A0A087XRU9_POEFO Loading...

unspecific monooxygenase

Putative steroid 6-beta-hydroxylase.

AlphaFold DB , UniProt , Accession A0A087XRU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 450 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
1N47.2Very low65.6Low117 Ų11762.6 Ų62.663%0.62633%0.33SS*.  095.30-148.8-7.1000106.7L3 N4N1-L3 PolarHBondContact O-N 2.68Å; N1-L3 VanDerWaalsContact O-N 3.08Å; N1-N4 PolarHBondContact O-N 2.82Å
2I48.3Very low67.7Low23 Ų2358.7 Ų58.712%0.11831%0.308CS..G310 helixtrans-53-31-173.1-75.5171000111.8N4 Q5 L173 T177I2-N4 PolarHBondContact O-N 2.64Å; I2-Q5 PolarHBondContact O-N 3.18Å; I2-Q5 VanDerWaalsContact O-N 3.08Å; I2-L173 HydrophobicContact CG2-CD1 4.11Å; I2-L173 HydrophobicContact CG2-CD2 3.69Å; I2-L173 HydrophobicContact CG2-CG 4.38Å; I2-T177 VanDerWaalsContact CD1-OG1 3.32Å; I2-T177 WeakPolarHBondContact CD1-OG1 3.47Å
3L48.2Very low69.6Low125 Ų12554.2 Ų54.265%0.65428%0.284SS*.G310 helixtrans-61-22.2178.4-64.2168.6000114.3N1 N6N1-L3 PolarHBondContact O-N 2.68Å; N1-L3 VanDerWaalsContact O-N 3.08Å; L3-N6 PolarHBondContact O-ND2 3.42Å
4N55.3Low71.3Confident93 Ų9351.2 Ų51.250%0.49727%0.268SS..G310 helixtrans-88.2-4.4177.7-71.17.9000113.4N1 I2 N6 F12N1-N4 PolarHBondContact O-N 2.82Å; I2-N4 PolarHBondContact O-N 2.64Å; N4-N6 VanDerWaalsContact C-N 3.27Å; N4-N6 PolarHBondContact O-N 3.14Å; N4-F12 HydrophobicContact CB-CD2 4.08Å; N4-F12 HydrophobicContact CB-CE2 4.23Å
5Q56.9Low72.8Confident14 Ų1455.2 Ų55.27%0.06529%0.285CS..G310 helixtrans-83.82.2176.7-70.3-178.8-5.400113.4I2 N7 G8 F12 L168I2-Q5 PolarHBondContact O-N 3.18Å; I2-Q5 VanDerWaalsContact O-N 3.08Å; Q5-N7 PolarHBondContact O-N 3.32Å; Q5-N7 VanDerWaalsContact O-N 3.13Å; Q5-G8 WeakPolarHBondContact O-CA 3.34Å; Q5-G8 PolarHBondContact O-N 2.87Å; Q5-F12 HydrophobicContact CG-CB 4.12Å; Q5-F12 HydrophobicContact CG-CD1 4.13Å; Q5-F12 HydrophobicContact CG-CD2 4.42Å; Q5-F12 HydrophobicContact CG-CG 3.95Å; Q5-L168 HydrophobicContact CB-CD2 4.49Å
6N60.6Low74.2Confident106 Ų10652.3 Ų52.357%0.56727%0.271SS*.G310 helixtrans-59.7-24.3178.5-70.7-9.1000113.1L3 N4 G8L3-N6 PolarHBondContact O-ND2 3.42Å; N4-N6 VanDerWaalsContact C-N 3.27Å; N4-N6 PolarHBondContact O-N 3.14Å; N6-G8 VanDerWaalsContact C-N 3.31Å
7N69.3Low75.4Confident114 Ų11450.4 Ų50.461%0.6126%0.26SS*.G310 helixtrans-90.512.2174.5-65.8-14.5000113.1Q5 N11Q5-N7 PolarHBondContact O-N 3.32Å; Q5-N7 VanDerWaalsContact O-N 3.13Å; N7-N11 PolarHBondContact O-ND2 3.22Å
8G79.6Confident76.4Confident0 Ų057.8 Ų57.80%028%0.284CS..  trans98.2141.6-178.100000113.8Q5 N6 F10 N11 F12Q5-G8 WeakPolarHBondContact O-CA 3.34Å; Q5-G8 PolarHBondContact O-N 2.87Å; N6-G8 VanDerWaalsContact C-N 3.31Å; G8-F10 VanDerWaalsContact C-N 3.3Å; G8-F10 PolarHBondContact O-N 2.66Å; G8-N11 PolarHBondContact O-N 3.33Å; G8-F12 PolarHBondContact O-N 3.01Å; G8-F12 VanDerWaalsContact O-N 3.15Å
9F84.1Confident77.5Confident27 Ų2762.8 Ų62.812%0.11830%0.304CS..Hα-helixtrans-66.9-29.3-174.972.7-95.9000113.4D13 A324 R325 G435 L437F9-D13 VanDerWaalsContact O-CG 3.24Å; F9-D13 PolarHBondContact O-N 2.86Å; F9-D13 VanDerWaalsContact O-N 3.12Å; F9-A324 HydrophobicContact CE2-CB 3.61Å; F9-A324 HydrophobicContact CZ-CB 3.95Å; F9-R325 HydrophobicContact CD2-CG 4.29Å; F9-R325 HydrophobicContact CE2-CG 4.2Å; F9-R325 PolarHBondContact O-NH2 3.41Å; F9-G435 VanDerWaalsContact CE1-O 3.25Å; F9-G435 WeakPolarHBondContact CE1-O 3.44Å; F9-L437 HydrophobicContact CZ-CD2 4.3Å
10F83.8Confident78.4Confident3 Ų366.2 Ų66.21%0.01331%0.314CS..Hα-helixtrans-75.9-35.8178.852.8-90.7000112.1G8 D13 Q14 W352 M431 D432 L437G8-F10 VanDerWaalsContact C-N 3.3Å; G8-F10 PolarHBondContact O-N 2.66Å; F10-D13 PolarHBondContact O-N 3.12Å; F10-Q14 PolarHBondContact O-N 2.9Å; F10-W352 HydrophobicContact CB-CB 4.25Å; F10-W352 HydrophobicContact CB-CD2 4.03Å; F10-W352 HydrophobicContact CB-CG 3.77Å; F10-W352 HydrophobicContact CD2-CD2 4.48Å; F10-W352 AromaticContact CD2-CE2 3.9Å; F10-W352 AromaticContact CD2-CZ2 3.99Å; F10-W352 HydrophobicContact CD2-CZ2 3.99Å; F10-M431 HydrophobicContact CE1-CB 4.41Å; F10-M431 HydrophobicContact CE2-CB 3.95Å; F10-M431 HydrophobicContact CE2-CG 4.28Å; F10-M431 HydrophobicContact CZ-CB 3.52Å; F10-M431 HydrophobicContact CZ-CG 4.3Å; F10-D432 WeakPolarHBondContact CE1-O 3.5Å; F10-D432 WeakPolarHBondContact CZ-O 3.47Å; F10-L437 HydrophobicContact CD1-CD2 3.72Å; F10-L437 HydrophobicContact CE1-CD2 4.21Å; F10-L437 HydrophobicContact CG-CD2 4.17Å
11N88.2Confident79.2Confident67 Ų6764.5 Ų64.536%0.35831%0.314SS..Hα-helixtrans-65.7-43.2172.4-74.2-28.8000110.6N7 G8 D13 Q14 E15N7-N11 PolarHBondContact O-ND2 3.22Å; G8-N11 PolarHBondContact O-N 3.33Å; N11-D13 VanDerWaalsContact C-N 3.34Å; N11-D13 PolarHBondContact O-N 2.87Å; N11-Q14 WeakPolarHBondContact O-CB 3.49Å; N11-Q14 PolarHBondContact O-N 3.3Å; N11-E15 WeakPolarHBondContact O-CG 3.48Å; N11-E15 PolarHBondContact O-N 3.17Å
12F90.8Very high81.4Confident15 Ų1563.4 Ų63.47%0.06630%0.303CS..Hα-helixtrans-58-43.5174.1173.5-99.1000112.5N4 Q5 G8 Q14 E15 C16 I26N4-F12 HydrophobicContact CB-CD2 4.08Å; N4-F12 HydrophobicContact CB-CE2 4.23Å; Q5-F12 HydrophobicContact CG-CB 4.12Å; Q5-F12 HydrophobicContact CG-CD1 4.13Å; Q5-F12 HydrophobicContact CG-CD2 4.42Å; Q5-F12 HydrophobicContact CG-CG 3.95Å; G8-F12 PolarHBondContact O-N 3.01Å; G8-F12 VanDerWaalsContact O-N 3.15Å; F12-Q14 VanDerWaalsContact C-N 3.34Å; F12-E15 PolarHBondContact O-N 3.31Å; F12-C16 WeakPolarHBondContact CZ-SG 3.21Å; F12-C16 WeakPolarHBondContact O-CB 3.3Å; F12-C16 PolarHBondContact O-N 3.23Å; F12-C16 PolarHBondContact O-SG 2.6Å; F12-I26 HydrophobicContact CE1-CD1 3.94Å; F12-I26 HydrophobicContact CE1-CG2 3.97Å; F12-I26 HydrophobicContact CZ-CG2 3.95Å
13D92.7Very high83.7Confident0 Ų065.4 Ų65.40%031%0.314CS..Hα-helixtrans-65.9-38.3176.7-64.6-30.5000112.1F9 F10 N11 C16 Y17 R325 P350 P353F9-D13 VanDerWaalsContact O-CG 3.24Å; F9-D13 PolarHBondContact O-N 2.86Å; F9-D13 VanDerWaalsContact O-N 3.12Å; F10-D13 PolarHBondContact O-N 3.12Å; N11-D13 VanDerWaalsContact C-N 3.34Å; N11-D13 PolarHBondContact O-N 2.87Å; D13-C16 PolarHBondContact O-N 3.16Å; D13-Y17 VanDerWaalsContact O-CB 3.29Å; D13-Y17 WeakPolarHBondContact O-CB 3.43Å; D13-Y17 PolarHBondContact O-N 3.33Å; D13-R325 IonicContact OD1-CZ 3.25Å; D13-R325 IonicContact OD1-NE 3.98Å; D13-R325 IonicContact OD1-NH2 2.83Å; D13-R325 PolarHBondContact OD1-NH2 3.03Å; D13-R325 IonicContact OD2-CZ 3.4Å; D13-R325 IonicContact OD2-NE 3.56Å; D13-R325 PolarHBondContact OD2-NE 3.04Å; D13-R325 IonicContact OD2-NH2 3.54Å; D13-R325 PolarHBondContact OD2-NH2 3.01Å; D13-P350 HydrophobicContact CB-CB 4.43Å; D13-P353 HydrophobicContact CB-CG 3.6Å
14Q92.8Very high86Confident13 Ų1360 Ų606%0.06129%0.285CS..Hα-helixtrans-63.1-43.5178.1-172.869.252.100111.5F10 N11 F12 R18F10-Q14 PolarHBondContact O-N 2.9Å; N11-Q14 WeakPolarHBondContact O-CB 3.49Å; N11-Q14 PolarHBondContact O-N 3.3Å; F12-Q14 VanDerWaalsContact C-N 3.34Å; Q14-R18 WeakPolarHBondContact O-CG 3.36Å; Q14-R18 PolarHBondContact O-N 3.44Å; Q14-R18 VanDerWaalsContact O-N 3.09Å
15E93.9Very high87.9Confident111 Ų11158.2 Ų58.252%0.51929%0.289SS..Hα-helixtrans-64.6-44175.6-71.5178.3-178.700111.7N11 F12 R18 K19N11-E15 WeakPolarHBondContact O-CG 3.48Å; N11-E15 PolarHBondContact O-N 3.17Å; F12-E15 PolarHBondContact O-N 3.31Å; E15-R18 PolarHBondContact O-N 2.83Å; E15-K19 WeakPolarHBondContact O-CB 3.45Å; E15-K19 PolarHBondContact O-N 3.06Å
16C95.1Very high89.7Confident9 Ų958.2 Ų58.26%0.06129%0.289CS..Hα-helixtrans-63.8-43.5177.3-68.30000111.7F12 D13 R18 K19 Y20 W24F12-C16 WeakPolarHBondContact CZ-SG 3.21Å; F12-C16 WeakPolarHBondContact O-CB 3.3Å; F12-C16 PolarHBondContact O-N 3.23Å; F12-C16 PolarHBondContact O-SG 2.6Å; D13-C16 PolarHBondContact O-N 3.16Å; C16-R18 VanDerWaalsContact C-N 3.35Å; C16-R18 PolarHBondContact O-N 3.08Å; C16-K19 PolarHBondContact O-N 3.41Å; C16-Y20 HydrophobicContact CB-CD2 4.07Å; C16-Y20 HydrophobicContact CB-CE2 4.43Å; C16-Y20 WeakPolarHBondContact O-CB 3.35Å; C16-Y20 WeakPolarHBondContact O-CD2 3.24Å; C16-Y20 PolarHBondContact O-N 3.18Å; C16-W24 HydrophobicContact CB-CD2 4.23Å; C16-W24 HydrophobicContact CB-CG 4.32Å; C16-W24 HydrophobicContact CB-CZ2 3.96Å; C16-W24 VanDerWaalsContact CB-NE1 3.33Å
17Y95.4Very high91.1Very high20 Ų2060.5 Ų60.58%0.07829%0.29CS..Hα-helixtrans-58.5-46.9177.3-174.7-118.3000111.5D13 K19 G21 K22 W24 A37 P353 D357D13-Y17 VanDerWaalsContact O-CB 3.29Å; D13-Y17 WeakPolarHBondContact O-CB 3.43Å; D13-Y17 PolarHBondContact O-N 3.33Å; Y17-K19 VanDerWaalsContact C-N 3.33Å; Y17-K19 PolarHBondContact O-N 2.95Å; Y17-G21 VanDerWaalsContact CD2-O 3.31Å; Y17-G21 WeakPolarHBondContact CD2-O 3.31Å; Y17-G21 VanDerWaalsContact O-CA 3.28Å; Y17-G21 WeakPolarHBondContact O-CA 3.45Å; Y17-G21 PolarHBondContact O-N 3.07Å; Y17-K22 HydrophobicContact CE2-CG 4.33Å; Y17-W24 HydrophobicContact CD2-CH2 4.08Å; Y17-W24 AromaticContact CD2-CZ3 3.68Å; Y17-W24 HydrophobicContact CD2-CZ3 3.68Å; Y17-W24 HydrophobicContact CG-CH2 4.5Å; Y17-W24 HydrophobicContact CG-CZ3 4.46Å; Y17-A37 HydrophobicContact CD2-CB 3.99Å; Y17-A37 HydrophobicContact CE2-CB 3.45Å; Y17-A37 VanDerWaalsContact CE2-CB 3.45Å; Y17-P353 HydrophobicContact CD1-CB 4.03Å; Y17-P353 HydrophobicContact CG-CB 3.99Å; Y17-D357 HydrophobicContact CE1-CB 4.15Å; Y17-D357 WeakPolarHBondContact CE1-OD2 3.38Å; Y17-D357 PolarHBondContact OH-OD2 2.99Å
18R93.8Very high91.8Very high184 Ų18455.4 Ų55.469%0.69426%0.263SS*.Hα-helixtrans-64.2-35.4177.3-73.5177.6-179.7163.43.8113.1Q14 E15 C16Q14-R18 WeakPolarHBondContact O-CG 3.36Å; Q14-R18 PolarHBondContact O-N 3.44Å; Q14-R18 VanDerWaalsContact O-N 3.09Å; E15-R18 PolarHBondContact O-N 2.83Å; C16-R18 VanDerWaalsContact C-N 3.35Å; C16-R18 PolarHBondContact O-N 3.08Å
19K96Very high92Very high152 Ų15256.3 Ų56.366%0.66127%0.272SS*.Hα-helixtrans-84-40.6-174.8-175.4175.1177.1-171.60113.5E15 C16 Y17E15-K19 WeakPolarHBondContact O-CB 3.45Å; E15-K19 PolarHBondContact O-N 3.06Å; C16-K19 PolarHBondContact O-N 3.41Å; Y17-K19 VanDerWaalsContact C-N 3.33Å; Y17-K19 PolarHBondContact O-N 2.95Å
20Y96Very high92Very high131 Ų13164.1 Ų64.151%0.51430%0.301SS..Hα-helixtrans-110-9.4-170.5-56-64.4000113.2C16 W24C16-Y20 HydrophobicContact CB-CD2 4.07Å; C16-Y20 HydrophobicContact CB-CE2 4.43Å; C16-Y20 WeakPolarHBondContact O-CB 3.35Å; C16-Y20 WeakPolarHBondContact O-CD2 3.24Å; C16-Y20 PolarHBondContact O-N 3.18Å; Y20-W24 HydrophobicContact CD2-CB 4.19Å; Y20-W24 HydrophobicContact CD2-CG 4.39Å; Y20-W24 HydrophobicContact CG-CB 4.15Å
21G94.7Very high92.2Very high30 Ų3066.6 Ų66.631%0.30931%0.313SS..  trans81.9-149.2179.800000112.9Y17 I23Y17-G21 VanDerWaalsContact CD2-O 3.31Å; Y17-G21 WeakPolarHBondContact CD2-O 3.31Å; Y17-G21 VanDerWaalsContact O-CA 3.28Å; Y17-G21 WeakPolarHBondContact O-CA 3.45Å; Y17-G21 PolarHBondContact O-N 3.07Å; G21-I23 VanDerWaalsContact C-N 3.32Å; G21-I23 PolarHBondContact O-N 3.42Å
22K94.2Very high92.4Very high94 Ų9465.3 Ų65.341%0.40931%0.308SS..SBendtrans-72.5-19.3-167.6-64.9-178.6179.8179.90115.2Y17 A37Y17-K22 HydrophobicContact CE2-CG 4.33Å; K22-A37 WeakPolarHBondContact O-CB 3.5Å; K22-A37 PolarHBondContact O-N 2.94Å
23I96.2Very high92.7Very high65 Ų6564.7 Ų64.733%0.33331%0.306SS..EExtended strand (participates in β ladder)trans-137.9126.9-177.6-54.9176.3000108.6G21 L34 C35 I41 L339G21-I23 VanDerWaalsContact C-N 3.32Å; G21-I23 PolarHBondContact O-N 3.42Å; I23-L34 HydrophobicContact CG2-CD1 3.83Å; I23-C35 WeakPolarHBondContact CA-O 3.3Å; I23-I41 HydrophobicContact CD1-CD1 3.57Å; I23-L339 HydrophobicContact CG2-CD2 4.41Å
24W96.9Very high92.9Very high12 Ų1265.3 Ų65.35%0.04531%0.309CS..EExtended strand (participates in β ladder)trans-150161.4175.371.598.2000111.8C16 Y17 Y20 C35 A37 P350C16-W24 HydrophobicContact CB-CD2 4.23Å; C16-W24 HydrophobicContact CB-CG 4.32Å; C16-W24 HydrophobicContact CB-CZ2 3.96Å; C16-W24 VanDerWaalsContact CB-NE1 3.33Å; Y17-W24 HydrophobicContact CD2-CH2 4.08Å; Y17-W24 AromaticContact CD2-CZ3 3.68Å; Y17-W24 HydrophobicContact CD2-CZ3 3.68Å; Y17-W24 HydrophobicContact CG-CH2 4.5Å; Y17-W24 HydrophobicContact CG-CZ3 4.46Å; Y20-W24 HydrophobicContact CD2-CB 4.19Å; Y20-W24 HydrophobicContact CD2-CG 4.39Å; Y20-W24 HydrophobicContact CG-CB 4.15Å; W24-C35 HydrophobicContact CD2-CB 3.38Å; W24-C35 HydrophobicContact CE3-CB 3.78Å; W24-C35 HydrophobicContact CG-CB 3.92Å; W24-C35 HydrophobicContact CH2-CB 3.91Å; W24-C35 HydrophobicContact CZ2-CB 3.46Å; W24-C35 VanDerWaalsContact CZ2-CB 3.46Å; W24-C35 HydrophobicContact CZ3-CB 3.99Å; W24-C35 PolarHBondContact N-O 2.8Å; W24-C35 VanDerWaalsContact N-O 3.09Å; W24-C35 PolarHBondContact NE1-SG 3.18Å; W24-C35 VanDerWaalsContact NE1-SG 3.41Å; W24-C35 PolarHBondContact O-N 3.16Å; W24-A37 HydrophobicContact CZ3-CB 4.42Å; W24-P350 HydrophobicContact CH2-CB 3.94Å; W24-P350 HydrophobicContact CH2-CG 3.5Å; W24-P350 VanDerWaalsContact CH2-CG 3.5Å; W24-P350 HydrophobicContact CZ2-CB 4.39Å; W24-P350 HydrophobicContact CZ2-CG 4.33Å; W24-P350 HydrophobicContact CZ3-CG 4.11Å
25G95.4Very high93.1Very high56 Ų5664.7 Ų64.758%0.57731%0.306SS*.EExtended strand (participates in β ladder)trans-110.3139.9177.100000111.5V33G25-V33 WeakPolarHBondContact CA-O 3.46Å
26I94.3Very high93.3Very high13 Ų1359.4 Ų59.47%0.06728%0.281CS..EExtended strand (participates in β ladder)trans-131158.1168.868.9179000110.2F12 V33F12-I26 HydrophobicContact CE1-CD1 3.94Å; F12-I26 HydrophobicContact CE1-CG2 3.97Å; F12-I26 HydrophobicContact CZ-CG2 3.95Å; I26-V33 HydrophobicContact CD1-CB 4.38Å; I26-V33 HydrophobicContact CD1-CG1 4.43Å; I26-V33 HydrophobicContact CG1-CB 3.69Å; I26-V33 HydrophobicContact CG1-CG1 4.15Å; I26-V33 HydrophobicContact CG1-CG2 4.38Å; I26-V33 PolarHBondContact N-O 3.08Å; I26-V33 PolarHBondContact O-N 3.17Å; I26-V33 VanDerWaalsContact O-O 3.12Å
27Y89.8Confident93.3Very high154 Ų15459 Ų5960%0.60428%0.279SS*.EExtended strand (participates in β ladder)trans-113123.3170.9-73.3-91.6000109.9P32Y27-P32 HydrophobicContact CD1-CB 4.3Å; Y27-P32 HydrophobicContact CE1-CB 3.86Å
28D84.1Confident93.3Very high7 Ų760.1 Ų60.14%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-101.677.2177.1-111.913.7000108R30 Q31 V33 R58 K176D28-R30 PolarHBondContact O-N 3.28Å; D28-Q31 HydrophobicContact CB-CB 4.36Å; D28-Q31 PolarHBondContact N-O 3.41Å; D28-Q31 PolarHBondContact O-N 3.41Å; D28-V33 HydrophobicContact CB-CG2 3.89Å; D28-R58 IonicContact OD2-CZ 3.61Å; D28-R58 IonicContact OD2-NH1 3.46Å; D28-R58 PolarHBondContact OD2-NH1 3.29Å; D28-R58 IonicContact OD2-NH2 3.34Å; D28-K176 WeakPolarHBondContact O-CE 3.5Å; D28-K176 IonicContact OD1-NZ 2.83Å; D28-K176 WeakPolarHBondContact OD2-CE 3.39Å; D28-K176 IonicContact OD2-NZ 3.36Å; D28-K176 PolarHBondContact OD2-NZ 2.91Å
29G83.8Confident93.4Very high19 Ų1952.6 Ų52.620%0.19626%0.261CS..THydrogen-bonded Turntrans71.4-118-166.900000108.4
30R83.9Confident93.4Very high191 Ų19149.8 Ų49.872%0.72125%0.25SS*.THydrogen-bonded Turntrans-91.5-8.6174.6-62179.670.2106.70114.2D28 P32D28-R30 PolarHBondContact O-N 3.28Å; R30-P32 VanDerWaalsContact O-CD 3.27Å; R30-P32 WeakPolarHBondContact O-CD 3.21Å
31Q88.1Confident93.4Very high55 Ų5543.9 Ų43.926%0.25723%0.228SC..EExtended strand (participates in β ladder)trans-80.5118.1-179.3179.765.558.200110.1D28 V33 R58 D344 V346D28-Q31 HydrophobicContact CB-CB 4.36Å; D28-Q31 PolarHBondContact N-O 3.41Å; D28-Q31 PolarHBondContact O-N 3.41Å; Q31-V33 HydrophobicContact CG-CG2 4.21Å; Q31-R58 VanDerWaalsContact CG-NH2 3.34Å; Q31-D344 PolarHBondContact NE2-O 2.88Å; Q31-V346 HydrophobicContact CG-CG2 3.78Å
32P93.2Very high93.6Very high41 Ų4142.5 Ų42.527%0.26621%0.213SC..EExtended strand (participates in β ladder)trans-70134.916729.6-34.4000110.2Y27 R30 M345 V346Y27-P32 HydrophobicContact CD1-CB 4.3Å; Y27-P32 HydrophobicContact CE1-CB 3.86Å; R30-P32 VanDerWaalsContact O-CD 3.27Å; R30-P32 WeakPolarHBondContact O-CD 3.21Å; P32-M345 HydrophobicContact CB-CE 4.11Å; P32-M345 HydrophobicContact CB-CG 4.18Å; P32-M345 HydrophobicContact CG-CG 4.23Å; P32-V346 PolarHBondContact O-N 2.78Å
33V95.9Very high93.7Very high1 Ų141 Ų411%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-128.2123.4177.2-175.30000108.7G25 I26 D28 Q31 V346 L348G25-V33 WeakPolarHBondContact CA-O 3.46Å; I26-V33 HydrophobicContact CD1-CB 4.38Å; I26-V33 HydrophobicContact CD1-CG1 4.43Å; I26-V33 HydrophobicContact CG1-CB 3.69Å; I26-V33 HydrophobicContact CG1-CG1 4.15Å; I26-V33 HydrophobicContact CG1-CG2 4.38Å; I26-V33 PolarHBondContact N-O 3.08Å; I26-V33 PolarHBondContact O-N 3.17Å; I26-V33 VanDerWaalsContact O-O 3.12Å; D28-V33 HydrophobicContact CB-CG2 3.89Å; Q31-V33 HydrophobicContact CG-CG2 4.21Å; V33-V346 CarbonylContact C-O 3.26Å; V33-V346 VanDerWaalsContact CA-O 3.28Å; V33-V346 WeakPolarHBondContact CA-O 3.48Å; V33-V346 HydrophobicContact CB-CB 4.46Å; V33-V346 HydrophobicContact CG1-CB 4.26Å; V33-V346 HydrophobicContact CG1-CG1 4.09Å; V33-V346 HydrophobicContact CG2-CB 4.12Å; V33-L348 HydrophobicContact CG1-CB 3.62Å; V33-L348 HydrophobicContact CG1-CD1 4.02Å
34L97.4Very high93.8Very high13 Ų1338.2 Ų38.27%0.06819%0.193CC..EExtended strand (participates in β ladder)trans-95.8117.3172.7177.367.7000108.6I23 V36 L339 I341 M345 V346 V347 L348I23-L34 HydrophobicContact CG2-CD1 3.83Å; L34-V36 HydrophobicContact CD2-CG2 3.87Å; L34-V36 HydrophobicContact CG-CG2 3.77Å; L34-L339 HydrophobicContact CD1-CD2 4.15Å; L34-L339 HydrophobicContact CD2-CD2 3.35Å; L34-L339 HydrophobicContact CD2-CG 4.38Å; L34-L339 HydrophobicContact CG-CD2 4.28Å; L34-I341 HydrophobicContact CD2-CD1 3.94Å; L34-I341 HydrophobicContact CD2-CG1 3.8Å; L34-M345 HydrophobicContact CB-CE 3.55Å; L34-M345 HydrophobicContact CB-CG 4.49Å; L34-M345 HydrophobicContact CB-SD 3.83Å; L34-V346 PolarHBondContact N-O 3Å; L34-V347 HydrophobicContact CD2-CG2 4.48Å; L34-V347 CarbonylContact O-C 3.49Å; L34-V347 WeakPolarHBondContact O-CA 3.42Å; L34-L348 PolarHBondContact O-N 3.33Å
35C97.5Very high93.7Very high0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-92.1126175.1-61.30000109.7I23 W24 L348I23-C35 WeakPolarHBondContact CA-O 3.3Å; W24-C35 HydrophobicContact CD2-CB 3.38Å; W24-C35 HydrophobicContact CE3-CB 3.78Å; W24-C35 HydrophobicContact CG-CB 3.92Å; W24-C35 HydrophobicContact CH2-CB 3.91Å; W24-C35 HydrophobicContact CZ2-CB 3.46Å; W24-C35 VanDerWaalsContact CZ2-CB 3.46Å; W24-C35 HydrophobicContact CZ3-CB 3.99Å; W24-C35 PolarHBondContact N-O 2.8Å; W24-C35 VanDerWaalsContact N-O 3.09Å; W24-C35 PolarHBondContact NE1-SG 3.18Å; W24-C35 VanDerWaalsContact NE1-SG 3.41Å; W24-C35 PolarHBondContact O-N 3.16Å; C35-L348 CarbonylContact C-O 3.56Å; C35-L348 VanDerWaalsContact CA-O 3.28Å; C35-L348 WeakPolarHBondContact CA-O 3.48Å; C35-L348 HydrophobicContact CB-CD2 4.44Å
36V96.9Very high93.8Very high0 Ų035 Ų350%016%0.164CC..EExtended strand (participates in β ladder)trans-128.1118.9-175.2-176.90000110.2L34 D38 I41 I42 V347 L348 P350L34-V36 HydrophobicContact CD2-CG2 3.87Å; L34-V36 HydrophobicContact CG-CG2 3.77Å; V36-D38 HydrophobicContact CG1-CB 4.47Å; V36-I41 HydrophobicContact CG1-CB 3.65Å; V36-I41 HydrophobicContact CG1-CD1 4.44Å; V36-I41 HydrophobicContact CG1-CG2 3.56Å; V36-I41 HydrophobicContact CG2-CG2 4.42Å; V36-I42 HydrophobicContact CG1-CG1 4.16Å; V36-V347 HydrophobicContact CB-CG1 4.36Å; V36-V347 HydrophobicContact CG2-CG1 3.73Å; V36-L348 PolarHBondContact N-O 3.31Å; V36-P350 WeakPolarHBondContact O-CD 3.36Å
37A96.2Very high94Very high2 Ų236.9 Ų36.92%0.01718%0.175CC..  trans-114.96.5174.900000112.8Y17 K22 W24 P350 L354Y17-A37 HydrophobicContact CD2-CB 3.99Å; Y17-A37 HydrophobicContact CE2-CB 3.45Å; Y17-A37 VanDerWaalsContact CE2-CB 3.45Å; K22-A37 WeakPolarHBondContact O-CB 3.5Å; K22-A37 PolarHBondContact O-N 2.94Å; W24-A37 HydrophobicContact CZ3-CB 4.42Å; A37-P350 HydrophobicContact CB-CG 4.11Å; A37-L354 HydrophobicContact CB-CD2 3.82Å; A37-L354 HydrophobicContact CB-CG 4.13Å; A37-L354 WeakPolarHBondContact O-CD2 3.38Å
38D95.8Very high94.3Very high43 Ų4335.4 Ų35.423%0.2317%0.172CC..  trans-81.4122.1174.6-175.4-84.7000111.6V36 E40 I41 I42V36-D38 HydrophobicContact CG1-CB 4.47Å; D38-E40 VanDerWaalsContact C-N 3.34Å; D38-E40 PolarHBondContact O-N 2.85Å; D38-E40 PolarHBondContact OD1-N 2.88Å; D38-I41 HydrophobicContact CB-CB 4.28Å; D38-I41 HydrophobicContact CB-CD1 4.05Å; D38-I41 HydrophobicContact CB-CG1 4.08Å; D38-I41 PolarHBondContact O-N 2.78Å; D38-I41 PolarHBondContact OD1-N 2.7Å; D38-I42 WeakPolarHBondContact O-CB 3.25Å; D38-I42 WeakPolarHBondContact O-CD1 3.45Å; D38-I42 WeakPolarHBondContact O-CG1 3.31Å; D38-I42 PolarHBondContact O-N 2.87Å
39P95.4Very high94.9Very high26 Ų2637.7 Ų37.717%0.16918%0.182CC..Hα-helixtrans-57-38.1-176-29.537.5000115.2I42 K43 D382 T385P39-I42 PolarHBondContact O-N 2.96Å; P39-K43 VanDerWaalsContact O-CB 3.31Å; P39-K43 WeakPolarHBondContact O-CB 3.45Å; P39-K43 PolarHBondContact O-N 3.47Å; P39-D382 VanDerWaalsContact CB-OD2 3.25Å; P39-D382 WeakPolarHBondContact CB-OD2 3.33Å; P39-T385 HydrophobicContact CG-CG2 3.82Å
40E95.8Very high95.4Very high92 Ų9236.8 Ų36.843%0.4317%0.173SC..Hα-helixtrans-72.2-38.4-177.7-74.8-60.3133.800111.4D38 K43 A44D38-E40 VanDerWaalsContact C-N 3.34Å; D38-E40 PolarHBondContact O-N 2.85Å; D38-E40 PolarHBondContact OD1-N 2.88Å; E40-K43 PolarHBondContact O-N 2.72Å; E40-A44 PolarHBondContact O-N 2.71Å
41I96.4Very high96Very high8 Ų833.7 Ų33.74%0.04116%0.162CC..Hα-helixtrans-69-41.8173.8-54.6-179000110.2I23 V36 D38 K43 A44 I45 I336 N337I23-I41 HydrophobicContact CD1-CD1 3.57Å; V36-I41 HydrophobicContact CG1-CB 3.65Å; V36-I41 HydrophobicContact CG1-CD1 4.44Å; V36-I41 HydrophobicContact CG1-CG2 3.56Å; V36-I41 HydrophobicContact CG2-CG2 4.42Å; D38-I41 HydrophobicContact CB-CB 4.28Å; D38-I41 HydrophobicContact CB-CD1 4.05Å; D38-I41 HydrophobicContact CB-CG1 4.08Å; D38-I41 PolarHBondContact O-N 2.78Å; D38-I41 PolarHBondContact OD1-N 2.7Å; I41-K43 VanDerWaalsContact C-N 3.32Å; I41-K43 PolarHBondContact O-N 3.38Å; I41-A44 WeakPolarHBondContact O-CB 3.4Å; I41-A44 PolarHBondContact O-N 2.78Å; I41-I45 HydrophobicContact CG2-CD1 3.69Å; I41-I45 HydrophobicContact CG2-CG1 4.29Å; I41-I45 WeakPolarHBondContact O-CG1 3.46Å; I41-I45 PolarHBondContact O-N 2.97Å; I41-I336 HydrophobicContact CG2-CG2 4.02Å; I41-N337 HydrophobicContact CD1-CB 4.47Å; I41-N337 HydrophobicContact CG1-CB 4.02Å
42I97.6Very high96.3Very high0 Ų034.2 Ų34.20%017%0.172CC..Hα-helixtrans-57.7-46.2175.4-70.4164.1000110.5V36 D38 P39 A44 I45 L46 V349 L354 Y384 M387V36-I42 HydrophobicContact CG1-CG1 4.16Å; D38-I42 WeakPolarHBondContact O-CB 3.25Å; D38-I42 WeakPolarHBondContact O-CD1 3.45Å; D38-I42 WeakPolarHBondContact O-CG1 3.31Å; D38-I42 PolarHBondContact O-N 2.87Å; P39-I42 PolarHBondContact O-N 2.96Å; I42-A44 VanDerWaalsContact C-N 3.35Å; I42-A44 PolarHBondContact O-N 2.93Å; I42-I45 PolarHBondContact O-N 3.01Å; I42-L46 HydrophobicContact CG2-CD1 3.67Å; I42-L46 HydrophobicContact CG2-CG 4.17Å; I42-L46 WeakPolarHBondContact O-CB 3.32Å; I42-L46 WeakPolarHBondContact O-CG 3.22Å; I42-L46 PolarHBondContact O-N 2.71Å; I42-V349 HydrophobicContact CD1-CG1 3.74Å; I42-V349 HydrophobicContact CG1-CG1 3.94Å; I42-V349 HydrophobicContact CG1-CG2 4.05Å; I42-V349 HydrophobicContact CG2-CG1 4.37Å; I42-V349 HydrophobicContact CG2-CG2 4.46Å; I42-L354 HydrophobicContact CD1-CD1 3.83Å; I42-Y384 HydrophobicContact CG2-CD1 4.05Å; I42-Y384 HydrophobicContact CG2-CG 4.41Å; I42-M387 HydrophobicContact CD1-CE 4.32Å; I42-M387 HydrophobicContact CG2-CE 4.01Å; I42-M387 HydrophobicContact CG2-SD 3.82Å
43K97.3Very high96.4Very high64 Ų6435.2 Ų35.228%0.27817%0.172SC..Hα-helixtrans-58.8-44.6175.4175.7176.3-166176.40112.2P39 E40 I41 V47 K48 Y384P39-K43 VanDerWaalsContact O-CB 3.31Å; P39-K43 WeakPolarHBondContact O-CB 3.45Å; P39-K43 PolarHBondContact O-N 3.47Å; E40-K43 PolarHBondContact O-N 2.72Å; I41-K43 VanDerWaalsContact C-N 3.32Å; I41-K43 PolarHBondContact O-N 3.38Å; K43-V47 WeakPolarHBondContact O-CB 3.21Å; K43-V47 PolarHBondContact O-N 3.09Å; K43-V47 VanDerWaalsContact O-N 3.09Å; K43-K48 PolarHBondContact O-N 3.17Å; K43-Y384 HydrophobicContact CB-CD1 3.94Å; K43-Y384 HydrophobicContact CB-CD2 3.92Å; K43-Y384 HydrophobicContact CB-CE1 3.71Å; K43-Y384 HydrophobicContact CB-CE2 3.7Å; K43-Y384 HydrophobicContact CB-CG 4.06Å; K43-Y384 HydrophobicContact CD-CD2 4.29Å; K43-Y384 HydrophobicContact CD-CE2 3.52Å; K43-Y384 HydrophobicContact CG-CD2 4.43Å; K43-Y384 HydrophobicContact CG-CE1 3.96Å; K43-Y384 HydrophobicContact CG-CE2 3.71Å; K43-Y384 VanDerWaalsContact CG-CZ 3.43Å; K43-Y384 WeakPolarHBondContact CG-OH 3.35Å
44A97.2Very high96.4Very high5 Ų535.2 Ų35.24%0.04117%0.172CC..Iπ-helixtrans-60.4-48.4177.200000111.2E40 I41 I42 K48 E49 I336E40-A44 PolarHBondContact O-N 2.71Å; I41-A44 WeakPolarHBondContact O-CB 3.4Å; I41-A44 PolarHBondContact O-N 2.78Å; I42-A44 VanDerWaalsContact C-N 3.35Å; I42-A44 PolarHBondContact O-N 2.93Å; A44-K48 PolarHBondContact O-N 3.13Å; A44-E49 WeakPolarHBondContact O-CB 3.28Å; A44-E49 PolarHBondContact O-N 2.86Å; A44-I336 HydrophobicContact CB-CG2 3.56Å
45I96.7Very high96.4Very high1 Ų134.6 Ų34.61%0.00517%0.169CC..Iπ-helixtrans-72-48.3-175.2-66.6176.1000112.4I41 I42 F54 R328 I341 V347I41-I45 HydrophobicContact CG2-CD1 3.69Å; I41-I45 HydrophobicContact CG2-CG1 4.29Å; I41-I45 WeakPolarHBondContact O-CG1 3.46Å; I41-I45 PolarHBondContact O-N 2.97Å; I42-I45 PolarHBondContact O-N 3.01Å; I45-F54 HydrophobicContact CB-CD2 4.23Å; I45-F54 HydrophobicContact CB-CE2 4.47Å; I45-F54 HydrophobicContact CB-CG 4.44Å; I45-F54 HydrophobicContact CG1-CD2 4.18Å; I45-F54 HydrophobicContact CG1-CE2 3.91Å; I45-F54 HydrophobicContact CG1-CZ 4.12Å; I45-F54 HydrophobicContact CG2-CB 4.03Å; I45-F54 HydrophobicContact CG2-CD1 3.94Å; I45-F54 HydrophobicContact CG2-CD2 4.01Å; I45-F54 HydrophobicContact CG2-CE1 4.4Å; I45-F54 HydrophobicContact CG2-CE2 4.48Å; I45-F54 HydrophobicContact CG2-CG 3.72Å; I45-F54 WeakPolarHBondContact O-CB 3.27Å; I45-R328 HydrophobicContact CG2-CB 4.37Å; I45-R328 HydrophobicContact CG2-CG 4.31Å; I45-I341 HydrophobicContact CD1-CD1 4.04Å; I45-V347 HydrophobicContact CD1-CB 4.23Å; I45-V347 HydrophobicContact CD1-CG1 3.41Å; I45-V347 VanDerWaalsContact CD1-CG1 3.41Å; I45-V347 HydrophobicContact CD1-CG2 4.18Å; I45-V347 HydrophobicContact CG2-CB 4.43Å; I45-V347 HydrophobicContact CG2-CG1 4.28Å
46L97.2Very high96.4Very high1 Ų135 Ų351%0.00517%0.171CC..Iπ-helixtrans-83.3-21.8-172.6-61.2-173.3000113.4I42 L326 R328 V349 M387 V391I42-L46 HydrophobicContact CG2-CD1 3.67Å; I42-L46 HydrophobicContact CG2-CG 4.17Å; I42-L46 WeakPolarHBondContact O-CB 3.32Å; I42-L46 WeakPolarHBondContact O-CG 3.22Å; I42-L46 PolarHBondContact O-N 2.71Å; L46-L326 HydrophobicContact CD1-CD1 4.1Å; L46-R328 HydrophobicContact CD2-CG 3.85Å; L46-V349 HydrophobicContact CD1-CG2 4.22Å; L46-M387 HydrophobicContact CD1-SD 3.96Å; L46-V391 HydrophobicContact CB-CG1 3.8Å; L46-V391 HydrophobicContact CD1-CG1 3.48Å; L46-V391 VanDerWaalsContact CD1-CG1 3.48Å; L46-V391 HydrophobicContact CG-CG1 4.3Å
