483-T485 VanDerWaalsContact O-N 3.07Å
484T53.4Low48.5Very low63 Ų63101.5 Ų101.539%0.38758%0.581SS.*  trans-76.6101.7179.9-1.30000107K482 C486 I496K482-T484 PolarHBondContact O-N 3.11Å; T484-C486 PolarHBondContact O-N 3.26Å; T484-I496 HydrophobicContact CG2-CD1 3.98Å
485T62.2Low49.9Very low92 Ų9295.8 Ų95.856%0.56456%0.557SS**PPolyproline II helixtrans-76.1116.4177.452.30000108.9R455 N483R455-T485 WeakPolarHBondContact O-CA 3.41Å; N483-T485 PolarHBondContact O-N 3.21Å; N483-T485 VanDerWaalsContact O-N 3.07Å
486C71Confident51.1Low5 Ų594.6 Ų94.63%0.03455%0.551CS.*PPolyproline II helixtrans-82.4133.9175.149.80000110.9R455 T484 C502R455-C486 WeakPolarHBondContact CB-O 3.36Å; T484-C486 PolarHBondContact O-N 3.26Å; C486-C502 HydrophobicContact CB-CB 3.77Å; C486-C502 WeakPolarHBondContact CB-SG 3.28Å; C486-C502 WeakPolarHBondContact SG-CA 3.21Å; C486-C502 WeakPolarHBondContact SG-CB 3.23Å; C486-C502 CovalentContact SG-SG 2.02Å; C486-C502 PolarHBondContact SG-SG 3.19Å
487H62.5Low52.4Low106 Ų10689.5 Ų89.549%0.49152%0.523SS..PPolyproline II helixtrans-103.6117.5169.8-97.2-88.6000109L489H487-L489 VanDerWaalsContact C-N 3.29Å; H487-L489 PolarHBondContact O-N 3.35Å
488A55.2Low53.4Low38 Ų3891.7 Ų91.731%0.31454%0.535SS..  trans-86.98.4-177.300000113.9D490 G491A488-D490 PolarHBondContact O-N 3.25Å; A488-D490 VanDerWaalsContact O-N 3.08Å; A488-G491 PolarHBondContact O-N 3.38Å
489L52.4Low55Low125 Ų12592.5 Ų92.565%0.65454%0.537SS*.THydrogen-bonded Turntrans-60.2-23.2-170.6-83.6161.8000113.9E450 H487E450-L489 HydrophobicContact CG-CD2 4.21Å; H487-L489 VanDerWaalsContact C-N 3.29Å; H487-L489 PolarHBondContact O-N 3.35Å
490D47.4Very low56.3Low147 Ų14789 Ų8979%0.78652%0.518SS*.THydrogen-bonded Turntrans-102.18.5177.7-71.7-28.5000114.3A488 N492A488-D490 PolarHBondContact O-N 3.25Å; A488-D490 VanDerWaalsContact O-N 3.08Å; D490-N492 HydrophobicContact CB-CB 4.46Å; D490-N492 PolarHBondContact O-N 3.22Å
491G50.2Low57.8Low72 Ų7286.6 Ų86.674%0.74250%0.504SS*.SBendtrans64.96.2-172.100000113.8A488A488-G491 PolarHBondContact O-N 3.38Å
492N50Low59.7Low108 Ų10882 Ų8258%0.57848%0.477SS*.  trans-98.5121177.2-145.512.2000108.8D490 N494D490-N492 HydrophobicContact CB-CB 4.46Å; D490-N492 PolarHBondContact O-N 3.22Å; N492-N494 VanDerWaalsContact C-N 3.32Å; N492-N494 PolarHBondContact O-N 2.92Å; N492-N494 PolarHBondContact O-OD1 2.88Å
493N58.8Low61.4Low97 Ų9776.3 Ų76.352%0.51946%0.457SS..  trans-73.489.8173.5-78.2-19000108C495N493-C495 PolarHBondContact O-N 3.02Å
494N60.1Low62.8Low95 Ų9573.7 Ų73.751%0.50844%0.438SS..  trans-69.726.2177.8-63.5-10.4000113.3N492N492-N494 VanDerWaalsContact C-N 3.32Å; N492-N494 PolarHBondContact O-N 2.92Å; N492-N494 PolarHBondContact O-OD1 2.88Å
495C67.1Low64.1Low15 Ų1575.1 Ų75.110%0.10145%0.447CS..  trans-72.7137.7169.4-63.80000108.8C457 N493 N497 E500C457-C495 HydrophobicContact CB-CB 3.8Å; C457-C495 WeakPolarHBondContact CB-SG 3.4Å; C457-C495 WeakPolarHBondContact SG-CA 3.36Å; C457-C495 WeakPolarHBondContact SG-CB 3.27Å; C457-C495 CovalentContact SG-SG 2.04Å; C457-C495 PolarHBondContact SG-SG 3.23Å; N493-C495 PolarHBondContact O-N 3.02Å; C495-N497 PolarHBondContact O-N 2.84Å; C495-E500 HydrophobicContact CB-CB 3.65Å
496I66.5Low65.2Low85 Ų8575.4 Ų75.444%0.43644%0.441SS..SBendtrans-63.3-35.4-170.1-63.4171.3000110.7T484T484-I496 HydrophobicContact CG2-CD1 3.98Å
497N63.7Low65.9Low60 Ų6076 Ų7632%0.32144%0.443SS..SBendtrans-104.2136-179-61.4-41.4000111C495 T499 E500C495-N497 PolarHBondContact O-N 2.84Å; N497-T499 PolarHBondContact O-N 3.27Å; N497-E500 HydrophobicContact CB-CG 4.01Å; N497-E500 PolarHBondContact ND2-OE1 3.07Å; N497-E500 WeakPolarHBondContact O-CB 3.31Å; N497-E500 PolarHBondContact O-N 3.05Å
498A62.9Low67Low115 Ų11571 Ų7195%0.9542%0.42SS*.THydrogen-bonded Turntrans-59.9-16.2175.500000113.9
499T66.9Low68.6Low95 Ų9569.2 Ų69.258%0.58341%0.405SS*.THydrogen-bonded Turntrans-89.3-2.1176.555.20000113.8N460 N497N460-T499 PolarHBondContact N-O 3.23Å; N497-T499 PolarHBondContact O-N 3.27Å
500E67.6Low70.3Confident31 Ų3165.5 Ų65.515%0.14538%0.383CS..EExtended strand (participates in β ladder)trans-97.9133.1179.3-72.1166.5-168.800111C457 T458 K459 C495 N497C457-E500 HydrophobicContact CB-CB 4.23Å; T458-E500 CarbonylContact O-C 3.57Å; T458-E500 VanDerWaalsContact O-CA 3.31Å; T458-E500 WeakPolarHBondContact O-CA 3.49Å; K459-E500 HydrophobicContact CG-CG 3.69Å; C495-E500 HydrophobicContact CB-CB 3.65Å; N497-E500 HydrophobicContact CB-CG 4.01Å; N497-E500 PolarHBondContact ND2-OE1 3.07Å; N497-E500 WeakPolarHBondContact O-CB 3.31Å; N497-E500 PolarHBondContact O-N 3.05Å
501S69.5Low72.2Confident28 Ų2861.5 Ų61.520%0.19636%0.361CS..EExtended strand (participates in β ladder)trans-103.7136.3172.663.50000109.9T458 N460 V503T458-S501 PolarHBondContact N-O 3.35Å; T458-S501 PolarHBondContact O-N 3.42Å; N460-S501 PolarHBondContact OD1-OG 3.35Å; S501-V503 PolarHBondContact O-N 3.23Å
502C75.8Confident74Confident28 Ų2858.4 Ų58.419%0.18933%0.327CS..EExtended strand (participates in β ladder)trans-75.3107.2175-177.70000109.1C486C486-C502 HydrophobicContact CB-CB 3.77Å; C486-C502 WeakPolarHBondContact CB-SG 3.28Å; C486-C502 WeakPolarHBondContact SG-CA 3.21Å; C486-C502 WeakPolarHBondContact SG-CB 3.23Å; C486-C502 CovalentContact SG-SG 2.02Å; C486-C502 PolarHBondContact SG-SG 3.19Å