47V97Very high96.2Very high51 Ų5137.5 Ų37.531%0.30918%0.181SC..Iπ-helixtrans-120.8-67-175.6-172.80000112K43 E49 Y384 V391K43-V47 WeakPolarHBondContact O-CB 3.21Å; K43-V47 PolarHBondContact O-N 3.09Å; K43-V47 VanDerWaalsContact O-N 3.09Å; V47-E49 PolarHBondContact O-N 3.48Å; V47-Y384 HydrophobicContact CG2-CE1 3.86Å; V47-V391 HydrophobicContact CG2-CG2 4.16Å
48K96.7Very high95.9Very high124 Ų12438.6 Ų38.654%0.53918%0.184SC..Iπ-helixtrans-62.3-48.6-168.9-61.1-178-179.4171.60111.8K43 A44K43-K48 PolarHBondContact O-N 3.17Å; A44-K48 PolarHBondContact O-N 3.13Å
49E96.3Very high95.3Very high54 Ų5438.1 Ų38.125%0.25218%0.182SC..THydrogen-bonded Turntrans-103.214.8-174-61.9-52.2150.800113.6A44 V47 Y51 S52 F53 F54 I336A44-E49 WeakPolarHBondContact O-CB 3.28Å; A44-E49 PolarHBondContact O-N 2.86Å; V47-E49 PolarHBondContact O-N 3.48Å; E49-Y51 VanDerWaalsContact C-N 3.34Å; E49-Y51 PolarHBondContact O-N 3.19Å; E49-S52 PolarHBondContact O-N 3.33Å; E49-S52 VanDerWaalsContact OE2-CB 3.29Å; E49-S52 WeakPolarHBondContact OE2-CB 3.48Å; E49-S52 PolarHBondContact OE2-OG 3.45Å; E49-S52 VanDerWaalsContact OE2-OG 3.08Å; E49-F53 HydrophobicContact CB-CD2 4.06Å; E49-F53 HydrophobicContact CG-CD2 4.19Å; E49-F53 PolarHBondContact O-N 2.72Å; E49-F53 WeakPolarHBondContact OE2-CD2 2.93Å; E49-F53 WeakPolarHBondContact OE2-CE2 3.43Å; E49-F54 HydrophobicContact CB-CD2 3.87Å; E49-F54 HydrophobicContact CB-CE2 4.24Å; E49-F54 PolarHBondContact O-N 2.75Å; E49-F54 VanDerWaalsContact O-N 3.08Å; E49-I336 HydrophobicContact CG-CD1 3.98Å
50C95.6Very high94.3Very high0 Ų039.7 Ų39.70%019%0.186CC..THydrogen-bonded Turntrans-59.7-42.8-177.8-179.10000111.8F54 T55 P393C50-F54 CarbonylContact O-C 3.21Å; C50-T55 WeakPolarHBondContact O-CA 3.37Å; C50-T55 WeakPolarHBondContact O-CB 3.48Å; C50-T55 PolarHBondContact O-N 3.44Å; C50-T55 PolarHBondContact O-OG1 2.79Å; C50-P393 HydrophobicContact CB-CG 4.19Å
51Y94.9Very high93.1Very high127 Ų12740.3 Ų40.350%0.49819%0.189SC..THydrogen-bonded Turntrans-82.5-25.6-178.4-65.2-60.6000113.4E49 T55 W78 K79 P393E49-Y51 VanDerWaalsContact C-N 3.34Å; E49-Y51 PolarHBondContact O-N 3.19Å; Y51-T55 PolarHBondContact O-OG1 2.8Å; Y51-W78 HydrophobicContact CD1-CZ3 4.2Å; Y51-W78 HydrophobicContact CE1-CH2 4.06Å; Y51-W78 AromaticContact CE1-CZ3 3.77Å; Y51-W78 HydrophobicContact CE1-CZ3 3.77Å; Y51-K79 HydrophobicContact CD1-CD 4.25Å; Y51-K79 HydrophobicContact CD1-CG 4.45Å; Y51-K79 HydrophobicContact CE1-CD 4.38Å; Y51-K79 HydrophobicContact CE1-CG 4.24Å; Y51-P393 HydrophobicContact CD2-CG 4.49Å; Y51-P393 HydrophobicContact CE1-CB 4.11Å; Y51-P393 HydrophobicContact CE1-CG 4.44Å; Y51-P393 HydrophobicContact CE2-CB 4.19Å; Y51-P393 HydrophobicContact CE2-CG 3.7Å; Y51-P393 WeakPolarHBondContact OH-CB 3.42Å
52S94.7Very high92Very high65 Ų6540 Ų4046%0.45519%0.187SC..THydrogen-bonded Turntrans-81.3-59.3-177.5-41.80000111.5E49E49-S52 PolarHBondContact O-N 3.33Å; E49-S52 VanDerWaalsContact OE2-CB 3.29Å; E49-S52 WeakPolarHBondContact OE2-CB 3.48Å; E49-S52 PolarHBondContact OE2-OG 3.45Å; E49-S52 VanDerWaalsContact OE2-OG 3.08Å
53F95.6Very high91Very high63 Ų6340.4 Ų40.428%0.27619%0.189SC..THydrogen-bonded Turntrans-121.6-30.5-165.3-59.8-69.1000113.6E49 K331 A332 V334E49-F53 HydrophobicContact CB-CD2 4.06Å; E49-F53 HydrophobicContact CG-CD2 4.19Å; E49-F53 PolarHBondContact O-N 2.72Å; E49-F53 WeakPolarHBondContact OE2-CD2 2.93Å; E49-F53 WeakPolarHBondContact OE2-CE2 3.43Å; F53-K331 WeakPolarHBondContact O-CG 3.44Å; F53-K331 PolarHBondContact O-N 2.96Å; F53-A332 HydrophobicContact CD1-CB 4.14Å; F53-A332 HydrophobicContact CE1-CB 4.28Å; F53-V334 HydrophobicContact CB-CG1 4.35Å; F53-V334 HydrophobicContact CD1-CB 4.24Å; F53-V334 HydrophobicContact CD1-CG2 4.45Å; F53-V334 HydrophobicContact CD2-CB 4.47Å; F53-V334 HydrophobicContact CD2-CG2 3.91Å; F53-V334 HydrophobicContact CE1-CB 4.45Å; F53-V334 HydrophobicContact CE1-CG2 4.44Å; F53-V334 HydrophobicContact CE2-CG2 3.91Å; F53-V334 HydrophobicContact CG-CB 4.25Å; F53-V334 HydrophobicContact CG-CG1 4.32Å; F53-V334 HydrophobicContact CG-CG2 4.2Å; F53-V334 HydrophobicContact CZ-CG2 4.19Å
54F97Very high90.3Very high0 Ų039 Ų390%019%0.193CC..  trans-120.445.5-169.7-60.2-74.2000112.6I45 E49 C50 R328 A330 V334 I336 I341 V347I45-F54 HydrophobicContact CB-CD2 4.23Å; I45-F54 HydrophobicContact CB-CE2 4.47Å; I45-F54 HydrophobicContact CB-CG 4.44Å; I45-F54 HydrophobicContact CG1-CD2 4.18Å; I45-F54 HydrophobicContact CG1-CE2 3.91Å; I45-F54 HydrophobicContact CG1-CZ 4.12Å; I45-F54 HydrophobicContact CG2-CB 4.03Å; I45-F54 HydrophobicContact CG2-CD1 3.94Å; I45-F54 HydrophobicContact CG2-CD2 4.01Å; I45-F54 HydrophobicContact CG2-CE1 4.4Å; I45-F54 HydrophobicContact CG2-CE2 4.48Å; I45-F54 HydrophobicContact CG2-CG 3.72Å; I45-F54 WeakPolarHBondContact O-CB 3.27Å; E49-F54 HydrophobicContact CB-CD2 3.87Å; E49-F54 HydrophobicContact CB-CE2 4.24Å; E49-F54 PolarHBondContact O-N 2.75Å; E49-F54 VanDerWaalsContact O-N 3.08Å; C50-F54 CarbonylContact O-C 3.21Å; F54-R328 HydrophobicContact CB-CB 3.95Å; F54-R328 HydrophobicContact CB-CG 4.18Å; F54-R328 HydrophobicContact CD1-CB 4.19Å; F54-R328 VanDerWaalsContact O-CD 3.23Å; F54-R328 WeakPolarHBondContact O-CD 3.38Å; F54-A330 HydrophobicContact CD1-CB 4.34Å; F54-A330 HydrophobicContact CE1-CB 3.74Å; F54-A330 HydrophobicContact CZ-CB 4.5Å; F54-V334 HydrophobicContact CE2-CG1 4.04Å; F54-V334 HydrophobicContact CZ-CG1 3.71Å; F54-I336 HydrophobicContact CE2-CD1 4.33Å; F54-I336 HydrophobicContact CE2-CG1 4.16Å; F54-I336 HydrophobicContact CZ-CG1 4.4Å; F54-I341 HydrophobicContact CE1-CD1 4.39Å; F54-I341 HydrophobicContact CE1-CG2 4.32Å; F54-I341 HydrophobicContact CZ-CD1 3.86Å; F54-I341 HydrophobicContact CZ-CG2 4.46Å; F54-V347 HydrophobicContact CD1-CG2 4.2Å; F54-V347 HydrophobicContact CE1-CG2 3.63Å; F54-V347 HydrophobicContact CZ-CG2 4.46Å
55T96.6Very high89.6Confident0 Ų040.1 Ų40.10%020%0.202CC..  trans-75-42.6-175.2-45.40000111.9C50 Y51 W78 K331 R394C50-T55 WeakPolarHBondContact O-CA 3.37Å; C50-T55 WeakPolarHBondContact O-CB 3.48Å; C50-T55 PolarHBondContact O-N 3.44Å; C50-T55 PolarHBondContact O-OG1 2.79Å; Y51-T55 PolarHBondContact O-OG1 2.8Å; T55-W78 HydrophobicContact CG2-CE3 3.67Å; T55-W78 HydrophobicContact CG2-CZ3 3.82Å; T55-K331 VanDerWaalsContact CB-NZ 3.27Å; T55-K331 WeakPolarHBondContact OG1-CE 3.35Å; T55-K331 PolarHBondContact OG1-NZ 2.84Å; T55-R394 WeakPolarHBondContact O-CD 3.34Å; T55-R394 PolarHBondContact O-NH1 2.91Å
56N96.8Very high89.1Confident10 Ų1040.1 Ų40.15%0.05320%0.202CC..PPolyproline II helixtrans-93.8147.8-166.4-59.6-25.1000112E74 D75 R328 V329 R394N56-E74 HydrophobicContact CB-CG 4.21Å; N56-E74 PolarHBondContact ND2-OE2 3.07Å; N56-E74 WeakPolarHBondContact OD1-CA 3.3Å; N56-D75 PolarHBondContact ND2-OD1 2.68Å; N56-D75 PolarHBondContact OD1-N 2.59Å; N56-D75 PolarHBondContact OD1-OD1 3.48Å; N56-R328 CarbonylContact O-C 3.45Å; N56-R328 VanDerWaalsContact O-CA 3.23Å; N56-R328 WeakPolarHBondContact O-CA 3.27Å; N56-V329 PolarHBondContact O-N 3.15Å; N56-R394 PolarHBondContact OD1-NH1 3.11Å
57R94.3Very high88.6Confident51 Ų5146.1 Ų46.119%0.19223%0.226CC..PPolyproline II helixtrans-80.2167.3163.3-63.5-170.1-17598-0.5108.5N59 F71 R394R57-N59 PolarHBondContact O-N 2.83Å; R57-F71 PolarHBondContact NH1-O 3.39Å; R57-F71 VanDerWaalsContact NH1-O 3.11Å; R57-R394 PolarHBondContact NH2-O 2.83Å
58R89.3Confident88.3Confident26 Ų2643.8 Ų43.810%0.09821%0.211CC..PPolyproline II helixtrans-62.4127.2171.4-170.5179.4-170.8174.61.2109.8D28 Q31 F60 E327 V329 V346D28-R58 IonicContact OD2-CZ 3.61Å; D28-R58 IonicContact OD2-NH1 3.46Å; D28-R58 PolarHBondContact OD2-NH1 3.29Å; D28-R58 IonicContact OD2-NH2 3.34Å; Q31-R58 VanDerWaalsContact CG-NH2 3.34Å; R58-F60 HydrophobicContact CG-CE1 4.43Å; R58-F60 HydrophobicContact CG-CZ 4.31Å; R58-E327 VanDerWaalsContact CB-OE2 3.24Å; R58-E327 WeakPolarHBondContact CB-OE2 3.49Å; R58-V329 HydrophobicContact CB-CG2 4.33Å; R58-V346 HydrophobicContact CB-CG2 4.41Å; R58-V346 HydrophobicContact CG-CG2 4.13Å
59N83.1Confident88Confident33 Ų3337.9 Ų37.918%0.17619%0.186CC..  trans-105.6130.9175.4-163.9-17.3000109.6R57 H61 N63 E74R57-N59 PolarHBondContact O-N 2.83Å; N59-H61 WeakPolarHBondContact OD1-CA 3.46Å; N59-H61 PolarHBondContact OD1-N 2.83Å; N59-N63 PolarHBondContact OD1-ND2 2.82Å; N59-E74 VanDerWaalsContact CB-OE1 3.3Å; N59-E74 WeakPolarHBondContact CB-OE1 3.49Å; N59-E74 PolarHBondContact ND2-OE1 3.4Å
60F75.3Confident87.9Confident58 Ų5835.9 Ų35.925%0.25418%0.177SC..  trans-97-1.2175.9-62.5-75.7000112.9R58 L62 F172 F193R58-F60 HydrophobicContact CG-CE1 4.43Å; R58-F60 HydrophobicContact CG-CZ 4.31Å; F60-L62 PolarHBondContact O-N 3.4Å; F60-F172 HydrophobicContact CD1-CZ 4.36Å; F60-F172 HydrophobicContact CE1-CZ 4.31Å; F60-F193 HydrophobicContact CB-CE2 3.7Å; F60-F193 HydrophobicContact CB-CZ 4.47Å; F60-F193 HydrophobicContact CG-CE2 4.46Å
61H70.5Confident87.6Confident105 Ų10541 Ų4149%0.48620%0.199SC..SBendtrans60.4-13.4175.5-58.6-81.1000117.4N59 N63 E187N59-H61 WeakPolarHBondContact OD1-CA 3.46Å; N59-H61 PolarHBondContact OD1-N 2.83Å; H61-N63 PolarHBondContact O-N 3.06Å; H61-E187 WeakPolarHBondContact CB-OE1 3.38Å
62L72.3Confident87.5Confident1 Ų135.9 Ų35.91%0.00518%0.18CC..  trans-84.844.2171.6-62.9169.8000113F60 G64 L186 E187 F191 F193F60-L62 PolarHBondContact O-N 3.4Å; L62-G64 VanDerWaalsContact C-N 3.3Å; L62-L186 HydrophobicContact CD2-CB 3.84Å; L62-E187 HydrophobicContact CD2-CG 3.72Å; L62-F191 HydrophobicContact CD1-CD1 4.3Å; L62-F191 HydrophobicContact CD2-CD1 4.25Å; L62-F191 WeakPolarHBondContact CD2-O 3.24Å; L62-F193 HydrophobicContact CB-CD1 4.17Å; L62-F193 HydrophobicContact CB-CD2 3.81Å; L62-F193 HydrophobicContact CB-CE1 4.02Å; L62-F193 HydrophobicContact CB-CE2 3.65Å; L62-F193 HydrophobicContact CB-CG 4.06Å; L62-F193 HydrophobicContact CB-CZ 3.73Å; L62-F193 HydrophobicContact CD1-CD1 4.35Å; L62-F193 HydrophobicContact CD1-CE1 3.53Å; L62-F193 HydrophobicContact CD1-CE2 4.22Å; L62-F193 HydrophobicContact CD1-CZ 3.43Å; L62-F193 VanDerWaalsContact CD1-CZ 3.43Å; L62-F193 HydrophobicContact CG-CE1 4.42Å; L62-F193 HydrophobicContact CG-CE2 4.45Å; L62-F193 HydrophobicContact CG-CZ 4.13Å; L62-F193 PolarHBondContact O-N 2.99Å
63N77.2Confident87.4Confident10 Ų1032.9 Ų32.95%0.05316%0.159CC..  trans-82.9-8.5-176.7-58.6-42.9000113N59 H61 A65 L66N59-N63 PolarHBondContact OD1-ND2 2.82Å; H61-N63 PolarHBondContact O-N 3.06Å; N63-A65 PolarHBondContact O-N 2.97Å; N63-L66 PolarHBondContact O-N 3.31Å
64G81.3Confident87.3Confident34 Ų3432.9 Ų32.935%0.35116%0.16SC..G310 helixtrans54.7-131.9-175.200000111.4L62 L66 Y67L62-G64 VanDerWaalsContact C-N 3.3Å; G64-L66 PolarHBondContact O-N 3.29Å; G64-L66 VanDerWaalsContact O-N 3.15Å; G64-Y67 WeakPolarHBondContact O-CD1 3.28Å; G64-Y67 PolarHBondContact O-N 3.31Å
65A82.9Confident87.2Confident28 Ų2835.6 Ų35.623%0.23118%0.175CC..G310 helixtrans-63.3-15.9177.700000114.1N63 Y67 Y203 H246 S250N63-A65 PolarHBondContact O-N 2.97Å; A65-Y67 VanDerWaalsContact C-N 3.33Å; A65-Y67 PolarHBondContact O-N 2.97Å; A65-Y203 HydrophobicContact CB-CE1 3.86Å; A65-Y203 HydrophobicContact CB-CE2 4.34Å; A65-Y203 PolarHBondContact O-OH 3.12Å; A65-H246 PolarHBondContact O-CE1 3.32Å; A65-H246 PolarHBondContact O-NE2 3.36Å; A65-S250 PolarHBondContact O-OG 3.47Å
66L85.8Confident87Confident1 Ų140.9 Ų40.91%0.00520%0.203CC..G310 helixtrans-92.720.1-176.8-64178.2000114.2N63 G64 D68 S69 N72 M162 F194 Y203 M253N63-L66 PolarHBondContact O-N 3.31Å; G64-L66 PolarHBondContact O-N 3.29Å; G64-L66 VanDerWaalsContact O-N 3.15Å; L66-D68 PolarHBondContact O-N 2.88Å; L66-S69 WeakPolarHBondContact O-CB 3.47Å; L66-S69 PolarHBondContact O-N 3.24Å; L66-S69 PolarHBondContact O-OG 3.45Å; L66-N72 PolarHBondContact O-ND2 3.5Å; L66-M162 HydrophobicContact CD1-CE 4.17Å; L66-F194 HydrophobicContact CB-CE2 4.48Å; L66-F194 HydrophobicContact CD1-CD2 3.8Å; L66-F194 HydrophobicContact CD1-CE2 3.79Å; L66-F194 HydrophobicContact CD1-CG 4.34Å; L66-F194 HydrophobicContact CD1-CZ 4.32Å; L66-Y203 HydrophobicContact CD2-CE2 4.32Å; L66-M253 HydrophobicContact CD1-CE 4.14Å; L66-M253 HydrophobicContact CD1-CG 4.46Å; L66-M253 HydrophobicContact CD1-SD 4.03Å; L66-M253 HydrophobicContact CD2-CB 4.04Å; L66-M253 HydrophobicContact CD2-CG 4.19Å; L66-M253 HydrophobicContact CD2-SD 3.88Å; L66-M253 HydrophobicContact CG-SD 4.24Å
67Y86.9Confident86.8Confident128 Ų12843.6 Ų43.650%0.50222%0.215SC..THydrogen-bonded Turntrans-61.2-31.3-177.771-90.7000113.3G64 A65 H246G64-Y67 WeakPolarHBondContact O-CD1 3.28Å; G64-Y67 PolarHBondContact O-N 3.31Å; A65-Y67 VanDerWaalsContact C-N 3.33Å; A65-Y67 PolarHBondContact O-N 2.97Å; Y67-H246 AromaticContact CD1-CE1 3.99Å; Y67-H246 AromaticContact CE1-CE1 3.29Å; Y67-H246 WeakPolarHBondContact CE1-CE1 3.28Å; Y67-H246 AromaticContact CE1-ND1 3.98Å; Y67-H246 AromaticContact CE1-NE2 3.89Å; Y67-H246 AromaticContact CZ-CE1 3.85Å
68D90.4Very high86.9Confident2 Ų241.3 Ų41.31%0.01121%0.207CC..THydrogen-bonded Turntrans-102.310.2-179.961.1-6.5000113.4L66 I81 H246 E247 S250 Q251L66-D68 PolarHBondContact O-N 2.88Å; D68-I81 WeakPolarHBondContact O-CD1 3.48Å; D68-H246 IonicContact OD1-CE1 3.12Å; D68-H246 PolarHBondContact OD1-CE1 2.93Å; D68-H246 IonicContact OD1-ND1 2.93Å; D68-H246 PolarHBondContact OD1-ND1 3.39Å; D68-H246 IonicContact OD2-CE1 3.74Å; D68-H246 PolarHBondContact OD2-CE1 3.14Å; D68-H246 IonicContact OD2-CG 3.04Å; D68-H246 IonicContact OD2-ND1 2.68Å; D68-H246 PolarHBondContact OD2-ND1 3.04Å; D68-E247 HydrophobicContact CB-CG 4.08Å; D68-E247 WeakPolarHBondContact OD2-CG 3.47Å; D68-S250 WeakPolarHBondContact OD1-CB 3.49Å; D68-S250 PolarHBondContact OD1-OG 2.7Å; D68-Q251 PolarHBondContact O-NE2 3.43Å
69S92.1Very high87.1Confident0 Ų043.4 Ų43.40%022%0.216CC..SBendtrans-61.8147.4171.866.30000111.1L66 F71 N72 A73L66-S69 WeakPolarHBondContact O-CB 3.47Å; L66-S69 PolarHBondContact O-N 3.24Å; L66-S69 PolarHBondContact O-OG 3.45Å; S69-F71 PolarHBondContact O-N 2.84Å; S69-N72 CarbonylContact O-C 3.59Å; S69-N72 PolarHBondContact O-N 3.07Å; S69-N72 PolarHBondContact OG-ND2 2.69Å; S69-A73 WeakPolarHBondContact O-CB 3.23Å; S69-A73 PolarHBondContact O-N 3.02Å
70L93.3Very high87.6Confident12 Ų1244.8 Ų44.86%0.06322%0.219CC..THydrogen-bonded Turntrans-53.8-28-178.9177.869.8000112.8I81 R82 L85 F255 I397L70-I81 HydrophobicContact CB-CG2 4.13Å; L70-I81 HydrophobicContact CD1-CB 4.3Å; L70-I81 HydrophobicContact CD1-CG2 3.89Å; L70-R82 HydrophobicContact CD1-CB 3.8Å; L70-L85 HydrophobicContact CB-CD1 4.36Å; L70-L85 HydrophobicContact CD2-CD1 4.02Å; L70-F255 HydrophobicContact CD2-CE1 4.36Å; L70-I397 HydrophobicContact CD2-CB 4.48Å; L70-I397 HydrophobicContact CD2-CD1 4.06Å; L70-I397 HydrophobicContact CD2-CG2 4.14Å
71F90.3Very high88.4Confident108 Ų10842 Ų4247%0.47421%0.207SC..THydrogen-bonded Turntrans-67.5-46.1176.3-172.4-96.2000112R57 S69 I254 R394R57-F71 PolarHBondContact NH1-O 3.39Å; R57-F71 VanDerWaalsContact NH1-O 3.11Å; S69-F71 PolarHBondContact O-N 2.84Å; F71-I254 HydrophobicContact CB-CD1 4.28Å; F71-I254 HydrophobicContact CB-CG1 4.11Å; F71-R394 PolarHBondContact O-NH2 3.16Å
72N90.8Very high89.5Confident19 Ų1938.7 Ų38.710%0.10219%0.19CC..THydrogen-bonded Turntrans-93.2-28.2-173.7-68.7-35.1000114.6L66 S69L66-N72 PolarHBondContact O-ND2 3.5Å; S69-N72 CarbonylContact O-C 3.59Å; S69-N72 PolarHBondContact O-N 3.07Å; S69-N72 PolarHBondContact OG-ND2 2.69Å
73A93.3Very high90.4Very high1 Ų142.8 Ų42.81%0.00822%0.219CC..  trans-53147.3-176.900000111.4S69 Q77 W78 I81 R394S69-A73 WeakPolarHBondContact O-CB 3.23Å; S69-A73 PolarHBondContact O-N 3.02Å; A73-Q77 HydrophobicContact CB-CG 4.29Å; A73-W78 HydrophobicContact CB-CB 4.11Å; A73-W78 WeakPolarHBondContact O-CB 3.34Å; A73-I81 HydrophobicContact CB-CD1 3.99Å; A73-R394 PolarHBondContact O-NH2 3.13Å
74E93.9Very high90.9Very high63 Ų6343.7 Ų43.729%0.29423%0.225SC..  trans-117.8153.6-173.8-66.8-174.8-156.300111.3N56 N59 D76 Q77 W78N56-E74 HydrophobicContact CB-CG 4.21Å; N56-E74 PolarHBondContact ND2-OE2 3.07Å; N56-E74 WeakPolarHBondContact OD1-CA 3.3Å; N59-E74 VanDerWaalsContact CB-OE1 3.3Å; N59-E74 WeakPolarHBondContact CB-OE1 3.49Å; N59-E74 PolarHBondContact ND2-OE1 3.4Å; E74-D76 PolarHBondContact O-N 3.12Å; E74-Q77 WeakPolarHBondContact O-CB 3.4Å; E74-Q77 PolarHBondContact O-N 3.3Å; E74-Q77 VanDerWaalsContact O-N 3.1Å; E74-W78 PolarHBondContact O-N 3.2Å
75D94.6Very high91.3Very high58 Ų5842.1 Ų42.131%0.3121%0.208SC..Hα-helixtrans52.1-127.1168-56.8-33.1000114.6N56 Q77 W78 K79 K331N56-D75 PolarHBondContact ND2-OD1 2.68Å; N56-D75 PolarHBondContact OD1-N 2.59Å; N56-D75 PolarHBondContact OD1-OD1 3.48Å; D75-Q77 VanDerWaalsContact C-N 3.29Å; D75-Q77 PolarHBondContact O-N 2.96Å; D75-W78 PolarHBondContact O-N 3.39Å; D75-K79 WeakPolarHBondContact O-CG 3.26Å; D75-K79 PolarHBondContact O-N 2.73Å; D75-K331 WeakPolarHBondContact OD1-CE 3.23Å; D75-K331 IonicContact OD1-NZ 3.31Å; D75-K331 PolarHBondContact OD1-NZ 3.49Å
76D93.5Very high91.7Very high110 Ų11043 Ų4359%0.58821%0.213SC*.Hα-helixtrans-71.6-26-176.4-64.9-29.4000112E74 K79 R80E74-D76 PolarHBondContact O-N 3.12Å; D76-K79 PolarHBondContact O-N 3.36Å; D76-K79 IonicContact OD1-NZ 2.84Å; D76-K79 PolarHBondContact OD1-NZ 3.25Å; D76-R80 VanDerWaalsContact O-CB 3.23Å; D76-R80 WeakPolarHBondContact O-CB 3.37Å; D76-R80 PolarHBondContact O-N 3.43Å
77Q92.7Very high91.8Very high68 Ų6846.2 Ų46.232%0.31823%0.234SC..Hα-helixtrans-63.3-47.6170.6-171-176.316.900110.1A73 E74 D75 R80 I81 E247A73-Q77 HydrophobicContact CB-CG 4.29Å; E74-Q77 WeakPolarHBondContact O-CB 3.4Å; E74-Q77 PolarHBondContact O-N 3.3Å; E74-Q77 VanDerWaalsContact O-N 3.1Å; D75-Q77 VanDerWaalsContact C-N 3.29Å; D75-Q77 PolarHBondContact O-N 2.96Å; Q77-R80 PolarHBondContact O-N 3Å; Q77-I81 HydrophobicContact CG-CD1 3.83Å; Q77-I81 HydrophobicContact CG-CG1 4.48Å; Q77-I81 VanDerWaalsContact O-CG1 3.27Å; Q77-I81 WeakPolarHBondContact O-CG1 3.48Å; Q77-I81 PolarHBondContact O-N 3.26Å; Q77-E247 PolarHBondContact NE2-OE1 2.62Å
78W95.3Very high91.7Very high3 Ų340.2 Ų40.21%0.01121%0.21CC..Hα-helixtrans-60.6-46.6174.6167.376000112.2Y51 T55 A73 E74 D75 R80 I81 R82 P393 R394Y51-W78 HydrophobicContact CD1-CZ3 4.2Å; Y51-W78 HydrophobicContact CE1-CH2 4.06Å; Y51-W78 AromaticContact CE1-CZ3 3.77Å; Y51-W78 HydrophobicContact CE1-CZ3 3.77Å; T55-W78 HydrophobicContact CG2-CE3 3.67Å; T55-W78 HydrophobicContact CG2-CZ3 3.82Å; A73-W78 HydrophobicContact CB-CB 4.11Å; A73-W78 WeakPolarHBondContact O-CB 3.34Å; E74-W78 PolarHBondContact O-N 3.2Å; D75-W78 PolarHBondContact O-N 3.39Å; W78-R80 VanDerWaalsContact C-N 3.31Å; W78-R80 PolarHBondContact O-N 3.46Å; W78-I81 PolarHBondContact O-N 3.34Å; W78-R82 HydrophobicContact CZ2-CB 4.44Å; W78-R82 HydrophobicContact CZ2-CG 4.23Å; W78-R82 WeakPolarHBondContact O-CB 3.3Å; W78-R82 PolarHBondContact O-N 2.91Å; W78-P393 HydrophobicContact CH2-CB 3.9Å; W78-P393 WeakPolarHBondContact CZ2-O 3.4Å; W78-R394 HydrophobicContact CH2-CB 4Å; W78-R394 HydrophobicContact CH2-CG 4.39Å; W78-R394 HydrophobicContact CZ2-CB 3.52Å; W78-R394 HydrophobicContact CZ2-CG 3.58Å
79K93.6Very high91.6Very high69 Ų6941 Ų4130%0.321%0.214SC..Hα-helixtrans-58.6-44.3178.5-68.7176.7-162.2155.50111.3Y51 D75 D76 S83Y51-K79 HydrophobicContact CD1-CD 4.25Å; Y51-K79 HydrophobicContact CD1-CG 4.45Å; Y51-K79 HydrophobicContact CE1-CD 4.38Å; Y51-K79 HydrophobicContact CE1-CG 4.24Å; D75-K79 WeakPolarHBondContact O-CG 3.26Å; D75-K79 PolarHBondContact O-N 2.73Å; D76-K79 PolarHBondContact O-N 3.36Å; D76-K79 IonicContact OD1-NZ 2.84Å; D76-K79 PolarHBondContact OD1-NZ 3.25Å; K79-S83 VanDerWaalsContact O-CB 3.32Å; K79-S83 WeakPolarHBondContact O-CB 3.39Å; K79-S83 PolarHBondContact O-N 3.3Å
80R92.6Very high91.5Very high63 Ų6344 Ų4424%0.23823%0.232CC..Hα-helixtrans-59.8-57177.5178.5-176.272.3163.57.1111D76 Q77 W78 R82 S83 V84 D240 R242 E247D76-R80 VanDerWaalsContact O-CB 3.23Å; D76-R80 WeakPolarHBondContact O-CB 3.37Å; D76-R80 PolarHBondContact O-N 3.43Å; Q77-R80 PolarHBondContact O-N 3Å; W78-R80 VanDerWaalsContact C-N 3.31Å; W78-R80 PolarHBondContact O-N 3.46Å; R80-R82 VanDerWaalsContact C-N 3.32Å; R80-R82 PolarHBondContact O-N 3.28Å; R80-S83 PolarHBondContact O-N 2.87Å; R80-V84 WeakPolarHBondContact O-CG2 3.15Å; R80-V84 PolarHBondContact O-N 2.78Å; R80-V84 VanDerWaalsContact O-N 3.07Å; R80-D240 WeakPolarHBondContact CD-O 3.45Å; R80-D240 PolarHBondContact NH1-O 2.9Å; R80-R242 PolarHBondContact NH1-O 3.38Å; R80-E247 IonicContact CZ-OE1 2.87Å; R80-E247 IonicContact CZ-OE2 2.75Å; R80-E247 IonicContact NH2-OE1 3.78Å; R80-E247 PolarHBondContact NH2-OE1 3.46Å; R80-E247 IonicContact NH2-OE2 3.93Å; R80-E247 PolarHBondContact NH2-OE2 2.79Å
81I92.4Very high91.3Very high0 Ų046 Ų460%025%0.247CC..Hα-helixtrans-60.2-44.7-178.2-63.5170.4000109.9D68 L70 A73 Q77 W78 S83 V84 L85 L243 Q251D68-I81 WeakPolarHBondContact O-CD1 3.48Å; L70-I81 HydrophobicContact CB-CG2 4.13Å; L70-I81 HydrophobicContact CD1-CB 4.3Å; L70-I81 HydrophobicContact CD1-CG2 3.89Å; A73-I81 HydrophobicContact CB-CD1 3.99Å; Q77-I81 HydrophobicContact CG-CD1 3.83Å; Q77-I81 HydrophobicContact CG-CG1 4.48Å; Q77-I81 VanDerWaalsContact O-CG1 3.27Å; Q77-I81 WeakPolarHBondContact O-CG1 3.48Å; Q77-I81 PolarHBondContact O-N 3.26Å; W78-I81 PolarHBondContact O-N 3.34Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 3.13Å; I81-V84 PolarHBondContact O-N 2.82Å; I81-L85 HydrophobicContact CG2-CD1 3.54Å; I81-L85 HydrophobicContact CG2-CG 4.28Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.48Å; I81-L85 PolarHBondContact O-N 2.85Å; I81-L243 HydrophobicContact CB-CD2 4.47Å; I81-L243 HydrophobicContact CG1-CD2 3.93Å; I81-L243 HydrophobicContact CG2-CD2 4.42Å; I81-Q251 HydrophobicContact CG2-CG 4.18Å
82R93.9Very high91.2Very high34 Ų3443 Ų4313%0.12825%0.247CC..Hα-helixtrans-59.9-42.6178-176.558-177.6-126.2-3.9112L70 W78 R80 V84 L85 S86 N395L70-R82 HydrophobicContact CD1-CB 3.8Å; W78-R82 HydrophobicContact CZ2-CB 4.44Å; W78-R82 HydrophobicContact CZ2-CG 4.23Å; W78-R82 WeakPolarHBondContact O-CB 3.3Å; W78-R82 PolarHBondContact O-N 2.91Å; R80-R82 VanDerWaalsContact C-N 3.32Å; R80-R82 PolarHBondContact O-N 3.28Å; R82-V84 VanDerWaalsContact C-N 3.34Å; R82-L85 PolarHBondContact O-N 2.85Å; R82-S86 WeakPolarHBondContact O-CB 3.39Å; R82-S86 PolarHBondContact O-N 2.8Å; R82-S86 PolarHBondContact O-OG 3.17Å; R82-N395 PolarHBondContact NH1-O 2.93Å; R82-N395 PolarHBondContact NH2-O 2.97Å; R82-N395 PolarHBondContact NH2-OD1 3.34Å
83S90.7Very high91Very high87 Ų8745.4 Ų45.461%0.60825%0.254SS*.Hα-helixtrans-63.9-39.2178.7-173.50000112.1K79 R80 I81 P87K79-S83 VanDerWaalsContact O-CB 3.32Å; K79-S83 WeakPolarHBondContact O-CB 3.39Å; K79-S83 PolarHBondContact O-N 3.3Å; R80-S83 PolarHBondContact O-N 2.87Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 3.13Å; S83-P87 WeakPolarHBondContact O-CD 3.44Å
84V89Confident90.9Very high29 Ų2945.3 Ų45.318%0.17625%0.254CS..Hα-helixtrans-69-38.4179172.20000111.7R80 I81 R82 P87 S231 L243R80-V84 WeakPolarHBondContact O-CG2 3.15Å; R80-V84 PolarHBondContact O-N 2.78Å; R80-V84 VanDerWaalsContact O-N 3.07Å; I81-V84 PolarHBondContact O-N 2.82Å; R82-V84 VanDerWaalsContact C-N 3.34Å; V84-P87 WeakPolarHBondContact O-CD 3.24Å; V84-S231 VanDerWaalsContact CG1-OG 3.28Å; V84-S231 WeakPolarHBondContact CG1-OG 3.31Å; V84-L243 HydrophobicContact CG1-CD1 3.7Å; V84-L243 HydrophobicContact CG1-CG 4.02Å
85L90.1Very high90.7Very high2 Ų248.2 Ų48.21%0.0127%0.266CS..Hα-helixtrans-86.6-22.1-174.2-61.9171.5000114.3L70 I81 R82 P87 S88 M228 Q251 F255 I397L70-L85 HydrophobicContact CB-CD1 4.36Å; L70-L85 HydrophobicContact CD2-CD1 4.02Å; I81-L85 HydrophobicContact CG2-CD1 3.54Å; I81-L85 HydrophobicContact CG2-CG 4.28Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.48Å; I81-L85 PolarHBondContact O-N 2.85Å; R82-L85 PolarHBondContact O-N 2.85Å; L85-P87 VanDerWaalsContact C-CD 3.47Å; L85-S88 WeakPolarHBondContact O-CB 3.15Å; L85-S88 PolarHBondContact O-N 3.37Å; L85-S88 PolarHBondContact O-OG 3.39Å; L85-M228 HydrophobicContact CD2-CG 3.69Å; L85-M228 HydrophobicContact CD2-SD 3.88Å; L85-Q251 HydrophobicContact CD1-CG 4Å; L85-F255 HydrophobicContact CB-CZ 4.45Å; L85-F255 HydrophobicContact CD1-CE2 4.47Å; L85-F255 HydrophobicContact CD1-CZ 3.86Å; L85-F255 HydrophobicContact CD2-CE2 4.3Å; L85-F255 HydrophobicContact CD2-CZ 4.44Å; L85-F255 HydrophobicContact CG-CZ 4.48Å; L85-I397 HydrophobicContact CB-CD1 3.79Å
86S90.4Very high90.4Very high47 Ų4749.8 Ų49.833%0.32927%0.271SS..G310 helixtrans-59.3-39-175.7-65.50000114.5R82 S88 F89R82-S86 WeakPolarHBondContact O-CB 3.39Å; R82-S86 PolarHBondContact O-N 2.8Å; R82-S86 PolarHBondContact O-OG 3.17Å; S86-S88 PolarHBondContact O-N 3.09Å; S86-S88 VanDerWaalsContact O-N 3.14Å; S86-F89 PolarHBondContact O-N 3.21Å; S86-F89 VanDerWaalsContact O-N 3.16Å
87P87.9Confident90.3Very high68 Ų6844.8 Ų44.844%0.44224%0.244SC..G310 helixtrans-57.8-26.3176.9-27.136.5000114.5S83 V84 L85 F89 T90S83-P87 WeakPolarHBondContact O-CD 3.44Å; V84-P87 WeakPolarHBondContact O-CD 3.24Å; L85-P87 VanDerWaalsContact C-CD 3.47Å; P87-F89 PolarHBondContact O-N 3.16Å; P87-T90 VanDerWaalsContact O-CG2 3.29Å; P87-T90 WeakPolarHBondContact O-CG2 3.32Å; P87-T90 PolarHBondContact O-N 3.33Å; P87-T90 PolarHBondContact O-OG1 2.89Å
88S85.3Confident90.3Very high1 Ų141.7 Ų41.71%0.00723%0.23CC..G310 helixtrans-70.3-20.3-178.8-43.40000113.3L85 S86 F224 L227L85-S88 WeakPolarHBondContact O-CB 3.15Å; L85-S88 PolarHBondContact O-N 3.37Å; L85-S88 PolarHBondContact O-OG 3.39Å; S86-S88 PolarHBondContact O-N 3.09Å; S86-S88 VanDerWaalsContact O-N 3.14Å; S88-F224 WeakPolarHBondContact O-CE1 3.4Å; S88-L227 WeakPolarHBondContact OG-CD1 3.43Å
89F88.9Confident90.1Very high20 Ų2047.2 Ų47.29%0.08826%0.255CS..G310 helixtrans-105.821-178.4-64.7-85.5000113.4S86 P87 F224 F255 I397 F401S86-F89 PolarHBondContact O-N 3.21Å; S86-F89 VanDerWaalsContact O-N 3.16Å; P87-F89 PolarHBondContact O-N 3.16Å; F89-F224 AromaticContact CD1-CE1 3.75Å; F89-F224 HydrophobicContact CD1-CE1 3.75Å; F89-F224 AromaticContact CD1-CZ 3.58Å; F89-F224 HydrophobicContact CD1-CZ 3.58Å; F89-F224 AromaticContact CD2-CE1 3.68Å; F89-F224 HydrophobicContact CD2-CE1 3.68Å; F89-F224 HydrophobicContact CD2-CZ 4.37Å; F89-F224 AromaticContact CE1-CE1 3.43Å; F89-F224 HydrophobicContact CE1-CE1 3.43Å; F89-F224 VanDerWaalsContact CE1-CE1 3.43Å; F89-F224 HydrophobicContact CE1-CE2 4.22Å; F89-F224 AromaticContact CE1-CZ 3.24Å; F89-F224 HydrophobicContact CE1-CZ 3.24Å; F89-F224 HydrophobicContact CE2-CD1 4.03Å; F89-F224 AromaticContact CE2-CE1 3.35Å; F89-F224 HydrophobicContact CE2-CE1 3.35Å; F89-F224 HydrophobicContact CE2-CZ 4.09Å; F89-F224 AromaticContact CG-CE1 3.88Å; F89-F224 HydrophobicContact CG-CE1 3.88Å; F89-F224 HydrophobicContact CG-CZ 4.15Å; F89-F224 AromaticContact CZ-CD1 4Å; F89-F224 HydrophobicContact CZ-CD1 4Å; F89-F224 AromaticContact CZ-CE1 3.22Å; F89-F224 HydrophobicContact CZ-CE1 3.22Å; F89-F224 HydrophobicContact CZ-CE2 4.46Å; F89-F224 AromaticContact CZ-CZ 3.53Å; F89-F224 HydrophobicContact CZ-CZ 3.53Å; F89-F255 HydrophobicContact CE2-CE1 4.37Å; F89-F255 AromaticContact CE2-CE2 3.95Å; F89-F255 HydrophobicContact CE2-CE2 3.95Å; F89-F255 AromaticContact CE2-CZ 3.64Å; F89-F255 HydrophobicContact CE2-CZ 3.64Å; F89-F255 HydrophobicContact CZ-CD2 4.45Å; F89-F255 HydrophobicContact CZ-CE1 4.21Å; F89-F255 AromaticContact CZ-CE2 3.93Å; F89-F255 HydrophobicContact CZ-CE2 3.93Å; F89-F255 AromaticContact CZ-CZ 3.78Å; F89-F255 HydrophobicContact CZ-CZ 3.78Å; F89-I397 HydrophobicContact CD2-CB 4.43Å; F89-I397 HydrophobicContact CD2-CD1 3.77Å; F89-I397 HydrophobicContact CD2-CG1 3.58Å; F89-I397 HydrophobicContact CD2-CG2 4.27Å; F89-I397 HydrophobicContact CE2-CB 4.43Å; F89-I397 HydrophobicContact CE2-CD1 3.83Å; F89-I397 HydrophobicContact CE2-CG1 3.91Å; F89-I397 HydrophobicContact CE2-CG2 3.81Å; F89-I397 HydrophobicContact CG-CG1 4.25Å; F89-I397 WeakPolarHBondContact CG-O 3.3Å; F89-I397 HydrophobicContact CZ-CG2 4.02Å; F89-F401 HydrophobicContact CD1-CB 4.02Å; F89-F401 HydrophobicContact CE1-CB 4.23Å
90T90.2Very high89.9Confident63 Ų6345.2 Ų45.239%0.38725%0.248SC..SBendtrans-74.6153.817756.30000111.8P87 G92 R93 L94P87-T90 VanDerWaalsContact O-CG2 3.29Å; P87-T90 WeakPolarHBondContact O-CG2 3.32Å; P87-T90 PolarHBondContact O-N 3.33Å; P87-T90 PolarHBondContact O-OG1 2.89Å; T90-G92 PolarHBondContact O-N 2.88Å; T90-R93 PolarHBondContact O-N 3.46Å; T90-R93 WeakPolarHBondContact OG1-CG 3.33Å; T90-L94 WeakPolarHBondContact O-CG 3.31Å; T90-L94 PolarHBondContact O-N 3.43Å
91S88Confident90Very high54 Ų5442.2 Ų42.238%0.37824%0.237SC..Hα-helixtrans-59.4-33-177.3-51.70000113.3L94 K95 R400S91-L94 PolarHBondContact O-N 3.38Å; S91-K95 WeakPolarHBondContact O-CB 3.48Å; S91-K95 PolarHBondContact O-N 2.51Å; S91-R400 PolarHBondContact OG-NH1 2.86Å; S91-R400 VanDerWaalsContact OG-NH1 3.12Å
92G88.4Confident90.1Very high45 Ų4544.3 Ų44.346%0.46425%0.246SC..Hα-helixtrans-63.3-45174.500000112.4T90 K95 E96T90-G92 PolarHBondContact O-N 2.88Å; G92-K95 PolarHBondContact O-N 2.76Å; G92-E96 WeakPolarHBondContact O-CG 3.4Å; G92-E96 PolarHBondContact O-N 3.43Å
93R87.1Confident90Very high68 Ų6845.9 Ų45.926%0.25726%0.262SS..Hα-helixtrans-66.4-39.2176.5-65.6-58.9-176.8-165.8-0.8112.5T90 K95 E96 M97T90-R93 PolarHBondContact O-N 3.46Å; T90-R93 WeakPolarHBondContact OG1-CG 3.33Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.15Å; R93-E96 WeakPolarHBondContact CD-OE2 3.29Å; R93-E96 IonicContact CZ-OE2 3.91Å; R93-E96 IonicContact NE-OE2 3.5Å; R93-E96 IonicContact NH1-OE1 3.88Å; R93-E96 PolarHBondContact NH1-OE1 3.37Å; R93-E96 IonicContact NH1-OE2 3.07Å; R93-E96 PolarHBondContact NH1-OE2 2.89Å; R93-E96 WeakPolarHBondContact O-CB 3.32Å; R93-E96 PolarHBondContact O-N 2.74Å; R93-M97 VanDerWaalsContact O-CG 3.31Å; R93-M97 WeakPolarHBondContact O-CG 3.46Å; R93-M97 PolarHBondContact O-N 3.4Å
94L90.3Very high90.1Very high0 Ų041.9 Ų41.90%023%0.234CC..Hα-helixtrans-63.5-40.6175.5-63.8177.9000112T90 S91 E96 M97 F98 Y300 R400 F401T90-L94 WeakPolarHBondContact O-CG 3.31Å; T90-L94 PolarHBondContact O-N 3.43Å; S91-L94 PolarHBondContact O-N 3.38Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-M97 PolarHBondContact O-N 3.05Å; L94-F98 PolarHBondContact O-N 3.28Å; L94-Y300 HydrophobicContact CB-CE2 4.29Å; L94-R400 HydrophobicContact CD1-CB 3.41Å; L94-R400 VanDerWaalsContact CD1-CB 3.41Å; L94-F401 HydrophobicContact CD2-CB 3.82Å; L94-F401 HydrophobicContact CD2-CD2 3.75Å; L94-F401 HydrophobicContact CD2-CG 4.26Å
95K90.7Very high90.4Very high124 Ų12440.6 Ų40.654%0.53923%0.226SC..Hα-helixtrans-63-40.4173.7-174177.2-179.3177.60111.7S91 G92 R93 F98 Y300S91-K95 WeakPolarHBondContact O-CB 3.48Å; S91-K95 PolarHBondContact O-N 2.51Å; G92-K95 PolarHBondContact O-N 2.76Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.15Å; K95-F98 WeakPolarHBondContact O-CB 3.43Å; K95-F98 PolarHBondContact O-N 3.36Å; K95-Y300 HydrophobicContact CB-CD1 4.17Å; K95-Y300 HydrophobicContact CB-CD2 4.42Å; K95-Y300 HydrophobicContact CB-CE1 4.2Å; K95-Y300 HydrophobicContact CB-CE2 4.43Å; K95-Y300 HydrophobicContact CB-CG 4.29Å; K95-Y300 HydrophobicContact CD-CD1 4.31Å; K95-Y300 HydrophobicContact CG-CD1 4.06Å; K95-Y300 HydrophobicContact CG-CG 4.11Å
96E88.5Confident90.5Very high91 Ų9143.1 Ų43.143%0.42525%0.247SC..Hα-helixtrans-58.7-50.3172.4-72.4169.9-170.400110.1G92 R93 L94 F98 R221G92-E96 WeakPolarHBondContact O-CG 3.4Å; G92-E96 PolarHBondContact O-N 3.43Å; R93-E96 WeakPolarHBondContact CD-OE2 3.29Å; R93-E96 IonicContact CZ-OE2 3.91Å; R93-E96 IonicContact NE-OE2 3.5Å; R93-E96 IonicContact NH1-OE1 3.88Å; R93-E96 PolarHBondContact NH1-OE1 3.37Å; R93-E96 IonicContact NH1-OE2 3.07Å; R93-E96 PolarHBondContact NH1-OE2 2.89Å; R93-E96 WeakPolarHBondContact O-CB 3.32Å; R93-E96 PolarHBondContact O-N 2.74Å; L94-E96 VanDerWaalsContact C-N 3.33Å; E96-F98 PolarHBondContact O-N 2.78Å; E96-R221 PolarHBondContact O-NH2 2.93Å
97M90.3Very high90.6Very high5 Ų543.3 Ų43.33%0.02524%0.244CC..Hα-helixtrans-65.9-18.7-178.3-67.2169.7-179.500114.6R93 L94 E99 I100 M101 T139 F224 F401R93-M97 VanDerWaalsContact O-CG 3.31Å; R93-M97 WeakPolarHBondContact O-CG 3.46Å; R93-M97 PolarHBondContact O-N 3.4Å; L94-M97 PolarHBondContact O-N 3.05Å; M97-E99 VanDerWaalsContact C-N 3.32Å; M97-E99 PolarHBondContact O-N 2.85Å; M97-I100 WeakPolarHBondContact O-CB 3.12Å; M97-I100 PolarHBondContact O-N 2.89Å; M97-M101 HydrophobicContact CB-CE 3.98Å; M97-M101 PolarHBondContact O-N 3.41Å; M97-T139 HydrophobicContact CB-CG2 4.1Å; M97-T139 HydrophobicContact CG-CG2 4.43Å; M97-F224 HydrophobicContact CE-CD2 3.88Å; M97-F224 HydrophobicContact CE-CE2 3.6Å; M97-F224 HydrophobicContact CE-CG 4.48Å; M97-F224 HydrophobicContact CE-CZ 3.93Å; M97-F224 HydrophobicContact SD-CE2 3.86Å; M97-F224 HydrophobicContact SD-CZ 4.23Å; M97-F401 HydrophobicContact SD-CE2 4.37Å
98F92.5Very high90.9Very high3 Ų340.1 Ų40.11%0.01322%0.223CC..Hα-helixtrans-55.9-40.1-171.4-173.6-107.7000114.1L94 K95 E96 I100 M101 K102 V298 Y300 L303 V404 L408L94-F98 PolarHBondContact O-N 3.28Å; K95-F98 WeakPolarHBondContact O-CB 3.43Å; K95-F98 PolarHBondContact O-N 3.36Å; E96-F98 PolarHBondContact O-N 2.78Å; F98-I100 VanDerWaalsContact C-N 3.28Å; F98-I100 PolarHBondContact O-N 3.39Å; F98-M101 WeakPolarHBondContact O-CB 3.4Å; F98-M101 PolarHBondContact O-N 2.98Å; F98-M101 VanDerWaalsContact O-N 3.14Å; F98-K102 WeakPolarHBondContact O-CB 3.46Å; F98-K102 PolarHBondContact O-N 3.22Å; F98-V298 HydrophobicContact CZ-CG1 4.1Å; F98-Y300 HydrophobicContact CB-CD2 4.02Å; F98-Y300 AromaticContact CD2-CD2 3.68Å; F98-Y300 HydrophobicContact CD2-CD2 3.68Å; F98-Y300 HydrophobicContact CD2-CG 4.47Å; F98-Y300 VanDerWaalsContact CE1-N 3.34Å; F98-Y300 HydrophobicContact CE2-CD2 4.3Å; F98-Y300 AromaticContact CG-CD2 3.86Å; F98-Y300 HydrophobicContact CG-CD2 3.86Å; F98-Y300 HydrophobicContact CG-CG 4.4Å; F98-L303 HydrophobicContact CE2-CD2 3.66Å; F98-L303 HydrophobicContact CZ-CD2 4.02Å; F98-V404 HydrophobicContact CD2-CG1 3.88Å; F98-V404 HydrophobicContact CE2-CG1 4.23Å; F98-L408 HydrophobicContact CE2-CD1 4.09Å; F98-L408 HydrophobicContact CE2-CD2 4.06Å; F98-L408 HydrophobicContact CE2-CG 4.46Å; F98-L408 HydrophobicContact CZ-CD1 3.97Å
99E90.9Very high91.3Very high118 Ų11840.8 Ų40.855%0.55123%0.227SC*.Hα-helixtrans-63.9-31.9178.7-65.6-55.713500112.8M97 K102 S103M97-E99 VanDerWaalsContact C-N 3.32Å; M97-E99 PolarHBondContact O-N 2.85Å; E99-K102 PolarHBondContact O-N 3.09Å; E99-S103 PolarHBondContact O-N 2.94Å; E99-S103 VanDerWaalsContact O-N 3.12Å
100I91.2Very high91.5Very high28 Ų2844.9 Ų44.914%0.14425%0.246CC..Hα-helixtrans-69.4-45.9173.8-57.1167.4000109.5M97 F98 K102 S103 H104 T139M97-I100 WeakPolarHBondContact O-CB 3.12Å; M97-I100 PolarHBondContact O-N 2.89Å; F98-I100 VanDerWaalsContact C-N 3.28Å; F98-I100 PolarHBondContact O-N 3.39Å; I100-K102 PolarHBondContact O-N 3.45Å; I100-S103 WeakPolarHBondContact O-CB 3.14Å; I100-S103 PolarHBondContact O-N 3.37Å; I100-S103 VanDerWaalsContact O-N 3.09Å; I100-H104 PolarHBondContact O-CD2 3.01Å; I100-H104 VanDerWaalsContact O-CD2 3.24Å; I100-H104 PolarHBondContact O-N 3.2Å; I100-H104 VanDerWaalsContact O-N 3.11Å; I100-T139 HydrophobicContact CB-CG2 4.13Å; I100-T139 HydrophobicContact CD1-CG2 4.25Å; I100-T139 HydrophobicContact CG2-CG2 4.1Å
101M93.6Very high91.5Very high0 Ų042.3 Ų42.30%023%0.231CC..Hα-helixtrans-57.8-35.9178.8-58.7175.2173.800111.3M97 F98 H104 S105 V135 T139 F401 V404 V405 L408M97-M101 HydrophobicContact CB-CE 3.98Å; M97-M101 PolarHBondContact O-N 3.41Å; F98-M101 WeakPolarHBondContact O-CB 3.4Å; F98-M101 PolarHBondContact O-N 2.98Å; F98-M101 VanDerWaalsContact O-N 3.14Å; M101-H104 PolarHBondContact O-N 3.41Å; M101-S105 PolarHBondContact O-N 3.43Å; M101-V135 HydrophobicContact CG-CG1 4Å; M101-T139 HydrophobicContact CE-CG2 4.17Å; M101-T139 HydrophobicContact CG-CG2 4.06Å; M101-F401 HydrophobicContact CE-CD2 3.52Å; M101-F401 HydrophobicContact CE-CE2 3.22Å; M101-F401 HydrophobicContact CE-CG 4.41Å; M101-F401 HydrophobicContact CE-CZ 3.89Å; M101-V404 HydrophobicContact SD-CG1 3.69Å; M101-V405 HydrophobicContact CE-CG2 4.02Å; M101-V405 HydrophobicContact SD-CG2 4.03Å; M101-L408 VanDerWaalsContact C-CD2 3.48Å; M101-L408 HydrophobicContact CB-CD2 3.59Å
102K93.8Very high91.8Very high43 Ų4339.7 Ų39.719%0.18721%0.213CC..Hα-helixtrans-69.8-37.5176.6-170.1175.5179.2173.80113.4F98 E99 I100 H104 S105 A106 P297 V298 L408F98-K102 WeakPolarHBondContact O-CB 3.46Å; F98-K102 PolarHBondContact O-N 3.22Å; E99-K102 PolarHBondContact O-N 3.09Å; I100-K102 PolarHBondContact O-N 3.45Å; K102-H104 VanDerWaalsContact C-N 3.35Å; K102-S105 WeakPolarHBondContact CA-OG 3.26Å; K102-S105 PolarHBondContact O-N 3.22Å; K102-S105 PolarHBondContact O-OG 3.49Å; K102-A106 PolarHBondContact O-N 2.98Å; K102-P297 VanDerWaalsContact NZ-CB 3.31Å; K102-V298 WeakPolarHBondContact CE-O 3.4Å; K102-V298 PolarHBondContact NZ-O 3.4Å; K102-L408 HydrophobicContact CB-CD2 4.45Å
103S92.6Very high92Very high68 Ų6842.2 Ų42.248%0.47621%0.211SC..Hα-helixtrans-59.8-47.2171.6-170.60000111E99 I100 S105 A106 N107E99-S103 PolarHBondContact O-N 2.94Å; E99-S103 VanDerWaalsContact O-N 3.12Å; I100-S103 WeakPolarHBondContact O-CB 3.14Å; I100-S103 PolarHBondContact O-N 3.37Å; I100-S103 VanDerWaalsContact O-N 3.09Å; S103-S105 PolarHBondContact O-N 3.42Å; S103-A106 WeakPolarHBondContact O-CB 3.47Å; S103-A106 PolarHBondContact O-N 2.97Å; S103-N107 PolarHBondContact O-N 2.82Å; S103-N107 VanDerWaalsContact O-N 3.16Å
104H93.5Very high92.1Very high3 Ų343.7 Ų43.71%0.01422%0.219CC..Hα-helixtrans-70.1-30.1178.6-66.8-61.3000113.3I100 M101 K102 A106 N107 L108 Y131 V135 S138 D144I100-H104 PolarHBondContact O-CD2 3.01Å; I100-H104 VanDerWaalsContact O-CD2 3.24Å; I100-H104 PolarHBondContact O-N 3.2Å; I100-H104 VanDerWaalsContact O-N 3.11Å; M101-H104 PolarHBondContact O-N 3.41Å; K102-H104 VanDerWaalsContact C-N 3.35Å; H104-A106 VanDerWaalsContact C-N 3.34Å; H104-N107 PolarHBondContact O-N 2.97Å; H104-L108 PolarHBondContact O-N 3.39Å; H104-Y131 HydrophobicContact CB-CD2 4.17Å; H104-Y131 HydrophobicContact CB-CE2 4.05Å; H104-V135 HydrophobicContact CB-CG2 3.74Å; H104-S138 PolarHBondContact CE1-OG 2.96Å; H104-S138 VanDerWaalsContact CE1-OG 3.32Å; H104-S138 WeakPolarHBondContact NE2-CB 3.34Å; H104-S138 PolarHBondContact NE2-OG 2.99Å; H104-D144 IonicContact CE1-OD1 3.6Å
105S93.7Very high92.1Very high1 Ų146.6 Ų46.61%0.00723%0.232CC..Hα-helixtrans-67.8-37173.5680000111.1M101 K102 S103 N107 L108 I109M101-S105 PolarHBondContact O-N 3.43Å; K102-S105 WeakPolarHBondContact CA-OG 3.26Å; K102-S105 PolarHBondContact O-N 3.22Å; K102-S105 PolarHBondContact O-OG 3.49Å; S103-S105 PolarHBondContact O-N 3.42Å; S105-N107 VanDerWaalsContact C-N 3.34Å; S105-N107 PolarHBondContact O-N 2.67Å; S105-L108 WeakPolarHBondContact O-CB 3.36Å; S105-L108 PolarHBondContact O-N 2.84Å; S105-I109 WeakPolarHBondContact O-CG1 3.28Å; S105-I109 PolarHBondContact O-N 3.46Å
106A92.7Very high92.1Very high55 Ų5541.1 Ų41.146%0.45521%0.21SC..Hα-helixtrans-61.7-41.8172.700000112K102 S103 H104 I109 H110K102-A106 PolarHBondContact O-N 2.98Å; S103-A106 WeakPolarHBondContact O-CB 3.47Å; S103-A106 PolarHBondContact O-N 2.97Å; H104-A106 VanDerWaalsContact C-N 3.34Å; A106-I109 PolarHBondContact O-N 2.87Å; A106-H110 PolarHBondContact O-N 3.03Å
107N92.3Very high92.2Very high51 Ų5142 Ų4227%0.27322%0.217SC..Hα-helixtrans-62.8-41.8174.6-69.4-8.1000111.8S103 H104 S105 I109 H110 S111 L148S103-N107 PolarHBondContact O-N 2.82Å; S103-N107 VanDerWaalsContact O-N 3.16Å; H104-N107 PolarHBondContact O-N 2.97Å; S105-N107 VanDerWaalsContact C-N 3.34Å; S105-N107 PolarHBondContact O-N 2.67Å; N107-I109 PolarHBondContact O-N 3.47Å; N107-H110 PolarHBondContact O-N 2.98Å; N107-S111 PolarHBondContact O-N 3.36Å; N107-S111 PolarHBondContact O-OG 3.21Å; N107-L148 HydrophobicContact CB-CD1 3.9Å
108L94.2Very high92.2Very high1 Ų148.8 Ų48.81%0.00525%0.247CC..Hα-helixtrans-57-49.9174.5171.864.5000111H104 S105 H110 S111 M112 F127 F128 Y131 L148 A409 I413H104-L108 PolarHBondContact O-N 3.39Å; S105-L108 WeakPolarHBondContact O-CB 3.36Å; S105-L108 PolarHBondContact O-N 2.84Å; L108-H110 VanDerWaalsContact C-N 3.33Å; L108-H110 PolarHBondContact O-N 3.5Å; L108-S111 PolarHBondContact O-N 3.35Å; L108-M112 HydrophobicContact CD1-CG 3.98Å; L108-M112 HydrophobicContact CD1-SD 3.79Å; L108-M112 HydrophobicContact CG-CG 4.48Å; L108-M112 HydrophobicContact CG-SD 3.96Å; L108-M112 WeakPolarHBondContact O-CB 3.29Å; L108-M112 VanDerWaalsContact O-CG 3.32Å; L108-M112 WeakPolarHBondContact O-CG 3.46Å; L108-M112 PolarHBondContact O-N 2.91Å; L108-F127 HydrophobicContact CD1-CB 3.89Å; L108-F127 HydrophobicContact CD1-CD1 4.49Å; L108-F128 HydrophobicContact CD2-CD1 4.3Å; L108-F128 HydrophobicContact CD2-CE1 4.29Å; L108-Y131 HydrophobicContact CB-CD2 4.01Å; L108-Y131 HydrophobicContact CB-CG 4.4Å; L108-Y131 HydrophobicContact CD2-CD1 4.19Å; L108-Y131 HydrophobicContact CD2-CD2 4.01Å; L108-Y131 HydrophobicContact CD2-CG 3.83Å; L108-L148 HydrophobicContact CB-CD1 4.2Å; L108-L148 HydrophobicContact CD1-CD2 4.2Å; L108-A409 HydrophobicContact CD2-CB 4.3Å; L108-I413 HydrophobicContact CD2-CD1 4.21Å
109I94.3Very high91.9Very high16 Ų1650.5 Ų50.58%0.08227%0.266CS..Hα-helixtrans-60.2-43.2178-65.3-55.9000111.5S105 A106 N107 M112 K113 E412 I413 Y417S105-I109 WeakPolarHBondContact O-CG1 3.28Å; S105-I109 PolarHBondContact O-N 3.46Å; A106-I109 PolarHBondContact O-N 2.87Å; N107-I109 PolarHBondContact O-N 3.47Å; I109-M112 PolarHBondContact O-N 3.22Å; I109-K113 VanDerWaalsContact O-CB 3.29Å; I109-K113 WeakPolarHBondContact O-CB 3.28Å; I109-K113 PolarHBondContact O-N 3.37Å; I109-E412 HydrophobicContact CD1-CB 4.3Å; I109-E412 HydrophobicContact CG1-CB 4.21Å; I109-I413 HydrophobicContact CD1-CB 4.15Å; I109-I413 HydrophobicContact CD1-CG1 3.47Å; I109-I413 VanDerWaalsContact CD1-CG1 3.47Å; I109-Y417 HydrophobicContact CG2-CE2 4.24Å
110H92.5Very high92Very high105 Ų10549.1 Ų49.149%0.48626%0.259SS..Hα-helixtrans-61.9-44.6177.9-178.677.3000111.9A106 N107 L108 K113 K114A106-H110 PolarHBondContact O-N 3.03Å; N107-H110 PolarHBondContact O-N 2.98Å; L108-H110 VanDerWaalsContact C-N 3.33Å; L108-H110 PolarHBondContact O-N 3.5Å; H110-K113 PolarHBondContact O-N 2.99Å; H110-K114 WeakPolarHBondContact NE2-CE 3.23Å; H110-K114 PolarHBondContact NE2-NZ 2.98Å; H110-K114 PolarHBondContact O-N 2.84Å
111S91.2Very high92.1Very high9 Ų949 Ų496%0.06326%0.262CS..Hα-helixtrans-68.5-40.1178.2-700000112.7N107 L108 K114N107-S111 PolarHBondContact O-N 3.36Å; N107-S111 PolarHBondContact O-OG 3.21Å; L108-S111 PolarHBondContact O-N 3.35Å; S111-K114 PolarHBondContact O-N 2.83Å
112M92.8Very high92.1Very high0 Ų049.1 Ų49.10%026%0.263CS..Hα-helixtrans-65.4-38.8175-71-179.1104.700111.9L108 I109 K114 K115 A116 L122 L124 F127 I413 F419 L447L108-M112 HydrophobicContact CD1-CG 3.98Å; L108-M112 HydrophobicContact CD1-SD 3.79Å; L108-M112 HydrophobicContact CG-CG 4.48Å; L108-M112 HydrophobicContact CG-SD 3.96Å; L108-M112 WeakPolarHBondContact O-CB 3.29Å; L108-M112 VanDerWaalsContact O-CG 3.32Å; L108-M112 WeakPolarHBondContact O-CG 3.46Å; L108-M112 PolarHBondContact O-N 2.91Å; I109-M112 PolarHBondContact O-N 3.22Å; M112-K114 VanDerWaalsContact C-N 3.3Å; M112-K114 PolarHBondContact O-N 2.97Å; M112-K115 PolarHBondContact O-N 2.83Å; M112-K115 VanDerWaalsContact O-N 3.16Å; M112-A116 WeakPolarHBondContact O-CB 3.46Å; M112-A116 PolarHBondContact O-N 3.03Å; M112-L122 HydrophobicContact CB-CD2 3.87Å; M112-L122 HydrophobicContact CE-CD2 3.89Å; M112-L122 HydrophobicContact CG-CD2 3.83Å; M112-L124 HydrophobicContact CE-CD2 4.39Å; M112-F127 HydrophobicContact CG-CB 4.43Å; M112-F127 HydrophobicContact CG-CD1 3.69Å; M112-F127 HydrophobicContact CG-CE1 4.12Å; M112-F127 HydrophobicContact CG-CG 4.08Å; M112-I413 HydrophobicContact CE-CD1 4.23Å; M112-I413 HydrophobicContact SD-CD1 3.86Å; M112-I413 HydrophobicContact SD-CG1 4.11Å; M112-F419 HydrophobicContact CE-CE1 4.44Å; M112-L447 HydrophobicContact CB-CD1 3.77Å; M112-L447 HydrophobicContact CE-CD1 3.93Å; M112-L447 HydrophobicContact CE-CD2 4.45Å; M112-L447 HydrophobicContact CG-CD1 4.42Å; M112-L447 HydrophobicContact SD-CD1 4.24Å
113K92.8Very high92.1Very high97 Ų9749.5 Ų49.542%0.42227%0.265SS..Hα-helixtrans-55.7-42.6176.7-178.7173.8177.8-1790112.2I109 H110 K115 A116 D117 Y417I109-K113 VanDerWaalsContact O-CB 3.29Å; I109-K113 WeakPolarHBondContact O-CB 3.28Å; I109-K113 PolarHBondContact O-N 3.37Å; H110-K113 PolarHBondContact O-N 2.99Å; K113-K115 PolarHBondContact O-N 3.45Å; K113-A116 PolarHBondContact O-N 3.18Å; K113-A116 VanDerWaalsContact O-N 3.13Å; K113-D117 WeakPolarHBondContact CE-OD2 3.47Å; K113-D117 WeakPolarHBondContact CG-OD2 3.31Å; K113-D117 WeakPolarHBondContact O-CB 3.36Å; K113-D117 VanDerWaalsContact O-CG 3.31Å; K113-D117 PolarHBondContact O-N 2.85Å; K113-Y417 WeakPolarHBondContact CB-OH 3.23Å; K113-Y417 WeakPolarHBondContact CG-OH 3.32Å
114K90.6Very high92.2Very high99 Ų9946.3 Ų46.343%0.4324%0.243SC..Hα-helixtrans-56.1-34.6179.3-68.3173.7-175.9168.80113.4H110 S111 M112H110-K114 WeakPolarHBondContact NE2-CE 3.23Å; H110-K114 PolarHBondContact NE2-NZ 2.98Å; H110-K114 PolarHBondContact O-N 2.84Å; S111-K114 PolarHBondContact O-N 2.83Å; M112-K114 VanDerWaalsContact C-N 3.3Å; M112-K114 PolarHBondContact O-N 2.97Å
115K89.6Confident92Very high61 Ų6148.3 Ų48.327%0.26525%0.252SS..Hα-helixtrans-86.6-37.6175.2-69.7-157.9-176.3175.60112.1M112 K113 D117 K118 G119 E120 L122 F127M112-K115 PolarHBondContact O-N 2.83Å; M112-K115 VanDerWaalsContact O-N 3.16Å; K113-K115 PolarHBondContact O-N 3.45Å; K115-D117 PolarHBondContact O-N 3.45Å; K115-K118 PolarHBondContact O-N 3.09Å; K115-K118 VanDerWaalsContact O-N 3.16Å; K115-G119 PolarHBondContact O-N 3.1Å; K115-E120 HydrophobicContact CB-CB 4.43Å; K115-E120 PolarHBondContact O-N 2.96Å; K115-L122 HydrophobicContact CB-CD1 4.36Å; K115-L122 HydrophobicContact CB-CD2 4.39Å; K115-L122 HydrophobicContact CB-CG 4.07Å; K115-L122 HydrophobicContact CD-CG 4.43Å; K115-F127 HydrophobicContact CD-CE2 3.98Å; K115-F127 HydrophobicContact CD-CZ 3.63Å; K115-F127 HydrophobicContact CG-CZ 4.07Å
116A90.3Very high91.8Very high10 Ų1052 Ų528%0.08327%0.268CS..Hα-helixtrans-60.7-43.2177.900000112.4M112 K113 K118 G119 Y417 L447M112-A116 WeakPolarHBondContact O-CB 3.46Å; M112-A116 PolarHBondContact O-N 3.03Å; K113-A116 PolarHBondContact O-N 3.18Å; K113-A116 VanDerWaalsContact O-N 3.13Å; A116-K118 PolarHBondContact O-N 2.78Å; A116-K118 VanDerWaalsContact O-N 3.17Å; A116-G119 PolarHBondContact O-N 3.34Å; A116-Y417 HydrophobicContact CB-CE1 4.21Å; A116-L447 HydrophobicContact CB-CB 3.93Å; A116-L447 HydrophobicContact CB-CD1 4.37Å
117D90.3Very high91.8Very high109 Ų10950.2 Ų50.258%0.58325%0.251SS*.THydrogen-bonded Turntrans-62.4-23.5178.3-70.4-13.1000112.3K113 K115K113-D117 WeakPolarHBondContact CE-OD2 3.47Å; K113-D117 WeakPolarHBondContact CG-OD2 3.31Å; K113-D117 WeakPolarHBondContact O-CB 3.36Å; K113-D117 VanDerWaalsContact O-CG 3.31Å; K113-D117 PolarHBondContact O-N 2.85Å; K115-D117 PolarHBondContact O-N 3.45Å
118K90.6Very high92Very high147 Ų14747.9 Ų47.964%0.63924%0.238SC*.THydrogen-bonded Turntrans-90.6-4.8174.8-61.2179.7-176.9-179.30113.5K115 A116 E120K115-K118 PolarHBondContact O-N 3.09Å; K115-K118 VanDerWaalsContact O-N 3.16Å; A116-K118 PolarHBondContact O-N 2.78Å; A116-K118 VanDerWaalsContact O-N 3.17Å; K118-E120 HydrophobicContact CB-CG 3.89Å; K118-E120 VanDerWaalsContact CD-OE1 3.28Å; K118-E120 WeakPolarHBondContact CD-OE1 3.38Å; K118-E120 PolarHBondContact O-N 3.46Å
119G87.5Confident91.8Very high40 Ų4047.9 Ų47.941%0.41224%0.238SC..THydrogen-bonded Turntrans66.718-175.200000114.4K115 A116 K446K115-G119 PolarHBondContact O-N 3.1Å; A116-G119 PolarHBondContact O-N 3.34Å; G119-K446 VanDerWaalsContact O-CE 3.3Å; G119-K446 WeakPolarHBondContact O-CE 3.31Å; G119-K446 PolarHBondContact O-NZ 3.43Å
120E91.9Very high91.7Very high89 Ų8947.6 Ų47.642%0.41624%0.238SC..PPolyproline II helixtrans-75.6150.4-180-70.6174.4-168.200111.1K115 K118 L122K115-E120 HydrophobicContact CB-CB 4.43Å; K115-E120 PolarHBondContact O-N 2.96Å; K118-E120 HydrophobicContact CB-CG 3.89Å; K118-E120 VanDerWaalsContact CD-OE1 3.28Å; K118-E120 WeakPolarHBondContact CD-OE1 3.38Å; K118-E120 PolarHBondContact O-N 3.46Å; E120-L122 WeakPolarHBondContact O-CD1 3.43Å
121A93.6Very high91.8Very high26 Ų2642.6 Ų42.622%0.21522%0.215CC..PPolyproline II helixtrans-72.2139.4169.900000110Q444A121-Q444 HydrophobicContact CB-CB 4.37Å
122L93.9Very high91.9Very high1 Ų142.3 Ų42.31%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-101.3122.2177.6-67.186.9000109.1M112 K115 E120 L124 F127 Q444 L445 L447M112-L122 HydrophobicContact CB-CD2 3.87Å; M112-L122 HydrophobicContact CE-CD2 3.89Å; M112-L122 HydrophobicContact CG-CD2 3.83Å; K115-L122 HydrophobicContact CB-CD1 4.36Å; K115-L122 HydrophobicContact CB-CD2 4.39Å; K115-L122 HydrophobicContact CB-CG 4.07Å; K115-L122 HydrophobicContact CD-CG 4.43Å; E120-L122 WeakPolarHBondContact O-CD1 3.43Å; L122-L124 HydrophobicContact CB-CD2 4.48Å; L122-L124 PolarHBondContact O-N 3.17Å; L122-L124 VanDerWaalsContact O-N 3.17Å; L122-F127 HydrophobicContact CB-CD2 4.23Å; L122-F127 HydrophobicContact CB-CE2 3.93Å; L122-F127 HydrophobicContact CD2-CD2 4.15Å; L122-F127 HydrophobicContact CD2-CE2 3.8Å; L122-F127 HydrophobicContact CD2-CZ 3.99Å; L122-F127 HydrophobicContact CG-CE2 4.01Å; L122-F127 HydrophobicContact CG-CZ 4.44Å; L122-Q444 VanDerWaalsContact O-CA 3.31Å; L122-Q444 WeakPolarHBondContact O-CA 3.37Å; L122-L445 PolarHBondContact N-O 3.13Å; L122-L445 PolarHBondContact O-N 3.48Å; L122-L445 VanDerWaalsContact O-N 3.09Å; L122-L447 HydrophobicContact CD1-CG 4.13Å; L122-L447 HydrophobicContact CD2-CD1 4.04Å; L122-L447 HydrophobicContact CD2-CG 4.37Å
123E94.2Very high91.8Very high52 Ų5242.3 Ų42.324%0.24321%0.213CC..EExtended strand (participates in β ladder)trans-72.8101.5164.1-174.9176.7145.100109.2K125 E126 F127 P442 Q444E123-K125 VanDerWaalsContact C-N 3.26Å; E123-K125 PolarHBondContact O-N 3.03Å; E123-E126 HydrophobicContact CB-CG 4.16Å; E123-E126 HydrophobicContact CG-CG 3.99Å; E123-E126 PolarHBondContact O-N 3.07Å; E123-F127 WeakPolarHBondContact O-CD2 3.33Å; E123-P442 VanDerWaalsContact CD-CB 3.44Å; E123-P442 HydrophobicContact CG-CB 3.61Å; E123-P442 WeakPolarHBondContact OE1-CB 3.36Å; E123-Q444 HydrophobicContact CB-CG 4.49Å
124L92.9Very high91.7Very high1 Ų137.7 Ų37.71%0.00519%0.192CC..Hα-helixtrans-61.7-34.3-168-64.2-179000113.3M112 L122 E126 F127 F128 T268 A271 F419 I443 L445M112-L124 HydrophobicContact CE-CD2 4.39Å; L122-L124 HydrophobicContact CB-CD2 4.48Å; L122-L124 PolarHBondContact O-N 3.17Å; L122-L124 VanDerWaalsContact O-N 3.17Å; L124-E126 VanDerWaalsContact C-N 3.27Å; L124-E126 PolarHBondContact O-N 3.12Å; L124-F127 PolarHBondContact O-N 3.34Å; L124-F128 HydrophobicContact CB-CD2 3.9Å; L124-F128 HydrophobicContact CB-CE2 3.9Å; L124-F128 HydrophobicContact CD1-CE2 4.27Å; L124-F128 HydrophobicContact CD2-CE2 4.16Å; L124-F128 HydrophobicContact CG-CE2 4.34Å; L124-F128 WeakPolarHBondContact O-CB 3.45Å; L124-F128 VanDerWaalsContact O-CD2 3.31Å; L124-F128 WeakPolarHBondContact O-CD2 3.36Å; L124-F128 WeakPolarHBondContact O-CG 3.25Å; L124-F128 PolarHBondContact O-N 3.09Å; L124-T268 HydrophobicContact CB-CG2 4.05Å; L124-T268 HydrophobicContact CD1-CG2 4.37Å; L124-A271 HydrophobicContact CD1-CB 3.64Å; L124-F419 HydrophobicContact CD2-CE1 4.34Å; L124-I443 HydrophobicContact CD1-CG2 3.93Å; L124-I443 PolarHBondContact N-O 3.02Å; L124-I443 VanDerWaalsContact N-O 3.09Å; L124-L445 HydrophobicContact CD1-CB 4.36Å; L124-L445 HydrophobicContact CD1-CD1 3.41Å; L124-L445 VanDerWaalsContact CD1-CD1 3.41Å; L124-L445 HydrophobicContact CD1-CG 3.85Å; L124-L445 HydrophobicContact CD2-CB 4.37Å; L124-L445 HydrophobicContact CG-CB 4.47Å; L124-L445 HydrophobicContact CG-CD1 4.34Å; L124-L445 HydrophobicContact CG-CG 4.42Å
125K90.2Very high91.8Very high45 Ų4533 Ų3320%0.19617%0.172CC..Hα-helixtrans-64.3-31.5-178.6-176.262.6175.6-172.80112.2E123 G129 E261 S264 S265E123-K125 VanDerWaalsContact C-N 3.26Å; E123-K125 PolarHBondContact O-N 3.03Å; K125-G129 VanDerWaalsContact O-CA 3.29Å; K125-G129 WeakPolarHBondContact O-CA 3.35Å; K125-G129 PolarHBondContact O-N 3.2Å; K125-E261 WeakPolarHBondContact CE-OE2 3.46Å; K125-E261 PolarHBondContact NZ-O 3.46Å; K125-E261 IonicContact NZ-OE1 2.71Å; K125-E261 PolarHBondContact NZ-OE1 2.83Å; K125-E261 IonicContact NZ-OE2 3.6Å; K125-E261 PolarHBondContact NZ-OE2 3.32Å; K125-S264 PolarHBondContact NZ-OG 3.41Å; K125-S265 PolarHBondContact NZ-OG 2.92Å
126E90.3Very high91.9Very high77 Ų7730.5 Ų30.536%0.3616%0.162SC..Hα-helixtrans-66.5-49.8175.5-62.1-166.7134.300111.1E123 L124 S130E123-E126 HydrophobicContact CB-CG 4.16Å; E123-E126 HydrophobicContact CG-CG 3.99Å; E123-E126 PolarHBondContact O-N 3.07Å; L124-E126 VanDerWaalsContact C-N 3.27Å; L124-E126 PolarHBondContact O-N 3.12Å; E126-S130 PolarHBondContact O-N 3.38Å; E126-S130 PolarHBondContact O-OG 3.39Å
127F92.8Very high91.9Very high19 Ų1930 Ų308%0.08316%0.158CC..Hα-helixtrans-67.8-49.8-178.7-71.2-84.1000112.3L108 M112 K115 L122 E123 L124 G129 S130 Y131L108-F127 HydrophobicContact CD1-CB 3.89Å; L108-F127 HydrophobicContact CD1-CD1 4.49Å; M112-F127 HydrophobicContact CG-CB 4.43Å; M112-F127 HydrophobicContact CG-CD1 3.69Å; M112-F127 HydrophobicContact CG-CE1 4.12Å; M112-F127 HydrophobicContact CG-CG 4.08Å; K115-F127 HydrophobicContact CD-CE2 3.98Å; K115-F127 HydrophobicContact CD-CZ 3.63Å; K115-F127 HydrophobicContact CG-CZ 4.07Å; L122-F127 HydrophobicContact CB-CD2 4.23Å; L122-F127 HydrophobicContact CB-CE2 3.93Å; L122-F127 HydrophobicContact CD2-CD2 4.15Å; L122-F127 HydrophobicContact CD2-CE2 3.8Å; L122-F127 HydrophobicContact CD2-CZ 3.99Å; L122-F127 HydrophobicContact CG-CE2 4.01Å; L122-F127 HydrophobicContact CG-CZ 4.44Å; E123-F127 WeakPolarHBondContact O-CD2 3.33Å; L124-F127 PolarHBondContact O-N 3.34Å; F127-G129 VanDerWaalsContact C-N 3.3Å; F127-G129 PolarHBondContact O-N 3.15Å; F127-S130 PolarHBondContact O-N 3.36Å; F127-Y131 WeakPolarHBondContact O-CB 3.33Å; F127-Y131 PolarHBondContact O-N 3.35Å