503V77.2Confident75.8Confident53 Ų5353.4 Ų53.432%0.32130%0.3SS..EExtended strand (participates in β ladder)trans-107.1140.5-178.8-66.60000111.1R455 S456 T458 S501 V505R455-V503 WeakPolarHBondContact CA-O 3.33Å; S456-V503 PolarHBondContact N-O 2.92Å; S456-V503 VanDerWaalsContact O-CG2 3.28Å; S456-V503 WeakPolarHBondContact O-CG2 3.05Å; S456-V503 PolarHBondContact O-N 2.95Å; T458-V503 HydrophobicContact CG2-CB 4.17Å; T458-V503 HydrophobicContact CG2-CG1 3.56Å; T458-V503 HydrophobicContact CG2-CG2 3.49Å; T458-V503 VanDerWaalsContact CG2-CG2 3.49Å; S501-V503 PolarHBondContact O-N 3.23Å; V503-V505 PolarHBondContact O-N 3.41Å
504K79.1Confident77.2Confident89 Ų8953.7 Ų53.739%0.38730%0.302SS..EExtended strand (participates in β ladder)trans-71.5112.5171.3-65.6-168.6-72.2172.50108.3E281 T453 R455 D507E281-K504 IonicContact OE2-NZ 3.26Å; E281-K504 PolarHBondContact OE2-NZ 3.19Å; T453-K504 HydrophobicContact CG2-CD 4.12Å; T453-K504 HydrophobicContact CG2-CG 4.23Å; R455-K504 HydrophobicContact CG-CG 4.36Å; K504-D507 IonicContact NZ-OD2 2.88Å; K504-D507 PolarHBondContact NZ-OD2 3.07Å
505V81Confident78.6Confident94 Ų9451.3 Ų51.357%0.5730%0.295SS*.EExtended strand (participates in β ladder)trans-82.1-46.1175.5178.80000109.6I454 S456 V503I454-V505 PolarHBondContact O-N 2.95Å; S456-V505 VanDerWaalsContact CB-CG2 3.44Å; V503-V505 PolarHBondContact O-N 3.41Å
506F84.6Confident79.6Confident98 Ų9851.7 Ų51.743%0.4330%0.296SS..EExtended strand (participates in β ladder)trans-134.6124177.2-148.6-86.2000109.9T453 I454 I511T453-F506 WeakPolarHBondContact CG2-O 3.3Å; I454-F506 HydrophobicContact CB-CB 4.18Å; I454-F506 PolarHBondContact N-O 3.4Å; I454-F506 PolarHBondContact O-N 2.8Å; F506-I511 HydrophobicContact CD1-CD1 3.85Å; F506-I511 HydrophobicContact CD1-CG1 3.75Å; F506-I511 HydrophobicContact CE1-CD1 4.05Å; F506-I511 HydrophobicContact CE1-CG1 3.47Å; F506-I511 VanDerWaalsContact CE1-CG1 3.47Å
507D85.5Confident80.6Confident17 Ų1748.4 Ų48.49%0.09128%0.279CS..  trans-82.4123.1178.4-158.7-55.7000109.5K278 K504 Y509 Y510K278-D507 WeakPolarHBondContact CE-OD1 3.46Å; K278-D507 VanDerWaalsContact NZ-CG 3.26Å; K278-D507 IonicContact NZ-OD1 3.18Å; K278-D507 PolarHBondContact NZ-OD1 3.45Å; K278-D507 IonicContact NZ-OD2 2.84Å; K278-D507 PolarHBondContact NZ-OD2 3.2Å; K504-D507 IonicContact NZ-OD2 2.88Å; K504-D507 PolarHBondContact NZ-OD2 3.07Å; D507-Y509 PolarHBondContact O-N 3.27Å; D507-Y509 VanDerWaalsContact O-N 3.07Å; D507-Y509 VanDerWaalsContact OD1-CB 3.28Å; D507-Y509 WeakPolarHBondContact OD1-CB 3.33Å; D507-Y509 PolarHBondContact OD1-N 3.43Å; D507-Y510 HydrophobicContact CB-CD2 3.84Å; D507-Y510 HydrophobicContact CB-CE2 3.85Å; D507-Y510 PolarHBondContact O-N 3.23Å
508G86.4Confident81.9Confident0 Ų049 Ų490%029%0.285CS..Hα-helixtrans-58.7-23.4-176.800000113.3L452 T453 Y510 I511 E512L452-G508 VanDerWaalsContact C-CA 3.46Å; L452-G508 WeakPolarHBondContact O-CA 3.49Å; T453-G508 PolarHBondContact OG1-N 2.95Å; G508-Y510 VanDerWaalsContact C-N 3.27Å; G508-Y510 PolarHBondContact O-N 3.5Å; G508-I511 PolarHBondContact O-N 3.21Å; G508-E512 WeakPolarHBondContact O-CB 3.4Å; G508-E512 PolarHBondContact O-N 3.05Å
509Y87.5Confident83.3Confident1 Ų147.6 Ų47.60%0.00426%0.26CS..Hα-helixtrans-51.2-43.3171.9171.3-92.7000113A274 T275 K278 L338 I449 D507 E512 V513A274-Y509 HydrophobicContact CB-CD2 3.9Å; A274-Y509 HydrophobicContact CB-CE2 3.89Å; T275-Y509 PolarHBondContact OG1-OH 2.88Å; K278-Y509 HydrophobicContact CG-CD2 4.1Å; K278-Y509 HydrophobicContact CG-CG 4.22Å; L338-Y509 HydrophobicContact CD1-CD1 3.98Å; L338-Y509 HydrophobicContact CD1-CE1 3.21Å; L338-Y509 HydrophobicContact CD1-CE2 4.27Å; L338-Y509 WeakPolarHBondContact CD1-OH 3.47Å; I449-Y509 HydrophobicContact CD1-CD2 4.5Å; D507-Y509 PolarHBondContact O-N 3.27Å; D507-Y509 VanDerWaalsContact O-N 3.07Å; D507-Y509 VanDerWaalsContact OD1-CB 3.28Å; D507-Y509 WeakPolarHBondContact OD1-CB 3.33Å; D507-Y509 PolarHBondContact OD1-N 3.43Å; Y509-E512 PolarHBondContact O-N 3.37Å; Y509-V513 HydrophobicContact CD1-CG2 4.15Å; Y509-V513 HydrophobicContact CD2-CG2 4.04Å; Y509-V513 HydrophobicContact CE1-CG2 3.77Å; Y509-V513 HydrophobicContact CE2-CG2 3.69Å; Y509-V513 HydrophobicContact CG-CG2 4.26Å; Y509-V513 WeakPolarHBondContact O-CB 3.35Å; Y509-V513 WeakPolarHBondContact O-CG2 3.42Å; Y509-V513 PolarHBondContact O-N 3.35Å
510Y89Confident84.4Confident47 Ų4743 Ų4318%0.18423%0.232CC..Hα-helixtrans-69.8-39.3-177.1-62.3-66.1000112.2I335 L338 H339 D507 G508 E512 L514I335-Y510 HydrophobicContact CB-CD1 4.36Å; I335-Y510 HydrophobicContact CG1-CD1 4.26Å; I335-Y510 HydrophobicContact CG2-CD1 3.78Å; I335-Y510 HydrophobicContact CG2-CE1 4.02Å; L338-Y510 HydrophobicContact CB-CE1 4.39Å; H339-Y510 WeakPolarHBondContact CA-OH 3.37Å; H339-Y510 HydrophobicContact CB-CE1 4.49Å; H339-Y510 PolarHBondContact N-OH 2.78Å; D507-Y510 HydrophobicContact CB-CD2 3.84Å; D507-Y510 HydrophobicContact CB-CE2 3.85Å; D507-Y510 PolarHBondContact O-N 3.23Å; G508-Y510 VanDerWaalsContact C-N 3.27Å; G508-Y510 PolarHBondContact O-N 3.5Å; Y510-E512 VanDerWaalsContact C-N 3.34Å; Y510-L514 WeakPolarHBondContact O-CB 3.42Å; Y510-L514 PolarHBondContact O-N 3.36Å
511I87.3Confident85.6Confident64 Ų6445 Ų4533%0.32824%0.244SC..Hα-helixtrans-63.4-46.7176.1-56.5-177.4000109.3F506 G508 L514 A515F506-I511 HydrophobicContact CD1-CD1 3.85Å; F506-I511 HydrophobicContact CD1-CG1 3.75Å; F506-I511 HydrophobicContact CE1-CD1 4.05Å; F506-I511 HydrophobicContact CE1-CG1 3.47Å; F506-I511 VanDerWaalsContact CE1-CG1 3.47Å; G508-I511 PolarHBondContact O-N 3.21Å; I511-L514 PolarHBondContact O-N 3.06Å; I511-A515 WeakPolarHBondContact O-CB 3.4Å; I511-A515 PolarHBondContact O-N 3.32Å