128F94.8Very high91.8Very high2 Ų225.2 Ų25.21%0.00913%0.133CC..Hα-helixtrans-69.9-29.8179.1-65.1-42.5000112.3L108 L124 S132 S264 L267 A271 I413 F419L108-F128 HydrophobicContact CD2-CD1 4.3Å; L108-F128 HydrophobicContact CD2-CE1 4.29Å; L124-F128 HydrophobicContact CB-CD2 3.9Å; L124-F128 HydrophobicContact CB-CE2 3.9Å; L124-F128 HydrophobicContact CD1-CE2 4.27Å; L124-F128 HydrophobicContact CD2-CE2 4.16Å; L124-F128 HydrophobicContact CG-CE2 4.34Å; L124-F128 WeakPolarHBondContact O-CB 3.45Å; L124-F128 VanDerWaalsContact O-CD2 3.31Å; L124-F128 WeakPolarHBondContact O-CD2 3.36Å; L124-F128 WeakPolarHBondContact O-CG 3.25Å; L124-F128 PolarHBondContact O-N 3.09Å; F128-S132 VanDerWaalsContact O-CB 3.23Å; F128-S132 WeakPolarHBondContact O-CB 3.45Å; F128-S132 PolarHBondContact O-N 2.99Å; F128-S132 PolarHBondContact O-OG 3.1Å; F128-S264 VanDerWaalsContact C-CB 3.47Å; F128-S264 WeakPolarHBondContact O-CB 3.18Å; F128-L267 HydrophobicContact CB-CB 4.12Å; F128-L267 HydrophobicContact CB-CD1 4.26Å; F128-L267 HydrophobicContact CD1-CB 4.01Å; F128-L267 HydrophobicContact CD1-CD1 3.85Å; F128-L267 HydrophobicContact CD1-CG 4.43Å; F128-L267 HydrophobicContact CD2-CB 3.68Å; F128-L267 HydrophobicContact CE1-CB 4.3Å; F128-L267 HydrophobicContact CE1-CD1 4.41Å; F128-L267 HydrophobicContact CE2-CB 4Å; F128-L267 HydrophobicContact CG-CB 3.69Å; F128-L267 HydrophobicContact CG-CD1 4.13Å; F128-L267 HydrophobicContact CZ-CB 4.3Å; F128-A271 HydrophobicContact CE2-CB 4.03Å; F128-A271 HydrophobicContact CZ-CB 4.32Å; F128-I413 HydrophobicContact CE1-CD1 3.63Å; F128-I413 HydrophobicContact CZ-CD1 3.98Å; F128-F419 HydrophobicContact CZ-CZ 4.27Å
129G91.7Very high91.7Very high0 Ų018.3 Ų18.30%010%0.103CC..Hα-helixtrans-61.3-57.7171.800000111.1K125 F127 Y131 S132 M133 Y260K125-G129 VanDerWaalsContact O-CA 3.29Å; K125-G129 WeakPolarHBondContact O-CA 3.35Å; K125-G129 PolarHBondContact O-N 3.2Å; F127-G129 VanDerWaalsContact C-N 3.3Å; F127-G129 PolarHBondContact O-N 3.15Å; G129-Y131 PolarHBondContact O-N 3.48Å; G129-S132 PolarHBondContact O-N 3.48Å; G129-M133 PolarHBondContact O-N 3.11Å; G129-Y260 WeakPolarHBondContact O-CD2 3.48Å; G129-Y260 WeakPolarHBondContact O-CE2 3.41Å
130S91.3Very high91.5Very high11 Ų1116.4 Ų16.48%0.0778%0.084CC..Hα-helixtrans-59.8-44178.3-68.50000112.1E126 F127 S132 M133 D134 S147E126-S130 PolarHBondContact O-N 3.38Å; E126-S130 PolarHBondContact O-OG 3.39Å; F127-S130 PolarHBondContact O-N 3.36Å; S130-S132 PolarHBondContact O-N 3.48Å; S130-M133 WeakPolarHBondContact O-CB 3.3Å; S130-M133 PolarHBondContact O-N 2.98Å; S130-D134 PolarHBondContact O-N 3.47Å; S130-S147 VanDerWaalsContact CA-OG 3.31Å; S130-S147 WeakPolarHBondContact CA-OG 3.48Å; S130-S147 WeakPolarHBondContact CB-O 3.41Å; S130-S147 WeakPolarHBondContact CB-OG 3.34Å; S130-S147 PolarHBondContact O-OG 2.92Å; S130-S147 PolarHBondContact OG-O 3.28Å
131Y93.8Very high91Very high0 Ų012.4 Ų12.40%07%0.065CC..Hα-helixtrans-57-46.5173.9169.6-107.5000112.7H104 L108 F127 G129 M133 D134 V135 L267 V405 A409H104-Y131 HydrophobicContact CB-CD2 4.17Å; H104-Y131 HydrophobicContact CB-CE2 4.05Å; L108-Y131 HydrophobicContact CB-CD2 4.01Å; L108-Y131 HydrophobicContact CB-CG 4.4Å; L108-Y131 HydrophobicContact CD2-CD1 4.19Å; L108-Y131 HydrophobicContact CD2-CD2 4.01Å; L108-Y131 HydrophobicContact CD2-CG 3.83Å; F127-Y131 WeakPolarHBondContact O-CB 3.33Å; F127-Y131 PolarHBondContact O-N 3.35Å; G129-Y131 PolarHBondContact O-N 3.48Å; Y131-M133 VanDerWaalsContact C-N 3.31Å; Y131-M133 PolarHBondContact O-N 3.32Å; Y131-D134 PolarHBondContact O-N 3.38Å; Y131-V135 HydrophobicContact CD2-CG2 3.93Å; Y131-V135 HydrophobicContact CE1-CG2 4.28Å; Y131-V135 HydrophobicContact CE2-CG2 3.47Å; Y131-V135 VanDerWaalsContact CE2-CG2 3.47Å; Y131-V135 HydrophobicContact CG-CG2 4.5Å; Y131-V135 WeakPolarHBondContact O-CB 3.21Å; Y131-V135 VanDerWaalsContact O-CG2 3.25Å; Y131-V135 WeakPolarHBondContact O-CG2 3.27Å; Y131-V135 PolarHBondContact O-N 3.04Å; Y131-L267 HydrophobicContact CD1-CD1 4.17Å; Y131-L267 HydrophobicContact CE1-CD1 4.27Å; Y131-V405 HydrophobicContact CD1-CG1 4.47Å; Y131-V405 HydrophobicContact CE1-CG1 3.55Å; Y131-V405 PolarHBondContact OH-O 3Å; Y131-A409 HydrophobicContact CD1-CB 4.33Å; Y131-A409 HydrophobicContact CE1-CB 3.65Å
132S93.1Very high90.4Very high3 Ų314 Ų142%0.0217%0.074CC..Hα-helixtrans-66.9-34.7180-57.30000111.8F128 G129 S130 V136 S264F128-S132 VanDerWaalsContact O-CB 3.23Å; F128-S132 WeakPolarHBondContact O-CB 3.45Å; F128-S132 PolarHBondContact O-N 2.99Å; F128-S132 PolarHBondContact O-OG 3.1Å; G129-S132 PolarHBondContact O-N 3.48Å; S130-S132 PolarHBondContact O-N 3.48Å; S132-V136 WeakPolarHBondContact O-CG1 3.31Å; S132-V136 PolarHBondContact O-N 3.12Å; S132-V136 VanDerWaalsContact O-N 3.07Å; S132-S264 PolarHBondContact OG-N 3.04Å
133M91.1Very high89.8Confident0 Ų015.8 Ų15.80%09%0.085CC..Hα-helixtrans-62-56.7173-174.658.570.800110.7G129 S130 Y131 V135 V136 T137 F155 V156 I159 I256 Y260G129-M133 PolarHBondContact O-N 3.11Å; S130-M133 WeakPolarHBondContact O-CB 3.3Å; S130-M133 PolarHBondContact O-N 2.98Å; Y131-M133 VanDerWaalsContact C-N 3.31Å; Y131-M133 PolarHBondContact O-N 3.32Å; M133-V135 VanDerWaalsContact C-N 3.28Å; M133-V135 PolarHBondContact O-N 3.48Å; M133-V136 VanDerWaalsContact O-CG1 3.24Å; M133-V136 WeakPolarHBondContact O-CG1 3.25Å; M133-V136 PolarHBondContact O-N 2.98Å; M133-V136 VanDerWaalsContact O-N 3.14Å; M133-V136 HydrophobicContact SD-CG1 4.42Å; M133-T137 HydrophobicContact CG-CG2 4.31Å; M133-T137 WeakPolarHBondContact O-CG2 3.43Å; M133-T137 PolarHBondContact O-N 2.68Å; M133-T137 PolarHBondContact O-OG1 2.75Å; M133-T137 VanDerWaalsContact O-OG1 3.07Å; M133-T137 HydrophobicContact SD-CG2 3.71Å; M133-F155 HydrophobicContact SD-CB 4.36Å; M133-V156 HydrophobicContact CB-CG2 4.38Å; M133-V156 HydrophobicContact CG-CG2 4.15Å; M133-I159 HydrophobicContact CE-CB 3.95Å; M133-I159 HydrophobicContact CE-CD1 3.54Å; M133-I159 HydrophobicContact CE-CG1 4.35Å; M133-I159 HydrophobicContact CE-CG2 3.51Å; M133-I256 HydrophobicContact CE-CG2 3.9Å; M133-I256 HydrophobicContact SD-CG2 3.55Å; M133-I256 VanDerWaalsContact SD-CG2 3.55Å; M133-Y260 HydrophobicContact CB-CD2 3.79Å; M133-Y260 HydrophobicContact CB-CE2 4.19Å; M133-Y260 HydrophobicContact CE-CD2 3.51Å; M133-Y260 HydrophobicContact CE-CE2 4.04Å; M133-Y260 HydrophobicContact CE-CG 3.86Å
134D91.8Very high89.1Confident0 Ų018.2 Ų18.20%010%0.1CC..Hα-helixtrans-60.9-41-175.7-66.7-15.7000111S130 Y131 T137 S138 S147 L148S130-D134 PolarHBondContact O-N 3.47Å; Y131-D134 PolarHBondContact O-N 3.38Å; D134-T137 PolarHBondContact O-N 3.04Å; D134-T137 PolarHBondContact O-OG1 3.01Å; D134-S138 WeakPolarHBondContact O-CB 3.02Å; D134-S138 PolarHBondContact O-N 3.18Å; D134-S138 PolarHBondContact O-OG 3.08Å; D134-S147 WeakPolarHBondContact OD1-CB 3.31Å; D134-S147 PolarHBondContact OD1-N 2.94Å; D134-S147 PolarHBondContact OD1-OG 3.43Å; D134-S147 PolarHBondContact OD2-N 3.48Å; D134-S147 PolarHBondContact OD2-OG 2.95Å; D134-L148 PolarHBondContact OD2-N 2.93Å
135V92.7Very high88.3Confident1 Ų119.3 Ų19.31%0.00611%0.106CC..Hα-helixtrans-62.2-48.41761700000111.4M101 H104 Y131 M133 T139 F401 V405M101-V135 HydrophobicContact CG-CG1 4Å; H104-V135 HydrophobicContact CB-CG2 3.74Å; Y131-V135 HydrophobicContact CD2-CG2 3.93Å; Y131-V135 HydrophobicContact CE1-CG2 4.28Å; Y131-V135 HydrophobicContact CE2-CG2 3.47Å; Y131-V135 VanDerWaalsContact CE2-CG2 3.47Å; Y131-V135 HydrophobicContact CG-CG2 4.5Å; Y131-V135 WeakPolarHBondContact O-CB 3.21Å; Y131-V135 VanDerWaalsContact O-CG2 3.25Å; Y131-V135 WeakPolarHBondContact O-CG2 3.27Å; Y131-V135 PolarHBondContact O-N 3.04Å; M133-V135 VanDerWaalsContact C-N 3.28Å; M133-V135 PolarHBondContact O-N 3.48Å; V135-T139 HydrophobicContact CG1-CG2 4.37Å; V135-T139 VanDerWaalsContact O-CB 3.28Å; V135-T139 WeakPolarHBondContact O-CB 3.47Å; V135-T139 VanDerWaalsContact O-CG2 3.25Å; V135-T139 WeakPolarHBondContact O-CG2 3.17Å; V135-T139 PolarHBondContact O-N 2.86Å; V135-T139 PolarHBondContact O-OG1 3.35Å; V135-F401 HydrophobicContact CG1-CE1 4.42Å; V135-F401 HydrophobicContact CG1-CZ 3.87Å; V135-V405 HydrophobicContact CG1-CG1 4.37Å; V135-V405 HydrophobicContact CG1-CG2 3.69Å
136V91.1Very high87.9Confident7 Ų719.9 Ų19.94%0.04211%0.111CC..Hα-helixtrans-67.5-40.6-179.171.70000111.2S132 M133 A140 I256S132-V136 WeakPolarHBondContact O-CG1 3.31Å; S132-V136 PolarHBondContact O-N 3.12Å; S132-V136 VanDerWaalsContact O-N 3.07Å; M133-V136 VanDerWaalsContact O-CG1 3.24Å; M133-V136 WeakPolarHBondContact O-CG1 3.25Å; M133-V136 PolarHBondContact O-N 2.98Å; M133-V136 VanDerWaalsContact O-N 3.14Å; M133-V136 HydrophobicContact SD-CG1 4.42Å; V136-A140 WeakPolarHBondContact O-CB 3.22Å; V136-A140 PolarHBondContact O-N 3.22Å; V136-I256 HydrophobicContact CG1-CG2 4.32Å
137T90Very high87.4Confident1 Ų116.2 Ų16.21%0.0069%0.093CC..Hα-helixtrans-72.4-38.4-176.658.80000112.7M133 D134 F141 S142 V143 I145 I256M133-T137 HydrophobicContact CG-CG2 4.31Å; M133-T137 WeakPolarHBondContact O-CG2 3.43Å; M133-T137 PolarHBondContact O-N 2.68Å; M133-T137 PolarHBondContact O-OG1 2.75Å; M133-T137 VanDerWaalsContact O-OG1 3.07Å; M133-T137 HydrophobicContact SD-CG2 3.71Å; D134-T137 PolarHBondContact O-N 3.04Å; D134-T137 PolarHBondContact O-OG1 3.01Å; T137-F141 CarbonylContact O-C 3.47Å; T137-F141 WeakPolarHBondContact O-CA 3.4Å; T137-F141 WeakPolarHBondContact O-CB 3.2Å; T137-F141 PolarHBondContact O-N 2.7Å; T137-S142 PolarHBondContact O-N 2.99Å; T137-V143 CarbonylContact C-O 3.16Å; T137-V143 VanDerWaalsContact C-O 3.26Å; T137-V143 PolarHBondContact O-N 3.47Å; T137-V143 PolarHBondContact OG1-O 2.99Å; T137-I145 HydrophobicContact CG2-CD1 3.57Å; T137-I256 HydrophobicContact CG2-CG2 4.5Å
138S89.2Confident86.6Confident8 Ų816.1 Ų16.16%0.0569%0.094CC..Hα-helixtrans-73-41.1176.2-63.50000112.4H104 D134 S142 V143H104-S138 PolarHBondContact CE1-OG 2.96Å; H104-S138 VanDerWaalsContact CE1-OG 3.32Å; H104-S138 WeakPolarHBondContact NE2-CB 3.34Å; H104-S138 PolarHBondContact NE2-OG 2.99Å; D134-S138 WeakPolarHBondContact O-CB 3.02Å; D134-S138 PolarHBondContact O-N 3.18Å; D134-S138 PolarHBondContact O-OG 3.08Å; S138-S142 WeakPolarHBondContact O-CA 3.39Å; S138-S142 PolarHBondContact O-N 3.39Å; S138-S142 VanDerWaalsContact O-N 3.12Å; S138-V143 PolarHBondContact N-O 3.25Å; S138-V143 PolarHBondContact OG-O 3.41Å
139T87.4Confident85.7Confident1 Ų119.7 Ų19.71%0.00611%0.113CC..Hα-helixtrans-78-27.4-179.5600000113.4M97 I100 M101 V135 D223 F401M97-T139 HydrophobicContact CB-CG2 4.1Å; M97-T139 HydrophobicContact CG-CG2 4.43Å; I100-T139 HydrophobicContact CB-CG2 4.13Å; I100-T139 HydrophobicContact CD1-CG2 4.25Å; I100-T139 HydrophobicContact CG2-CG2 4.1Å; M101-T139 HydrophobicContact CE-CG2 4.17Å; M101-T139 HydrophobicContact CG-CG2 4.06Å; V135-T139 HydrophobicContact CG1-CG2 4.37Å; V135-T139 VanDerWaalsContact O-CB 3.28Å; V135-T139 WeakPolarHBondContact O-CB 3.47Å; V135-T139 VanDerWaalsContact O-CG2 3.25Å; V135-T139 WeakPolarHBondContact O-CG2 3.17Å; V135-T139 PolarHBondContact O-N 2.86Å; V135-T139 PolarHBondContact O-OG1 3.35Å; T139-D223 WeakPolarHBondContact O-CB 3.49Å; T139-F401 HydrophobicContact CG2-CE2 4.47Å; T139-F401 WeakPolarHBondContact OG1-CE2 3.1Å; T139-F401 WeakPolarHBondContact OG1-CZ 3.5Å
140A83.8Confident85Confident1 Ų123.2 Ų23.21%0.00813%0.132CC..Hα-helixtrans-95.8-35.8-179.400000115V136 F224 L225V136-A140 WeakPolarHBondContact O-CB 3.22Å; V136-A140 PolarHBondContact O-N 3.22Å; A140-F224 HydrophobicContact CB-CB 3.82Å; A140-F224 HydrophobicContact CB-CD2 3.49Å; A140-F224 VanDerWaalsContact CB-CD2 3.49Å; A140-F224 HydrophobicContact CB-CE2 4.49Å; A140-F224 HydrophobicContact CB-CG 4.03Å; A140-L225 WeakPolarHBondContact O-CB 3.44Å; A140-L225 PolarHBondContact O-N 2.87Å
141F81.4Confident83.9Confident4 Ų426.8 Ų26.82%0.01816%0.155CC..Hα-helixtrans-124.25.8-173.1-48-68.7000112.5T137 V143 L206 R213 L225 M228 S252 I256T137-F141 CarbonylContact O-C 3.47Å; T137-F141 WeakPolarHBondContact O-CA 3.4Å; T137-F141 WeakPolarHBondContact O-CB 3.2Å; T137-F141 PolarHBondContact O-N 2.7Å; F141-V143 HydrophobicContact CB-CG2 4.08Å; F141-V143 VanDerWaalsContact O-CG2 3.31Å; F141-V143 WeakPolarHBondContact O-CG2 3.42Å; F141-V143 PolarHBondContact O-N 2.88Å; F141-L206 HydrophobicContact CD1-CD2 3.94Å; F141-L206 HydrophobicContact CE1-CD2 4Å; F141-L206 HydrophobicContact CG-CD2 4.26Å; F141-L206 HydrophobicContact CZ-CD2 4.35Å; F141-R213 PolarHBondContact O-NH2 2.59Å; F141-L225 HydrophobicContact CD1-CB 3.9Å; F141-L225 HydrophobicContact CD1-CD2 4.14Å; F141-L225 HydrophobicContact CD1-CG 4.49Å; F141-L225 HydrophobicContact CE1-CB 4.41Å; F141-M228 HydrophobicContact CE1-CE 4.37Å; F141-S252 VanDerWaalsContact CE1-OG 3.3Å; F141-S252 WeakPolarHBondContact CE1-OG 3.4Å; F141-I256 HydrophobicContact CD2-CD1 4.25Å; F141-I256 HydrophobicContact CD2-CG1 4.24Å; F141-I256 HydrophobicContact CE2-CD1 3.71Å; F141-I256 HydrophobicContact CE2-CG1 3.4Å; F141-I256 HydrophobicContact CZ-CD1 4.33Å; F141-I256 HydrophobicContact CZ-CG1 4.09Å
142S81.6Confident82.8Confident59 Ų5931.3 Ų31.341%0.41319%0.187SC..  trans46.335.3-174.9-63.50000112.2T137 S138 D223T137-S142 PolarHBondContact O-N 2.99Å; S138-S142 WeakPolarHBondContact O-CA 3.39Å; S138-S142 PolarHBondContact O-N 3.39Å; S138-S142 VanDerWaalsContact O-N 3.12Å; S142-D223 WeakPolarHBondContact CB-OD2 3.18Å; S142-D223 PolarHBondContact OG-OD2 3.25Å
143V81.4Confident82.1Confident40 Ų4032.1 Ų32.124%0.24219%0.19CC..  trans-112.1114.8176.5179.70000108.2T137 S138 F141 I145 I209T137-V143 CarbonylContact C-O 3.16Å; T137-V143 VanDerWaalsContact C-O 3.26Å; T137-V143 PolarHBondContact O-N 3.47Å; T137-V143 PolarHBondContact OG1-O 2.99Å; S138-V143 PolarHBondContact N-O 3.25Å; S138-V143 PolarHBondContact OG-O 3.41Å; F141-V143 HydrophobicContact CB-CG2 4.08Å; F141-V143 VanDerWaalsContact O-CG2 3.31Å; F141-V143 WeakPolarHBondContact O-CG2 3.42Å; F141-V143 PolarHBondContact O-N 2.88Å; V143-I145 HydrophobicContact CG1-CG1 3.97Å; V143-I209 HydrophobicContact CG2-CD1 3.6Å; V143-I209 HydrophobicContact CG2-CG1 3.87Å; V143-I209 HydrophobicContact CG2-CG2 4.16Å
144D79.3Confident81.7Confident103 Ų10335 Ų3555%0.55121%0.209SC*.  trans-87.5117.1170.1-162.6-5000109.1H104 D146H104-D144 IonicContact CE1-OD1 3.6Å; D144-D146 PolarHBondContact OD1-N 3.3Å
145I76.5Confident81.2Confident24 Ų2436.2 Ų36.212%0.12322%0.215CC..  trans-97-24.1-178.3-61.2-179.5000110.4T137 V143 S147 D153 F155T137-I145 HydrophobicContact CG2-CD1 3.57Å; V143-I145 HydrophobicContact CG1-CG1 3.97Å; I145-S147 VanDerWaalsContact C-N 3.29Å; I145-S147 PolarHBondContact O-N 3.47Å; I145-D153 HydrophobicContact CG2-CB 4.14Å; I145-D153 WeakPolarHBondContact CG2-OD1 3.35Å; I145-D153 WeakPolarHBondContact CG2-OD2 3.45Å; I145-F155 HydrophobicContact CD1-CB 3.9Å; I145-F155 HydrophobicContact CD1-CD1 3.66Å; I145-F155 HydrophobicContact CD1-CD2 3.76Å; I145-F155 HydrophobicContact CD1-CE1 4.12Å; I145-F155 HydrophobicContact CD1-CE2 4.19Å; I145-F155 HydrophobicContact CD1-CG 3.5Å; I145-F155 VanDerWaalsContact CD1-CG 3.5Å; I145-F155 HydrophobicContact CD1-CZ 4.37Å
146D81.9Confident80.6Confident56 Ų5636.2 Ų36.230%0.29922%0.215SC..  trans49.447.1-170.5-165.921.2000113.3D144 L148 N149 N150D144-D146 PolarHBondContact OD1-N 3.3Å; D146-L148 PolarHBondContact O-N 3.26Å; D146-L148 VanDerWaalsContact O-N 3.16Å; D146-N149 VanDerWaalsContact CG-ND2 3.25Å; D146-N149 PolarHBondContact O-N 2.95Å; D146-N149 VanDerWaalsContact O-N 3.13Å; D146-N149 PolarHBondContact OD1-ND2 3.48Å; D146-N149 WeakPolarHBondContact OD2-CB 3.4Å; D146-N149 PolarHBondContact OD2-ND2 3.33Å; D146-N150 PolarHBondContact O-N 3.37Å; D146-N150 VanDerWaalsContact O-N 3.11Å
147S79.8Confident80.3Confident0 Ų038.6 Ų38.60%023%0.229CC..THydrogen-bonded Turntrans-68.3-13.3-176.670.50000113.8S130 D134 I145 N150S130-S147 VanDerWaalsContact CA-OG 3.31Å; S130-S147 WeakPolarHBondContact CA-OG 3.48Å; S130-S147 WeakPolarHBondContact CB-O 3.41Å; S130-S147 WeakPolarHBondContact CB-OG 3.34Å; S130-S147 PolarHBondContact O-OG 2.92Å; S130-S147 PolarHBondContact OG-O 3.28Å; D134-S147 WeakPolarHBondContact OD1-CB 3.31Å; D134-S147 PolarHBondContact OD1-N 2.94Å; D134-S147 PolarHBondContact OD1-OG 3.43Å; D134-S147 PolarHBondContact OD2-N 3.48Å; D134-S147 PolarHBondContact OD2-OG 2.95Å; I145-S147 VanDerWaalsContact C-N 3.29Å; I145-S147 PolarHBondContact O-N 3.47Å; S147-N150 CarbonylContact O-C 3.53Å
148L75.6Confident80.1Confident17 Ų1739.4 Ų39.49%0.08923%0.234CC..THydrogen-bonded Turntrans-71.3-33.6171.9-79.6165.8000113N107 L108 D134 D146N107-L148 HydrophobicContact CB-CD1 3.9Å; L108-L148 HydrophobicContact CB-CD1 4.2Å; L108-L148 HydrophobicContact CD1-CD2 4.2Å; D134-L148 PolarHBondContact OD2-N 2.93Å; D146-L148 PolarHBondContact O-N 3.26Å; D146-L148 VanDerWaalsContact O-N 3.16Å
149N76.1Confident79.8Confident78 Ų7839.1 Ų39.142%0.41723%0.231SC..THydrogen-bonded Turntrans-94.5-17.6175.5-66.5-52.5000112.5D146 P151D146-N149 VanDerWaalsContact CG-ND2 3.25Å; D146-N149 PolarHBondContact O-N 2.95Å; D146-N149 VanDerWaalsContact O-N 3.13Å; D146-N149 PolarHBondContact OD1-ND2 3.48Å; D146-N149 WeakPolarHBondContact OD2-CB 3.4Å; D146-N149 PolarHBondContact OD2-ND2 3.33Å; N149-P151 WeakPolarHBondContact O-CD 3.29Å
150N76.9Confident79.6Confident73 Ų7343 Ų4339%0.3925%0.248SC..  trans-120.482.7175.6-171.59.6000112.3D146 S147 S152 D153D146-N150 PolarHBondContact O-N 3.37Å; D146-N150 VanDerWaalsContact O-N 3.11Å; S147-N150 CarbonylContact O-C 3.53Å; N150-S152 PolarHBondContact O-N 3.21Å; N150-S152 VanDerWaalsContact O-N 3.12Å; N150-D153 HydrophobicContact CB-CB 4.48Å; N150-D153 VanDerWaalsContact O-CB 3.27Å; N150-D153 WeakPolarHBondContact O-CB 3.47Å; N150-D153 PolarHBondContact O-N 3.38Å
151P67.6Low79.5Confident87 Ų8747.8 Ų47.857%0.56527%0.269SS*.THydrogen-bonded Turntrans-62.6-21.5-179.2-20.831.8000114.1N149 D153N149-P151 WeakPolarHBondContact O-CD 3.29Å; P151-D153 VanDerWaalsContact C-N 3.27Å
152S70.7Confident79.4Confident95 Ų9547.9 Ų47.966%0.66427%0.269SS*.THydrogen-bonded Turntrans-89.911.7178.2-58.20000112.6N150N150-S152 PolarHBondContact O-N 3.21Å; N150-S152 VanDerWaalsContact O-N 3.12Å
153D78.3Confident79Confident19 Ų1947.5 Ų47.510%0.10226%0.262CS..  trans-55.3136.1-179.7-174.9-90.3000111.2I145 N150 P151 F155 V156 T157I145-D153 HydrophobicContact CG2-CB 4.14Å; I145-D153 WeakPolarHBondContact CG2-OD1 3.35Å; I145-D153 WeakPolarHBondContact CG2-OD2 3.45Å; N150-D153 HydrophobicContact CB-CB 4.48Å; N150-D153 VanDerWaalsContact O-CB 3.27Å; N150-D153 WeakPolarHBondContact O-CB 3.47Å; N150-D153 PolarHBondContact O-N 3.38Å; P151-D153 VanDerWaalsContact C-N 3.27Å; D153-F155 PolarHBondContact O-N 3.3Å; D153-F155 WeakPolarHBondContact OD1-CA 3.25Å; D153-F155 VanDerWaalsContact OD1-CB 3.22Å; D153-F155 WeakPolarHBondContact OD1-CB 2.96Å; D153-F155 PolarHBondContact OD1-N 3.12Å; D153-V156 PolarHBondContact O-N 3.35Å; D153-T157 WeakPolarHBondContact O-CB 3.2Å; D153-T157 PolarHBondContact O-N 3.05Å; D153-T157 PolarHBondContact O-OG1 3.44Å
154P82.4Confident78.4Confident61 Ų6154.1 Ų54.140%0.39629%0.288SS..Hα-helixtrans-56.1-33.3179.6-28.937.3000114.3N158 F201P154-N158 WeakPolarHBondContact O-CB 3.48Å; P154-N158 PolarHBondContact O-N 3.06Å; P154-N158 PolarHBondContact O-ND2 3.38Å; P154-F201 HydrophobicContact CB-CE1 4.36Å; P154-F201 HydrophobicContact CB-CE2 3.75Å; P154-F201 HydrophobicContact CB-CZ 3.54Å
155F80.7Confident77.6Confident26 Ų2652 Ų5211%0.11427%0.274CS..Hα-helixtrans-66.2-48.1177.4-78.4-108.6000111.3M133 I145 D153 N158 I159 F201 F202M133-F155 HydrophobicContact SD-CB 4.36Å; I145-F155 HydrophobicContact CD1-CB 3.9Å; I145-F155 HydrophobicContact CD1-CD1 3.66Å; I145-F155 HydrophobicContact CD1-CD2 3.76Å; I145-F155 HydrophobicContact CD1-CE1 4.12Å; I145-F155 HydrophobicContact CD1-CE2 4.19Å; I145-F155 HydrophobicContact CD1-CG 3.5Å; I145-F155 VanDerWaalsContact CD1-CG 3.5Å; I145-F155 HydrophobicContact CD1-CZ 4.37Å; D153-F155 PolarHBondContact O-N 3.3Å; D153-F155 WeakPolarHBondContact OD1-CA 3.25Å; D153-F155 VanDerWaalsContact OD1-CB 3.22Å; D153-F155 WeakPolarHBondContact OD1-CB 2.96Å; D153-F155 PolarHBondContact OD1-N 3.12Å; F155-N158 PolarHBondContact O-N 3.01Å; F155-I159 WeakPolarHBondContact O-CB 3.46Å; F155-I159 PolarHBondContact O-N 2.62Å; F155-F201 HydrophobicContact CD1-CE1 4.41Å; F155-F201 AromaticContact CD2-CE1 3.89Å; F155-F201 HydrophobicContact CD2-CE1 3.89Å; F155-F201 AromaticContact CD2-CZ 3.75Å; F155-F201 HydrophobicContact CD2-CZ 3.75Å; F155-F201 HydrophobicContact CE1-CE1 4.48Å; F155-F201 AromaticContact CE2-CE1 3.98Å; F155-F201 HydrophobicContact CE2-CE1 3.98Å; F155-F201 AromaticContact CE2-CZ 3.71Å; F155-F201 HydrophobicContact CE2-CZ 3.71Å; F155-F201 HydrophobicContact CG-CE1 4.09Å; F155-F201 HydrophobicContact CG-CZ 4.4Å; F155-F201 HydrophobicContact CZ-CE1 4.27Å; F155-F201 HydrophobicContact CZ-CZ 4.34Å; F155-F202 HydrophobicContact CD1-CD1 4.2Å; F155-F202 AromaticContact CD1-CE1 3.51Å; F155-F202 HydrophobicContact CD1-CE1 3.51Å; F155-F202 HydrophobicContact CD1-CZ 4.34Å; F155-F202 HydrophobicContact CE1-CD1 4.11Å; F155-F202 AromaticContact CE1-CE1 3.89Å; F155-F202 HydrophobicContact CE1-CE1 3.89Å; F155-F202 HydrophobicContact CG-CE1 4.38Å
156V80.4Confident76.8Confident1 Ų153.1 Ų53.11%0.00628%0.28CS..Hα-helixtrans-64.8-42.8178.1176.70000110.7M133 D153 N158 I159 K160M133-V156 HydrophobicContact CB-CG2 4.38Å; M133-V156 HydrophobicContact CG-CG2 4.15Å; D153-V156 PolarHBondContact O-N 3.35Å; V156-N158 PolarHBondContact O-N 3.45Å; V156-I159 WeakPolarHBondContact O-CG2 3.44Å; V156-I159 PolarHBondContact O-N 2.85Å; V156-K160 HydrophobicContact CG1-CD 4.1Å; V156-K160 HydrophobicContact CG1-CG 4.44Å; V156-K160 WeakPolarHBondContact O-CB 3.48Å; V156-K160 VanDerWaalsContact O-CG 3.29Å; V156-K160 WeakPolarHBondContact O-CG 3.3Å; V156-K160 PolarHBondContact O-N 3.34Å
157T85.2Confident75.6Confident56 Ų5653.1 Ų53.134%0.34428%0.28SS..Hα-helixtrans-64.2-43.9179.8-58.50000111.8D153 K161D153-T157 WeakPolarHBondContact O-CB 3.2Å; D153-T157 PolarHBondContact O-N 3.05Å; D153-T157 PolarHBondContact O-OG1 3.44Å; T157-K161 WeakPolarHBondContact O-CG 3.33Å; T157-K161 PolarHBondContact O-N 3.29Å
158N85.4Confident74.5Confident19 Ų1954.7 Ų54.710%0.10229%0.288CS..Hα-helixtrans-71.3-36.1179.7-77.8-53000112.4P154 F155 V156 K161 M162 V198 F201 F202P154-N158 WeakPolarHBondContact O-CB 3.48Å; P154-N158 PolarHBondContact O-N 3.06Å; P154-N158 PolarHBondContact O-ND2 3.38Å; F155-N158 PolarHBondContact O-N 3.01Å; V156-N158 PolarHBondContact O-N 3.45Å; N158-K161 WeakPolarHBondContact O-CB 3.15Å; N158-K161 PolarHBondContact O-N 2.91Å; N158-M162 PolarHBondContact O-N 3.5Å; N158-M162 VanDerWaalsContact O-N 3.16Å; N158-V198 HydrophobicContact CB-CG1 4.22Å; N158-V198 HydrophobicContact CB-CG2 4.25Å; N158-F201 HydrophobicContact CB-CD1 4.19Å; N158-F201 WeakPolarHBondContact ND2-CD1 3.41Å; N158-F201 WeakPolarHBondContact ND2-CG 3.31Å; N158-F202 HydrophobicContact CB-CE2 3.93Å; N158-F202 HydrophobicContact CB-CZ 4.46Å
159I83.6Confident74Confident1 Ų156.7 Ų56.71%0.00530%0.299CS..Hα-helixtrans-70.8-36.7177.1-144.4155.6000112.3M133 F155 V156 K161 M162 L163 F202 I256 F257 Y260M133-I159 HydrophobicContact CE-CB 3.95Å; M133-I159 HydrophobicContact CE-CD1 3.54Å; M133-I159 HydrophobicContact CE-CG1 4.35Å; M133-I159 HydrophobicContact CE-CG2 3.51Å; F155-I159 WeakPolarHBondContact O-CB 3.46Å; F155-I159 PolarHBondContact O-N 2.62Å; V156-I159 WeakPolarHBondContact O-CG2 3.44Å; V156-I159 PolarHBondContact O-N 2.85Å; I159-K161 PolarHBondContact O-N 2.73Å; I159-M162 VanDerWaalsContact O-CB 3.26Å; I159-M162 WeakPolarHBondContact O-CB 2.78Å; I159-M162 PolarHBondContact O-N 3.21Å; I159-L163 WeakPolarHBondContact O-CG 3.32Å; I159-L163 PolarHBondContact O-N 3.4Å; I159-F202 HydrophobicContact CB-CZ 4.3Å; I159-F202 HydrophobicContact CD1-CZ 4.36Å; I159-I256 HydrophobicContact CD1-CB 4.3Å; I159-I256 HydrophobicContact CD1-CG2 3.45Å; I159-I256 VanDerWaalsContact CD1-CG2 3.45Å; I159-F257 HydrophobicContact CD1-CB 4.45Å; I159-F257 HydrophobicContact CG1-CD2 4.36Å; I159-Y260 HydrophobicContact CD1-CD1 4.36Å; I159-Y260 HydrophobicContact CD1-CG 4.22Å; I159-Y260 HydrophobicContact CG1-CD1 4.32Å; I159-Y260 HydrophobicContact CG2-CD1 3.49Å; I159-Y260 VanDerWaalsContact CG2-CD1 3.49Å; I159-Y260 HydrophobicContact CG2-CD2 4.15Å; I159-Y260 HydrophobicContact CG2-CE1 3.42Å; I159-Y260 VanDerWaalsContact CG2-CE1 3.42Å; I159-Y260 HydrophobicContact CG2-CE2 4.05Å; I159-Y260 HydrophobicContact CG2-CG 3.87Å
160K82.8Confident73.3Confident84 Ų8457.7 Ų57.737%0.36531%0.309SS..Hα-helixtrans-59.9-33.8171.9-75.4-179.5-178.7-177.80112V156 L163 Y260V156-K160 HydrophobicContact CG1-CD 4.1Å; V156-K160 HydrophobicContact CG1-CG 4.44Å; V156-K160 WeakPolarHBondContact O-CB 3.48Å; V156-K160 VanDerWaalsContact O-CG 3.29Å; V156-K160 WeakPolarHBondContact O-CG 3.3Å; V156-K160 PolarHBondContact O-N 3.34Å; K160-L163 PolarHBondContact O-N 3.12Å; K160-Y260 WeakPolarHBondContact CE-OH 3.2Å
161K82.5Confident72.5Confident101 Ų10160.9 Ų60.944%0.43933%0.326SS..Hα-helixtrans-69-36173.4-69.6172.6-175.5174.10112.4T157 N158 I159 L163 K164 V198T157-K161 WeakPolarHBondContact O-CG 3.33Å; T157-K161 PolarHBondContact O-N 3.29Å; N158-K161 WeakPolarHBondContact O-CB 3.15Å; N158-K161 PolarHBondContact O-N 2.91Å; I159-K161 PolarHBondContact O-N 2.73Å; K161-L163 PolarHBondContact O-N 2.95Å; K161-K164 PolarHBondContact O-N 3.19Å; K161-V198 HydrophobicContact CB-CG2 3.97Å; K161-V198 HydrophobicContact CD-CG2 4.36Å
162M77.9Confident72.3Confident6 Ų657.5 Ų57.53%0.0330%0.302CS..Hα-helixtrans-62.5-28.6175.9-164.8178.716100112.4L66 N158 I159 F194 V198 M253 F257L66-M162 HydrophobicContact CD1-CE 4.17Å; N158-M162 PolarHBondContact O-N 3.5Å; N158-M162 VanDerWaalsContact O-N 3.16Å; I159-M162 VanDerWaalsContact O-CB 3.26Å; I159-M162 WeakPolarHBondContact O-CB 2.78Å; I159-M162 PolarHBondContact O-N 3.21Å; M162-F194 HydrophobicContact CE-CD1 3.73Å; M162-F194 HydrophobicContact CE-CE1 3.35Å; M162-F194 HydrophobicContact CE-CZ 3.89Å; M162-F194 HydrophobicContact CG-CD1 3.55Å; M162-F194 HydrophobicContact CG-CE1 3.84Å; M162-F194 HydrophobicContact SD-CD1 4.31Å; M162-F194 HydrophobicContact SD-CE1 4.41Å; M162-V198 HydrophobicContact CB-CG1 4.4Å; M162-M253 HydrophobicContact CE-CE 4.38Å; M162-M253 HydrophobicContact SD-CE 3.79Å; M162-F257 HydrophobicContact CB-CD2 4.45Å; M162-F257 HydrophobicContact CE-CB 3.86Å; M162-F257 HydrophobicContact CE-CD1 4.21Å; M162-F257 HydrophobicContact CE-CD2 3.44Å; M162-F257 VanDerWaalsContact CE-CD2 3.44Å; M162-F257 HydrophobicContact CE-CE2 3.97Å; M162-F257 HydrophobicContact CE-CG 3.56Å; M162-F257 HydrophobicContact CG-CD2 3.98Å; M162-F257 HydrophobicContact CG-CE2 4.08Å; M162-F257 HydrophobicContact SD-CB 4.09Å; M162-F257 HydrophobicContact SD-CD2 3.41Å; M162-F257 WeakPolarHBondContact SD-CD2 3.26Å; M162-F257 HydrophobicContact SD-CE2 4.1Å; M162-F257 HydrophobicContact SD-CG 3.99Å
163L73.7Confident72Confident50 Ų5054.4 Ų54.426%0.26228%0.278SS..Hα-helixtrans-81.2-17.2-177.9-70.3164.9000114.9I159 K160 K161 F165 F257 Y260 E261I159-L163 WeakPolarHBondContact O-CG 3.32Å; I159-L163 PolarHBondContact O-N 3.4Å; K160-L163 PolarHBondContact O-N 3.12Å; K161-L163 PolarHBondContact O-N 2.95Å; L163-F165 PolarHBondContact O-N 2.86Å; L163-F257 HydrophobicContact CD2-CD2 4.34Å; L163-F257 HydrophobicContact CD2-CE2 3.36Å; L163-F257 HydrophobicContact CD2-CZ 3.73Å; L163-F257 HydrophobicContact CG-CE2 3.97Å; L163-Y260 HydrophobicContact CD1-CD1 4.14Å; L163-Y260 HydrophobicContact CD1-CE1 3.81Å; L163-E261 HydrophobicContact CD1-CB 4.32Å; L163-E261 HydrophobicContact CD1-CG 4.27Å; L163-E261 WeakPolarHBondContact CD1-OE2 3.24Å; L163-E261 HydrophobicContact CD2-CB 3.74Å; L163-E261 HydrophobicContact CD2-CG 3.36Å; L163-E261 HydrophobicContact CG-CG 4.46Å
164K69.2Low71.1Confident179 Ų17955.1 Ų55.178%0.77829%0.287SS*.  trans-77.142.9178-64.8-172.2178.1-1720112K161 D166K161-K164 PolarHBondContact O-N 3.19Å; K164-D166 PolarHBondContact O-N 2.76Å
165F62.6Low70.3Confident58 Ų5853.8 Ų53.825%0.25427%0.274SS..  trans-86.6102.3179.4-166.5-108.7000110.1L163 L167 F193L163-F165 PolarHBondContact O-N 2.86Å; F165-L167 HydrophobicContact CD1-CD2 4Å; F165-L167 HydrophobicContact CD1-CG 3.88Å; F165-L167 HydrophobicContact CE1-CD2 3.52Å; F165-L167 HydrophobicContact CE1-CG 3.91Å; F165-L167 PolarHBondContact O-N 2.98Å; F165-F193 HydrophobicContact CD2-CB 4.03Å; F165-F193 HydrophobicContact CD2-CG 4.45Å; F165-F193 HydrophobicContact CE2-CB 3.28Å; F165-F193 AromaticContact CE2-CD1 3.4Å; F165-F193 HydrophobicContact CE2-CD1 3.4Å; F165-F193 HydrophobicContact CE2-CD2 4.08Å; F165-F193 HydrophobicContact CE2-CE1 4.25Å; F165-F193 AromaticContact CE2-CG 3.31Å; F165-F193 HydrophobicContact CE2-CG 3.31Å; F165-F193 HydrophobicContact CZ-CB 3.77Å; F165-F193 AromaticContact CZ-CD1 3.48Å; F165-F193 HydrophobicContact CZ-CD1 3.48Å; F165-F193 VanDerWaalsContact CZ-CD1 3.48Å; F165-F193 AromaticContact CZ-CD2 3.65Å; F165-F193 HydrophobicContact CZ-CD2 3.65Å; F165-F193 AromaticContact CZ-CE1 3.95Å; F165-F193 HydrophobicContact CZ-CE1 3.95Å; F165-F193 HydrophobicContact CZ-CE2 4.07Å; F165-F193 AromaticContact CZ-CG 3.34Å; F165-F193 HydrophobicContact CZ-CG 3.34Å; F165-F193 HydrophobicContact CZ-CZ 4.24Å
166D59.9Low69.5Low49 Ų4954 Ų5426%0.26228%0.275SS..  trans-84.693.4178.9-173.82.5000110.7K164 L168 N169 Q434K164-D166 PolarHBondContact O-N 2.76Å; D166-L168 PolarHBondContact O-N 2.87Å; D166-L168 WeakPolarHBondContact OD1-CA 3.41Å; D166-L168 WeakPolarHBondContact OD1-CB 3.24Å; D166-L168 PolarHBondContact OD1-N 2.75Å; D166-N169 HydrophobicContact CB-CB 4.09Å; D166-N169 WeakPolarHBondContact O-CB 3.49Å; D166-N169 PolarHBondContact O-N 3.39Å; D166-N169 VanDerWaalsContact O-N 3.08Å; D166-N169 PolarHBondContact OD1-N 3.21Å; D166-Q434 PolarHBondContact OD1-NE2 3.11Å
167L56.6Low68.6Low55 Ų5555.9 Ų55.929%0.28829%0.286SS..THydrogen-bonded Turntrans-61.6-17.1173-78.8167.7000113.3F165 F172F165-L167 HydrophobicContact CD1-CD2 4Å; F165-L167 HydrophobicContact CD1-CG 3.88Å; F165-L167 HydrophobicContact CE1-CD2 3.52Å; F165-L167 HydrophobicContact CE1-CG 3.91Å; F165-L167 PolarHBondContact O-N 2.98Å; L167-F172 HydrophobicContact CD2-CE1 4.07Å; L167-F172 HydrophobicContact CD2-CZ 4.06Å; L167-F172 WeakPolarHBondContact O-CD1 3.36Å; L167-F172 WeakPolarHBondContact O-CE1 3.22Å
168L56.8Low67.7Low33 Ų3360 Ų6017%0.17330%0.299CS..THydrogen-bonded Turntrans-100.86.5178-61175.7000112.2Q5 D166 L173 V433Q5-L168 HydrophobicContact CB-CD2 4.49Å; D166-L168 PolarHBondContact O-N 2.87Å; D166-L168 WeakPolarHBondContact OD1-CA 3.41Å; D166-L168 WeakPolarHBondContact OD1-CB 3.24Å; D166-L168 PolarHBondContact OD1-N 2.75Å; L168-L173 VanDerWaalsContact O-CD1 3.31Å; L168-L173 WeakPolarHBondContact O-CD1 3.27Å; L168-V433 HydrophobicContact CD1-CG2 4.3Å
169N64.4Low67.1Low60 Ų6063.5 Ų63.532%0.32131%0.314SS..  trans-54.5127.3178.1-174.2-47.9000109.8D166 L171 F172 L173D166-N169 HydrophobicContact CB-CB 4.09Å; D166-N169 WeakPolarHBondContact O-CB 3.49Å; D166-N169 PolarHBondContact O-N 3.39Å; D166-N169 VanDerWaalsContact O-N 3.08Å; D166-N169 PolarHBondContact OD1-N 3.21Å; N169-L171 PolarHBondContact O-N 3.4Å; N169-L171 WeakPolarHBondContact OD1-CB 3.38Å; N169-L171 PolarHBondContact OD1-N 3.34Å; N169-F172 HydrophobicContact CB-CB 4.17Å; N169-F172 WeakPolarHBondContact O-CA 3.29Å; N169-F172 WeakPolarHBondContact O-CB 3.2Å; N169-F172 PolarHBondContact O-N 3.13Å; N169-L173 PolarHBondContact O-N 3.32Å
170P60.7Low66.5Low98 Ų9866.6 Ų66.664%0.63633%0.334SS*.Hα-helixtrans-53-33.4-178.2-28.434.4000113.8A174P170-A174 WeakPolarHBondContact O-CB 3.5Å; P170-A174 PolarHBondContact O-N 3.12Å
171L61.4Low66.1Low141 Ų14168.7 Ų68.774%0.73834%0.343SS*.Hα-helixtrans-68-40.4175.1-69.8163.1000111.8N169 R175N169-L171 PolarHBondContact O-N 3.4Å; N169-L171 WeakPolarHBondContact OD1-CB 3.38Å; N169-L171 PolarHBondContact OD1-N 3.34Å; L171-R175 VanDerWaalsContact O-CB 3.29Å; L171-R175 WeakPolarHBondContact O-CB 3.25Å; L171-R175 PolarHBondContact O-N 3.41Å
172F63.9Low65.7Low15 Ų1566.7 Ų66.77%0.06634%0.337CS..Hα-helixtrans-68.7-43.3176.2178.4-96.7000111.5F60 L167 N169 R175 K176 F193F60-F172 HydrophobicContact CD1-CZ 4.36Å; F60-F172 HydrophobicContact CE1-CZ 4.31Å; L167-F172 HydrophobicContact CD2-CE1 4.07Å; L167-F172 HydrophobicContact CD2-CZ 4.06Å; L167-F172 WeakPolarHBondContact O-CD1 3.36Å; L167-F172 WeakPolarHBondContact O-CE1 3.22Å; N169-F172 HydrophobicContact CB-CB 4.17Å; N169-F172 WeakPolarHBondContact O-CA 3.29Å; N169-F172 WeakPolarHBondContact O-CB 3.2Å; N169-F172 PolarHBondContact O-N 3.13Å; F172-R175 VanDerWaalsContact CE2-NH2 3.26Å; F172-R175 PolarHBondContact O-N 3.41Å; F172-K176 HydrophobicContact CE1-CD 4.16Å; F172-K176 VanDerWaalsContact O-CB 3.29Å; F172-K176 WeakPolarHBondContact O-CB 3.3Å; F172-K176 PolarHBondContact O-N 3.29Å; F172-F193 AromaticContact CD2-CE1 3.73Å; F172-F193 HydrophobicContact CD2-CE1 3.73Å; F172-F193 AromaticContact CD2-CZ 3.63Å; F172-F193 HydrophobicContact CD2-CZ 3.63Å; F172-F193 AromaticContact CE2-CE1 3.95Å; F172-F193 HydrophobicContact CE2-CE1 3.95Å; F172-F193 HydrophobicContact CE2-CE2 4Å; F172-F193 AromaticContact CE2-CZ 3.36Å; F172-F193 HydrophobicContact CE2-CZ 3.36Å
173L62.9Low65.5Low30 Ų3066.7 Ų66.716%0.15734%0.338CS..Hα-helixtrans-65.9-42.6176.7-66.5-177.8000112I2 L168 N169 K176 T177I2-L173 HydrophobicContact CG2-CD1 4.11Å; I2-L173 HydrophobicContact CG2-CD2 3.69Å; I2-L173 HydrophobicContact CG2-CG 4.38Å; L168-L173 VanDerWaalsContact O-CD1 3.31Å; L168-L173 WeakPolarHBondContact O-CD1 3.27Å; N169-L173 PolarHBondContact O-N 3.32Å; L173-K176 PolarHBondContact O-N 3.49Å; L173-T177 VanDerWaalsContact O-CB 3.26Å; L173-T177 WeakPolarHBondContact O-CB 3.4Å; L173-T177 PolarHBondContact O-N 2.9Å; L173-T177 PolarHBondContact O-OG1 3.23Å
174A59.6Low65.6Low34 Ų3468.5 Ų68.528%0.28135%0.353SS..Hα-helixtrans-64.2-41.8176.600000111.5P170 F178 F179P170-A174 WeakPolarHBondContact O-CB 3.5Å; P170-A174 PolarHBondContact O-N 3.12Å; A174-F178 WeakPolarHBondContact O-CA 3.24Å; A174-F178 WeakPolarHBondContact O-CB 3.28Å; A174-F178 PolarHBondContact O-N 3.15Å; A174-F179 PolarHBondContact O-N 3.49Å
175R66.4Low66Low34 Ų3463.7 Ų63.713%0.12834%0.335CS..Hα-helixtrans-60.2-52.3172.1-176.6-16469.8100.1-0.8111.8L171 F172 T177 F179L171-R175 VanDerWaalsContact O-CB 3.29Å; L171-R175 WeakPolarHBondContact O-CB 3.25Å; L171-R175 PolarHBondContact O-N 3.41Å; F172-R175 VanDerWaalsContact CE2-NH2 3.26Å; F172-R175 PolarHBondContact O-N 3.41Å; R175-T177 PolarHBondContact O-N 2.94Å; R175-F179 CarbonylContact O-C 3.5Å; R175-F179 PolarHBondContact O-N 3.49Å; R175-F179 VanDerWaalsContact O-N 3.15Å
176K63.6Low66.6Low30 Ų3063.3 Ų63.313%0.1334%0.335CS..Hα-helixtrans-60.8-32.5-176.6-170.9-180179.6-175.20112.3D28 F172 L173D28-K176 WeakPolarHBondContact O-CE 3.5Å; D28-K176 IonicContact OD1-NZ 2.83Å; D28-K176 WeakPolarHBondContact OD2-CE 3.39Å; D28-K176 IonicContact OD2-NZ 3.36Å; D28-K176 PolarHBondContact OD2-NZ 2.91Å; F172-K176 HydrophobicContact CE1-CD 4.16Å; F172-K176 VanDerWaalsContact O-CB 3.29Å; F172-K176 WeakPolarHBondContact O-CB 3.3Å; F172-K176 PolarHBondContact O-N 3.29Å; L173-K176 PolarHBondContact O-N 3.49Å
177T61.3Low67.3Low40 Ų4064.7 Ų64.725%0.24534%0.341CS..Hα-helixtrans-97-45.8-173.1-50.20000112.9I2 L173 R175I2-T177 VanDerWaalsContact CD1-OG1 3.32Å; I2-T177 WeakPolarHBondContact CD1-OG1 3.47Å; L173-T177 VanDerWaalsContact O-CB 3.26Å; L173-T177 WeakPolarHBondContact O-CB 3.4Å; L173-T177 PolarHBondContact O-N 2.9Å; L173-T177 PolarHBondContact O-OG1 3.23Å; R175-T177 PolarHBondContact O-N 2.94Å
178F66.9Low68.2Low143 Ų14371 Ų7163%0.62737%0.366SS*.Hα-helixtrans-109.8-29.6-169.5-58.8-74.1000113.9A174 P180A174-F178 WeakPolarHBondContact O-CA 3.24Å; A174-F178 WeakPolarHBondContact O-CB 3.28Å; A174-F178 PolarHBondContact O-N 3.15Å; F178-P180 VanDerWaalsContact C-CD 3.5Å
179F73.3Confident69.2Low93 Ų9377.1 Ų77.141%0.40839%0.391SS..  trans-13157.9-169.5-51.7-72.1000114.2A174 R175 F181 L182A174-F179 PolarHBondContact O-N 3.49Å; R175-F179 CarbonylContact O-C 3.5Å; R175-F179 PolarHBondContact O-N 3.49Å; R175-F179 VanDerWaalsContact O-N 3.15Å; F179-F181 HydrophobicContact CB-CE1 4.21Å; F179-F181 HydrophobicContact CB-CZ 4.34Å; F179-F181 AromaticContact CD1-CE1 3.75Å; F179-F181 HydrophobicContact CD1-CE1 3.75Å; F179-F181 AromaticContact CD1-CZ 3.65Å; F179-F181 HydrophobicContact CD1-CZ 3.65Å; F179-F181 HydrophobicContact CG-CE1 4.48Å; F179-F181 HydrophobicContact CG-CZ 4.47Å; F179-F181 PolarHBondContact O-N 2.96Å; F179-L182 HydrophobicContact CB-CB 4.49Å; F179-L182 HydrophobicContact CB-CD1 3.51Å; F179-L182 HydrophobicContact CB-CG 3.86Å; F179-L182 HydrophobicContact CG-CD1 4.07Å; F179-L182 WeakPolarHBondContact O-CB 3.25Å; F179-L182 PolarHBondContact O-N 3.39Å
180P69.9Low69.6Low65 Ų6580.8 Ų80.842%0.42241%0.406SS..THydrogen-bonded Turntrans-63.5-29.217928.6-37.3000112.8F178 L182 G183F178-P180 VanDerWaalsContact C-CD 3.5Å; P180-L182 PolarHBondContact O-N 3.47Å; P180-G183 PolarHBondContact O-N 2.85Å; P180-G183 VanDerWaalsContact O-N 3.08Å
181F74.9Confident70.2Confident128 Ų12881.3 Ų81.356%0.56140%0.399SS*.THydrogen-bonded Turntrans-65.6-15.5178.264.1-95.3000113.6F179 G183F179-F181 HydrophobicContact CB-CE1 4.21Å; F179-F181 HydrophobicContact CB-CZ 4.34Å; F179-F181 AromaticContact CD1-CE1 3.75Å; F179-F181 HydrophobicContact CD1-CE1 3.75Å; F179-F181 AromaticContact CD1-CZ 3.65Å; F179-F181 HydrophobicContact CD1-CZ 3.65Å; F179-F181 HydrophobicContact CG-CE1 4.48Å; F179-F181 HydrophobicContact CG-CZ 4.47Å; F179-F181 PolarHBondContact O-N 2.96Å; F181-G183 VanDerWaalsContact C-N 3.27Å; F181-G183 PolarHBondContact O-N 2.65Å
182L73.6Confident70.8Confident60 Ų6075.8 Ų75.831%0.31437%0.372SS..Hα-helixtrans-74.4-15.8173.6-66.7178.2000112.7F179 P180 I185 L186F179-L182 HydrophobicContact CB-CB 4.49Å; F179-L182 HydrophobicContact CB-CD1 3.51Å; F179-L182 HydrophobicContact CB-CG 3.86Å; F179-L182 HydrophobicContact CG-CD1 4.07Å; F179-L182 WeakPolarHBondContact O-CB 3.25Å; F179-L182 PolarHBondContact O-N 3.39Å; P180-L182 PolarHBondContact O-N 3.47Å; L182-I185 HydrophobicContact CD2-CD1 4.22Å; L182-I185 PolarHBondContact O-N 2.96Å; L182-L186 HydrophobicContact CB-CD1 4.41Å; L182-L186 WeakPolarHBondContact O-CB 3.44Å; L182-L186 VanDerWaalsContact O-CG 3.26Å; L182-L186 WeakPolarHBondContact O-CG 3.21Å; L182-L186 PolarHBondContact O-N 2.69Å
183G73.6Confident71.2Confident5 Ų576.8 Ų76.85%0.05238%0.376CS..Hα-helixtrans-55.4-60.7-179.900000113.1P180 F181 I185 L186 E187P180-G183 PolarHBondContact O-N 2.85Å; P180-G183 VanDerWaalsContact O-N 3.08Å; F181-G183 VanDerWaalsContact C-N 3.27Å; F181-G183 PolarHBondContact O-N 2.65Å; G183-I185 PolarHBondContact O-N 2.87Å; G183-L186 PolarHBondContact O-N 3.44Å; G183-L186 VanDerWaalsContact O-N 3.13Å; G183-E187 PolarHBondContact O-N 2.64Å
184P75.3Confident71.7Confident88 Ų8877 Ų7757%0.57138%0.376SS*.Hα-helixtrans-59.8-30.1178.4-25.534.7000113.8K188P184-K188 WeakPolarHBondContact O-CB 3.39Å; P184-K188 PolarHBondContact O-N 3.25Å; P184-K188 VanDerWaalsContact O-N 3.13Å
185I79.1Confident72.7Confident78 Ų7877.9 Ų77.940%0.438%0.379SS..Hα-helixtrans-69.6-48.6177.2-63.5172.4000109.8L182 G183 E187 K188 F189L182-I185 HydrophobicContact CD2-CD1 4.22Å; L182-I185 PolarHBondContact O-N 2.96Å; G183-I185 PolarHBondContact O-N 2.87Å; I185-E187 VanDerWaalsContact C-N 3.34Å; I185-E187 PolarHBondContact O-N 3.49Å; I185-K188 WeakPolarHBondContact O-CB 3.46Å; I185-K188 PolarHBondContact O-N 3.08Å; I185-K188 VanDerWaalsContact O-N 3.13Å; I185-F189 HydrophobicContact CG2-CD2 3.75Å; I185-F189 HydrophobicContact CG2-CE2 3.57Å; I185-F189 WeakPolarHBondContact O-CD2 3.12Å; I185-F189 PolarHBondContact O-N 3.01Å
186L75.4Confident73.4Confident50 Ų5081.8 Ų81.826%0.26240%0.397SS..Hα-helixtrans-62.7-39.3178.6-73.6173.1000112.1L62 L182 G183 K188 F189 E190 F191L62-L186 HydrophobicContact CD2-CB 3.84Å; L182-L186 HydrophobicContact CB-CD1 4.41Å; L182-L186 WeakPolarHBondContact O-CB 3.44Å; L182-L186 VanDerWaalsContact O-CG 3.26Å; L182-L186 WeakPolarHBondContact O-CG 3.21Å; L182-L186 PolarHBondContact O-N 2.69Å; G183-L186 PolarHBondContact O-N 3.44Å; G183-L186 VanDerWaalsContact O-N 3.13Å; L186-K188 VanDerWaalsContact C-N 3.32Å; L186-K188 PolarHBondContact O-N 3.48Å; L186-F189 CarbonylContact O-C 3.55Å; L186-F189 PolarHBondContact O-N 3.49Å; L186-F189 VanDerWaalsContact O-N 3.14Å; L186-E190 PolarHBondContact O-N 2.87Å; L186-F191 HydrophobicContact CB-CB 4.04Å; L186-F191 HydrophobicContact CD2-CB 4.2Å; L186-F191 HydrophobicContact CD2-CG 4.29Å; L186-F191 VanDerWaalsContact O-CB 3.31Å; L186-F191 WeakPolarHBondContact O-CB 3Å; L186-F191 PolarHBondContact O-N 3.49Å
187E73.4Confident74.4Confident79 Ų7983.8 Ų83.837%0.36941%0.414SS..Hα-helixtrans-60.1-42.5172-75.4166.8-14000111.9H61 L62 G183 I185 F189 E190H61-E187 WeakPolarHBondContact CB-OE1 3.38Å; L62-E187 HydrophobicContact CD2-CG 3.72Å; G183-E187 PolarHBondContact O-N 2.64Å; I185-E187 VanDerWaalsContact C-N 3.34Å; I185-E187 PolarHBondContact O-N 3.49Å; E187-F189 PolarHBondContact O-N 3.13Å; E187-E190 WeakPolarHBondContact O-CA 3.46Å; E187-E190 PolarHBondContact O-N 2.93Å
188K76.7Confident75.5Confident188 Ų18881.9 Ų81.982%0.81740%0.403SS*.Hα-helixtrans-64.8-28176-169.4172.7-177.2177.40112.9P184 I185 L186 E190P184-K188 WeakPolarHBondContact O-CB 3.39Å; P184-K188 PolarHBondContact O-N 3.25Å; P184-K188 VanDerWaalsContact O-N 3.13Å; I185-K188 WeakPolarHBondContact O-CB 3.46Å; I185-K188 PolarHBondContact O-N 3.08Å; I185-K188 VanDerWaalsContact O-N 3.13Å; L186-K188 VanDerWaalsContact C-N 3.32Å; L186-K188 PolarHBondContact O-N 3.48Å; K188-E190 PolarHBondContact O-N 3.21Å
189F77.1Confident76.4Confident160 Ų16075.5 Ų75.570%0.70238%0.375SS*.THydrogen-bonded Turntrans-84.911.6171.1-74.8-71.3000113.4I185 L186 E187 F191I185-F189 HydrophobicContact CG2-CD2 3.75Å; I185-F189 HydrophobicContact CG2-CE2 3.57Å; I185-F189 WeakPolarHBondContact O-CD2 3.12Å; I185-F189 PolarHBondContact O-N 3.01Å; L186-F189 CarbonylContact O-C 3.55Å; L186-F189 PolarHBondContact O-N 3.49Å; L186-F189 VanDerWaalsContact O-N 3.14Å; E187-F189 PolarHBondContact O-N 3.13Å; F189-F191 PolarHBondContact O-N 3Å; F189-F191 VanDerWaalsContact O-N 3.16Å
190E72.8Confident77.1Confident138 Ų13875.1 Ų75.165%0.64538%0.378SS*.THydrogen-bonded Turntrans56.525.2-176.9-55.9-174.8172.500113.9L186 E187 K188 S192 K196L186-E190 PolarHBondContact O-N 2.87Å; E187-E190 WeakPolarHBondContact O-CA 3.46Å; E187-E190 PolarHBondContact O-N 2.93Å; K188-E190 PolarHBondContact O-N 3.21Å; E190-S192 PolarHBondContact O-N 3.36Å; E190-K196 IonicContact OE2-NZ 2.7Å; E190-K196 PolarHBondContact OE2-NZ 2.93Å
191F74.2Confident78Confident109 Ų10974.7 Ų74.748%0.47837%0.369SS..  trans-70.5128.7174-172.1-91.1000109.5L62 L186 F189L62-F191 HydrophobicContact CD1-CD1 4.3Å; L62-F191 HydrophobicContact CD2-CD1 4.25Å; L62-F191 WeakPolarHBondContact CD2-O 3.24Å; L186-F191 HydrophobicContact CB-CB 4.04Å; L186-F191 HydrophobicContact CD2-CB 4.2Å; L186-F191 HydrophobicContact CD2-CG 4.29Å; L186-F191 VanDerWaalsContact O-CB 3.31Å; L186-F191 WeakPolarHBondContact O-CB 3Å; L186-F191 PolarHBondContact O-N 3.49Å; F189-F191 PolarHBondContact O-N 3Å; F189-F191 VanDerWaalsContact O-N 3.16Å
192S73.4Confident78.6Confident24 Ų2468.7 Ų68.717%0.16834%0.343CS..  trans-129.8148.8-178.4175.30000109.9E190 F194E190-S192 PolarHBondContact O-N 3.36Å; S192-F194 WeakPolarHBondContact CB-O 3.4Å; S192-F194 PolarHBondContact O-N 3.2Å; S192-F194 PolarHBondContact OG-N 2.92Å; S192-F194 VanDerWaalsContact OG-N 3.1Å; S192-F194 PolarHBondContact OG-O 2.79Å
193F71.8Confident79.3Confident36 Ų3667.2 Ų67.216%0.15833%0.333CS..SBendtrans-66.8-27169.5-72.7-30.3000113.5F60 L62 F165 F172F60-F193 HydrophobicContact CB-CE2 3.7Å; F60-F193 HydrophobicContact CB-CZ 4.47Å; F60-F193 HydrophobicContact CG-CE2 4.46Å; L62-F193 HydrophobicContact CB-CD1 4.17Å; L62-F193 HydrophobicContact CB-CD2 3.81Å; L62-F193 HydrophobicContact CB-CE1 4.02Å; L62-F193 HydrophobicContact CB-CE2 3.65Å; L62-F193 HydrophobicContact CB-CG 4.06Å; L62-F193 HydrophobicContact CB-CZ 3.73Å; L62-F193 HydrophobicContact CD1-CD1 4.35Å; L62-F193 HydrophobicContact CD1-CE1 3.53Å; L62-F193 HydrophobicContact CD1-CE2 4.22Å; L62-F193 HydrophobicContact CD1-CZ 3.43Å; L62-F193 VanDerWaalsContact CD1-CZ 3.43Å; L62-F193 HydrophobicContact CG-CE1 4.42Å; L62-F193 HydrophobicContact CG-CE2 4.45Å; L62-F193 HydrophobicContact CG-CZ 4.13Å; L62-F193 PolarHBondContact O-N 2.99Å; F165-F193 HydrophobicContact CD2-CB 4.03Å; F165-F193 HydrophobicContact CD2-CG 4.45Å; F165-F193 HydrophobicContact CE2-CB 3.28Å; F165-F193 AromaticContact CE2-CD1 3.4Å; F165-F193 HydrophobicContact CE2-CD1 3.4Å; F165-F193 HydrophobicContact CE2-CD2 4.08Å; F165-F193 HydrophobicContact CE2-CE1 4.25Å; F165-F193 AromaticContact CE2-CG 3.31Å; F165-F193 HydrophobicContact CE2-CG 3.31Å; F165-F193 HydrophobicContact CZ-CB 3.77Å; F165-F193 AromaticContact CZ-CD1 3.48Å; F165-F193 HydrophobicContact CZ-CD1 3.48Å; F165-F193 VanDerWaalsContact CZ-CD1 3.48Å; F165-F193 AromaticContact CZ-CD2 3.65Å; F165-F193 HydrophobicContact CZ-CD2 3.65Å; F165-F193 AromaticContact CZ-CE1 3.95Å; F165-F193 HydrophobicContact CZ-CE1 3.95Å; F165-F193 HydrophobicContact CZ-CE2 4.07Å; F165-F193 AromaticContact CZ-CG 3.34Å; F165-F193 HydrophobicContact CZ-CG 3.34Å; F165-F193 HydrophobicContact CZ-CZ 4.24Å; F172-F193 AromaticContact CD2-CE1 3.73Å; F172-F193 HydrophobicContact CD2-CE1 3.73Å; F172-F193 AromaticContact CD2-CZ 3.63Å; F172-F193 HydrophobicContact CD2-CZ 3.63Å; F172-F193 AromaticContact CE2-CE1 3.95Å; F172-F193 HydrophobicContact CE2-CE1 3.95Å; F172-F193 HydrophobicContact CE2-CE2 4Å; F172-F193 AromaticContact CE2-CZ 3.36Å; F172-F193 HydrophobicContact CE2-CZ 3.36Å
194F74.4Confident80.1Confident36 Ų3669.8 Ų69.816%0.15835%0.354CS..SBendtrans-89.1130174.3-57.5-63.6000109.2L66 M162 S192 K196 T199L66-F194 HydrophobicContact CB-CE2 4.48Å; L66-F194 HydrophobicContact CD1-CD2 3.8Å; L66-F194 HydrophobicContact CD1-CE2 3.79Å; L66-F194 HydrophobicContact CD1-CG 4.34Å; L66-F194 HydrophobicContact CD1-CZ 4.32Å; M162-F194 HydrophobicContact CE-CD1 3.73Å; M162-F194 HydrophobicContact CE-CE1 3.35Å; M162-F194 HydrophobicContact CE-CZ 3.89Å; M162-F194 HydrophobicContact CG-CD1 3.55Å; M162-F194 HydrophobicContact CG-CE1 3.84Å; M162-F194 HydrophobicContact SD-CD1 4.31Å; M162-F194 HydrophobicContact SD-CE1 4.41Å; S192-F194 WeakPolarHBondContact CB-O 3.4Å; S192-F194 PolarHBondContact O-N 3.2Å; S192-F194 PolarHBondContact OG-N 2.92Å; S192-F194 VanDerWaalsContact OG-N 3.1Å; S192-F194 PolarHBondContact OG-O 2.79Å; F194-K196 PolarHBondContact O-N 3.03Å; F194-T199 HydrophobicContact CB-CG2 3.96Å
195P79.3Confident80.7Confident52 Ų5266.9 Ų66.934%0.33834%0.336SS..  trans-56.6128.1177.5-22.831.8000110.6S197 V198 T199P195-S197 PolarHBondContact O-N 3.43Å; P195-V198 HydrophobicContact CB-CB 4.36Å; P195-V198 HydrophobicContact CB-CG2 3.98Å; P195-V198 HydrophobicContact CG-CG2 4.22Å; P195-V198 WeakPolarHBondContact O-CA 3.23Å; P195-V198 WeakPolarHBondContact O-CB 3.43Å; P195-V198 PolarHBondContact O-N 3.1Å; P195-T199 PolarHBondContact O-N 3.42Å
196K81.9Confident81.1Confident116 Ų11663.3 Ų63.350%0.50432%0.317SS..Hα-helixtrans-55.3-38.2-178.3-170.5168-177.8169.40112.3E190 F194 V198 T199 D200E190-K196 IonicContact OE2-NZ 2.7Å; E190-K196 PolarHBondContact OE2-NZ 2.93Å; F194-K196 PolarHBondContact O-N 3.03Å; K196-V198 PolarHBondContact O-N 3.25Å; K196-T199 WeakPolarHBondContact CA-OG1 3.31Å; K196-T199 PolarHBondContact O-N 2.88Å; K196-T199 PolarHBondContact O-OG1 2.88Å; K196-D200 WeakPolarHBondContact O-CB 3.19Å; K196-D200 PolarHBondContact O-N 2.68Å
197S84.9Confident81.7Confident72 Ų7266.3 Ų66.350%0.50333%0.33SS..Hα-helixtrans-58.7-31.8174.966.10000113.9P195 F201P195-S197 PolarHBondContact O-N 3.43Å; S197-F201 WeakPolarHBondContact O-CB 3.08Å; S197-F201 PolarHBondContact O-N 3.46Å
198V84.6Confident82.4Confident0 Ų069.5 Ų69.50%034%0.343CS..Hα-helixtrans-77-47.7178.7172.80000109.6N158 K161 M162 P195 K196 D200 F201 F202 M253N158-V198 HydrophobicContact CB-CG1 4.22Å; N158-V198 HydrophobicContact CB-CG2 4.25Å; K161-V198 HydrophobicContact CB-CG2 3.97Å; K161-V198 HydrophobicContact CD-CG2 4.36Å; M162-V198 HydrophobicContact CB-CG1 4.4Å; P195-V198 HydrophobicContact CB-CB 4.36Å; P195-V198 HydrophobicContact CB-CG2 3.98Å; P195-V198 HydrophobicContact CG-CG2 4.22Å; P195-V198 WeakPolarHBondContact O-CA 3.23Å; P195-V198 WeakPolarHBondContact O-CB 3.43Å; P195-V198 PolarHBondContact O-N 3.1Å; K196-V198 PolarHBondContact O-N 3.25Å; V198-D200 PolarHBondContact O-N 3.38Å; V198-F201 PolarHBondContact O-N 3.06Å; V198-F202 HydrophobicContact CG1-CD2 3.75Å; V198-F202 HydrophobicContact CG1-CE2 3.76Å; V198-F202 VanDerWaalsContact O-CD2 3.27Å; V198-F202 WeakPolarHBondContact O-CD2 3.37Å; V198-F202 PolarHBondContact O-N 3.26Å; V198-F202 VanDerWaalsContact O-N 3.09Å; V198-M253 HydrophobicContact CG1-CE 4.03Å
199T84.9Confident82.8Confident8 Ų861.8 Ų61.85%0.04931%0.31CS..Hα-helixtrans-61.3-44.317850.50000111.5F194 P195 K196 F201 F202 Y203 M253F194-T199 HydrophobicContact CB-CG2 3.96Å; P195-T199 PolarHBondContact O-N 3.42Å; K196-T199 WeakPolarHBondContact CA-OG1 3.31Å; K196-T199 PolarHBondContact O-N 2.88Å; K196-T199 PolarHBondContact O-OG1 2.88Å; T199-F201 PolarHBondContact O-N 3.45Å; T199-F202 PolarHBondContact O-N 2.74Å; T199-Y203 WeakPolarHBondContact O-CB 3.44Å; T199-Y203 VanDerWaalsContact O-CD2 3.29Å; T199-Y203 WeakPolarHBondContact O-CD2 3.2Å; T199-Y203 PolarHBondContact O-N 2.81Å; T199-M253 HydrophobicContact CG2-CE 3.87Å; T199-M253 HydrophobicContact CG2-SD 4.18Å
200D88.5Confident83.2Confident86 Ų8654.6 Ų54.646%0.4628%0.279SS..Hα-helixtrans-63.4-41.8-179.6-64.9-7.2000111.3K196 V198 A204K196-D200 WeakPolarHBondContact O-CB 3.19Å; K196-D200 PolarHBondContact O-N 2.68Å; V198-D200 PolarHBondContact O-N 3.38Å; D200-A204 VanDerWaalsContact O-CB 3.24Å; D200-A204 WeakPolarHBondContact O-CB 3.4Å; D200-A204 PolarHBondContact O-N 2.63Å
201F89.1Confident83.7Confident55 Ų5550.6 Ų50.624%0.24127%0.266CS..Hα-helixtrans-60.7-49.9175.7171-95.2000112.1P154 F155 N158 S197 V198 T199 S205P154-F201 HydrophobicContact CB-CE1 4.36Å; P154-F201 HydrophobicContact CB-CE2 3.75Å; P154-F201 HydrophobicContact CB-CZ 3.54Å; F155-F201 HydrophobicContact CD1-CE1 4.41Å; F155-F201 AromaticContact CD2-CE1 3.89Å; F155-F201 HydrophobicContact CD2-CE1 3.89Å; F155-F201 AromaticContact CD2-CZ 3.75Å; F155-F201 HydrophobicContact CD2-CZ 3.75Å; F155-F201 HydrophobicContact CE1-CE1 4.48Å; F155-F201 AromaticContact CE2-CE1 3.98Å; F155-F201 HydrophobicContact CE2-CE1 3.98Å; F155-F201 AromaticContact CE2-CZ 3.71Å; F155-F201 HydrophobicContact CE2-CZ 3.71Å; F155-F201 HydrophobicContact CG-CE1 4.09Å; F155-F201 HydrophobicContact CG-CZ 4.4Å; F155-F201 HydrophobicContact CZ-CE1 4.27Å; F155-F201 HydrophobicContact CZ-CZ 4.34Å; N158-F201 HydrophobicContact CB-CD1 4.19Å; N158-F201 WeakPolarHBondContact ND2-CD1 3.41Å; N158-F201 WeakPolarHBondContact ND2-CG 3.31Å; S197-F201 WeakPolarHBondContact O-CB 3.08Å; S197-F201 PolarHBondContact O-N 3.46Å; V198-F201 PolarHBondContact O-N 3.06Å; T199-F201 PolarHBondContact O-N 3.45Å; F201-S205 VanDerWaalsContact O-CB 3.3Å; F201-S205 WeakPolarHBondContact O-CB 3.29Å; F201-S205 PolarHBondContact O-N 3.38Å; F201-S205 PolarHBondContact O-OG 3.45Å
202F87Confident84.2Confident2 Ų249.7 Ų49.71%0.00927%0.266CS..Hα-helixtrans-65.7-42.6-179.2-83.8-71000111.2F155 N158 I159 V198 T199 S205 L206 M253 I256F155-F202 HydrophobicContact CD1-CD1 4.2Å; F155-F202 AromaticContact CD1-CE1 3.51Å; F155-F202 HydrophobicContact CD1-CE1 3.51Å; F155-F202 HydrophobicContact CD1-CZ 4.34Å; F155-F202 HydrophobicContact CE1-CD1 4.11Å; F155-F202 AromaticContact CE1-CE1 3.89Å; F155-F202 HydrophobicContact CE1-CE1 3.89Å; F155-F202 HydrophobicContact CG-CE1 4.38Å; N158-F202 HydrophobicContact CB-CE2 3.93Å; N158-F202 HydrophobicContact CB-CZ 4.46Å; I159-F202 HydrophobicContact CB-CZ 4.3Å; I159-F202 HydrophobicContact CD1-CZ 4.36Å; V198-F202 HydrophobicContact CG1-CD2 3.75Å; V198-F202 HydrophobicContact CG1-CE2 3.76Å; V198-F202 VanDerWaalsContact O-CD2 3.27Å; V198-F202 WeakPolarHBondContact O-CD2 3.37Å; V198-F202 PolarHBondContact O-N 3.26Å; V198-F202 VanDerWaalsContact O-N 3.09Å; T199-F202 PolarHBondContact O-N 2.74Å; F202-S205 PolarHBondContact O-N 3.19Å; F202-L206 HydrophobicContact CB-CD1 4.46Å; F202-L206 VanDerWaalsContact O-CB 3.23Å; F202-L206 WeakPolarHBondContact O-CB 3.39Å; F202-L206 WeakPolarHBondContact O-CD1 3.31Å; F202-L206 WeakPolarHBondContact O-CG 3.38Å; F202-L206 PolarHBondContact O-N 3.44Å; F202-M253 HydrophobicContact CB-CG 4.19Å; F202-M253 HydrophobicContact CB-SD 3.97Å; F202-M253 HydrophobicContact CD2-CE 3.91Å; F202-M253 HydrophobicContact CD2-CG 4.45Å; F202-M253 HydrophobicContact CD2-SD 4.38Å; F202-M253 HydrophobicContact CG-CG 4.27Å; F202-M253 HydrophobicContact CG-SD 4.41Å; F202-I256 HydrophobicContact CD1-CD1 4.02Å; F202-I256 HydrophobicContact CE1-CD1 3.95Å; F202-I256 HydrophobicContact CE1-CG2 4.17Å