512E87.8Confident86.8Confident7 Ų748.3 Ų48.33%0.03326%0.258CS..Hα-helixtrans-65.2-47.8-176.1-160.9-161.7153.700112.2C445 L448 I449 L452 G508 Y509 Y510 L514 A515 L516C445-E512 WeakPolarHBondContact CA-OE1 3.42Å; C445-E512 WeakPolarHBondContact CB-OE1 3.46Å; C445-E512 PolarHBondContact SG-OE1 3.17Å; C445-E512 PolarHBondContact SG-OE2 2.82Å; C445-E512 VanDerWaalsContact SG-OE2 3.34Å; L448-E512 HydrophobicContact CB-CG 4.46Å; I449-E512 WeakPolarHBondContact CG1-OE2 3.13Å; L452-E512 HydrophobicContact CD1-CB 3.83Å; L452-E512 HydrophobicContact CD1-CG 4.03Å; G508-E512 WeakPolarHBondContact O-CB 3.4Å; G508-E512 PolarHBondContact O-N 3.05Å; Y509-E512 PolarHBondContact O-N 3.37Å; Y510-E512 VanDerWaalsContact C-N 3.34Å; E512-L514 VanDerWaalsContact C-N 3.28Å; E512-L514 PolarHBondContact O-N 3.29Å; E512-A515 PolarHBondContact O-N 2.74Å; E512-L516 HydrophobicContact CG-CD1 4.31Å; E512-L516 WeakPolarHBondContact O-CG 3.25Å; E512-L516 PolarHBondContact O-N 3.3Å
513V87.5Confident87.7Confident2 Ų248.8 Ų48.81%0.01226%0.258CS..Hα-helixtrans-56.2-47.2176.4175.70000109.7T271 I335 Y509 A515 L516 I517T271-V513 HydrophobicContact CG2-CB 4.07Å; T271-V513 HydrophobicContact CG2-CG1 4.02Å; T271-V513 HydrophobicContact CG2-CG2 3.52Å; I335-V513 HydrophobicContact CD1-CB 4.2Å; I335-V513 HydrophobicContact CD1-CG1 3.69Å; I335-V513 HydrophobicContact CG1-CB 4.41Å; I335-V513 HydrophobicContact CG1-CG1 3.94Å; Y509-V513 HydrophobicContact CD1-CG2 4.15Å; Y509-V513 HydrophobicContact CD2-CG2 4.04Å; Y509-V513 HydrophobicContact CE1-CG2 3.77Å; Y509-V513 HydrophobicContact CE2-CG2 3.69Å; Y509-V513 HydrophobicContact CG-CG2 4.26Å; Y509-V513 WeakPolarHBondContact O-CB 3.35Å; Y509-V513 WeakPolarHBondContact O-CG2 3.42Å; Y509-V513 PolarHBondContact O-N 3.35Å; V513-A515 PolarHBondContact O-N 2.89Å; V513-L516 PolarHBondContact O-N 2.97Å; V513-I517 HydrophobicContact CG1-CD1 3.71Å; V513-I517 VanDerWaalsContact O-CD1 3.24Å; V513-I517 WeakPolarHBondContact O-CD1 3.42Å; V513-I517 WeakPolarHBondContact O-CG1 3.46Å; V513-I517 PolarHBondContact O-N 2.97Å
514L88Confident88.4Confident104 Ų10447.7 Ų47.755%0.54525%0.25SC..Hα-helixtrans-62-43.5179.1-17267.2000112.1Y510 I511 E512 I517 V518Y510-L514 WeakPolarHBondContact O-CB 3.42Å; Y510-L514 PolarHBondContact O-N 3.36Å; I511-L514 PolarHBondContact O-N 3.06Å; E512-L514 VanDerWaalsContact C-N 3.28Å; E512-L514 PolarHBondContact O-N 3.29Å; L514-I517 PolarHBondContact O-N 3.45Å; L514-V518 WeakPolarHBondContact O-CG2 3.29Å; L514-V518 PolarHBondContact O-N 3.16Å
515A89Confident89.1Confident45 Ų4547.8 Ų47.837%0.37226%0.257SS..Hα-helixtrans-62.6-45.9177.500000111.9I511 E512 V513 I517 V518 I519I511-A515 WeakPolarHBondContact O-CB 3.4Å; I511-A515 PolarHBondContact O-N 3.32Å; E512-A515 PolarHBondContact O-N 2.74Å; V513-A515 PolarHBondContact O-N 2.89Å; A515-I517 VanDerWaalsContact C-N 3.29Å; A515-I517 PolarHBondContact O-N 3.37Å; A515-V518 PolarHBondContact O-N 3.25Å; A515-I519 WeakPolarHBondContact O-CB 3.1Å; A515-I519 VanDerWaalsContact O-CG1 3.25Å; A515-I519 WeakPolarHBondContact O-CG1 3.27Å; A515-I519 PolarHBondContact O-N 3.48Å
516L88.9Confident89.8Confident23 Ų2353.4 Ų53.412%0.1227%0.268CS..Hα-helixtrans-63.8-33.7177.8-70.1175.7000112.4T271 E512 V513 G520T271-L516 HydrophobicContact CG2-CD1 4.29Å; E512-L516 HydrophobicContact CG-CD1 4.31Å; E512-L516 WeakPolarHBondContact O-CG 3.25Å; E512-L516 PolarHBondContact O-N 3.3Å; V513-L516 PolarHBondContact O-N 2.97Å; L516-G520 WeakPolarHBondContact O-CA 3.35Å; L516-G520 PolarHBondContact O-N 3.33Å
517I87Confident90.3Very high16 Ų1650.8 Ų50.88%0.08226%0.257CS..Hα-helixtrans-65.1-51.7172.5-67.6154.8000110.5L328 C332 V513 L514 A515 I519 G520 L521L328-I517 HydrophobicContact CD1-CG1 4.5Å; L328-I517 HydrophobicContact CD2-CG2 4.22Å; L328-I517 WeakPolarHBondContact CD2-O 3.37Å; L328-I517 HydrophobicContact CG-CB 4.44Å; L328-I517 HydrophobicContact CG-CG1 4.28Å; L328-I517 HydrophobicContact CG-CG2 4.28Å; C332-I517 HydrophobicContact CB-CD1 4.35Å; C332-I517 WeakPolarHBondContact SG-CD1 3.43Å; V513-I517 HydrophobicContact CG1-CD1 3.71Å; V513-I517 VanDerWaalsContact O-CD1 3.24Å; V513-I517 WeakPolarHBondContact O-CD1 3.42Å; V513-I517 WeakPolarHBondContact O-CG1 3.46Å; V513-I517 PolarHBondContact O-N 2.97Å; L514-I517 PolarHBondContact O-N 3.45Å; A515-I517 VanDerWaalsContact C-N 3.29Å; A515-I517 PolarHBondContact O-N 3.37Å; I517-I519 VanDerWaalsContact C-N 3.34Å; I517-I519 PolarHBondContact O-N 2.92Å; I517-G520 PolarHBondContact O-N 3.41Å; I517-G520 VanDerWaalsContact O-N 3.16Å; I517-L521 HydrophobicContact CG2-CD1 4.04Å; I517-L521 HydrophobicContact CG2-CG 4.34Å; I517-L521 WeakPolarHBondContact O-CG 3.42Å; I517-L521 PolarHBondContact O-N 3.43Å
518V91.1Very high90.8Very high73 Ų7350 Ų5044%0.44225%0.252SS..Hα-helixtrans-60.2-47-178.7173.10000110.6L514 A515 G520 L521 I522L514-V518 WeakPolarHBondContact O-CG2 3.29Å; L514-V518 PolarHBondContact O-N 3.16Å; A515-V518 PolarHBondContact O-N 3.25Å; V518-G520 VanDerWaalsContact C-N 3.34Å; V518-G520 PolarHBondContact O-N 3.22Å; V518-L521 PolarHBondContact O-N 2.02Å; V518-I522 HydrophobicContact CG1-CD1 3.98Å; V518-I522 WeakPolarHBondContact O-CG1 3.41Å; V518-I522 PolarHBondContact O-N 3.02Å; V518-I522 VanDerWaalsContact O-N 3.08Å