203Y88.5Confident84.3Confident30 Ų3050.1 Ų50.112%0.11826%0.264CS..Hα-helixtrans-65-47.4-179.6-85-135.8000110.9A65 L66 T199 S205 L206 E207 H246 L249 S250 M253A65-Y203 HydrophobicContact CB-CE1 3.86Å; A65-Y203 HydrophobicContact CB-CE2 4.34Å; A65-Y203 PolarHBondContact O-OH 3.12Å; L66-Y203 HydrophobicContact CD2-CE2 4.32Å; T199-Y203 WeakPolarHBondContact O-CB 3.44Å; T199-Y203 VanDerWaalsContact O-CD2 3.29Å; T199-Y203 WeakPolarHBondContact O-CD2 3.2Å; T199-Y203 PolarHBondContact O-N 2.81Å; Y203-S205 VanDerWaalsContact C-N 3.31Å; Y203-S205 PolarHBondContact O-N 2.92Å; Y203-L206 PolarHBondContact O-N 2.91Å; Y203-E207 WeakPolarHBondContact O-CB 3.49Å; Y203-E207 PolarHBondContact O-N 3.2Å; Y203-H246 AromaticContact CE1-CD2 3.9Å; Y203-H246 AromaticContact CE1-NE2 3.77Å; Y203-L249 HydrophobicContact CD1-CB 4.07Å; Y203-L249 HydrophobicContact CD1-CD1 3.86Å; Y203-L249 HydrophobicContact CD2-CB 4.38Å; Y203-L249 HydrophobicContact CE1-CB 3.97Å; Y203-L249 HydrophobicContact CE1-CD1 4.36Å; Y203-L249 HydrophobicContact CE2-CB 4.28Å; Y203-L249 HydrophobicContact CG-CB 4.27Å; Y203-L249 HydrophobicContact CG-CD1 4.31Å; Y203-S250 PolarHBondContact OH-OG 3.12Å; Y203-M253 HydrophobicContact CD2-SD 4.28Å; Y203-M253 HydrophobicContact CE2-CB 4.49Å; Y203-M253 HydrophobicContact CE2-SD 3.94Å
204A89.4Confident84.5Confident59 Ų5953 Ų5349%0.48828%0.278SS..Hα-helixtrans-61.1-40.1176.600000112.2D200 K208D200-A204 VanDerWaalsContact O-CB 3.24Å; D200-A204 WeakPolarHBondContact O-CB 3.4Å; D200-A204 PolarHBondContact O-N 2.63Å; A204-K208 WeakPolarHBondContact O-CB 3.48Å; A204-K208 PolarHBondContact O-N 2.9Å; A204-K208 VanDerWaalsContact O-N 3.1Å
205S87.9Confident84.4Confident26 Ų2656.6 Ų56.618%0.18230%0.303CS..Hα-helixtrans-67.3-46.1178.4-59.70000111.7F201 F202 Y203 K208 I209F201-S205 VanDerWaalsContact O-CB 3.3Å; F201-S205 WeakPolarHBondContact O-CB 3.29Å; F201-S205 PolarHBondContact O-N 3.38Å; F201-S205 PolarHBondContact O-OG 3.45Å; F202-S205 PolarHBondContact O-N 3.19Å; Y203-S205 VanDerWaalsContact C-N 3.31Å; Y203-S205 PolarHBondContact O-N 2.92Å; S205-K208 PolarHBondContact O-N 2.98Å; S205-I209 WeakPolarHBondContact O-CD1 3.37Å; S205-I209 VanDerWaalsContact O-CG1 3.22Å; S205-I209 WeakPolarHBondContact O-CG1 3.08Å; S205-I209 PolarHBondContact O-N 3.43Å
206L87Confident83.9Confident3 Ų356.9 Ų56.92%0.01631%0.306CS..Hα-helixtrans-70-36.9-179-72.5166.4000112.2F141 F202 Y203 I209 K210 L249 S252 M253 I256F141-L206 HydrophobicContact CD1-CD2 3.94Å; F141-L206 HydrophobicContact CE1-CD2 4Å; F141-L206 HydrophobicContact CG-CD2 4.26Å; F141-L206 HydrophobicContact CZ-CD2 4.35Å; F202-L206 HydrophobicContact CB-CD1 4.46Å; F202-L206 VanDerWaalsContact O-CB 3.23Å; F202-L206 WeakPolarHBondContact O-CB 3.39Å; F202-L206 WeakPolarHBondContact O-CD1 3.31Å; F202-L206 WeakPolarHBondContact O-CG 3.38Å; F202-L206 PolarHBondContact O-N 3.44Å; Y203-L206 PolarHBondContact O-N 2.91Å; L206-I209 HydrophobicContact CD2-CD1 4.36Å; L206-I209 PolarHBondContact O-N 2.9Å; L206-K210 WeakPolarHBondContact O-CB 3.43Å; L206-K210 PolarHBondContact O-N 3.07Å; L206-L249 HydrophobicContact CB-CD2 3.46Å; L206-L249 VanDerWaalsContact CB-CD2 3.46Å; L206-S252 VanDerWaalsContact CD1-CB 3.48Å; L206-M253 HydrophobicContact CD1-CB 4.4Å; L206-I256 HydrophobicContact CD2-CD1 4.43Å
207E88.6Confident82.5Confident114 Ų11460.9 Ų60.953%0.53333%0.327SS..Hα-helixtrans-61.8-46.6173.3-174.6172.7-152.600110.4Y203 I209 K210 S211 L249Y203-E207 WeakPolarHBondContact O-CB 3.49Å; Y203-E207 PolarHBondContact O-N 3.2Å; E207-I209 VanDerWaalsContact C-N 3.33Å; E207-I209 PolarHBondContact O-N 2.85Å; E207-K210 WeakPolarHBondContact O-CB 3.42Å; E207-K210 PolarHBondContact O-N 3.19Å; E207-K210 VanDerWaalsContact O-N 3.15Å; E207-S211 PolarHBondContact O-N 3.04Å; E207-S211 PolarHBondContact O-OG 3.03Å; E207-S211 VanDerWaalsContact O-OG 3.13Å; E207-L249 HydrophobicContact CB-CD2 4.34Å
208K87.8Confident80.9Confident145 Ų14565.4 Ų65.463%0.6334%0.34SS*.Hα-helixtrans-58.8-42.8174.1-173.4177.9-178.3-179.90112.4A204 S205 K210 N212A204-K208 WeakPolarHBondContact O-CB 3.48Å; A204-K208 PolarHBondContact O-N 2.9Å; A204-K208 VanDerWaalsContact O-N 3.1Å; S205-K208 PolarHBondContact O-N 2.98Å; K208-K210 VanDerWaalsContact C-N 3.35Å; K208-N212 WeakPolarHBondContact O-CB 3.19Å; K208-N212 PolarHBondContact O-N 3.35Å; K208-N212 PolarHBondContact O-ND2 3.16Å
209I85.8Confident79.3Confident27 Ų2775.5 Ų75.514%0.13838%0.384CS..Hα-helixtrans-62.7-43.5176.8-66.3159.3000110.4V143 S205 L206 E207 R213 L225V143-I209 HydrophobicContact CG2-CD1 3.6Å; V143-I209 HydrophobicContact CG2-CG1 3.87Å; V143-I209 HydrophobicContact CG2-CG2 4.16Å; S205-I209 WeakPolarHBondContact O-CD1 3.37Å; S205-I209 VanDerWaalsContact O-CG1 3.22Å; S205-I209 WeakPolarHBondContact O-CG1 3.08Å; S205-I209 PolarHBondContact O-N 3.43Å; L206-I209 HydrophobicContact CD2-CD1 4.36Å; L206-I209 PolarHBondContact O-N 2.9Å; E207-I209 VanDerWaalsContact C-N 3.33Å; E207-I209 PolarHBondContact O-N 2.85Å; I209-R213 WeakPolarHBondContact O-CG 3.46Å; I209-R213 PolarHBondContact O-N 3.38Å; I209-L225 HydrophobicContact CG2-CD2 3.6Å
210K84.7Confident77.9Confident9 Ų977.2 Ų77.24%0.03940%0.396CS..Hα-helixtrans-62.2-52177-174.8-169.7172.4-172.30111.4L206 E207 K208 N212 R213 E214 I229 D245L206-K210 WeakPolarHBondContact O-CB 3.43Å; L206-K210 PolarHBondContact O-N 3.07Å; E207-K210 WeakPolarHBondContact O-CB 3.42Å; E207-K210 PolarHBondContact O-N 3.19Å; E207-K210 VanDerWaalsContact O-N 3.15Å; K208-K210 VanDerWaalsContact C-N 3.35Å; K210-N212 VanDerWaalsContact C-N 3.32Å; K210-N212 PolarHBondContact O-N 3.08Å; K210-R213 WeakPolarHBondContact O-CB 3.25Å; K210-R213 PolarHBondContact O-N 2.91Å; K210-E214 WeakPolarHBondContact CE-OE1 3.49Å; K210-E214 PolarHBondContact O-N 3.2Å; K210-E214 VanDerWaalsContact O-N 3.11Å; K210-I229 HydrophobicContact CG-CD1 4.19Å; K210-I229 HydrophobicContact CG-CG1 4.42Å; K210-D245 IonicContact NZ-OD1 3.01Å; K210-D245 PolarHBondContact NZ-OD1 3.2Å; K210-D245 IonicContact NZ-OD2 2.62Å; K210-D245 PolarHBondContact NZ-OD2 3.38Å
211S84.9Confident76.8Confident53 Ų5378 Ų7837%0.37139%0.393SS..Hα-helixtrans-61.7-39.1-178.4-57.70000112.5E207 R213 E214 T215E207-S211 PolarHBondContact O-N 3.04Å; E207-S211 PolarHBondContact O-OG 3.03Å; E207-S211 VanDerWaalsContact O-OG 3.13Å; S211-R213 VanDerWaalsContact C-N 3.25Å; S211-R213 PolarHBondContact O-N 3.01Å; S211-E214 PolarHBondContact O-N 3.37Å; S211-T215 WeakPolarHBondContact O-CG2 3.43Å; S211-T215 PolarHBondContact O-N 2.98Å; S211-T215 PolarHBondContact O-OG1 3.13Å
212N83.3Confident75.6Confident90 Ų9077.7 Ų77.748%0.48140%0.395SS..Hα-helixtrans-61.9-33.9175.6-74.6-10.7000112.2K208 K210 T215 S216K208-N212 WeakPolarHBondContact O-CB 3.19Å; K208-N212 PolarHBondContact O-N 3.35Å; K208-N212 PolarHBondContact O-ND2 3.16Å; K210-N212 VanDerWaalsContact C-N 3.32Å; K210-N212 PolarHBondContact O-N 3.08Å; N212-T215 WeakPolarHBondContact CA-OG1 3.27Å; N212-T215 PolarHBondContact O-OG1 3.45Å; N212-T215 VanDerWaalsContact O-OG1 3.06Å; N212-S216 WeakPolarHBondContact O-CB 3.41Å; N212-S216 PolarHBondContact O-N 2.83Å; N212-S216 VanDerWaalsContact O-N 3.11Å; N212-S216 PolarHBondContact O-OG 3.29Å
213R77Confident75Confident34 Ų3477.7 Ų77.713%0.12840%0.395CS..Hα-helixtrans-76.3-33.9177.6-73.6175.5174.5-142.42.3113.9F141 I209 K210 S211 T215 D223F141-R213 PolarHBondContact O-NH2 2.59Å; I209-R213 WeakPolarHBondContact O-CG 3.46Å; I209-R213 PolarHBondContact O-N 3.38Å; K210-R213 WeakPolarHBondContact O-CB 3.25Å; K210-R213 PolarHBondContact O-N 2.91Å; S211-R213 VanDerWaalsContact C-N 3.25Å; S211-R213 PolarHBondContact O-N 3.01Å; R213-T215 VanDerWaalsContact C-N 3.26Å; R213-D223 IonicContact CZ-OD1 2.69Å; R213-D223 IonicContact CZ-OD2 3Å; R213-D223 VanDerWaalsContact CZ-OD2 3.31Å; R213-D223 VanDerWaalsContact NH1-CG 3.32Å; R213-D223 IonicContact NH1-OD1 3.85Å; R213-D223 PolarHBondContact NH1-OD1 3.27Å; R213-D223 IonicContact NH1-OD2 2.62Å; R213-D223 PolarHBondContact NH1-OD2 2.94Å; R213-D223 VanDerWaalsContact NH1-OD2 3.16Å; R213-D223 IonicContact NH2-OD1 2.71Å; R213-D223 IonicContact NH2-OD2 2.58Å; R213-D223 PolarHBondContact NH2-OD2 3.5Å
214E74.6Confident74.6Confident95 Ų9576.6 Ų76.644%0.44439%0.391SS..Hα-helixtrans-70.7-28.8177.1-70-176.8148.300112.1K210 S211K210-E214 WeakPolarHBondContact CE-OE1 3.49Å; K210-E214 PolarHBondContact O-N 3.2Å; K210-E214 VanDerWaalsContact O-N 3.11Å; S211-E214 PolarHBondContact O-N 3.37Å
215T73.9Confident74.3Confident113 Ų11373.9 Ų73.969%0.69337%0.369SS*.Hα-helixtrans-88.2-27.1-179.949.50000113.6S211 N212 R213S211-T215 WeakPolarHBondContact O-CG2 3.43Å; S211-T215 PolarHBondContact O-N 2.98Å; S211-T215 PolarHBondContact O-OG1 3.13Å; N212-T215 WeakPolarHBondContact CA-OG1 3.27Å; N212-T215 PolarHBondContact O-OG1 3.45Å; N212-T215 VanDerWaalsContact O-OG1 3.06Å; R213-T215 VanDerWaalsContact C-N 3.26Å
216S67.3Low74Confident57 Ų5774.4 Ų74.440%0.39937%0.368SS..  trans-84.4122.317847.20000111.7N212 Q218N212-S216 WeakPolarHBondContact O-CB 3.41Å; N212-S216 PolarHBondContact O-N 2.83Å; N212-S216 VanDerWaalsContact O-N 3.11Å; N212-S216 PolarHBondContact O-OG 3.29Å; S216-Q218 PolarHBondContact O-N 3.16Å; S216-Q218 VanDerWaalsContact O-N 3.15Å
217Q52.8Low73.5Confident200 Ų20076 Ų7694%0.93538%0.376SS*.  trans-71.41174.7-76.4-175.2-13.300113.9K219Q217-K219 PolarHBondContact O-N 2.89Å
218Q51.2Low73.3Confident167 Ų16770.6 Ų70.678%0.7835%0.351SS*.SBendtrans-71.7117.5179.8-124.9158.6-7.900108.2S216 S220S216-Q218 PolarHBondContact O-N 3.16Å; S216-Q218 VanDerWaalsContact O-N 3.15Å; Q218-S220 PolarHBondContact O-N 3.42Å
219K51.3Low73Confident212 Ų21263.8 Ų63.892%0.92232%0.322SS*.  trans-5988.9168.6-80.9-178.8176.7176.70108Q217Q217-K219 PolarHBondContact O-N 2.89Å
220S55.3Low72.7Confident45 Ų4565.6 Ų65.632%0.31533%0.332SS..  trans-66.1151.6173.384.70000108.6Q218Q218-S220 PolarHBondContact O-N 3.42Å
221R64.7Low72.2Confident102 Ų10265.7 Ų65.739%0.38533%0.333SS..  trans-52.6143173.2-177.8-177.1-171.9156.1-7.4109.7E96 D223E96-R221 PolarHBondContact O-NH2 2.93Å; R221-D223 PolarHBondContact O-N 2.84Å
222V64.1Low71.6Confident48 Ų4864.7 Ų64.729%0.29132%0.323SS..  trans-68.4101.2175.5-176.10000109L227V222-L227 HydrophobicContact CG1-CD1 4.19Å; V222-L227 HydrophobicContact CG1-CD2 3.7Å; V222-L227 HydrophobicContact CG1-CG 3.79Å
223D75.9Confident71Confident3 Ų365.9 Ų65.92%0.01632%0.324CS..  trans-115.4-178.6175.660.325.9000111.7T139 S142 R213 R221 L225 Q226 L227T139-D223 WeakPolarHBondContact O-CB 3.49Å; S142-D223 WeakPolarHBondContact CB-OD2 3.18Å; S142-D223 PolarHBondContact OG-OD2 3.25Å; R213-D223 IonicContact CZ-OD1 2.69Å; R213-D223 IonicContact CZ-OD2 3Å; R213-D223 VanDerWaalsContact CZ-OD2 3.31Å; R213-D223 VanDerWaalsContact NH1-CG 3.32Å; R213-D223 IonicContact NH1-OD1 3.85Å; R213-D223 PolarHBondContact NH1-OD1 3.27Å; R213-D223 IonicContact NH1-OD2 2.62Å; R213-D223 PolarHBondContact NH1-OD2 2.94Å; R213-D223 VanDerWaalsContact NH1-OD2 3.16Å; R213-D223 IonicContact NH2-OD1 2.71Å; R213-D223 IonicContact NH2-OD2 2.58Å; R213-D223 PolarHBondContact NH2-OD2 3.5Å; R221-D223 PolarHBondContact O-N 2.84Å; D223-L225 VanDerWaalsContact C-N 3.3Å; D223-L225 PolarHBondContact O-N 2.88Å; D223-L225 PolarHBondContact OD1-N 3.01Å; D223-Q226 PolarHBondContact O-N 2.94Å; D223-Q226 WeakPolarHBondContact OD1-CB 3.15Å; D223-Q226 PolarHBondContact OD1-N 3.11Å; D223-L227 WeakPolarHBondContact O-CG 3.43Å; D223-L227 PolarHBondContact O-N 3.21Å; D223-L227 VanDerWaalsContact O-N 3.1Å
224F79.1Confident70.4Confident6 Ų668.2 Ų68.23%0.02634%0.339CS..Hα-helixtrans-57.3-42.5-177.1-72.4-71.7000112.1S88 F89 M97 A140 L227 M228 F255 F401S88-F224 WeakPolarHBondContact O-CE1 3.4Å; F89-F224 AromaticContact CD1-CE1 3.75Å; F89-F224 HydrophobicContact CD1-CE1 3.75Å; F89-F224 AromaticContact CD1-CZ 3.58Å; F89-F224 HydrophobicContact CD1-CZ 3.58Å; F89-F224 AromaticContact CD2-CE1 3.68Å; F89-F224 HydrophobicContact CD2-CE1 3.68Å; F89-F224 HydrophobicContact CD2-CZ 4.37Å; F89-F224 AromaticContact CE1-CE1 3.43Å; F89-F224 HydrophobicContact CE1-CE1 3.43Å; F89-F224 VanDerWaalsContact CE1-CE1 3.43Å; F89-F224 HydrophobicContact CE1-CE2 4.22Å; F89-F224 AromaticContact CE1-CZ 3.24Å; F89-F224 HydrophobicContact CE1-CZ 3.24Å; F89-F224 HydrophobicContact CE2-CD1 4.03Å; F89-F224 AromaticContact CE2-CE1 3.35Å; F89-F224 HydrophobicContact CE2-CE1 3.35Å; F89-F224 HydrophobicContact CE2-CZ 4.09Å; F89-F224 AromaticContact CG-CE1 3.88Å; F89-F224 HydrophobicContact CG-CE1 3.88Å; F89-F224 HydrophobicContact CG-CZ 4.15Å; F89-F224 AromaticContact CZ-CD1 4Å; F89-F224 HydrophobicContact CZ-CD1 4Å; F89-F224 AromaticContact CZ-CE1 3.22Å; F89-F224 HydrophobicContact CZ-CE1 3.22Å; F89-F224 HydrophobicContact CZ-CE2 4.46Å; F89-F224 AromaticContact CZ-CZ 3.53Å; F89-F224 HydrophobicContact CZ-CZ 3.53Å; M97-F224 HydrophobicContact CE-CD2 3.88Å; M97-F224 HydrophobicContact CE-CE2 3.6Å; M97-F224 HydrophobicContact CE-CG 4.48Å; M97-F224 HydrophobicContact CE-CZ 3.93Å; M97-F224 HydrophobicContact SD-CE2 3.86Å; M97-F224 HydrophobicContact SD-CZ 4.23Å; A140-F224 HydrophobicContact CB-CB 3.82Å; A140-F224 HydrophobicContact CB-CD2 3.49Å; A140-F224 VanDerWaalsContact CB-CD2 3.49Å; A140-F224 HydrophobicContact CB-CE2 4.49Å; A140-F224 HydrophobicContact CB-CG 4.03Å; F224-L227 PolarHBondContact O-N 3.02Å; F224-M228 WeakPolarHBondContact O-CG 3.47Å; F224-M228 PolarHBondContact O-N 3.46Å; F224-M228 VanDerWaalsContact O-N 3.16Å; F224-F255 HydrophobicContact CD1-CE2 4.34Å; F224-F401 HydrophobicContact CE2-CD2 4.29Å; F224-F401 HydrophobicContact CE2-CE2 4.15Å; F224-F401 HydrophobicContact CZ-CD2 4.39Å
225L83.7Confident69.4Low3 Ų370.5 Ų70.52%0.01635%0.354CS..Hα-helixtrans-68.2-39.9178.8178.459.3000112.3A140 F141 I209 D223 L227 M228 I229 I248A140-L225 WeakPolarHBondContact O-CB 3.44Å; A140-L225 PolarHBondContact O-N 2.87Å; F141-L225 HydrophobicContact CD1-CB 3.9Å; F141-L225 HydrophobicContact CD1-CD2 4.14Å; F141-L225 HydrophobicContact CD1-CG 4.49Å; F141-L225 HydrophobicContact CE1-CB 4.41Å; I209-L225 HydrophobicContact CG2-CD2 3.6Å; D223-L225 VanDerWaalsContact C-N 3.3Å; D223-L225 PolarHBondContact O-N 2.88Å; D223-L225 PolarHBondContact OD1-N 3.01Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 3.27Å; L225-M228 HydrophobicContact CB-CE 4.38Å; L225-M228 HydrophobicContact CD1-CE 4.14Å; L225-M228 PolarHBondContact O-N 2.9Å; L225-I229 HydrophobicContact CD1-CD1 4.1Å; L225-I229 HydrophobicContact CD1-CG1 4.23Å; L225-I229 HydrophobicContact CG-CD1 3.91Å; L225-I229 HydrophobicContact CG-CG1 4.49Å; L225-I229 VanDerWaalsContact O-CG1 3.31Å; L225-I229 WeakPolarHBondContact O-CG1 3.42Å; L225-I229 PolarHBondContact O-N 3.12Å; L225-I248 HydrophobicContact CD1-CG2 3.74Å
226Q81.2Confident68.5Low37 Ų3768.6 Ų68.617%0.17336%0.357CS..Hα-helixtrans-60.7-42.9176.5-171.859.852.400111.4D223 M228 I229 D230D223-Q226 PolarHBondContact O-N 2.94Å; D223-Q226 WeakPolarHBondContact OD1-CB 3.15Å; D223-Q226 PolarHBondContact OD1-N 3.11Å; Q226-M228 VanDerWaalsContact C-N 3.32Å; Q226-M228 PolarHBondContact O-N 2.92Å; Q226-I229 PolarHBondContact O-N 3.04Å; Q226-D230 PolarHBondContact NE2-OD1 2.8Å; Q226-D230 WeakPolarHBondContact O-CB 3.41Å; Q226-D230 PolarHBondContact O-N 3.47Å
227L77.6Confident68Low36 Ų3668.6 Ų68.619%0.18835%0.352CS..Hα-helixtrans-65.1-36177.9-69.3170.9000112.5S88 V222 D223 F224 L225 S231S88-L227 WeakPolarHBondContact OG-CD1 3.43Å; V222-L227 HydrophobicContact CG1-CD1 4.19Å; V222-L227 HydrophobicContact CG1-CD2 3.7Å; V222-L227 HydrophobicContact CG1-CG 3.79Å; D223-L227 WeakPolarHBondContact O-CG 3.43Å; D223-L227 PolarHBondContact O-N 3.21Å; D223-L227 VanDerWaalsContact O-N 3.1Å; F224-L227 PolarHBondContact O-N 3.02Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 3.27Å; L227-S231 PolarHBondContact O-N 3.29Å
228M82.8Confident68.3Low0 Ų065.6 Ų65.60%034%0.338CS..Hα-helixtrans-65.2-42.7173-72.8-171.4-68.300111.9L85 F141 F224 L225 Q226 S231 Q232 L243 I248 Q251 S252L85-M228 HydrophobicContact CD2-CG 3.69Å; L85-M228 HydrophobicContact CD2-SD 3.88Å; F141-M228 HydrophobicContact CE1-CE 4.37Å; F224-M228 WeakPolarHBondContact O-CG 3.47Å; F224-M228 PolarHBondContact O-N 3.46Å; F224-M228 VanDerWaalsContact O-N 3.16Å; L225-M228 HydrophobicContact CB-CE 4.38Å; L225-M228 HydrophobicContact CD1-CE 4.14Å; L225-M228 PolarHBondContact O-N 2.9Å; Q226-M228 VanDerWaalsContact C-N 3.32Å; Q226-M228 PolarHBondContact O-N 2.92Å; M228-S231 WeakPolarHBondContact O-CB 3.12Å; M228-S231 PolarHBondContact O-N 3.23Å; M228-Q232 WeakPolarHBondContact O-CG 3.42Å; M228-Q232 PolarHBondContact O-N 2.83Å; M228-L243 HydrophobicContact CB-CD1 4.17Å; M228-L243 HydrophobicContact CG-CD1 3.96Å; M228-I248 HydrophobicContact CB-CD1 4.07Å; M228-I248 HydrophobicContact CB-CG1 4.01Å; M228-I248 HydrophobicContact CB-CG2 4.16Å; M228-I248 HydrophobicContact CE-CG2 4.17Å; M228-I248 HydrophobicContact SD-CG2 4.23Å; M228-Q251 HydrophobicContact SD-CB 3.65Å; M228-Q251 HydrophobicContact SD-CG 4.27Å; M228-S252 WeakPolarHBondContact CE-OG 3.4Å
229I82.7Confident68.6Low3 Ų365.9 Ų65.92%0.01534%0.337CS..Hα-helixtrans-65.5-44.1175.8-66.7166.8000111K210 L225 Q226 S231 Q232 K233K210-I229 HydrophobicContact CG-CD1 4.19Å; K210-I229 HydrophobicContact CG-CG1 4.42Å; L225-I229 HydrophobicContact CD1-CD1 4.1Å; L225-I229 HydrophobicContact CD1-CG1 4.23Å; L225-I229 HydrophobicContact CG-CD1 3.91Å; L225-I229 HydrophobicContact CG-CG1 4.49Å; L225-I229 VanDerWaalsContact O-CG1 3.31Å; L225-I229 WeakPolarHBondContact O-CG1 3.42Å; L225-I229 PolarHBondContact O-N 3.12Å; Q226-I229 PolarHBondContact O-N 3.04Å; I229-S231 VanDerWaalsContact C-N 3.25Å; I229-S231 PolarHBondContact O-N 3.12Å; I229-Q232 WeakPolarHBondContact O-CA 3.04Å; I229-Q232 VanDerWaalsContact O-CB 3.31Å; I229-Q232 WeakPolarHBondContact O-CB 3.2Å; I229-Q232 PolarHBondContact O-N 3.14Å; I229-K233 HydrophobicContact CG2-CD 4.28Å; I229-K233 PolarHBondContact O-N 2.87Å
230D79.1Confident69.1Low65 Ų6561.7 Ų61.735%0.34832%0.324SS..Hα-helixtrans-62.4-35.6179.1-69.7-15.5000111.3Q226 Q232 K233 N234Q226-D230 PolarHBondContact NE2-OD1 2.8Å; Q226-D230 WeakPolarHBondContact O-CB 3.41Å; Q226-D230 PolarHBondContact O-N 3.47Å; D230-Q232 PolarHBondContact O-N 2.74Å; D230-K233 PolarHBondContact O-N 3.09Å; D230-K233 VanDerWaalsContact O-N 3.11Å; D230-N234 PolarHBondContact O-N 2.96Å
231S73.6Confident69.7Low11 Ų1165 Ų658%0.07733%0.333CS..Hα-helixtrans-61.7-28172.3-175.60000113.1V84 L227 M228 I229V84-S231 VanDerWaalsContact CG1-OG 3.28Å; V84-S231 WeakPolarHBondContact CG1-OG 3.31Å; L227-S231 PolarHBondContact O-N 3.29Å; M228-S231 WeakPolarHBondContact O-CB 3.12Å; M228-S231 PolarHBondContact O-N 3.23Å; I229-S231 VanDerWaalsContact C-N 3.25Å; I229-S231 PolarHBondContact O-N 3.12Å
232Q72.9Confident70.5Confident31 Ų3163 Ų6315%0.14533%0.325CS..Hα-helixtrans-74.9-35.3174.2-50.1-163.9-77.300111.8M228 I229 D230 R242 L243 D245 I248M228-Q232 WeakPolarHBondContact O-CG 3.42Å; M228-Q232 PolarHBondContact O-N 2.83Å; I229-Q232 WeakPolarHBondContact O-CA 3.04Å; I229-Q232 VanDerWaalsContact O-CB 3.31Å; I229-Q232 WeakPolarHBondContact O-CB 3.2Å; I229-Q232 PolarHBondContact O-N 3.14Å; D230-Q232 PolarHBondContact O-N 2.74Å; Q232-R242 WeakPolarHBondContact O-CD 3.31Å; Q232-R242 PolarHBondContact O-NH1 3.45Å; Q232-L243 WeakPolarHBondContact CG-O 3.48Å; Q232-L243 PolarHBondContact NE2-O 3.35Å; Q232-D245 PolarHBondContact NE2-OD1 3.36Å; Q232-D245 PolarHBondContact OE1-OD1 2.79Å; Q232-I248 HydrophobicContact CG-CD1 3.61Å; Q232-I248 VanDerWaalsContact OE1-CD1 3.29Å
233K70.3Confident71.5Confident115 Ų11560.9 Ų60.950%0.531%0.313SS..Hα-helixtrans-86.5-13.6-174.4-66-178.7-178.7177.20113.9I229 D230 N235I229-K233 HydrophobicContact CG2-CD 4.28Å; I229-K233 PolarHBondContact O-N 2.87Å; D230-K233 PolarHBondContact O-N 3.09Å; D230-K233 VanDerWaalsContact O-N 3.11Å; K233-N235 PolarHBondContact O-N 3.04Å; K233-N235 PolarHBondContact O-OD1 3.16Å
234N64.8Low72.2Confident84 Ų8463.2 Ų63.245%0.44933%0.329SS..  trans-68.1103.6-175.9-166-17.3000112.2D230 G236 L237 R242D230-N234 PolarHBondContact O-N 2.96Å; N234-G236 PolarHBondContact O-N 2.77Å; N234-G236 PolarHBondContact OD1-N 3.05Å; N234-L237 HydrophobicContact CB-CD1 4.08Å; N234-L237 HydrophobicContact CB-CG 4.47Å; N234-L237 PolarHBondContact O-N 3.43Å; N234-R242 PolarHBondContact O-NE 2.9Å; N234-R242 PolarHBondContact O-NH2 2.87Å; N234-R242 VanDerWaalsContact O-NH2 3.13Å
235N53.1Low72.6Confident143 Ų14367.3 Ų67.377%0.76535%0.351SS*.THydrogen-bonded Turntrans-67.1-15.8-177.5-75.1-20.6000114.5K233K233-N235 PolarHBondContact O-N 3.04Å; K233-N235 PolarHBondContact O-OD1 3.16Å
236G55.1Low72.9Confident73 Ų7369.8 Ų69.875%0.75336%0.363SS*.THydrogen-bonded Turntrans-85-12.6176.600000114.8N234N234-G236 PolarHBondContact O-N 2.77Å; N234-G236 PolarHBondContact OD1-N 3.05Å
237L57.4Low73.4Confident57 Ų5768.4 Ų68.430%0.29836%0.356SS..SBendtrans-88130.7174-72.8169.5000109.8N234 K241 R242N234-L237 HydrophobicContact CB-CD1 4.08Å; N234-L237 HydrophobicContact CB-CG 4.47Å; N234-L237 PolarHBondContact O-N 3.43Å; L237-K241 HydrophobicContact CB-CB 4.3Å; L237-K241 HydrophobicContact CD2-CB 4.08Å; L237-K241 HydrophobicContact CD2-CD 4.18Å; L237-R242 HydrophobicContact CB-CG 4.44Å; L237-R242 PolarHBondContact O-NE 3.46Å; L237-R242 PolarHBondContact O-NH2 2.86Å
238Q58.3Low74Confident136 Ų13666.7 Ų66.764%0.63635%0.347SS*.  trans-48.2141.6165.1-73.5178.6-7.800109.1D240 K241Q238-D240 PolarHBondContact O-N 3.5Å; Q238-K241 PolarHBondContact O-N 3.14Å
239K58.8Low74.4Confident174 Ų17467.6 Ų67.676%0.75735%0.352SS*.G310 helixtrans-48.8-37-177.7-88.6-175.6174.1-179.40112.2K241 R242K239-K241 PolarHBondContact O-N 3.48Å; K239-K241 VanDerWaalsContact O-N 3.15Å; K239-R242 PolarHBondContact O-N 3.18Å
240D60.9Low74.8Confident123 Ų12367.5 Ų67.566%0.65835%0.351SS*.G310 helixtrans-70.4-7.7-178.6-51.7-28.5000114.2R80 Q238R80-D240 WeakPolarHBondContact CD-O 3.45Å; R80-D240 PolarHBondContact NH1-O 2.9Å; Q238-D240 PolarHBondContact O-N 3.5Å
241K68.8Low75.4Confident114 Ų11464.4 Ų64.450%0.49634%0.335SS..G310 helixtrans-100.8-0.7176.3-66.1-168.6179.2-1770114L237 Q238 K239L237-K241 HydrophobicContact CB-CB 4.3Å; L237-K241 HydrophobicContact CD2-CB 4.08Å; L237-K241 HydrophobicContact CD2-CD 4.18Å; Q238-K241 PolarHBondContact O-N 3.14Å; K239-K241 PolarHBondContact O-N 3.48Å; K239-K241 VanDerWaalsContact O-N 3.15Å
242R80.8Confident76.3Confident60 Ų6063.9 Ų63.923%0.22633%0.331CS..SBendtrans-90.1151.8-179.3-57.8179.9-177.5-165.57.6111R80 Q232 N234 L237 K239R80-R242 PolarHBondContact NH1-O 3.38Å; Q232-R242 WeakPolarHBondContact O-CD 3.31Å; Q232-R242 PolarHBondContact O-NH1 3.45Å; N234-R242 PolarHBondContact O-NE 2.9Å; N234-R242 PolarHBondContact O-NH2 2.87Å; N234-R242 VanDerWaalsContact O-NH2 3.13Å; L237-R242 HydrophobicContact CB-CG 4.44Å; L237-R242 PolarHBondContact O-NE 3.46Å; L237-R242 PolarHBondContact O-NH2 2.86Å; K239-R242 PolarHBondContact O-N 3.18Å
243L85.4Confident77.1Confident5 Ų562.5 Ų62.53%0.02633%0.325CS..PPolyproline II helixtrans-77.9136.4170.9-64.6177.1000110.1I81 V84 M228 Q232 E247 I248I81-L243 HydrophobicContact CB-CD2 4.47Å; I81-L243 HydrophobicContact CG1-CD2 3.93Å; I81-L243 HydrophobicContact CG2-CD2 4.42Å; V84-L243 HydrophobicContact CG1-CD1 3.7Å; V84-L243 HydrophobicContact CG1-CG 4.02Å; M228-L243 HydrophobicContact CB-CD1 4.17Å; M228-L243 HydrophobicContact CG-CD1 3.96Å; Q232-L243 WeakPolarHBondContact CG-O 3.48Å; Q232-L243 PolarHBondContact NE2-O 3.35Å; L243-E247 HydrophobicContact CB-CB 4.48Å; L243-E247 HydrophobicContact CD2-CB 4.35Å; L243-I248 HydrophobicContact CB-CD1 4.49Å; L243-I248 HydrophobicContact CB-CG1 3.97Å; L243-I248 HydrophobicContact CD1-CG1 4.3Å
244S89.3Confident78.1Confident51 Ų5158 Ų5836%0.35731%0.306SS..PPolyproline II helixtrans-75.9163.2168.478.80000111.6H246 E247 I248S244-H246 VanDerWaalsContact C-N 3.27Å; S244-H246 PolarHBondContact O-N 2.85Å; S244-E247 PolarHBondContact N-OE2 2.86Å; S244-E247 PolarHBondContact O-N 2.94Å; S244-E247 VanDerWaalsContact O-N 3.14Å; S244-E247 WeakPolarHBondContact OG-CG 3.39Å; S244-E247 PolarHBondContact OG-N 2.78Å; S244-I248 WeakPolarHBondContact O-CG1 3.32Å; S244-I248 PolarHBondContact O-N 3.48Å
245D87.7Confident79.4Confident92 Ų9254.9 Ų54.949%0.49229%0.289SS..Hα-helixtrans-58.4-43.7176.7-7615.4000111.7K210 Q232 I248 L249K210-D245 IonicContact NZ-OD1 3.01Å; K210-D245 PolarHBondContact NZ-OD1 3.2Å; K210-D245 IonicContact NZ-OD2 2.62Å; K210-D245 PolarHBondContact NZ-OD2 3.38Å; Q232-D245 PolarHBondContact NE2-OD1 3.36Å; Q232-D245 PolarHBondContact OE1-OD1 2.79Å; D245-I248 PolarHBondContact O-N 3.47Å; D245-L249 WeakPolarHBondContact O-CG 3.36Å; D245-L249 PolarHBondContact O-N 3.26Å; D245-L249 VanDerWaalsContact O-N 3.16Å
246H90.7Very high81.2Confident56 Ų5648.1 Ų48.126%0.25925%0.252SS..Hα-helixtrans-61.1-45.2175.1-176.9-85.3000111.3A65 Y67 D68 Y203 S244 I248 L249 S250A65-H246 PolarHBondContact O-CE1 3.32Å; A65-H246 PolarHBondContact O-NE2 3.36Å; Y67-H246 AromaticContact CD1-CE1 3.99Å; Y67-H246 AromaticContact CE1-CE1 3.29Å; Y67-H246 WeakPolarHBondContact CE1-CE1 3.28Å; Y67-H246 AromaticContact CE1-ND1 3.98Å; Y67-H246 AromaticContact CE1-NE2 3.89Å; Y67-H246 AromaticContact CZ-CE1 3.85Å; D68-H246 IonicContact OD1-CE1 3.12Å; D68-H246 PolarHBondContact OD1-CE1 2.93Å; D68-H246 IonicContact OD1-ND1 2.93Å; D68-H246 PolarHBondContact OD1-ND1 3.39Å; D68-H246 IonicContact OD2-CE1 3.74Å; D68-H246 PolarHBondContact OD2-CE1 3.14Å; D68-H246 IonicContact OD2-CG 3.04Å; D68-H246 IonicContact OD2-ND1 2.68Å; D68-H246 PolarHBondContact OD2-ND1 3.04Å; Y203-H246 AromaticContact CE1-CD2 3.9Å; Y203-H246 AromaticContact CE1-NE2 3.77Å; S244-H246 VanDerWaalsContact C-N 3.27Å; S244-H246 PolarHBondContact O-N 2.85Å; H246-I248 VanDerWaalsContact C-N 3.28Å; H246-I248 PolarHBondContact O-N 3.45Å; H246-L249 PolarHBondContact O-N 3.33Å; H246-L249 VanDerWaalsContact O-N 3.11Å; H246-S250 PolarHBondContact CE1-OG 3.27Å; H246-S250 PolarHBondContact O-N 3.09Å; H246-S250 PolarHBondContact O-OG 3.22Å
247E91.2Very high82.9Confident7 Ų746.4 Ų46.43%0.03322%0.224CC..Hα-helixtrans-60-38.7178.2-76.8176.7134.100111.9D68 Q77 R80 L243 S244 S250 Q251D68-E247 HydrophobicContact CB-CG 4.08Å; D68-E247 WeakPolarHBondContact OD2-CG 3.47Å; Q77-E247 PolarHBondContact NE2-OE1 2.62Å; R80-E247 IonicContact CZ-OE1 2.87Å; R80-E247 IonicContact CZ-OE2 2.75Å; R80-E247 IonicContact NH2-OE1 3.78Å; R80-E247 PolarHBondContact NH2-OE1 3.46Å; R80-E247 IonicContact NH2-OE2 3.93Å; R80-E247 PolarHBondContact NH2-OE2 2.79Å; L243-E247 HydrophobicContact CB-CB 4.48Å; L243-E247 HydrophobicContact CD2-CB 4.35Å; S244-E247 PolarHBondContact N-OE2 2.86Å; S244-E247 PolarHBondContact O-N 2.94Å; S244-E247 VanDerWaalsContact O-N 3.14Å; S244-E247 WeakPolarHBondContact OG-CG 3.39Å; S244-E247 PolarHBondContact OG-N 2.78Å; E247-S250 PolarHBondContact O-N 2.71Å; E247-Q251 WeakPolarHBondContact O-CB 3.49Å; E247-Q251 WeakPolarHBondContact O-CG 3.5Å; E247-Q251 PolarHBondContact O-N 3.48Å; E247-Q251 PolarHBondContact O-NE2 2.81Å; E247-Q251 VanDerWaalsContact O-NE2 3.07Å
248I90.4Very high84.5Confident1 Ų145.6 Ų45.61%0.00523%0.226CC..Hα-helixtrans-61.9-44.9175.7-66.4-177.5000111.1L225 M228 Q232 L243 S244 D245 H246 Q251 S252L225-I248 HydrophobicContact CD1-CG2 3.74Å; M228-I248 HydrophobicContact CB-CD1 4.07Å; M228-I248 HydrophobicContact CB-CG1 4.01Å; M228-I248 HydrophobicContact CB-CG2 4.16Å; M228-I248 HydrophobicContact CE-CG2 4.17Å; M228-I248 HydrophobicContact SD-CG2 4.23Å; Q232-I248 HydrophobicContact CG-CD1 3.61Å; Q232-I248 VanDerWaalsContact OE1-CD1 3.29Å; L243-I248 HydrophobicContact CB-CD1 4.49Å; L243-I248 HydrophobicContact CB-CG1 3.97Å; L243-I248 HydrophobicContact CD1-CG1 4.3Å; S244-I248 WeakPolarHBondContact O-CG1 3.32Å; S244-I248 PolarHBondContact O-N 3.48Å; D245-I248 PolarHBondContact O-N 3.47Å; H246-I248 VanDerWaalsContact C-N 3.28Å; H246-I248 PolarHBondContact O-N 3.45Å; I248-Q251 PolarHBondContact O-N 3.11Å; I248-S252 VanDerWaalsContact O-CB 3.29Å; I248-S252 WeakPolarHBondContact O-CB 3.32Å; I248-S252 PolarHBondContact O-N 3.07Å; I248-S252 PolarHBondContact O-OG 2.93Å