519I92.1Very high91.1Very high84 Ų8453.5 Ų53.543%0.43127%0.266SS..Hα-helixtrans-60.6-45.3175.8-66.4165.8000110.3A515 I517 L521 I522 L523A515-I519 WeakPolarHBondContact O-CB 3.1Å; A515-I519 VanDerWaalsContact O-CG1 3.25Å; A515-I519 WeakPolarHBondContact O-CG1 3.27Å; A515-I519 PolarHBondContact O-N 3.48Å; I517-I519 VanDerWaalsContact C-N 3.34Å; I517-I519 PolarHBondContact O-N 2.92Å; I519-L521 PolarHBondContact O-N 3.05Å; I519-I522 PolarHBondContact O-N 3.27Å; I519-L523 HydrophobicContact CG2-CD1 3.79Å; I519-L523 HydrophobicContact CG2-CG 4.23Å; I519-L523 WeakPolarHBondContact O-CB 3.35Å; I519-L523 WeakPolarHBondContact O-CG 3.23Å; I519-L523 PolarHBondContact O-N 2.93Å
520G91.5Very high91.5Very high0 Ų056.4 Ų56.40%029%0.285CS..Hα-helixtrans-61.6-38.9179.400000113.4L516 I517 V518 F524L516-G520 WeakPolarHBondContact O-CA 3.35Å; L516-G520 PolarHBondContact O-N 3.33Å; I517-G520 PolarHBondContact O-N 3.41Å; I517-G520 VanDerWaalsContact O-N 3.16Å; V518-G520 VanDerWaalsContact C-N 3.34Å; V518-G520 PolarHBondContact O-N 3.22Å; G520-F524 VanDerWaalsContact O-CB 3.23Å; G520-F524 WeakPolarHBondContact O-CB 3.18Å; G520-F524 PolarHBondContact O-N 2.04Å
521L91.8Very high91.8Very high72 Ų7255 Ų5538%0.37728%0.282SS..Hα-helixtrans-67.1-44.6175.7-71.8175000111.6L325 L328 I517 V518 I519 F524 V525L325-L521 HydrophobicContact CD1-CD2 3.31Å; L328-L521 HydrophobicContact CD2-CB 4.49Å; L328-L521 HydrophobicContact CD2-CD2 3.72Å; L328-L521 HydrophobicContact CD2-CG 3.66Å; I517-L521 HydrophobicContact CG2-CD1 4.04Å; I517-L521 HydrophobicContact CG2-CG 4.34Å; I517-L521 WeakPolarHBondContact O-CG 3.42Å; I517-L521 PolarHBondContact O-N 3.43Å; V518-L521 PolarHBondContact O-N 2.02Å; I519-L521 PolarHBondContact O-N 3.05Å; L521-F524 PolarHBondContact O-N 3.07Å; L521-V525 PolarHBondContact O-N 3.42Å
522I94.4Very high92.1Very high97 Ų9752 Ų5250%0.49727%0.266SS..Hα-helixtrans-61.3-50.9176.6-66.9166.8000109.7V518 I519 F524 V525 W526V518-I522 HydrophobicContact CG1-CD1 3.98Å; V518-I522 WeakPolarHBondContact O-CG1 3.41Å; V518-I522 PolarHBondContact O-N 3.02Å; V518-I522 VanDerWaalsContact O-N 3.08Å; I519-I522 PolarHBondContact O-N 3.27Å; I522-F524 VanDerWaalsContact C-N 3.28Å; I522-F524 PolarHBondContact O-N 2.87Å; I522-V525 PolarHBondContact O-N 3.43Å; I522-W526 WeakPolarHBondContact O-CB 3.27Å; I522-W526 VanDerWaalsContact O-CD1 3.27Å; I522-W526 PolarHBondContact O-N 2.97Å
523L94.7Very high92.4Very high38 Ų3856.5 Ų56.520%0.19929%0.286CS..Hα-helixtrans-61.6-36.7178.5-71177.2000112.1L263 I519 F527 F528L263-L523 HydrophobicContact CB-CD1 4.3Å; L263-L523 HydrophobicContact CD1-CD1 4.48Å; I519-L523 HydrophobicContact CG2-CD1 3.79Å; I519-L523 HydrophobicContact CG2-CG 4.23Å; I519-L523 WeakPolarHBondContact O-CB 3.35Å; I519-L523 WeakPolarHBondContact O-CG 3.23Å; I519-L523 PolarHBondContact O-N 2.93Å; L523-F527 HydrophobicContact CD2-CB 4.43Å; L523-F527 CarbonylContact O-C 3.58Å; L523-F527 WeakPolarHBondContact O-CA 3.37Å; L523-F527 WeakPolarHBondContact O-CB 3.47Å; L523-F527 PolarHBondContact O-N 3.28Å; L523-F528 HydrophobicContact CB-CD2 4.23Å; L523-F528 HydrophobicContact CB-CE1 4.11Å; L523-F528 HydrophobicContact CB-CE2 3.69Å; L523-F528 HydrophobicContact CB-CZ 3.63Å; L523-F528 HydrophobicContact CD1-CZ 3.91Å; L523-F528 HydrophobicContact CG-CZ 4.38Å; L523-F528 PolarHBondContact O-N 3.1Å
524F93Very high92.8Very high31 Ų3161.5 Ų61.514%0.13631%0.305CS..Iπ-helixtrans-59.9-49.8177.9178.2-102.8000112.5L321 Y324 G520 L521 I522 F528 Y529L321-F524 HydrophobicContact CB-CE2 4.17Å; L321-F524 HydrophobicContact CD2-CD2 4.02Å; L321-F524 HydrophobicContact CD2-CE2 4Å; L321-F524 WeakPolarHBondContact O-CE2 3Å; Y324-F524 HydrophobicContact CD1-CB 4.4Å; Y324-F524 AromaticContact CD1-CD2 3.78Å; Y324-F524 HydrophobicContact CD1-CD2 3.78Å; Y324-F524 HydrophobicContact CD1-CG 4.4Å; Y324-F524 HydrophobicContact CE1-CB 4.46Å; Y324-F524 HydrophobicContact CG-CD2 4.48Å; G520-F524 VanDerWaalsContact O-CB 3.23Å; G520-F524 WeakPolarHBondContact O-CB 3.18Å; G520-F524 PolarHBondContact O-N 2.04Å; L521-F524 PolarHBondContact O-N 3.07Å; I522-F524 VanDerWaalsContact C-N 3.28Å; I522-F524 PolarHBondContact O-N 2.87Å; F524-F528 HydrophobicContact CB-CD2 4.23Å; F524-Y529 HydrophobicContact CZ-CD2 4.43Å; F524-Y529 WeakPolarHBondContact O-CB 3.38Å; F524-Y529 PolarHBondContact O-N 3.16Å
525V93.5Very high93.1Very high91 Ų9156.6 Ų56.655%0.55228%0.28SS*.Iπ-helixtrans-71.9-46.1-177175.50000111.4L521 I522 P530L521-V525 PolarHBondContact O-N 3.42Å; I522-V525 PolarHBondContact O-N 3.43Å; V525-P530 WeakPolarHBondContact O-CD 3.05Å; V525-P530 WeakPolarHBondContact O-CG 3.02Å
526W95.3Very high93.3Very high211 Ų21155.9 Ų55.980%0.79927%0.268SS*.Iπ-helixtrans-91-24.5-168.9-68.978.8000113.9I522I522-W526 WeakPolarHBondContact O-CB 3.27Å; I522-W526 VanDerWaalsContact O-CD1 3.27Å; I522-W526 PolarHBondContact O-N 2.97Å
527F95.9Very high93.5Very high43 Ų4363.2 Ų63.219%0.18930%0.299CS..Iπ-helixtrans-125.9-57.6-173.3-178.3-117.2000113.4L256 L259 I260 L263 L523 T531L256-F527 HydrophobicContact CD2-CE2 4.26Å; L256-F527 HydrophobicContact CD2-CZ 4.43Å; L259-F527 HydrophobicContact CB-CZ 4.34Å; L259-F527 HydrophobicContact CD2-CE1 4.13Å; L259-F527 HydrophobicContact CD2-CE2 4.44Å; L259-F527 HydrophobicContact CD2-CZ 3.64Å; L259-F527 HydrophobicContact CG-CE1 4Å; L259-F527 HydrophobicContact CG-CZ 3.93Å; I260-F527 HydrophobicContact CG1-CE1 3.92Å; I260-F527 HydrophobicContact CG1-CZ 4.19Å; L263-F527 HydrophobicContact CD1-CD1 4.2Å; L263-F527 HydrophobicContact CD1-CE1 4Å; L523-F527 HydrophobicContact CD2-CB 4.43Å; L523-F527 CarbonylContact O-C 3.58Å; L523-F527 WeakPolarHBondContact O-CA 3.37Å; L523-F527 WeakPolarHBondContact O-CB 3.47Å; L523-F527 PolarHBondContact O-N 3.28Å; F527-T531 HydrophobicContact CE2-CG2 4.44Å; F527-T531 WeakPolarHBondContact O-CB 3.01Å; F527-T531 PolarHBondContact O-N 3.09Å; F527-T531 PolarHBondContact O-OG1 3.3Å
528F94.3Very high93.8Very high0 Ų064.3 Ų64.30%031%0.305CS..Iπ-helixtrans-65.2-53-170.4-56.9-29.9000113I260 L263 L321 Y324 L523 F524 A532I260-F528 HydrophobicContact CB-CD1 4.42Å; I260-F528 HydrophobicContact CG1-CD1 4.24Å; I260-F528 HydrophobicContact CG2-CD1 4.07Å; L263-F528 HydrophobicContact CB-CE1 3.73Å; L263-F528 HydrophobicContact CB-CZ 3.77Å; L263-F528 HydrophobicContact CD1-CE1 4.44Å; L321-F528 HydrophobicContact CD1-CB 4.4Å; L321-F528 HydrophobicContact CD2-CB 3.55Å; L321-F528 HydrophobicContact CD2-CD2 4.35Å; L321-F528 HydrophobicContact CD2-CG 4.26Å; Y324-F528 HydrophobicContact CD1-CD2 4.33Å; Y324-F528 AromaticContact CE1-CD2 3.9Å; Y324-F528 HydrophobicContact CE1-CD2 3.9Å; Y324-F528 AromaticContact CE1-CE2 3.75Å; Y324-F528 HydrophobicContact CE1-CE2 3.75Å; Y324-F528 HydrophobicContact CE2-CE2 4.33Å; Y324-F528 AromaticContact CZ-CE2 3.6Å; Y324-F528 WeakPolarHBondContact OH-CE2 3.44Å; L523-F528 HydrophobicContact CB-CD2 4.23Å; L523-F528 HydrophobicContact CB-CE1 4.11Å; L523-F528 HydrophobicContact CB-CE2 3.69Å; L523-F528 HydrophobicContact CB-CZ 3.63Å; L523-F528 HydrophobicContact CD1-CZ 3.91Å; L523-F528 HydrophobicContact CG-CZ 4.38Å; L523-F528 PolarHBondContact O-N 3.1Å; F524-F528 HydrophobicContact CB-CD2 4.23Å; F528-A532 WeakPolarHBondContact O-CB 3.46Å; F528-A532 PolarHBondContact O-N 3.06Å
529Y92.9Very high93.8Very high75 Ų7564.3 Ų64.329%0.29431%0.307SS..Hα-helixtrans-67.9-44.9-176.2-172-102.4000113.4T318 F524 A532 K533T318-Y529 HydrophobicContact CG2-CE2 4.43Å; F524-Y529 HydrophobicContact CZ-CD2 4.43Å; F524-Y529 WeakPolarHBondContact O-CB 3.38Å; F524-Y529 PolarHBondContact O-N 3.16Å; Y529-A532 PolarHBondContact O-N 3.26Å; Y529-K533 HydrophobicContact CE1-CD 4.22Å; Y529-K533 PolarHBondContact O-N 3.06Å; Y529-K533 VanDerWaalsContact O-N 3.11Å
530P95.5Very high93.4Very high61 Ų6163.4 Ų63.440%0.39631%0.312SS..Hα-helixtrans-61.9-45.4175.1-23.434.7000112.9V525 A532 K533 Y534V525-P530 WeakPolarHBondContact O-CD 3.05Å; V525-P530 WeakPolarHBondContact O-CG 3.02Å; P530-A532 PolarHBondContact O-N 3.24Å; P530-K533 PolarHBondContact O-N 3.2Å; P530-Y534 PolarHBondContact O-N 2.79Å
531T95.6Very high93.1Very high18 Ų1868.7 Ų68.711%0.1134%0.34CS..Hα-helixtrans-67.2-38.8-179-52.70000110.9L256 I260 F527 K533 Y534 L535L256-T531 HydrophobicContact CB-CG2 3.96Å; L256-T531 HydrophobicContact CD1-CG2 4.19Å; L256-T531 HydrophobicContact CD2-CG2 4.3Å; L256-T531 HydrophobicContact CG-CG2 4.39Å; I260-T531 HydrophobicContact CD1-CG2 3.74Å; I260-T531 HydrophobicContact CG1-CG2 4.44Å; F527-T531 HydrophobicContact CE2-CG2 4.44Å; F527-T531 WeakPolarHBondContact O-CB 3.01Å; F527-T531 PolarHBondContact O-N 3.09Å; F527-T531 PolarHBondContact O-OG1 3.3Å; T531-K533 PolarHBondContact O-N 3.25Å; T531-Y534 WeakPolarHBondContact O-CB 3.38Å; T531-Y534 PolarHBondContact O-N 3.21Å; T531-Y534 VanDerWaalsContact O-N 3.14Å; T531-L535 HydrophobicContact CG2-CD1 4.16Å; T531-L535 HydrophobicContact CG2-CG 4.28Å; T531-L535 VanDerWaalsContact O-CG 3.29Å; T531-L535 WeakPolarHBondContact O-CG 3.38Å; T531-L535 PolarHBondContact O-N 3.09Å
532A94.1Very high93Very high0 Ų071.1 Ų71.10%035%0.348CS..Hα-helixtrans-61.4-43.6174.600000112.8L317 T318 L321 F528 Y529 P530 Y534 L535 E536L317-A532 HydrophobicContact CB-CB 4.34Å; L317-A532 HydrophobicContact CD2-CB 3.58Å; L317-A532 HydrophobicContact CG-CB 3.67Å; T318-A532 HydrophobicContact CG2-CB 4.01Å; L321-A532 HydrophobicContact CD1-CB 3.29Å; F528-A532 WeakPolarHBondContact O-CB 3.46Å; F528-A532 PolarHBondContact O-N 3.06Å; Y529-A532 PolarHBondContact O-N 3.26Å; P530-A532 PolarHBondContact O-N 3.24Å; A532-Y534 VanDerWaalsContact C-N 3.28Å; A532-Y534 PolarHBondContact O-N 2.68Å; A532-L535 PolarHBondContact O-N 3.41Å; A532-E536 WeakPolarHBondContact O-CB 3.5Å; A532-E536 WeakPolarHBondContact O-CG 3.2Å; A532-E536 PolarHBondContact O-N 3.32Å
533K94.4Very high92.8Very high103 Ų10366.7 Ų66.745%0.44833%0.325SS..Hα-helixtrans-59.8-39.1173.1-97.8-173.4176.6179.30112.3T318 Y529 P530 T531 K537T318-K533 HydrophobicContact CG2-CB 4.41Å; T318-K533 HydrophobicContact CG2-CG 3.77Å; Y529-K533 HydrophobicContact CE1-CD 4.22Å; Y529-K533 PolarHBondContact O-N 3.06Å; Y529-K533 VanDerWaalsContact O-N 3.11Å; P530-K533 PolarHBondContact O-N 3.2Å; T531-K533 PolarHBondContact O-N 3.25Å; K533-K537 WeakPolarHBondContact O-CG 3.34Å; K533-K537 PolarHBondContact O-N 3.42Å
534Y95.6Very high92.4Very high107 Ų10766.8 Ų66.842%0.4233%0.328SS..Hα-helixtrans-64.5-50.3176.1165.8-105.6000111.2L256 P530 T531 A532 E536 K537 L538L256-Y534 HydrophobicContact CD1-CD1 4.38Å; L256-Y534 HydrophobicContact CD1-CE1 4.06Å; P530-Y534 PolarHBondContact O-N 2.79Å; T531-Y534 WeakPolarHBondContact O-CB 3.38Å; T531-Y534 PolarHBondContact O-N 3.21Å; T531-Y534 VanDerWaalsContact O-N 3.14Å; A532-Y534 VanDerWaalsContact C-N 3.28Å; A532-Y534 PolarHBondContact O-N 2.68Å; Y534-E536 PolarHBondContact O-N 3.45Å; Y534-K537 PolarHBondContact O-N 3.02Å; Y534-L538 HydrophobicContact CD1-CD1 4.48Å; Y534-L538 HydrophobicContact CE1-CD1 3.86Å; Y534-L538 HydrophobicContact CE2-CD1 4.43Å; Y534-L538 HydrophobicContact CE2-CD2 4.21Å; Y534-L538 HydrophobicContact CE2-CG 4.44Å; Y534-L538 PolarHBondContact O-N 2.88Å