249L90.6Very high86Confident19 Ų1939.7 Ų39.710%0.09920%0.202CC..Hα-helixtrans-63.3-44.8177.5-62175.5000111Y203 L206 E207 D245 H246 Q251 S252 M253Y203-L249 HydrophobicContact CD1-CB 4.07Å; Y203-L249 HydrophobicContact CD1-CD1 3.86Å; Y203-L249 HydrophobicContact CD2-CB 4.38Å; Y203-L249 HydrophobicContact CE1-CB 3.97Å; Y203-L249 HydrophobicContact CE1-CD1 4.36Å; Y203-L249 HydrophobicContact CE2-CB 4.28Å; Y203-L249 HydrophobicContact CG-CB 4.27Å; Y203-L249 HydrophobicContact CG-CD1 4.31Å; L206-L249 HydrophobicContact CB-CD2 3.46Å; L206-L249 VanDerWaalsContact CB-CD2 3.46Å; E207-L249 HydrophobicContact CB-CD2 4.34Å; D245-L249 WeakPolarHBondContact O-CG 3.36Å; D245-L249 PolarHBondContact O-N 3.26Å; D245-L249 VanDerWaalsContact O-N 3.16Å; H246-L249 PolarHBondContact O-N 3.33Å; H246-L249 VanDerWaalsContact O-N 3.11Å; L249-Q251 PolarHBondContact O-N 3.24Å; L249-S252 WeakPolarHBondContact O-CB 3.49Å; L249-S252 PolarHBondContact O-N 3.44Å; L249-M253 PolarHBondContact O-N 3.14Å
250S91.8Very high87.6Confident0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-60-44176.1-60.80000112.7A65 D68 Y203 H246 E247 S252 I254A65-S250 PolarHBondContact O-OG 3.47Å; D68-S250 WeakPolarHBondContact OD1-CB 3.49Å; D68-S250 PolarHBondContact OD1-OG 2.7Å; Y203-S250 PolarHBondContact OH-OG 3.12Å; H246-S250 PolarHBondContact CE1-OG 3.27Å; H246-S250 PolarHBondContact O-N 3.09Å; H246-S250 PolarHBondContact O-OG 3.22Å; E247-S250 PolarHBondContact O-N 2.71Å; S250-S252 VanDerWaalsContact C-N 3.34Å; S250-I254 WeakPolarHBondContact O-CG2 3.25Å; S250-I254 PolarHBondContact O-N 2.87Å; S250-I254 VanDerWaalsContact O-N 3.11Å
251Q92.8Very high89Confident0 Ų026.4 Ų26.40%014%0.138CC..Hα-helixtrans-65.3-40176.9-64-20.2-6200111.9D68 I81 L85 M228 E247 I248 L249 I254 F255D68-Q251 PolarHBondContact O-NE2 3.43Å; I81-Q251 HydrophobicContact CG2-CG 4.18Å; L85-Q251 HydrophobicContact CD1-CG 4Å; M228-Q251 HydrophobicContact SD-CB 3.65Å; M228-Q251 HydrophobicContact SD-CG 4.27Å; E247-Q251 WeakPolarHBondContact O-CB 3.49Å; E247-Q251 WeakPolarHBondContact O-CG 3.5Å; E247-Q251 PolarHBondContact O-N 3.48Å; E247-Q251 PolarHBondContact O-NE2 2.81Å; E247-Q251 VanDerWaalsContact O-NE2 3.07Å; I248-Q251 PolarHBondContact O-N 3.11Å; L249-Q251 PolarHBondContact O-N 3.24Å; Q251-I254 VanDerWaalsContact O-CG2 3.25Å; Q251-I254 WeakPolarHBondContact O-CG2 3.39Å; Q251-F255 WeakPolarHBondContact O-CB 3.43Å; Q251-F255 WeakPolarHBondContact O-CG 3.32Å; Q251-F255 PolarHBondContact O-N 3.03Å
252S91.3Very high90.1Very high1 Ų123.1 Ų23.11%0.00713%0.128CC..Hα-helixtrans-64-48.7-179.7-61.10000110.7F141 L206 M228 I248 L249 S250 I254 F255 I256F141-S252 VanDerWaalsContact CE1-OG 3.3Å; F141-S252 WeakPolarHBondContact CE1-OG 3.4Å; L206-S252 VanDerWaalsContact CD1-CB 3.48Å; M228-S252 WeakPolarHBondContact CE-OG 3.4Å; I248-S252 VanDerWaalsContact O-CB 3.29Å; I248-S252 WeakPolarHBondContact O-CB 3.32Å; I248-S252 PolarHBondContact O-N 3.07Å; I248-S252 PolarHBondContact O-OG 2.93Å; L249-S252 WeakPolarHBondContact O-CB 3.49Å; L249-S252 PolarHBondContact O-N 3.44Å; S250-S252 VanDerWaalsContact C-N 3.34Å; S252-I254 PolarHBondContact O-N 3.07Å; S252-F255 PolarHBondContact O-N 2.94Å; S252-I256 WeakPolarHBondContact O-CG1 3.49Å; S252-I256 PolarHBondContact O-N 3.5Å; S252-I256 VanDerWaalsContact O-N 3.09Å
253M90.3Very high90.8Very high2 Ų220.5 Ų20.51%0.0112%0.118CC..Hα-helixtrans-62.5-43.6178.6-175.3173.8175.700112.3L66 M162 V198 T199 F202 Y203 L206 L249 F255 I256 F257L66-M253 HydrophobicContact CD1-CE 4.14Å; L66-M253 HydrophobicContact CD1-CG 4.46Å; L66-M253 HydrophobicContact CD1-SD 4.03Å; L66-M253 HydrophobicContact CD2-CB 4.04Å; L66-M253 HydrophobicContact CD2-CG 4.19Å; L66-M253 HydrophobicContact CD2-SD 3.88Å; L66-M253 HydrophobicContact CG-SD 4.24Å; M162-M253 HydrophobicContact CE-CE 4.38Å; M162-M253 HydrophobicContact SD-CE 3.79Å; V198-M253 HydrophobicContact CG1-CE 4.03Å; T199-M253 HydrophobicContact CG2-CE 3.87Å; T199-M253 HydrophobicContact CG2-SD 4.18Å; F202-M253 HydrophobicContact CB-CG 4.19Å; F202-M253 HydrophobicContact CB-SD 3.97Å; F202-M253 HydrophobicContact CD2-CE 3.91Å; F202-M253 HydrophobicContact CD2-CG 4.45Å; F202-M253 HydrophobicContact CD2-SD 4.38Å; F202-M253 HydrophobicContact CG-CG 4.27Å; F202-M253 HydrophobicContact CG-SD 4.41Å; Y203-M253 HydrophobicContact CD2-SD 4.28Å; Y203-M253 HydrophobicContact CE2-CB 4.49Å; Y203-M253 HydrophobicContact CE2-SD 3.94Å; L206-M253 HydrophobicContact CD1-CB 4.4Å; L249-M253 PolarHBondContact O-N 3.14Å; M253-F255 VanDerWaalsContact C-N 3.32Å; M253-F255 PolarHBondContact O-N 3.07Å; M253-I256 PolarHBondContact O-N 3.31Å; M253-F257 PolarHBondContact O-N 3.39Å
254I90.4Very high91.3Very high20 Ų2020.2 Ų20.210%0.10312%0.117CC..Hα-helixtrans-67.8-31.7179.4-164.862.2000112.4F71 S250 Q251 S252 F257 A258F71-I254 HydrophobicContact CB-CD1 4.28Å; F71-I254 HydrophobicContact CB-CG1 4.11Å; S250-I254 WeakPolarHBondContact O-CG2 3.25Å; S250-I254 PolarHBondContact O-N 2.87Å; S250-I254 VanDerWaalsContact O-N 3.11Å; Q251-I254 VanDerWaalsContact O-CG2 3.25Å; Q251-I254 WeakPolarHBondContact O-CG2 3.39Å; S252-I254 PolarHBondContact O-N 3.07Å; I254-F257 HydrophobicContact CD1-CD1 4.28Å; I254-F257 PolarHBondContact O-N 2.84Å; I254-A258 VanDerWaalsContact O-CB 3.28Å; I254-A258 WeakPolarHBondContact O-CB 3.29Å; I254-A258 PolarHBondContact O-N 2.83Å
255F92.4Very high91.5Very high19 Ų1918.1 Ų18.18%0.08310%0.102CC..Hα-helixtrans-69.4-39.9174.3-76.3-8.5000112.7L70 L85 F89 F224 Q251 S252 M253 F257 G259 I397L70-F255 HydrophobicContact CD2-CE1 4.36Å; L85-F255 HydrophobicContact CB-CZ 4.45Å; L85-F255 HydrophobicContact CD1-CE2 4.47Å; L85-F255 HydrophobicContact CD1-CZ 3.86Å; L85-F255 HydrophobicContact CD2-CE2 4.3Å; L85-F255 HydrophobicContact CD2-CZ 4.44Å; L85-F255 HydrophobicContact CG-CZ 4.48Å; F89-F255 HydrophobicContact CE2-CE1 4.37Å; F89-F255 AromaticContact CE2-CE2 3.95Å; F89-F255 HydrophobicContact CE2-CE2 3.95Å; F89-F255 AromaticContact CE2-CZ 3.64Å; F89-F255 HydrophobicContact CE2-CZ 3.64Å; F89-F255 HydrophobicContact CZ-CD2 4.45Å; F89-F255 HydrophobicContact CZ-CE1 4.21Å; F89-F255 AromaticContact CZ-CE2 3.93Å; F89-F255 HydrophobicContact CZ-CE2 3.93Å; F89-F255 AromaticContact CZ-CZ 3.78Å; F89-F255 HydrophobicContact CZ-CZ 3.78Å; F224-F255 HydrophobicContact CD1-CE2 4.34Å; Q251-F255 WeakPolarHBondContact O-CB 3.43Å; Q251-F255 WeakPolarHBondContact O-CG 3.32Å; Q251-F255 PolarHBondContact O-N 3.03Å; S252-F255 PolarHBondContact O-N 2.94Å; M253-F255 VanDerWaalsContact C-N 3.32Å; M253-F255 PolarHBondContact O-N 3.07Å; F255-F257 VanDerWaalsContact C-N 3.34Å; F255-G259 PolarHBondContact O-N 2.98Å; F255-I397 HydrophobicContact CE1-CG2 4.02Å; F255-I397 HydrophobicContact CZ-CG2 4.36Å
256I91.2Very high92Very high0 Ų014.2 Ų14.20%08%0.082CC..Hα-helixtrans-60.2-47.8173.3-60.6170000109.6M133 V136 T137 F141 I159 F202 L206 S252 M253 G259 Y260M133-I256 HydrophobicContact CE-CG2 3.9Å; M133-I256 HydrophobicContact SD-CG2 3.55Å; M133-I256 VanDerWaalsContact SD-CG2 3.55Å; V136-I256 HydrophobicContact CG1-CG2 4.32Å; T137-I256 HydrophobicContact CG2-CG2 4.5Å; F141-I256 HydrophobicContact CD2-CD1 4.25Å; F141-I256 HydrophobicContact CD2-CG1 4.24Å; F141-I256 HydrophobicContact CE2-CD1 3.71Å; F141-I256 HydrophobicContact CE2-CG1 3.4Å; F141-I256 HydrophobicContact CZ-CD1 4.33Å; F141-I256 HydrophobicContact CZ-CG1 4.09Å; I159-I256 HydrophobicContact CD1-CB 4.3Å; I159-I256 HydrophobicContact CD1-CG2 3.45Å; I159-I256 VanDerWaalsContact CD1-CG2 3.45Å; F202-I256 HydrophobicContact CD1-CD1 4.02Å; F202-I256 HydrophobicContact CE1-CD1 3.95Å; F202-I256 HydrophobicContact CE1-CG2 4.17Å; L206-I256 HydrophobicContact CD2-CD1 4.43Å; S252-I256 WeakPolarHBondContact O-CG1 3.49Å; S252-I256 PolarHBondContact O-N 3.5Å; S252-I256 VanDerWaalsContact O-N 3.09Å; M253-I256 PolarHBondContact O-N 3.31Å; I256-G259 PolarHBondContact O-N 3.26Å; I256-Y260 WeakPolarHBondContact O-CB 3.41Å; I256-Y260 PolarHBondContact O-N 2.91Å
257F90.4Very high92.3Very high37 Ų3711.6 Ų11.616%0.1627%0.07CC..Hα-helixtrans-59.6-52.5178.5177.5-96.3000112.7I159 M162 L163 M253 I254 F255 G259 Y260 E261I159-F257 HydrophobicContact CD1-CB 4.45Å; I159-F257 HydrophobicContact CG1-CD2 4.36Å; M162-F257 HydrophobicContact CB-CD2 4.45Å; M162-F257 HydrophobicContact CE-CB 3.86Å; M162-F257 HydrophobicContact CE-CD1 4.21Å; M162-F257 HydrophobicContact CE-CD2 3.44Å; M162-F257 VanDerWaalsContact CE-CD2 3.44Å; M162-F257 HydrophobicContact CE-CE2 3.97Å; M162-F257 HydrophobicContact CE-CG 3.56Å; M162-F257 HydrophobicContact CG-CD2 3.98Å; M162-F257 HydrophobicContact CG-CE2 4.08Å; M162-F257 HydrophobicContact SD-CB 4.09Å; M162-F257 HydrophobicContact SD-CD2 3.41Å; M162-F257 WeakPolarHBondContact SD-CD2 3.26Å; M162-F257 HydrophobicContact SD-CE2 4.1Å; M162-F257 HydrophobicContact SD-CG 3.99Å; L163-F257 HydrophobicContact CD2-CD2 4.34Å; L163-F257 HydrophobicContact CD2-CE2 3.36Å; L163-F257 HydrophobicContact CD2-CZ 3.73Å; L163-F257 HydrophobicContact CG-CE2 3.97Å; M253-F257 PolarHBondContact O-N 3.39Å; I254-F257 HydrophobicContact CD1-CD1 4.28Å; I254-F257 PolarHBondContact O-N 2.84Å; F255-F257 VanDerWaalsContact C-N 3.34Å; F257-G259 PolarHBondContact O-N 3.38Å; F257-Y260 PolarHBondContact O-N 3.32Å; F257-E261 PolarHBondContact O-N 2.98Å; F257-E261 VanDerWaalsContact O-N 3.07Å
258A91.2Very high92.6Very high41 Ų4111.6 Ų11.634%0.3397%0.071SC..Hα-helixtrans-63.7-42-178.400000111.7I254 T262I254-A258 VanDerWaalsContact O-CB 3.28Å; I254-A258 WeakPolarHBondContact O-CB 3.29Å; I254-A258 PolarHBondContact O-N 2.83Å; A258-T262 PolarHBondContact O-N 3.42Å; A258-T262 PolarHBondContact O-OG1 3.23Å
259G89.9Confident92.9Very high12 Ų1211.8 Ų11.812%0.1247%0.071CC..Hα-helixtrans-66.8-40.8179.300000113F255 I256 F257 S263F255-G259 PolarHBondContact O-N 2.98Å; I256-G259 PolarHBondContact O-N 3.26Å; F257-G259 PolarHBondContact O-N 3.38Å; G259-S263 WeakPolarHBondContact O-CB 3.42Å; G259-S263 PolarHBondContact O-OG 3.3Å
260Y91.6Very high93.3Very high4 Ų410.9 Ų10.92%0.0167%0.067CC..Hα-helixtrans-68.7-62179.5176.2-99.2000112.4G129 M133 I159 K160 L163 I256 F257 S264G129-Y260 WeakPolarHBondContact O-CD2 3.48Å; G129-Y260 WeakPolarHBondContact O-CE2 3.41Å; M133-Y260 HydrophobicContact CB-CD2 3.79Å; M133-Y260 HydrophobicContact CB-CE2 4.19Å; M133-Y260 HydrophobicContact CE-CD2 3.51Å; M133-Y260 HydrophobicContact CE-CE2 4.04Å; M133-Y260 HydrophobicContact CE-CG 3.86Å; I159-Y260 HydrophobicContact CD1-CD1 4.36Å; I159-Y260 HydrophobicContact CD1-CG 4.22Å; I159-Y260 HydrophobicContact CG1-CD1 4.32Å; I159-Y260 HydrophobicContact CG2-CD1 3.49Å; I159-Y260 VanDerWaalsContact CG2-CD1 3.49Å; I159-Y260 HydrophobicContact CG2-CD2 4.15Å; I159-Y260 HydrophobicContact CG2-CE1 3.42Å; I159-Y260 VanDerWaalsContact CG2-CE1 3.42Å; I159-Y260 HydrophobicContact CG2-CE2 4.05Å; I159-Y260 HydrophobicContact CG2-CG 3.87Å; K160-Y260 WeakPolarHBondContact CE-OH 3.2Å; L163-Y260 HydrophobicContact CD1-CD1 4.14Å; L163-Y260 HydrophobicContact CD1-CE1 3.81Å; I256-Y260 WeakPolarHBondContact O-CB 3.41Å; I256-Y260 PolarHBondContact O-N 2.91Å; F257-Y260 PolarHBondContact O-N 3.32Å; Y260-S264 VanDerWaalsContact O-CB 3.24Å; Y260-S264 WeakPolarHBondContact O-CB 3.15Å; Y260-S264 PolarHBondContact O-N 3.24Å; Y260-S264 PolarHBondContact O-OG 3.16Å
261E90.8Very high93.6Very high13 Ų1311 Ų116%0.0617%0.067CC..Hα-helixtrans-73.4-48-165177.857.5-151.700111.9K125 L163 F257 S264 S265 L436K125-E261 WeakPolarHBondContact CE-OE2 3.46Å; K125-E261 PolarHBondContact NZ-O 3.46Å; K125-E261 IonicContact NZ-OE1 2.71Å; K125-E261 PolarHBondContact NZ-OE1 2.83Å; K125-E261 IonicContact NZ-OE2 3.6Å; K125-E261 PolarHBondContact NZ-OE2 3.32Å; L163-E261 HydrophobicContact CD1-CB 4.32Å; L163-E261 HydrophobicContact CD1-CG 4.27Å; L163-E261 WeakPolarHBondContact CD1-OE2 3.24Å; L163-E261 HydrophobicContact CD2-CB 3.74Å; L163-E261 HydrophobicContact CD2-CG 3.36Å; L163-E261 HydrophobicContact CG-CG 4.46Å; F257-E261 PolarHBondContact O-N 2.98Å; F257-E261 VanDerWaalsContact O-N 3.07Å; E261-S264 PolarHBondContact O-OG 3.37Å; E261-S264 VanDerWaalsContact O-OG 3.1Å; E261-S265 WeakPolarHBondContact O-CB 3.41Å; E261-S265 PolarHBondContact O-N 2.95Å; E261-S265 PolarHBondContact O-OG 3.23Å; E261-S265 PolarHBondContact OE1-OG 3.24Å; E261-L436 HydrophobicContact CG-CD1 3.82Å
262T93.2Very high93.9Very high46 Ų4611.7 Ų11.728%0.2827%0.07SC..Hα-helixtrans-70.5-41.3-172.168.60000112A258 S266 I322 L436A258-T262 PolarHBondContact O-N 3.42Å; A258-T262 PolarHBondContact O-OG1 3.23Å; T262-S266 VanDerWaalsContact O-CB 3.3Å; T262-S266 WeakPolarHBondContact O-CB 3.26Å; T262-S266 PolarHBondContact O-N 2.75Å; T262-S266 PolarHBondContact O-OG 3.03Å; T262-I322 HydrophobicContact CG2-CG2 4.09Å; T262-L436 HydrophobicContact CG2-CD1 4.35Å
263S94.8Very high94.2Very high4 Ų412 Ų123%0.0287%0.071CC..Hα-helixtrans-67.3-44.9178.8-46.80000111.2G259 S266 L267G259-S263 WeakPolarHBondContact O-CB 3.42Å; G259-S263 PolarHBondContact O-OG 3.3Å; S263-S266 PolarHBondContact O-N 2.84Å; S263-L267 WeakPolarHBondContact O-CB 3.43Å; S263-L267 WeakPolarHBondContact O-CG 3.36Å; S263-L267 PolarHBondContact O-N 3.4Å
264S94.6Very high94.5Very high0 Ų011.9 Ų11.90%07%0.071CC..Hα-helixtrans-67-40.5-179.260.10000112.8K125 F128 S132 Y260 E261 T268K125-S264 PolarHBondContact NZ-OG 3.41Å; F128-S264 VanDerWaalsContact C-CB 3.47Å; F128-S264 WeakPolarHBondContact O-CB 3.18Å; S132-S264 PolarHBondContact OG-N 3.04Å; Y260-S264 VanDerWaalsContact O-CB 3.24Å; Y260-S264 WeakPolarHBondContact O-CB 3.15Å; Y260-S264 PolarHBondContact O-N 3.24Å; Y260-S264 PolarHBondContact O-OG 3.16Å; E261-S264 PolarHBondContact O-OG 3.37Å; E261-S264 VanDerWaalsContact O-OG 3.1Å; S264-T268 WeakPolarHBondContact O-CB 3.48Å; S264-T268 PolarHBondContact O-N 3.49Å; S264-T268 PolarHBondContact O-OG1 3.41Å
265S95Very high94.9Very high6 Ų611.2 Ų11.24%0.0427%0.068CC..Hα-helixtrans-66.5-41.7174.3-67.10000111.7K125 E261 L267 T268 F269K125-S265 PolarHBondContact NZ-OG 2.92Å; E261-S265 WeakPolarHBondContact O-CB 3.41Å; E261-S265 PolarHBondContact O-N 2.95Å; E261-S265 PolarHBondContact O-OG 3.23Å; E261-S265 PolarHBondContact OE1-OG 3.24Å; S265-L267 PolarHBondContact O-N 3.02Å; S265-T268 WeakPolarHBondContact O-CB 3.49Å; S265-T268 PolarHBondContact O-N 3.47Å; S265-F269 WeakPolarHBondContact O-CD2 3.44Å; S265-F269 PolarHBondContact O-N 2.88Å
266S97.1Very high95.1Very high11 Ų1112.2 Ų12.28%0.0778%0.076CC..Hα-helixtrans-63.6-42177.3-56.80000112.3T262 S263 T268 L270 I322T262-S266 VanDerWaalsContact O-CB 3.3Å; T262-S266 WeakPolarHBondContact O-CB 3.26Å; T262-S266 PolarHBondContact O-N 2.75Å; T262-S266 PolarHBondContact O-OG 3.03Å; S263-S266 PolarHBondContact O-N 2.84Å; S266-T268 VanDerWaalsContact C-N 3.35Å; S266-L270 VanDerWaalsContact O-CB 3.27Å; S266-L270 WeakPolarHBondContact O-CB 3.22Å; S266-L270 PolarHBondContact O-N 2.84Å; S266-I322 VanDerWaalsContact OG-CG1 3.27Å; S266-I322 WeakPolarHBondContact OG-CG1 3.23Å
267L97.8Very high95.4Very high1 Ų114.6 Ų14.61%0.0059%0.089CC..Hα-helixtrans-63-40.5173.6-81.4170.4000112.3F128 Y131 S263 S265 L270 A271 M406 A409 V410F128-L267 HydrophobicContact CB-CB 4.12Å; F128-L267 HydrophobicContact CB-CD1 4.26Å; F128-L267 HydrophobicContact CD1-CB 4.01Å; F128-L267 HydrophobicContact CD1-CD1 3.85Å; F128-L267 HydrophobicContact CD1-CG 4.43Å; F128-L267 HydrophobicContact CD2-CB 3.68Å; F128-L267 HydrophobicContact CE1-CB 4.3Å; F128-L267 HydrophobicContact CE1-CD1 4.41Å; F128-L267 HydrophobicContact CE2-CB 4Å; F128-L267 HydrophobicContact CG-CB 3.69Å; F128-L267 HydrophobicContact CG-CD1 4.13Å; F128-L267 HydrophobicContact CZ-CB 4.3Å; Y131-L267 HydrophobicContact CD1-CD1 4.17Å; Y131-L267 HydrophobicContact CE1-CD1 4.27Å; S263-L267 WeakPolarHBondContact O-CB 3.43Å; S263-L267 WeakPolarHBondContact O-CG 3.36Å; S263-L267 PolarHBondContact O-N 3.4Å; S265-L267 PolarHBondContact O-N 3.02Å; L267-L270 PolarHBondContact O-N 3.32Å; L267-A271 WeakPolarHBondContact O-CB 3.22Å; L267-A271 PolarHBondContact O-N 2.79Å; L267-M406 HydrophobicContact CD2-CB 4.21Å; L267-M406 HydrophobicContact CD2-CG 4.25Å; L267-M406 HydrophobicContact CG-CG 4.11Å; L267-A409 HydrophobicContact CD1-CB 4.15Å; L267-A409 HydrophobicContact CD2-CB 4.04Å; L267-V410 HydrophobicContact CD2-CG2 3.72Å
268T97.3Very high95.7Very high7 Ų716.5 Ų16.54%0.04311%0.105CC..Hα-helixtrans-61.6-49.7177.7-58.80000110.9L124 S264 S265 S266 L270 A271 Y272 I443L124-T268 HydrophobicContact CB-CG2 4.05Å; L124-T268 HydrophobicContact CD1-CG2 4.37Å; S264-T268 WeakPolarHBondContact O-CB 3.48Å; S264-T268 PolarHBondContact O-N 3.49Å; S264-T268 PolarHBondContact O-OG1 3.41Å; S265-T268 WeakPolarHBondContact O-CB 3.49Å; S265-T268 PolarHBondContact O-N 3.47Å; S266-T268 VanDerWaalsContact C-N 3.35Å; T268-L270 VanDerWaalsContact C-N 3.34Å; T268-L270 PolarHBondContact O-N 2.78Å; T268-A271 PolarHBondContact O-N 2.76Å; T268-Y272 PolarHBondContact O-N 2.86Å; T268-I443 HydrophobicContact CG2-CB 3.8Å; T268-I443 HydrophobicContact CG2-CD1 3.77Å; T268-I443 HydrophobicContact CG2-CG1 4.21Å; T268-I443 HydrophobicContact CG2-CG2 4.4Å
269F97.7Very high96Very high4 Ų420.5 Ų20.52%0.01812%0.117CC..Hα-helixtrans-65.1-37.1177.6-67.6-47.2000112.7S265 Y272 N273 F320 I322 F429 M431 A439 I443S265-F269 WeakPolarHBondContact O-CD2 3.44Å; S265-F269 PolarHBondContact O-N 2.88Å; F269-Y272 WeakPolarHBondContact O-CB 3.47Å; F269-Y272 PolarHBondContact O-N 3.41Å; F269-N273 WeakPolarHBondContact O-CB 3.33Å; F269-N273 VanDerWaalsContact O-CG 3.32Å; F269-N273 PolarHBondContact O-N 2.93Å; F269-N273 PolarHBondContact O-ND2 3Å; F269-F320 HydrophobicContact CB-CB 4.05Å; F269-F320 HydrophobicContact CB-CD2 3.8Å; F269-F320 HydrophobicContact CB-CG 4.04Å; F269-F320 HydrophobicContact CD1-CD1 4.3Å; F269-F320 HydrophobicContact CD1-CD2 4.38Å; F269-F320 HydrophobicContact CD1-CG 4.14Å; F269-F320 HydrophobicContact CD2-CB 3.55Å; F269-F320 HydrophobicContact CD2-CG 4.06Å; F269-F320 HydrophobicContact CE1-CD1 4.43Å; F269-F320 HydrophobicContact CE2-CB 4.08Å; F269-F320 HydrophobicContact CG-CB 3.81Å; F269-F320 HydrophobicContact CG-CD1 4.4Å; F269-F320 HydrophobicContact CG-CD2 4.07Å; F269-F320 AromaticContact CG-CG 3.83Å; F269-F320 HydrophobicContact CG-CG 3.83Å; F269-I322 HydrophobicContact CD2-CD1 3.82Å; F269-I322 HydrophobicContact CE2-CD1 3.7Å; F269-F429 HydrophobicContact CD1-CE2 4.25Å; F269-F429 AromaticContact CD1-CZ 3.73Å; F269-F429 HydrophobicContact CD1-CZ 3.73Å; F269-F429 AromaticContact CE1-CE2 3.63Å; F269-F429 HydrophobicContact CE1-CE2 3.63Å; F269-F429 AromaticContact CE1-CZ 3.58Å; F269-F429 HydrophobicContact CE1-CZ 3.58Å; F269-M431 HydrophobicContact CZ-CE 4.23Å; F269-A439 HydrophobicContact CE1-CB 4.39Å; F269-I443 HydrophobicContact CD1-CD1 4.01Å; F269-I443 HydrophobicContact CE1-CD1 4.14Å
270L98.3Very high96.4Very high1 Ų121.1 Ų21.11%0.00512%0.117CC..Hα-helixtrans-63.6-46.3175.6174.355.4000111.9S266 L267 T268 Y272 N273 L274 V312 I313 S316 M406 V410S266-L270 VanDerWaalsContact O-CB 3.27Å; S266-L270 WeakPolarHBondContact O-CB 3.22Å; S266-L270 PolarHBondContact O-N 2.84Å; L267-L270 PolarHBondContact O-N 3.32Å; T268-L270 VanDerWaalsContact C-N 3.34Å; T268-L270 PolarHBondContact O-N 2.78Å; L270-Y272 VanDerWaalsContact C-N 3.31Å; L270-Y272 PolarHBondContact O-N 2.89Å; L270-N273 PolarHBondContact O-N 3.29Å; L270-L274 HydrophobicContact CD1-CD1 4.06Å; L270-L274 HydrophobicContact CD1-CG 4.2Å; L270-L274 HydrophobicContact CG-CD1 4.2Å; L270-L274 WeakPolarHBondContact O-CG 3.22Å; L270-L274 PolarHBondContact O-N 3.19Å; L270-V312 HydrophobicContact CD1-CG1 3.64Å; L270-I313 HydrophobicContact CD2-CG1 3.79Å; L270-S316 WeakPolarHBondContact CA-OG 3.28Å; L270-S316 PolarHBondContact N-OG 3.04Å; L270-M406 HydrophobicContact CD2-CE 4.25Å; L270-V410 HydrophobicContact CD2-CG2 3.47Å; L270-V410 VanDerWaalsContact CD2-CG2 3.47Å; L270-V410 HydrophobicContact CG-CG2 4.21Å
271A98.1Very high96.7Very high1 Ų121.5 Ų21.51%0.00812%0.119CC..Hα-helixtrans-62.4-38.5175.900000112.1L124 F128 L267 T268 L274 A275 F419 L445L124-A271 HydrophobicContact CD1-CB 3.64Å; F128-A271 HydrophobicContact CE2-CB 4.03Å; F128-A271 HydrophobicContact CZ-CB 4.32Å; L267-A271 WeakPolarHBondContact O-CB 3.22Å; L267-A271 PolarHBondContact O-N 2.79Å; T268-A271 PolarHBondContact O-N 2.76Å; A271-L274 PolarHBondContact O-N 3.49Å; A271-A275 WeakPolarHBondContact O-CB 3.44Å; A271-A275 PolarHBondContact O-N 3.24Å; A271-F419 HydrophobicContact CB-CD1 4.18Å; A271-F419 HydrophobicContact CB-CD2 4.28Å; A271-F419 HydrophobicContact CB-CE1 3.87Å; A271-F419 HydrophobicContact CB-CE2 3.98Å; A271-F419 HydrophobicContact CB-CG 4.37Å; A271-F419 HydrophobicContact CB-CZ 3.75Å; A271-L445 HydrophobicContact CB-CD1 4.2Å
272Y97.9Very high97Very high16 Ų1626.4 Ų26.46%0.06314%0.137CC..Hα-helixtrans-60.7-48.1172.4-179.9-92.5000112.4T268 F269 L270 L274 A275 T276 T425 E426 I427 F429 I443T268-Y272 PolarHBondContact O-N 2.86Å; F269-Y272 WeakPolarHBondContact O-CB 3.47Å; F269-Y272 PolarHBondContact O-N 3.41Å; L270-Y272 VanDerWaalsContact C-N 3.31Å; L270-Y272 PolarHBondContact O-N 2.89Å; Y272-L274 VanDerWaalsContact C-N 3.29Å; Y272-L274 PolarHBondContact O-N 3.49Å; Y272-A275 PolarHBondContact O-N 2.92Å; Y272-T276 HydrophobicContact CD1-CG2 4.33Å; Y272-T276 HydrophobicContact CD2-CG2 4.39Å; Y272-T276 HydrophobicContact CE1-CG2 3.87Å; Y272-T276 HydrophobicContact CE2-CG2 3.96Å; Y272-T276 WeakPolarHBondContact O-CB 3.31Å; Y272-T276 WeakPolarHBondContact O-CG2 3.42Å; Y272-T276 PolarHBondContact O-N 3.02Å; Y272-T276 PolarHBondContact O-OG1 3.23Å; Y272-T425 HydrophobicContact CD2-CG2 4.45Å; Y272-T425 HydrophobicContact CE2-CG2 4.09Å; Y272-E426 WeakPolarHBondContact CE2-O 3.28Å; Y272-E426 PolarHBondContact OH-O 3.49Å; Y272-E426 VanDerWaalsContact OH-O 3.08Å; Y272-I427 HydrophobicContact CE2-CG1 4.43Å; Y272-F429 AromaticContact CD1-CD1 3.98Å; Y272-F429 HydrophobicContact CD1-CD1 3.98Å; Y272-F429 AromaticContact CD1-CE1 3.58Å; Y272-F429 HydrophobicContact CD1-CE1 3.58Å; Y272-F429 HydrophobicContact CD2-CD1 4.19Å; Y272-F429 HydrophobicContact CD2-CE1 4.46Å; Y272-F429 AromaticContact CE1-CD1 3.52Å; Y272-F429 HydrophobicContact CE1-CD1 3.52Å; Y272-F429 AromaticContact CE1-CE1 3.45Å; Y272-F429 HydrophobicContact CE1-CE1 3.45Å; Y272-F429 VanDerWaalsContact CE1-CE1 3.45Å; Y272-F429 AromaticContact CE2-CD1 3.75Å; Y272-F429 HydrophobicContact CE2-CD1 3.75Å; Y272-F429 HydrophobicContact CE2-CE1 4.34Å; Y272-F429 HydrophobicContact CG-CD1 4.29Å; Y272-F429 HydrophobicContact CG-CE1 4.09Å; Y272-F429 AromaticContact CZ-CD1 3.38Å; Y272-F429 AromaticContact CZ-CE1 3.85Å; Y272-I443 HydrophobicContact CD2-CD1 4.38Å; Y272-I443 HydrophobicContact CD2-CG2 3.93Å; Y272-I443 HydrophobicContact CG-CD1 4.4Å
273N97.6Very high97.2Very high6 Ų627.9 Ų27.93%0.03214%0.14CC..Hα-helixtrans-60.8-39.4178.1-75.6-33.3000111.7F269 L270 T276 N277 S316 F367F269-N273 WeakPolarHBondContact O-CB 3.33Å; F269-N273 VanDerWaalsContact O-CG 3.32Å; F269-N273 PolarHBondContact O-N 2.93Å; F269-N273 PolarHBondContact O-ND2 3Å; L270-N273 PolarHBondContact O-N 3.29Å; N273-T276 PolarHBondContact O-OG1 3.33Å; N273-N277 WeakPolarHBondContact O-CB 3.33Å; N273-N277 PolarHBondContact O-N 3.25Å; N273-N277 PolarHBondContact O-ND2 2.62Å; N273-S316 PolarHBondContact ND2-OG 3.48Å; N273-F367 HydrophobicContact CB-CD1 4.15Å; N273-F367 HydrophobicContact CB-CD2 4Å; N273-F367 HydrophobicContact CB-CE1 3.96Å; N273-F367 HydrophobicContact CB-CE2 3.83Å; N273-F367 HydrophobicContact CB-CG 4.18Å; N273-F367 HydrophobicContact CB-CZ 3.82Å
274L98.2Very high97.4Very high0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-67.6-45.5176.2-71.2168.9000112.3L270 A271 Y272 T276 N277 I280 M281 L284 V312 V410 L414 F419L270-L274 HydrophobicContact CD1-CD1 4.06Å; L270-L274 HydrophobicContact CD1-CG 4.2Å; L270-L274 HydrophobicContact CG-CD1 4.2Å; L270-L274 WeakPolarHBondContact O-CG 3.22Å; L270-L274 PolarHBondContact O-N 3.19Å; A271-L274 PolarHBondContact O-N 3.49Å; Y272-L274 VanDerWaalsContact C-N 3.29Å; Y272-L274 PolarHBondContact O-N 3.49Å; L274-T276 VanDerWaalsContact C-N 3.32Å; L274-T276 PolarHBondContact O-N 3.12Å; L274-N277 CarbonylContact O-C 3.54Å; L274-N277 VanDerWaalsContact O-C 3.26Å; L274-N277 PolarHBondContact O-N 3.38Å; L274-I280 HydrophobicContact CD2-CG2 4.45Å; L274-M281 HydrophobicContact CB-CB 4.28Å; L274-M281 HydrophobicContact CB-CG 4.35Å; L274-M281 HydrophobicContact CB-SD 4.32Å; L274-M281 HydrophobicContact CD2-CB 4.04Å; L274-M281 HydrophobicContact CD2-CG 4.39Å; L274-L284 HydrophobicContact CD1-CD2 4.47Å; L274-L284 HydrophobicContact CD2-CD2 4.04Å; L274-V312 HydrophobicContact CD2-CG1 3.91Å; L274-V410 HydrophobicContact CD1-CG1 4.23Å; L274-L414 HydrophobicContact CD1-CD1 4.14Å; L274-F419 HydrophobicContact CB-CD2 4.42Å; L274-F419 HydrophobicContact CD1-CD2 4.43Å; L274-F419 HydrophobicContact CD1-CE2 4.45Å
275A97.6Very high97.5Very high6 Ų628.5 Ų28.55%0.0514%0.142CC..Hα-helixtrans-65-35.2-179.500000113.1A271 Y272 N277 F419 V421 L445A271-A275 WeakPolarHBondContact O-CB 3.44Å; A271-A275 PolarHBondContact O-N 3.24Å; Y272-A275 PolarHBondContact O-N 2.92Å; A275-N277 VanDerWaalsContact C-N 3.33Å; A275-F419 HydrophobicContact CB-CB 3.81Å; A275-V421 HydrophobicContact CB-CG1 4.12Å; A275-L445 HydrophobicContact CB-CD1 3.75Å; A275-L445 HydrophobicContact CB-CD2 3.74Å; A275-L445 HydrophobicContact CB-CG 4.41Å
276T97.1Very high97.7Very high41 Ų4132.8 Ų32.825%0.25216%0.161SC..Hα-helixtrans-83.1-9177.653.50000113.3Y272 N273 L274 V421 I427Y272-T276 HydrophobicContact CD1-CG2 4.33Å; Y272-T276 HydrophobicContact CD2-CG2 4.39Å; Y272-T276 HydrophobicContact CE1-CG2 3.87Å; Y272-T276 HydrophobicContact CE2-CG2 3.96Å; Y272-T276 WeakPolarHBondContact O-CB 3.31Å; Y272-T276 WeakPolarHBondContact O-CG2 3.42Å; Y272-T276 PolarHBondContact O-N 3.02Å; Y272-T276 PolarHBondContact O-OG1 3.23Å; N273-T276 PolarHBondContact O-OG1 3.33Å; L274-T276 VanDerWaalsContact C-N 3.32Å; L274-T276 PolarHBondContact O-N 3.12Å; T276-V421 HydrophobicContact CG2-CG1 4.1Å; T276-I427 HydrophobicContact CG2-CD1 4.2Å; T276-I427 HydrophobicContact CG2-CG1 4.42Å