535L95.1Very high91.8Very high1 Ų167.7 Ų67.71%0.00533%0.331CS..Hα-helixtrans-61.8-40.7-178.9-67.1174.2000112.5P253 L256 Y257 I260 L317 F413 T531 A532 K537 L538 F543P253-L535 HydrophobicContact CB-CD2 3.83Å; P253-L535 VanDerWaalsContact O-CD2 3.3Å; P253-L535 WeakPolarHBondContact O-CD2 3.39Å; L256-L535 HydrophobicContact CB-CD2 4.39Å; Y257-L535 HydrophobicContact CD2-CD1 4.36Å; I260-L535 HydrophobicContact CD1-CD1 3.95Å; L317-L535 HydrophobicContact CD2-CB 4.31Å; L317-L535 HydrophobicContact CD2-CD1 4.09Å; F413-L535 HydrophobicContact CZ-CB 4.08Å; T531-L535 HydrophobicContact CG2-CD1 4.16Å; T531-L535 HydrophobicContact CG2-CG 4.28Å; T531-L535 VanDerWaalsContact O-CG 3.29Å; T531-L535 WeakPolarHBondContact O-CG 3.38Å; T531-L535 PolarHBondContact O-N 3.09Å; A532-L535 PolarHBondContact O-N 3.41Å; L535-K537 VanDerWaalsContact C-N 3.26Å; L535-K537 PolarHBondContact O-N 2.98Å; L535-L538 HydrophobicContact CD2-CD1 4.36Å; L535-L538 PolarHBondContact O-N 3Å; L535-F543 HydrophobicContact CB-CZ 4.4Å; L535-F543 HydrophobicContact CD2-CE1 4.17Å; L535-F543 HydrophobicContact CD2-CZ 4.21Å
536E93Very high91Very high30 Ų3066.9 Ų66.914%0.1432%0.324CS..Hα-helixtrans-68.2-22.8178.5-74.9-175.1155.200114.3K315 P316 L317 T318 F413 A532 Y534K315-E536 WeakPolarHBondContact CA-OE1 3.39Å; K315-E536 WeakPolarHBondContact CB-OE2 3.44Å; P316-E536 VanDerWaalsContact N-OE1 3.16Å; L317-E536 WeakPolarHBondContact CA-OE1 3.37Å; L317-E536 HydrophobicContact CB-CG 3.95Å; L317-E536 VanDerWaalsContact CB-OE1 3.32Å; L317-E536 WeakPolarHBondContact CB-OE1 2.98Å; L317-E536 PolarHBondContact N-OE1 2.97Å; T318-E536 WeakPolarHBondContact CB-OE2 3.38Å; T318-E536 WeakPolarHBondContact CG2-OE2 3.14Å; T318-E536 PolarHBondContact N-OE1 3.04Å; T318-E536 PolarHBondContact OG1-OE1 3.33Å; T318-E536 PolarHBondContact OG1-OE2 3.14Å; F413-E536 HydrophobicContact CE2-CG 4.22Å; A532-E536 WeakPolarHBondContact O-CB 3.5Å; A532-E536 WeakPolarHBondContact O-CG 3.2Å; A532-E536 PolarHBondContact O-N 3.32Å; Y534-E536 PolarHBondContact O-N 3.45Å
537K93.3Very high89.7Confident176 Ų17657 Ų5777%0.76529%0.287SS*.Hα-helixtrans-80.9-19.4176.6-76.1177.7177.9-171.50112.7K533 Y534 L535K533-K537 WeakPolarHBondContact O-CG 3.34Å; K533-K537 PolarHBondContact O-N 3.42Å; Y534-K537 PolarHBondContact O-N 3.02Å; L535-K537 VanDerWaalsContact C-N 3.26Å; L535-K537 PolarHBondContact O-N 2.98Å
538L93.3Very high88.3Confident39 Ų3957.7 Ų57.720%0.20430%0.295CS..SBendtrans-72.5140.7-177.6-70173.7000110.9P253 Y534 L535 K542 F543P253-L538 HydrophobicContact CB-CD1 3.86Å; P253-L538 HydrophobicContact CG-CD1 3.75Å; Y534-L538 HydrophobicContact CD1-CD1 4.48Å; Y534-L538 HydrophobicContact CE1-CD1 3.86Å; Y534-L538 HydrophobicContact CE2-CD1 4.43Å; Y534-L538 HydrophobicContact CE2-CD2 4.21Å; Y534-L538 HydrophobicContact CE2-CG 4.44Å; Y534-L538 PolarHBondContact O-N 2.88Å; L535-L538 HydrophobicContact CD2-CD1 4.36Å; L535-L538 PolarHBondContact O-N 3Å; L538-K542 HydrophobicContact CB-CB 4.45Å; L538-K542 HydrophobicContact CD2-CG 4.47Å; L538-F543 HydrophobicContact CB-CE2 3.76Å; L538-F543 HydrophobicContact CB-CZ 4.19Å; L538-F543 HydrophobicContact CD1-CE2 4.43Å; L538-F543 HydrophobicContact CD1-CZ 4.17Å
539P89.9Confident86.6Confident74 Ų7462.1 Ų62.148%0.48132%0.322SS..  trans-67150.4171.325.6-29.9000111N541 K542P539-N541 WeakPolarHBondContact CB-OD1 3.28Å; P539-N541 VanDerWaalsContact CG-OD1 3.22Å; P539-N541 WeakPolarHBondContact CG-OD1 3.31Å; P539-N541 PolarHBondContact O-N 2.79Å; P539-N541 VanDerWaalsContact O-N 3.12Å; P539-N541 PolarHBondContact O-OD1 2.97Å; P539-K542 HydrophobicContact CG-CG 4.04Å; P539-K542 WeakPolarHBondContact O-CB 3.42Å; P539-K542 PolarHBondContact O-N 3.07Å
540A83.9Confident84.3Confident65 Ų6564.8 Ų64.854%0.53734%0.341SS..G310 helixtrans-57.1-30.7-175.100000113.4K542 F543 S544A540-K542 PolarHBondContact O-N 2.88Å; A540-F543 WeakPolarHBondContact O-CB 3.48Å; A540-F543 PolarHBondContact O-N 2.94Å; A540-S544 PolarHBondContact O-N 3.02Å
541N85.5Confident81.7Confident111 Ų11168.2 Ų68.259%0.59435%0.352SS*.G310 helixtrans-61.8-22.6177.466.8-10.8000113.9P539 F543 S544P539-N541 WeakPolarHBondContact CB-OD1 3.28Å; P539-N541 VanDerWaalsContact CG-OD1 3.22Å; P539-N541 WeakPolarHBondContact CG-OD1 3.31Å; P539-N541 PolarHBondContact O-N 2.79Å; P539-N541 VanDerWaalsContact O-N 3.12Å; P539-N541 PolarHBondContact O-OD1 2.97Å; N541-F543 PolarHBondContact O-N 3.13Å; N541-S544 PolarHBondContact O-N 2.81Å
542K90.4Very high78.9Confident123 Ų12373.7 Ų73.754%0.53538%0.379SS..G310 helixtrans-74-10.4174.6-66.4-64.8-175.1-174.70113.2L538 P539 A540L538-K542 HydrophobicContact CB-CB 4.45Å; L538-K542 HydrophobicContact CD2-CG 4.47Å; P539-K542 HydrophobicContact CG-CG 4.04Å; P539-K542 WeakPolarHBondContact O-CB 3.42Å; P539-K542 PolarHBondContact O-N 3.07Å; A540-K542 PolarHBondContact O-N 2.88Å
543F90Very high76Confident3 Ų379.3 Ų79.31%0.01342%0.417CS..G310 helixtrans-104.6-8.2174.8-59.9-89.8000112.8P253 V254 F413 I417 Y426 L535 L538 A540 N541P253-F543 HydrophobicContact CB-CD1 3.83Å; P253-F543 HydrophobicContact CB-CE1 3.43Å; P253-F543 VanDerWaalsContact CB-CE1 3.43Å; P253-F543 HydrophobicContact CB-CZ 3.92Å; V254-F543 HydrophobicContact CG2-CD1 4.11Å; F413-F543 HydrophobicContact CE1-CE1 4.45Å; F413-F543 HydrophobicContact CZ-CE1 4.27Å; F413-F543 HydrophobicContact CZ-CZ 4.07Å; I417-F543 HydrophobicContact CB-CB 3.94Å; I417-F543 HydrophobicContact CB-CD1 4.09Å; I417-F543 HydrophobicContact CB-CD2 4.39Å; I417-F543 HydrophobicContact CB-CG 3.9Å; I417-F543 HydrophobicContact CD1-CD1 3.95Å; I417-F543 HydrophobicContact CD1-CE1 4.39Å; I417-F543 HydrophobicContact CG2-CB 4.5Å; I417-F543 HydrophobicContact CG2-CD1 4.04Å; I417-F543 HydrophobicContact CG2-CD2 4.03Å; I417-F543 HydrophobicContact CG2-CE1 4.22Å; I417-F543 HydrophobicContact CG2-CE2 4.21Å; I417-F543 HydrophobicContact CG2-CG 3.94Å; I417-F543 HydrophobicContact CG2-CZ 4.3Å; Y426-F543 WeakPolarHBondContact CE1-O 3.35Å; Y426-F543 PolarHBondContact OH-O 3.03Å; L535-F543 HydrophobicContact CB-CZ 4.4Å; L535-F543 HydrophobicContact CD2-CE1 4.17Å; L535-F543 HydrophobicContact CD2-CZ 4.21Å; L538-F543 HydrophobicContact CB-CE2 3.76Å; L538-F543 HydrophobicContact CB-CZ 4.19Å; L538-F543 HydrophobicContact CD1-CE2 4.43Å; L538-F543 HydrophobicContact CD1-CZ 4.17Å; A540-F543 WeakPolarHBondContact O-CB 3.48Å; A540-F543 PolarHBondContact O-N 2.94Å; N541-F543 PolarHBondContact O-N 3.13Å
544S85.3Confident72.9Confident40 Ų4079.6 Ų79.628%0.2843%0.431SS..  trans-92.4139.7171.6-850000110.3D419 A540 N541D419-S544 PolarHBondContact OD2-OG 3.37Å; A540-S544 PolarHBondContact O-N 3.02Å; N541-S544 PolarHBondContact O-N 2.81Å
545Y81.9Confident69.8Low50 Ų5084 Ų8420%0.19645%0.453CS..  trans-104.2122.6173.4176.7-98.8000109.1N244 P547N244-Y545 HydrophobicContact CB-CD1 4.21Å; Y545-P547 HydrophobicContact CE1-CB 3.8Å; Y545-P547 HydrophobicContact CE1-CG 4.36Å
546D76.1Confident66.6Low75 Ų7591.2 Ų91.240%0.40149%0.491SS..  trans-111.7106.8173-173.8-11000109.8T548 T549D546-T548 PolarHBondContact O-N 3.07Å; D546-T548 WeakPolarHBondContact OD1-CB 3.47Å; D546-T548 WeakPolarHBondContact OD1-CG2 3.49Å; D546-T548 PolarHBondContact OD1-N 3.49Å; D546-T548 PolarHBondContact OD1-OG1 2.98Å; D546-T548 PolarHBondContact OD2-OG1 3.02Å; D546-T548 VanDerWaalsContact OD2-OG1 3.12Å; D546-T549 HydrophobicContact CB-CG2 4.38Å; D546-T549 PolarHBondContact O-N 3.41Å; D546-T549 PolarHBondContact O-OG1 3.45Å
547P68.4Low63.6Low3 Ų396.5 Ų96.52%0.01953%0.53CS..G310 helixtrans-65-20.1179.727.3-35.3000113.6Y240 N244 Y545 T549 N550Y240-P547 HydrophobicContact CD2-CG 4.06Å; Y240-P547 HydrophobicContact CE1-CG 4.42Å; Y240-P547 HydrophobicContact CE2-CB 4.24Å; Y240-P547 HydrophobicContact CE2-CG 3.15Å; Y240-P547 WeakPolarHBondContact OH-CD 3.42Å; Y240-P547 WeakPolarHBondContact OH-CG 3.45Å; N244-P547 WeakPolarHBondContact OD1-CD 3.16Å; N244-P547 VanDerWaalsContact OD1-CG 3.23Å; N244-P547 WeakPolarHBondContact OD1-CG 3.35Å; Y545-P547 HydrophobicContact CE1-CB 3.8Å; Y545-P547 HydrophobicContact CE1-CG 4.36Å; P547-T549 VanDerWaalsContact C-N 3.25Å; P547-T549 PolarHBondContact O-N 2.94Å; P547-N550 PolarHBondContact O-N 2.75Å
548T66.5Low60.4Low58 Ų5897.8 Ų97.836%0.35654%0.536SS..G310 helixtrans-70.2-23.9-17866.70000112.5D546 N550 E551 I552D546-T548 PolarHBondContact O-N 3.07Å; D546-T548 WeakPolarHBondContact OD1-CB 3.47Å; D546-T548 WeakPolarHBondContact OD1-CG2 3.49Å; D546-T548 PolarHBondContact OD1-N 3.49Å; D546-T548 PolarHBondContact OD1-OG1 2.98Å; D546-T548 PolarHBondContact OD2-OG1 3.02Å; D546-T548 VanDerWaalsContact OD2-OG1 3.12Å; T548-N550 PolarHBondContact O-N 3.01Å; T548-E551 PolarHBondContact O-N 3.02Å; T548-I552 PolarHBondContact O-N 3.1Å
549T58.8Low57.4Low93 Ų93101 Ų10157%0.57156%0.561SS**G310 helixtrans-64.1-21.717454.80000113.3D546 P547D546-T549 HydrophobicContact CB-CG2 4.38Å; D546-T549 PolarHBondContact O-N 3.41Å; D546-T549 PolarHBondContact O-OG1 3.45Å; P547-T549 VanDerWaalsContact C-N 3.25Å; P547-T549 PolarHBondContact O-N 2.94Å
550N43.6Very low54.5Low131 Ų131104.7 Ų104.770%0.70158%0.577SS**G310 helixtrans-92-9.1172.8-91.81.8000113.9P547 T548P547-N550 PolarHBondContact O-N 2.75Å; T548-N550 PolarHBondContact O-N 3.01Å
551E40.7Very low51.7Low132 Ų132109.9 Ų109.962%0.61760%0.596SS**THydrogen-bonded Turntrans-102.3-9.2-178.8-81.4170.8-162.100113.4K243 T548K243-E551 IonicContact NZ-OE1 3.69Å; K243-E551 PolarHBondContact NZ-OE1 3.35Å; T548-E551 PolarHBondContact O-N 3.02Å
552I37.6Very low49.1Very low134 Ų134110 Ų11069%0.68760%0.601SS**SBendtrans-106.7-3.3-177.3-62.1170.4000113.8T548 C554T548-I552 PolarHBondContact O-N 3.1Å; I552-C554 PolarHBondContact O-N 2.96Å; I552-C554 VanDerWaalsContact O-N 3.16Å
553C32.7Very low46.1Very low118 Ų118111.3 Ų111.380%0.79761%0.614SS**SBendtrans-80.919.3175.6-90.90000115.4
554C29.3Very low43.3Very low109 Ų109120.7 Ų120.774%0.73665%0.654SS**SBendtrans-149.694171.3-93.60000111.2I552I552-C554 PolarHBondContact O-N 2.96Å; I552-C554 VanDerWaalsContact O-N 3.16Å
555F29.9Very low40.4Very low199 Ų199124.4 Ų124.487%0.87368%0.675SS**SBendtrans156111.7141.4-103.2-96.2000107.1
556N28.6Very low37.9Very low153 Ų153129.1 Ų129.182%0.81870%0.704SS**  trans85.840.1174.8-69.2-5.4000121
557C29.7Very low35.4Very low141 Ų141132.9 Ų132.995%0.95372%0.724SS**  trans-103.669.9148.1-68.90000110.1
558K26.6Very low33.5Very low203 Ų203141.4 Ų141.488%0.88376%0.764SS**  trans-126.389.7161.3-101-170.8177.4-179.30107.4
559S30.2Very low31.5Very low105 Ų105143.7 Ų143.773%0.73478%0.782SS**SBendtrans-169102.2150.554.90000110.3
560N27.9Very low30Very low152 Ų152147.2 Ų147.281%0.81380%0.796SS**  trans6088.7146.7-59.1-6.7000119.2
561D26.7Very low29.2Very low174 Ų174146.9 Ų146.993%0.9380%0.8SS**  trans-86.5104.2143.2-88-37.8000108.9
562T30.3Very low28.5Very low115 Ų115148.4 Ų148.471%0.70681%0.81SS**  trans-144.4115.1154.539.50000108.6
563D27.9Very low28Very low150 Ų150147.6 Ų147.680%0.80281%0.812SS**  trans51109.4153.4-65.2-25.3000119.8
564K30.9Very low27.6Very low199 Ų199149.5 Ų149.587%0.86581%0.814SS**  175.2136.9101.6-93.4171.4-173.9176.40112.5
565T25.1Very low27.5Very low118 Ų118155.3 Ų155.372%0.72482%0.822SS**  trans-46.2132.6157.542.80000112.3
566D28Very low27.3Very low150 Ų150155.7 Ų155.780%0.80282%0.824SS**  177.8152.1116.6-89.2-27.3000113
567N23.5Very low27.2Very low153 Ų153157.9 Ų157.982%0.81883%0.829SS**  trans-40.1129.6174.9-65.4-51.8000114.3
568Q28.5Very low27Very low183 Ų183156.4 Ų156.486%0.85582%0.82SS**  trans-164.9130.7133.2-109.7161.7600113
569S25.7Very low27Very low106 Ų106154.2 Ų154.274%0.74182%0.818SS**  trans-53.2123.6169.945.50000112.8T571S569-T571 PolarHBondContact O-N 3.05Å
570L27.2Very low27Very low166 Ų166158.6 Ų158.687%0.86982%0.824SS**  trans-75.7104.9165.5-101.792.9000110.2
571T27.4Very low26.9Very low125 Ų125159.3 Ų159.377%0.76783%0.828SS**  trans-91.8126.1154.529.20000109.3S569 T573S569-T571 PolarHBondContact O-N 3.05Å; T571-T573 PolarHBondContact O-N 2.87Å
572I26Very low27.2Very low163 Ų163156.3 Ų156.384%0.83682%0.816SS**  trans-81.6102.9177.1-63168.3000108.1
573T25.1Very low27.1Very low118 Ų118156.5 Ų156.572%0.72482%0.817SS**  trans-161.8103.4155.637.60000107T571T571-T573 PolarHBondContact O-N 2.87Å
574D26.1Very low27.3Very low158 Ų158155.9 Ų155.985%0.84581%0.814SS**  trans-171.487.7148.6-90.1-18.8000108.2
575Y25.6Very low27.3Very low230 Ų230152.8 Ų152.890%0.90281%0.807SS**  trans-147.455.9165.2-108.7-77.3000108.1
576F26.6Very low27.5Very low208 Ų208153.3 Ų153.391%0.91281%0.805SS**  trans-167.286.3161.3-94.3-69.5000108.8
577E27.3Very low27.8Very low199 Ų199153 Ų15393%0.9380%0.803SS**  trans-175.494143.9-108.9169.1-178.900110.7
578S25.4Very low28.2Very low110 Ų110150.9 Ų150.977%0.76980%0.796SS**  trans-152.186.5156.3-176.30000107
579N26.8Very low28.4Very low156 Ų156148.4 Ų148.483%0.83479%0.789SS**  trans167.292.2148.8-90.8-24.7000110.4
580K29.3Very low28.7Very low198 Ų198149.8 Ų149.886%0.86179%0.788SS**  174.1101.8128.7-101.4175.6173.2-178.90110.6
581N25.7Very low28.9Very low167 Ų167148.2 Ų148.289%0.89378%0.78SS**  trans-102.9113.8152.5-87.1-16.3000107.4
582T32.7Very low29.1Very low111 Ų111147.2 Ų147.268%0.68177%0.774SS**  trans-170.990.5157.835.10000104.5
583T29.5Very low29.4Very low119 Ų119146.4 Ų146.473%0.7377%0.772SS**  62.6129.499.253.20000115.3
584D31.9Very low29.6Very low137 Ų137144.8 Ų144.873%0.73377%0.765SS**  trans102.295.8154.4-52.6-27.1000119.2
585N30.5Very low29.9Very low134 Ų134144.5 Ų144.572%0.71776%0.763SS**  52.3131118-68.9-0.4000122.7
586D30Very low30.1Very low129 Ų129138.1 Ų138.169%0.6975%0.753SS**  trans59.5111.6136.4-55.6-26.3000119.6
587D33.3Very low30.5Very low142 Ų142137 Ų13776%0.75975%0.75SS**  170.1122.795.3-102-38.9000114
588T32.1Very low30.7Very low109 Ų109135.4 Ų135.467%0.66975%0.748SS**  trans24.9141.6134.554.80000124.2
589N32.7Very low31Very low131 Ų131133.8 Ų133.870%0.70175%0.748SS**  trans99.4101.4139.3-74.3-23.5000122.2
590N31.2Very low31.2Very low135 Ų135135.4 Ų135.472%0.72275%0.751SS**  71.4134.1112.7-76.2-14.5000123.2
591N32.2Very low31.4Very low133 Ų133134 Ų13471%0.71175%0.751SS**  trans10698.1139.2-75.7-4.5000120.8
592T31.4Very low31.8Very low105 Ų105135.3 Ų135.364%0.64475%0.749SS**  52.1113.4119.359.70000119.8
593N32Very low32Very low146 Ų146135.8 Ų135.878%0.78175%0.754SS**  170.313094-97.7-22.8000113.5
594S30.2Very low32.7Very low84 Ų84138.1 Ų138.159%0.58776%0.76SS**  trans4.5125.1146.358.80000120.4
595N32.2Very low33Very low151 Ų151139 Ų13981%0.80776%0.764SS**  172.7128.497.1-97.1-24.4000113.2
596S30.3Very low33.5Very low96 Ų96139.7 Ų139.767%0.67177%0.768SS**  trans47.6103.6135.7159.80000119.3
597H34.7Very low34.3Very low185 Ų185147.1 Ų147.186%0.85679%0.794SS**  -158.4141.6118-113.7-24.9000113
598N31Very low34.4Very low165 Ų165147.4 Ų147.488%0.88280%0.796SS**  trans-61.7145.4-175.8-79.2-34.1000113.9
599G31.9Very low34.5Very low76 Ų76149.4 Ų149.478%0.78480%0.802SS**  trans176.857.8169.300000112.2
600Q30Very low34.6Very low190 Ų190150.4 Ų150.489%0.88881%0.808SS**  trans-63.1134163-85.3-178.3-30.100109.4
601I34.3Very low34.8Very low169 Ų169151.4 Ų151.487%0.86781%0.813SS**  -160.4113.3126.2-87.4143.5000106.9
602K32.9Very low35Very low194 Ų194152.5 Ų152.584%0.84382%0.82SS**  trans-85.9150.6161.5-101.9179.2174-1790108.6
603P37.9Very low35.2Very low122 Ų122155.7 Ų155.779%0.79283%0.831SS**  trans-86.8148.3-179.435-31.6000111.9
604I44.2Very low35.4Very low168 Ų168156.4 Ų156.486%0.86284%0.835SS**  trans-128.5116.8167-63.7176.4000108.1
605L37.2Very low35.8Very low155 Ų155161.9 Ų161.981%0.81285%0.854SS**  trans-91.9131.3152.4-98.1151.6000106.9
606D41.5Very low36.1Very low149 Ų149162.8 Ų162.880%0.79786%0.858SS**  160.6113.6127.7-84.7-12.8000112.4
607K47.9Very low36.7Very low285 Ų285168.9 Ų168.9100%1.23988%0.875SS**  trans-166.90132.7-109.1-176.5-175.5-178.70111.4

Retrieved 607 of 607 residues in 258.7 ms (Link to these results)

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