277N97.6Very high97.7Very high49 Ų4934.3 Ų34.326%0.26217%0.167SC..  trans-130.372.7176.4-60.8-90.5000111.4N273 L274 A275 E279 I280 M281 F367N273-N277 WeakPolarHBondContact O-CB 3.33Å; N273-N277 PolarHBondContact O-N 3.25Å; N273-N277 PolarHBondContact O-ND2 2.62Å; L274-N277 CarbonylContact O-C 3.54Å; L274-N277 VanDerWaalsContact O-C 3.26Å; L274-N277 PolarHBondContact O-N 3.38Å; A275-N277 VanDerWaalsContact C-N 3.33Å; N277-E279 VanDerWaalsContact C-N 3.29Å; N277-E279 PolarHBondContact O-N 3.01Å; N277-I280 HydrophobicContact CB-CB 4.19Å; N277-I280 HydrophobicContact CB-CD1 3.91Å; N277-I280 HydrophobicContact CB-CG1 4.34Å; N277-I280 PolarHBondContact O-N 3.07Å; N277-I280 VanDerWaalsContact O-N 3.08Å; N277-M281 PolarHBondContact O-N 2.56Å; N277-M281 VanDerWaalsContact O-N 3.16Å; N277-F367 HydrophobicContact CB-CD1 4.24Å
278P96.5Very high97.8Very high78 Ų7834.2 Ų34.251%0.50617%0.167SC..Hα-helixtrans-57.8-34-172.9-26.835.6000114.9M281 R282P278-M281 PolarHBondContact O-N 3.33Å; P278-R282 WeakPolarHBondContact O-CB 3.36Å; P278-R282 PolarHBondContact O-N 2.9Å
279E97.2Very high97.8Very high125 Ų12536.6 Ų36.658%0.58418%0.179SC*.Hα-helixtrans-65-39.3177.9-66.7-56.2147.900112.7N277 R282 K283N277-E279 VanDerWaalsContact C-N 3.29Å; N277-E279 PolarHBondContact O-N 3.01Å; E279-R282 PolarHBondContact O-N 2.98Å; E279-R282 IonicContact OE2-CZ 2.65Å; E279-R282 IonicContact OE2-NE 2.96Å; E279-R282 PolarHBondContact OE2-NE 3.49Å; E279-R282 VanDerWaalsContact OE2-NE 3.14Å; E279-R282 IonicContact OE2-NH2 2.82Å; E279-R282 PolarHBondContact OE2-NH2 3.28Å; E279-K283 PolarHBondContact O-N 2.9Å
280I97.8Very high97.8Very high24 Ų2441.2 Ų41.212%0.12321%0.212CC..Hα-helixtrans-67.3-42.2175.6-69.2170.1000109.6L274 N277 K283 L284 V312 F367 P369L274-I280 HydrophobicContact CD2-CG2 4.45Å; N277-I280 HydrophobicContact CB-CB 4.19Å; N277-I280 HydrophobicContact CB-CD1 3.91Å; N277-I280 HydrophobicContact CB-CG1 4.34Å; N277-I280 PolarHBondContact O-N 3.07Å; N277-I280 VanDerWaalsContact O-N 3.08Å; I280-K283 PolarHBondContact O-N 2.9Å; I280-L284 WeakPolarHBondContact O-CB 3.36Å; I280-L284 PolarHBondContact O-N 3.43Å; I280-V312 HydrophobicContact CG2-CG2 4.05Å; I280-F367 HydrophobicContact CD1-CD1 3.59Å; I280-F367 HydrophobicContact CD1-CE1 4.07Å; I280-F367 WeakPolarHBondContact CD1-O 3.3Å; I280-F367 HydrophobicContact CG2-CD1 4.42Å; I280-F367 HydrophobicContact CG2-CE1 3.81Å; I280-P369 HydrophobicContact CD1-CG 4.3Å; I280-P369 HydrophobicContact CG2-CG 4.04Å
281M98.1Very high97.7Very high12 Ų1243.5 Ų43.56%0.05923%0.226CC..Hα-helixtrans-62.2-43.3175.9-176.317760.100111.9L274 N277 P278 L284 Q285 L414 F419L274-M281 HydrophobicContact CB-CB 4.28Å; L274-M281 HydrophobicContact CB-CG 4.35Å; L274-M281 HydrophobicContact CB-SD 4.32Å; L274-M281 HydrophobicContact CD2-CB 4.04Å; L274-M281 HydrophobicContact CD2-CG 4.39Å; N277-M281 PolarHBondContact O-N 2.56Å; N277-M281 VanDerWaalsContact O-N 3.16Å; P278-M281 PolarHBondContact O-N 3.33Å; M281-L284 PolarHBondContact O-N 3.15Å; M281-Q285 VanDerWaalsContact O-CG 3.3Å; M281-Q285 WeakPolarHBondContact O-CG 3.48Å; M281-Q285 PolarHBondContact O-N 3.28Å; M281-L414 HydrophobicContact CG-CD2 3.91Å; M281-L414 HydrophobicContact SD-CD2 3.94Å; M281-F419 VanDerWaalsContact CE-O 3.31Å; M281-F419 WeakPolarHBondContact CE-O 3.47Å; M281-F419 HydrophobicContact SD-CB 4.11Å; M281-F419 HydrophobicContact SD-CD2 4.37Å; M281-F419 PolarHBondContact SD-N 3.09Å; M281-F419 VanDerWaalsContact SD-N 3.41Å
282R97.8Very high97.7Very high117 Ų11743.9 Ų43.944%0.44223%0.227SC..Hα-helixtrans-60.3-45.9177-177.9-178.160.981.6-0.7111.5P278 E279 L284 Q285 E286P278-R282 WeakPolarHBondContact O-CB 3.36Å; P278-R282 PolarHBondContact O-N 2.9Å; E279-R282 PolarHBondContact O-N 2.98Å; E279-R282 IonicContact OE2-CZ 2.65Å; E279-R282 IonicContact OE2-NE 2.96Å; E279-R282 PolarHBondContact OE2-NE 3.49Å; E279-R282 VanDerWaalsContact OE2-NE 3.14Å; E279-R282 IonicContact OE2-NH2 2.82Å; E279-R282 PolarHBondContact OE2-NH2 3.28Å; R282-L284 VanDerWaalsContact C-N 3.31Å; R282-L284 PolarHBondContact O-N 3.26Å; R282-Q285 WeakPolarHBondContact O-CB 3.35Å; R282-Q285 PolarHBondContact O-N 3.12Å; R282-E286 IonicContact CZ-OE1 3.4Å; R282-E286 IonicContact NH1-OE1 2.64Å; R282-E286 PolarHBondContact NH1-OE1 3.24Å; R282-E286 IonicContact NH1-OE2 3.85Å; R282-E286 WeakPolarHBondContact O-CG 3.33Å; R282-E286 PolarHBondContact O-N 3.25Å
283K97.8Very high97.5Very high77 Ų7746.7 Ų46.734%0.33525%0.248SC..Hα-helixtrans-64-36.9177-169.9-177.9-171.5-1790112.4E279 I280 Q285 E286 E287 Y308 E370E279-K283 PolarHBondContact O-N 2.9Å; I280-K283 PolarHBondContact O-N 2.9Å; K283-Q285 VanDerWaalsContact C-N 3.34Å; K283-E286 WeakPolarHBondContact O-CB 3.28Å; K283-E286 PolarHBondContact O-N 3.19Å; K283-E287 PolarHBondContact O-N 3.25Å; K283-E287 VanDerWaalsContact O-N 3.12Å; K283-Y308 HydrophobicContact CB-CD1 4.48Å; K283-Y308 HydrophobicContact CB-CE1 3.72Å; K283-Y308 HydrophobicContact CD-CD1 4.38Å; K283-Y308 HydrophobicContact CD-CE1 3.81Å; K283-Y308 HydrophobicContact CD-CE2 4.2Å; K283-Y308 HydrophobicContact CG-CD1 4.16Å; K283-Y308 HydrophobicContact CG-CE1 3.74Å; K283-E370 WeakPolarHBondContact CD-OE1 3.14Å; K283-E370 WeakPolarHBondContact CE-OE1 3.24Å; K283-E370 IonicContact NZ-OE1 3.91Å; K283-E370 PolarHBondContact NZ-OE1 2.81Å; K283-E370 IonicContact NZ-OE2 3.78Å; K283-E370 PolarHBondContact NZ-OE2 3.46Å
284L98.1Very high97.3Very high0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-65.8-39.7174.1179.658.6000111.7L274 I280 M281 R282 E286 E287 I288 Y308 L309 V312 V410 L414L274-L284 HydrophobicContact CD1-CD2 4.47Å; L274-L284 HydrophobicContact CD2-CD2 4.04Å; I280-L284 WeakPolarHBondContact O-CB 3.36Å; I280-L284 PolarHBondContact O-N 3.43Å; M281-L284 PolarHBondContact O-N 3.15Å; R282-L284 VanDerWaalsContact C-N 3.31Å; R282-L284 PolarHBondContact O-N 3.26Å; L284-E286 VanDerWaalsContact C-N 3.31Å; L284-E286 PolarHBondContact O-N 3.22Å; L284-E287 PolarHBondContact O-N 3.47Å; L284-I288 HydrophobicContact CD1-CD1 4.36Å; L284-I288 HydrophobicContact CD1-CG1 4.48Å; L284-I288 HydrophobicContact CG-CD1 3.99Å; L284-I288 VanDerWaalsContact O-CG1 3.23Å; L284-I288 WeakPolarHBondContact O-CG1 3.33Å; L284-I288 PolarHBondContact O-N 3.19Å; L284-Y308 HydrophobicContact CB-CD1 4.02Å; L284-Y308 HydrophobicContact CB-CE1 3.98Å; L284-Y308 HydrophobicContact CD1-CD1 4.16Å; L284-L309 HydrophobicContact CD1-CB 3.78Å; L284-L309 HydrophobicContact CD1-CD1 4Å; L284-L309 HydrophobicContact CD1-CG 4.49Å; L284-L309 HydrophobicContact CD2-CD1 4.13Å; L284-V312 HydrophobicContact CD2-CB 4.44Å; L284-V312 HydrophobicContact CD2-CG1 4.12Å; L284-V312 HydrophobicContact CD2-CG2 4.35Å; L284-V410 HydrophobicContact CD2-CG1 4.31Å; L284-L414 HydrophobicContact CD2-CD1 3.51Å; L284-L414 HydrophobicContact CG-CD1 3.91Å
285Q98.3Very high97Very high16 Ų1658.9 Ų58.98%0.07531%0.309CS..Hα-helixtrans-61.2-39173.1-74169.6-11.700112M281 R282 K283 I288 D289 L414 S418M281-Q285 VanDerWaalsContact O-CG 3.3Å; M281-Q285 WeakPolarHBondContact O-CG 3.48Å; M281-Q285 PolarHBondContact O-N 3.28Å; R282-Q285 WeakPolarHBondContact O-CB 3.35Å; R282-Q285 PolarHBondContact O-N 3.12Å; K283-Q285 VanDerWaalsContact C-N 3.34Å; Q285-I288 WeakPolarHBondContact O-CB 3.46Å; Q285-I288 PolarHBondContact O-N 2.86Å; Q285-D289 WeakPolarHBondContact O-CB 3.42Å; Q285-D289 PolarHBondContact O-N 3.21Å; Q285-L414 HydrophobicContact CG-CB 4.23Å; Q285-L414 HydrophobicContact CG-CD2 4.47Å; Q285-S418 PolarHBondContact NE2-OG 3.18Å
286E98.1Very high96.8Very high97 Ų9760.1 Ų60.145%0.45332%0.319SS..Hα-helixtrans-62.4-43.3174.5-71.1166.1-172.900112.5R282 K283 L284 D289 S290R282-E286 IonicContact CZ-OE1 3.4Å; R282-E286 IonicContact NH1-OE1 2.64Å; R282-E286 PolarHBondContact NH1-OE1 3.24Å; R282-E286 IonicContact NH1-OE2 3.85Å; R282-E286 WeakPolarHBondContact O-CG 3.33Å; R282-E286 PolarHBondContact O-N 3.25Å; K283-E286 WeakPolarHBondContact O-CB 3.28Å; K283-E286 PolarHBondContact O-N 3.19Å; L284-E286 VanDerWaalsContact C-N 3.31Å; L284-E286 PolarHBondContact O-N 3.22Å; E286-D289 PolarHBondContact O-N 3.24Å; E286-S290 WeakPolarHBondContact O-CB 3.27Å; E286-S290 PolarHBondContact O-N 3.48Å
287E98.1Very high96.7Very high42 Ų4262.3 Ų62.320%0.19633%0.333CS..Hα-helixtrans-62.7-43174.2-173.7-175.1-122.500111.7K283 L284 S290 T291 M306 D307 Y308 L309K283-E287 PolarHBondContact O-N 3.25Å; K283-E287 VanDerWaalsContact O-N 3.12Å; L284-E287 PolarHBondContact O-N 3.47Å; E287-S290 PolarHBondContact O-N 3.09Å; E287-T291 WeakPolarHBondContact O-CB 3.24Å; E287-T291 PolarHBondContact O-N 3.19Å; E287-T291 PolarHBondContact O-OG1 2.93Å; E287-M306 HydrophobicContact CB-CE 4.35Å; E287-M306 HydrophobicContact CG-CE 3.79Å; E287-D307 PolarHBondContact OE1-N 3.1Å; E287-Y308 VanDerWaalsContact CD-CB 3.44Å; E287-Y308 VanDerWaalsContact OE1-CB 3.26Å; E287-Y308 WeakPolarHBondContact OE1-CB 3.47Å; E287-Y308 PolarHBondContact OE1-N 3.48Å; E287-Y308 WeakPolarHBondContact OE2-CB 3.29Å; E287-Y308 PolarHBondContact OE2-N 3.14Å; E287-L309 PolarHBondContact OE2-N 2.94Å
288I98.1Very high96.7Very high0 Ų060 Ų600%032%0.321CS..Hα-helixtrans-59.9-49.5176.5-71.7166.2000110.9L284 Q285 S290 T291 F292 M306 V411 L414 Q415L284-I288 HydrophobicContact CD1-CD1 4.36Å; L284-I288 HydrophobicContact CD1-CG1 4.48Å; L284-I288 HydrophobicContact CG-CD1 3.99Å; L284-I288 VanDerWaalsContact O-CG1 3.23Å; L284-I288 WeakPolarHBondContact O-CG1 3.33Å; L284-I288 PolarHBondContact O-N 3.19Å; Q285-I288 WeakPolarHBondContact O-CB 3.46Å; Q285-I288 PolarHBondContact O-N 2.86Å; I288-S290 VanDerWaalsContact C-N 3.29Å; I288-S290 PolarHBondContact O-N 2.88Å; I288-T291 PolarHBondContact O-N 3.3Å; I288-F292 PolarHBondContact O-N 3.24Å; I288-M306 HydrophobicContact CB-CE 4.27Å; I288-M306 HydrophobicContact CG1-CE 3.61Å; I288-V411 HydrophobicContact CD1-CG2 4.17Å; I288-V411 HydrophobicContact CG1-CG1 4.33Å; I288-V411 HydrophobicContact CG1-CG2 4.1Å; I288-V411 HydrophobicContact CG2-CG1 4.04Å; I288-L414 HydrophobicContact CD1-CB 3.54Å; I288-L414 HydrophobicContact CD1-CD1 3.85Å; I288-L414 HydrophobicContact CD1-CG 4.35Å; I288-Q415 HydrophobicContact CG2-CG 3.42Å; I288-Q415 VanDerWaalsContact CG2-CG 3.42Å
289D97.8Very high96.6Very high57 Ų5762.1 Ų62.131%0.30532%0.324SS..Hα-helixtrans-67.5-32.8-177.6-64.2-17.5000111Q285 E286 F292 P293 R450Q285-D289 WeakPolarHBondContact O-CB 3.42Å; Q285-D289 PolarHBondContact O-N 3.21Å; E286-D289 PolarHBondContact O-N 3.24Å; D289-F292 CarbonylContact O-C 3.45Å; D289-P293 VanDerWaalsContact O-CA 3.26Å; D289-P293 WeakPolarHBondContact O-CA 3.32Å; D289-R450 IonicContact OD1-CZ 2.6Å; D289-R450 IonicContact OD1-NH1 3.26Å; D289-R450 PolarHBondContact OD1-NH1 2.99Å; D289-R450 VanDerWaalsContact OD1-NH1 3.12Å; D289-R450 IonicContact OD1-NH2 3.33Å; D289-R450 IonicContact OD2-CZ 3.54Å; D289-R450 IonicContact OD2-NH1 3.61Å; D289-R450 IonicContact OD2-NH2 2.63Å; D289-R450 PolarHBondContact OD2-NH2 3.38Å
290S97.6Very high96.5Very high100 Ų10057.4 Ų57.470%0.69930%0.301SS*.Hα-helixtrans-69.6-35.9173.5-175.70000113E286 E287 I288E286-S290 WeakPolarHBondContact O-CB 3.27Å; E286-S290 PolarHBondContact O-N 3.48Å; E287-S290 PolarHBondContact O-N 3.09Å; I288-S290 VanDerWaalsContact C-N 3.29Å; I288-S290 PolarHBondContact O-N 2.88Å
291T97.6Very high96.4Very high50 Ų5061 Ų6131%0.30732%0.317SS..Hα-helixtrans-81.4-35.1-179-56.90000111.3E287 I288 P302 M306E287-T291 WeakPolarHBondContact O-CB 3.24Å; E287-T291 PolarHBondContact O-N 3.19Å; E287-T291 PolarHBondContact O-OG1 2.93Å; I288-T291 PolarHBondContact O-N 3.3Å; T291-P302 HydrophobicContact CG2-CB 3.7Å; T291-M306 HydrophobicContact CG2-CG 4.25Å; T291-M306 HydrophobicContact CG2-SD 4.42Å
292F96.8Very high96.3Very high8 Ų862 Ų624%0.03533%0.325CS..SBendtrans-129.272.7-177.8-57.2-68.9000111.1I288 D289 K295 A296 V298 Q299 P302 L303 M306 V411I288-F292 PolarHBondContact O-N 3.24Å; D289-F292 CarbonylContact O-C 3.45Å; F292-K295 PolarHBondContact O-N 3.17Å; F292-A296 HydrophobicContact CB-CB 4.34Å; F292-V298 HydrophobicContact CE1-CG1 4.29Å; F292-V298 HydrophobicContact CE2-CG1 4.03Å; F292-V298 HydrophobicContact CZ-CB 4.36Å; F292-V298 HydrophobicContact CZ-CG1 3.71Å; F292-Q299 HydrophobicContact CE1-CB 4.43Å; F292-P302 HydrophobicContact CE1-CB 3.9Å; F292-P302 HydrophobicContact CE1-CG 4.4Å; F292-P302 HydrophobicContact CZ-CB 3.82Å; F292-L303 HydrophobicContact CZ-CB 4.34Å; F292-M306 HydrophobicContact CE2-SD 3.93Å; F292-V411 HydrophobicContact CD2-CG1 4.08Å; F292-V411 HydrophobicContact CE2-CG1 4.1Å
293P95.2Very high96.3Very high75 Ų7556.4 Ų56.449%0.48730%0.304SS..G310 helixtrans-60.8149-176.225.4-35000111.8D289 K295 A296D289-P293 VanDerWaalsContact O-CA 3.26Å; D289-P293 WeakPolarHBondContact O-CA 3.32Å; P293-K295 PolarHBondContact O-N 3.47Å; P293-A296 VanDerWaalsContact O-CB 3.25Å; P293-A296 WeakPolarHBondContact O-CB 3.28Å; P293-A296 PolarHBondContact O-N 3.18Å; P293-A296 VanDerWaalsContact O-N 3.09Å
294N92.8Very high96.2Very high167 Ų16755.2 Ų55.289%0.89330%0.3SS*.G310 helixtrans56.233-179.6-54.5-46.2000114.2A296N294-A296 PolarHBondContact O-N 2.9Å
295K91.9Very high96Very high96 Ų9660.9 Ų60.942%0.41733%0.327SS..G310 helixtrans57.638.3-176.7-51.4179.1-178.5-178.60111.4F292 P293 Q415 R416 R450F292-K295 PolarHBondContact O-N 3.17Å; P293-K295 PolarHBondContact O-N 3.47Å; K295-Q415 WeakPolarHBondContact CD-O 3.36Å; K295-Q415 WeakPolarHBondContact CE-O 3.49Å; K295-R416 HydrophobicContact CD-CG 4.46Å; K295-R450 PolarHBondContact NZ-O 3.22Å
296A93.8Very high95.9Very high32 Ų3260.3 Ų60.326%0.26432%0.324SS..PPolyproline II helixtrans-57.2147.4178.700000111.3F292 P293 N294 V298 Q415F292-A296 HydrophobicContact CB-CB 4.34Å; P293-A296 VanDerWaalsContact O-CB 3.25Å; P293-A296 WeakPolarHBondContact O-CB 3.28Å; P293-A296 PolarHBondContact O-N 3.18Å; P293-A296 VanDerWaalsContact O-N 3.09Å; N294-A296 PolarHBondContact O-N 2.9Å; A296-V298 PolarHBondContact O-N 3.09Å; A296-Q415 PolarHBondContact O-NE2 3.14Å; A296-Q415 VanDerWaalsContact O-NE2 3.07Å
297P94.7Very high95.8Very high86 Ų8658.7 Ų58.756%0.55832%0.319SS*.PPolyproline II helixtrans-58.1131.5179.3-22.732.4000111.7K102 Q299K102-P297 VanDerWaalsContact NZ-CB 3.31Å; P297-Q299 PolarHBondContact O-N 2.81Å
298V96.4Very high95.7Very high0 Ų057.6 Ų57.60%031%0.313CS..PPolyproline II helixtrans-62.2136.3-178.5-174.50000110.5F98 K102 F292 A296 L303 L408 V411 E412F98-V298 HydrophobicContact CZ-CG1 4.1Å; K102-V298 WeakPolarHBondContact CE-O 3.4Å; K102-V298 PolarHBondContact NZ-O 3.4Å; F292-V298 HydrophobicContact CE1-CG1 4.29Å; F292-V298 HydrophobicContact CE2-CG1 4.03Å; F292-V298 HydrophobicContact CZ-CB 4.36Å; F292-V298 HydrophobicContact CZ-CG1 3.71Å; A296-V298 PolarHBondContact O-N 3.09Å; V298-L303 HydrophobicContact CG1-CB 3.95Å; V298-L303 HydrophobicContact CG1-CD1 3.9Å; V298-L303 HydrophobicContact CG1-CD2 4.02Å; V298-L303 HydrophobicContact CG1-CG 4.18Å; V298-L408 HydrophobicContact CB-CD1 3.99Å; V298-L408 HydrophobicContact CG1-CD1 3.89Å; V298-L408 HydrophobicContact CG2-CD1 4.43Å; V298-V411 HydrophobicContact CG2-CG1 3.7Å; V298-E412 HydrophobicContact CG2-CG 4.07Å; V298-E412 WeakPolarHBondContact CG2-OE1 3.38Å
299Q95.6Very high95.7Very high123 Ų12357.6 Ų57.658%0.57531%0.313SS*.  trans-116.6147.1176.7-68-175.7-20.500110.2F292 P297 Q301 P302 L303F292-Q299 HydrophobicContact CE1-CB 4.43Å; P297-Q299 PolarHBondContact O-N 2.81Å; Q299-Q301 PolarHBondContact O-N 2.82Å; Q299-P302 HydrophobicContact CB-CG 4.08Å; Q299-P302 WeakPolarHBondContact O-CD 3.25Å; Q299-L303 WeakPolarHBondContact O-CB 3.28Å; Q299-L303 PolarHBondContact O-N 3.26Å; Q299-L303 VanDerWaalsContact O-N 3.12Å
300Y95Very high95.6Very high26 Ų2656.4 Ų56.410%0.10231%0.306CS..Hα-helixtrans-58.5-50.2-173.8-179.7-90000113.4L94 K95 F98 L303 M304 V404L94-Y300 HydrophobicContact CB-CE2 4.29Å; K95-Y300 HydrophobicContact CB-CD1 4.17Å; K95-Y300 HydrophobicContact CB-CD2 4.42Å; K95-Y300 HydrophobicContact CB-CE1 4.2Å; K95-Y300 HydrophobicContact CB-CE2 4.43Å; K95-Y300 HydrophobicContact CB-CG 4.29Å; K95-Y300 HydrophobicContact CD-CD1 4.31Å; K95-Y300 HydrophobicContact CG-CD1 4.06Å; K95-Y300 HydrophobicContact CG-CG 4.11Å; F98-Y300 HydrophobicContact CB-CD2 4.02Å; F98-Y300 AromaticContact CD2-CD2 3.68Å; F98-Y300 HydrophobicContact CD2-CD2 3.68Å; F98-Y300 HydrophobicContact CD2-CG 4.47Å; F98-Y300 VanDerWaalsContact CE1-N 3.34Å; F98-Y300 HydrophobicContact CE2-CD2 4.3Å; F98-Y300 AromaticContact CG-CD2 3.86Å; F98-Y300 HydrophobicContact CG-CD2 3.86Å; F98-Y300 HydrophobicContact CG-CG 4.4Å; Y300-L303 PolarHBondContact O-N 3.1Å; Y300-M304 HydrophobicContact CD1-CG 4.4Å; Y300-M304 HydrophobicContact CE1-CG 4.06Å; Y300-M304 HydrophobicContact CE2-CG 4.27Å; Y300-M304 VanDerWaalsContact O-CG 3.31Å; Y300-M304 WeakPolarHBondContact O-CG 3.47Å; Y300-M304 PolarHBondContact O-N 3.49Å; Y300-M304 VanDerWaalsContact O-N 3.12Å; Y300-V404 HydrophobicContact CE2-CG1 4.32Å; Y300-V404 HydrophobicContact CE2-CG2 3.92Å
301Q95.4Very high95.6Very high99 Ų9952 Ų5246%0.46328%0.275SS..Hα-helixtrans-66.3-52.1-173.5-169.771.525.600111.7Q299 L303 M304 E305Q299-Q301 PolarHBondContact O-N 2.82Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 3.06Å; Q301-M304 PolarHBondContact O-N 2.95Å; Q301-M304 VanDerWaalsContact O-N 3.14Å; Q301-E305 WeakPolarHBondContact CG-OE1 3.2Å; Q301-E305 PolarHBondContact NE2-OE1 3Å; Q301-E305 WeakPolarHBondContact O-CG 3.04Å; Q301-E305 PolarHBondContact O-N 3.49Å
302P96.6Very high95.6Very high33 Ų3349.7 Ų49.721%0.21426%0.261CS..Hα-helixtrans-60.4-39.3177.3-23.234.8000112.8T291 F292 Q299 M304 E305 M306T291-P302 HydrophobicContact CG2-CB 3.7Å; F292-P302 HydrophobicContact CE1-CB 3.9Å; F292-P302 HydrophobicContact CE1-CG 4.4Å; F292-P302 HydrophobicContact CZ-CB 3.82Å; Q299-P302 HydrophobicContact CB-CG 4.08Å; Q299-P302 WeakPolarHBondContact O-CD 3.25Å; P302-M304 VanDerWaalsContact C-N 3.27Å; P302-M304 PolarHBondContact O-N 3.27Å; P302-E305 PolarHBondContact O-N 3.12Å; P302-E305 VanDerWaalsContact O-N 3.13Å; P302-M306 WeakPolarHBondContact O-CG 3.35Å; P302-M306 PolarHBondContact O-N 3.06Å
303L96.7Very high95.7Very high0 Ų049.3 Ų49.30%026%0.259CS..Hα-helixtrans-58.2-40.5177.1179.668.6000112.2F98 F292 V298 Q299 Y300 Q301 E305 M306 L309 K407 L408 V411F98-L303 HydrophobicContact CE2-CD2 3.66Å; F98-L303 HydrophobicContact CZ-CD2 4.02Å; F292-L303 HydrophobicContact CZ-CB 4.34Å; V298-L303 HydrophobicContact CG1-CB 3.95Å; V298-L303 HydrophobicContact CG1-CD1 3.9Å; V298-L303 HydrophobicContact CG1-CD2 4.02Å; V298-L303 HydrophobicContact CG1-CG 4.18Å; Q299-L303 WeakPolarHBondContact O-CB 3.28Å; Q299-L303 PolarHBondContact O-N 3.26Å; Q299-L303 VanDerWaalsContact O-N 3.12Å; Y300-L303 PolarHBondContact O-N 3.1Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 3.06Å; L303-E305 VanDerWaalsContact C-N 3.29Å; L303-M306 HydrophobicContact CD1-SD 4.22Å; L303-L309 HydrophobicContact CD1-CD2 4.07Å; L303-K407 HydrophobicContact CD1-CB 3.92Å; L303-K407 HydrophobicContact CD2-CB 4.12Å; L303-K407 HydrophobicContact CG-CB 4Å; L303-K407 HydrophobicContact CG-CD 4.45Å; L303-L408 HydrophobicContact CD2-CB 4.04Å; L303-L408 HydrophobicContact CD2-CD1 4.45Å; L303-V411 HydrophobicContact CD1-CB 4.07Å; L303-V411 HydrophobicContact CD1-CG1 4.46Å; L303-V411 HydrophobicContact CD1-CG2 3.58Å
304M94.8Very high95.8Very high53 Ų5346.5 Ų46.526%0.26124%0.241SC..Hα-helixtrans-76.3-18.7-178.5-69.2-54.3-62.100113.2Y300 Q301 P302 V404 K407Y300-M304 HydrophobicContact CD1-CG 4.4Å; Y300-M304 HydrophobicContact CE1-CG 4.06Å; Y300-M304 HydrophobicContact CE2-CG 4.27Å; Y300-M304 VanDerWaalsContact O-CG 3.31Å; Y300-M304 WeakPolarHBondContact O-CG 3.47Å; Y300-M304 PolarHBondContact O-N 3.49Å; Y300-M304 VanDerWaalsContact O-N 3.12Å; Q301-M304 PolarHBondContact O-N 2.95Å; Q301-M304 VanDerWaalsContact O-N 3.14Å; P302-M304 VanDerWaalsContact C-N 3.27Å; P302-M304 PolarHBondContact O-N 3.27Å; M304-V404 HydrophobicContact CE-CG2 4.37Å; M304-V404 HydrophobicContact SD-CG2 3.73Å; M304-K407 PolarHBondContact O-NZ 3.05Å; M304-K407 HydrophobicContact SD-CD 3.95Å
305E95.2Very high96Very high119 Ų11938.6 Ų38.656%0.55620%0.198SC*.THydrogen-bonded Turntrans-92.4-1.4-180-69.9172.2176.800113.7Q301 P302 L303 D307Q301-E305 WeakPolarHBondContact CG-OE1 3.2Å; Q301-E305 PolarHBondContact NE2-OE1 3Å; Q301-E305 WeakPolarHBondContact O-CG 3.04Å; Q301-E305 PolarHBondContact O-N 3.49Å; P302-E305 PolarHBondContact O-N 3.12Å; P302-E305 VanDerWaalsContact O-N 3.13Å; L303-E305 VanDerWaalsContact C-N 3.29Å; E305-D307 PolarHBondContact O-N 3.2Å
306M96.2Very high96.3Very high3 Ų334.1 Ų34.12%0.01518%0.179CC..  trans-71.9107.1177.2-60.5-175.673.900111.9E287 I288 T291 F292 P302 L303 L309 D310 V411E287-M306 HydrophobicContact CB-CE 4.35Å; E287-M306 HydrophobicContact CG-CE 3.79Å; I288-M306 HydrophobicContact CB-CE 4.27Å; I288-M306 HydrophobicContact CG1-CE 3.61Å; T291-M306 HydrophobicContact CG2-CG 4.25Å; T291-M306 HydrophobicContact CG2-SD 4.42Å; F292-M306 HydrophobicContact CE2-SD 3.93Å; P302-M306 WeakPolarHBondContact O-CG 3.35Å; P302-M306 PolarHBondContact O-N 3.06Å; L303-M306 HydrophobicContact CD1-SD 4.22Å; M306-L309 HydrophobicContact CB-CB 3.74Å; M306-L309 HydrophobicContact CB-CD2 4.15Å; M306-L309 HydrophobicContact CE-CB 4.46Å; M306-L309 HydrophobicContact SD-CD2 3.84Å; M306-D310 PolarHBondContact O-N 2.9Å; M306-V411 HydrophobicContact SD-CG2 4.05Å
307D94.9Very high96.5Very high64 Ų6432.9 Ų32.934%0.34217%0.168SC..Hα-helixtrans-73.4-42.2-173-67.6-39.6000113.1E287 E305 D310 S311 K375E287-D307 PolarHBondContact OE1-N 3.1Å; E305-D307 PolarHBondContact O-N 3.2Å; D307-D310 WeakPolarHBondContact O-CB 3.42Å; D307-D310 PolarHBondContact O-N 3.48Å; D307-S311 PolarHBondContact O-N 3Å; D307-S311 PolarHBondContact O-OG 2.82Å; D307-K375 WeakPolarHBondContact OD1-CE 3.45Å; D307-K375 IonicContact OD1-NZ 2.8Å; D307-K375 PolarHBondContact OD1-NZ 2.89Å; D307-K375 WeakPolarHBondContact OD2-CE 3.47Å; D307-K375 IonicContact OD2-NZ 3.67Å; D307-K375 PolarHBondContact OD2-NZ 3.45Å
308Y97.1Very high96.6Very high19 Ų1928.8 Ų28.88%0.07514%0.141CC..Hα-helixtrans-75.1-39.6-177-170-119.3000110.9K283 L284 E287 D310 S311 V312 P369 E370K283-Y308 HydrophobicContact CB-CD1 4.48Å; K283-Y308 HydrophobicContact CB-CE1 3.72Å; K283-Y308 HydrophobicContact CD-CD1 4.38Å; K283-Y308 HydrophobicContact CD-CE1 3.81Å; K283-Y308 HydrophobicContact CD-CE2 4.2Å; K283-Y308 HydrophobicContact CG-CD1 4.16Å; K283-Y308 HydrophobicContact CG-CE1 3.74Å; L284-Y308 HydrophobicContact CB-CD1 4.02Å; L284-Y308 HydrophobicContact CB-CE1 3.98Å; L284-Y308 HydrophobicContact CD1-CD1 4.16Å; E287-Y308 VanDerWaalsContact CD-CB 3.44Å; E287-Y308 VanDerWaalsContact OE1-CB 3.26Å; E287-Y308 WeakPolarHBondContact OE1-CB 3.47Å; E287-Y308 PolarHBondContact OE1-N 3.48Å; E287-Y308 WeakPolarHBondContact OE2-CB 3.29Å; E287-Y308 PolarHBondContact OE2-N 3.14Å; Y308-D310 VanDerWaalsContact C-N 3.28Å; Y308-D310 PolarHBondContact O-N 2.81Å; Y308-S311 WeakPolarHBondContact O-CA 3.35Å; Y308-S311 WeakPolarHBondContact O-CB 3.47Å; Y308-S311 PolarHBondContact O-N 3.11Å; Y308-V312 HydrophobicContact CD1-CG2 4.19Å; Y308-V312 HydrophobicContact CE1-CG2 3.93Å; Y308-V312 HydrophobicContact CE2-CG2 4.28Å; Y308-V312 VanDerWaalsContact O-CG2 3.28Å; Y308-V312 WeakPolarHBondContact O-CG2 3.27Å; Y308-V312 PolarHBondContact O-N 3.35Å; Y308-P369 HydrophobicContact CE2-CB 4.16Å; Y308-E370 HydrophobicContact CD2-CG 4.19Å; Y308-E370 HydrophobicContact CE2-CG 3.29Å; Y308-E370 PolarHBondContact OH-OE1 2.76Å
309L97.6Very high96.6Very high0 Ų029.1 Ų29.10%014%0.143CC..Hα-helixtrans-53-45.6167.5179.661.1000111.9L284 E287 L303 M306 S311 V312 I313 K407 V410 V411L284-L309 HydrophobicContact CD1-CB 3.78Å; L284-L309 HydrophobicContact CD1-CD1 4Å; L284-L309 HydrophobicContact CD1-CG 4.49Å; L284-L309 HydrophobicContact CD2-CD1 4.13Å; E287-L309 PolarHBondContact OE2-N 2.94Å; L303-L309 HydrophobicContact CD1-CD2 4.07Å; M306-L309 HydrophobicContact CB-CB 3.74Å; M306-L309 HydrophobicContact CB-CD2 4.15Å; M306-L309 HydrophobicContact CE-CB 4.46Å; M306-L309 HydrophobicContact SD-CD2 3.84Å; L309-S311 VanDerWaalsContact C-N 3.32Å; L309-S311 PolarHBondContact O-N 3.21Å; L309-V312 PolarHBondContact O-N 3.16Å; L309-I313 HydrophobicContact CD1-CD1 3.92Å; L309-I313 HydrophobicContact CD1-CG1 4.28Å; L309-I313 HydrophobicContact CG-CD1 4.03Å; L309-I313 WeakPolarHBondContact O-CG1 3.46Å; L309-I313 PolarHBondContact O-N 2.91Å; L309-K407 HydrophobicContact CD2-CB 3.89Å; L309-K407 HydrophobicContact CD2-CD 4.03Å; L309-K407 HydrophobicContact CD2-CG 3.71Å; L309-K407 HydrophobicContact CG-CG 4.09Å; L309-V410 HydrophobicContact CD1-CG1 4.16Å; L309-V411 HydrophobicContact CD1-CG2 4.45Å; L309-V411 HydrophobicContact CD2-CG2 3.52Å
310D96.2Very high96.6Very high32 Ų3224.3 Ų24.317%0.17112%0.12CC..Hα-helixtrans-60.9-41.8174.6-94.7-30.3000112.3M306 D307 Y308 V312 N314 K407M306-D310 PolarHBondContact O-N 2.9Å; D307-D310 WeakPolarHBondContact O-CB 3.42Å; D307-D310 PolarHBondContact O-N 3.48Å; Y308-D310 VanDerWaalsContact C-N 3.28Å; Y308-D310 PolarHBondContact O-N 2.81Å; D310-V312 VanDerWaalsContact C-N 3.35Å; D310-V312 PolarHBondContact O-N 3.21Å; D310-N314 WeakPolarHBondContact O-CB 3.36Å; D310-N314 PolarHBondContact O-N 3.33Å; D310-N314 PolarHBondContact O-ND2 2.86Å; D310-K407 WeakPolarHBondContact OD1-CE 3.29Å; D310-K407 IonicContact OD1-NZ 3.78Å; D310-K407 PolarHBondContact OD1-NZ 2.95Å; D310-K407 IonicContact OD2-NZ 2.59Å; D310-K407 PolarHBondContact OD2-NZ 3.42Å
311S96.9Very high96.6Very high7 Ų723 Ų235%0.04912%0.115CC..Hα-helixtrans-62-44.2178-56.30000111.5D307 Y308 L309 E315 F373D307-S311 PolarHBondContact O-N 3Å; D307-S311 PolarHBondContact O-OG 2.82Å; Y308-S311 WeakPolarHBondContact O-CA 3.35Å; Y308-S311 WeakPolarHBondContact O-CB 3.47Å; Y308-S311 PolarHBondContact O-N 3.11Å; L309-S311 VanDerWaalsContact C-N 3.32Å; L309-S311 PolarHBondContact O-N 3.21Å; S311-E315 VanDerWaalsContact O-CB 3.31Å; S311-E315 WeakPolarHBondContact O-CB 3.37Å; S311-E315 PolarHBondContact O-N 2.8Å; S311-F373 PolarHBondContact OG-O 2.89Å; S311-F373 VanDerWaalsContact OG-O 3.05Å
312V98.1Very high96.5Very high1 Ų118.9 Ų18.91%0.00610%0.096CC..Hα-helixtrans-65.3-46.3-179.7172.20000111L270 L274 I280 L284 Y308 L309 D310 E315 S316 F367 P369L270-V312 HydrophobicContact CD1-CG1 3.64Å; L274-V312 HydrophobicContact CD2-CG1 3.91Å; I280-V312 HydrophobicContact CG2-CG2 4.05Å; L284-V312 HydrophobicContact CD2-CB 4.44Å; L284-V312 HydrophobicContact CD2-CG1 4.12Å; L284-V312 HydrophobicContact CD2-CG2 4.35Å; Y308-V312 HydrophobicContact CD1-CG2 4.19Å; Y308-V312 HydrophobicContact CE1-CG2 3.93Å; Y308-V312 HydrophobicContact CE2-CG2 4.28Å; Y308-V312 VanDerWaalsContact O-CG2 3.28Å; Y308-V312 WeakPolarHBondContact O-CG2 3.27Å; Y308-V312 PolarHBondContact O-N 3.35Å; L309-V312 PolarHBondContact O-N 3.16Å; D310-V312 VanDerWaalsContact C-N 3.35Å; D310-V312 PolarHBondContact O-N 3.21Å; V312-E315 PolarHBondContact O-N 3.21Å; V312-S316 PolarHBondContact O-N 3.22Å; V312-F367 HydrophobicContact CG1-CE1 4.45Å; V312-F367 HydrophobicContact CG1-CZ 3.91Å; V312-P369 HydrophobicContact CB-CG 4.42Å; V312-P369 HydrophobicContact CG2-CB 3.95Å; V312-P369 HydrophobicContact CG2-CG 3.94Å
313I97.8Very high96.3Very high0 Ų019.1 Ų19.10%010%0.101CC..Hα-helixtrans-63.6-46.2178.2-69.7171.5000110.6L270 L309 E315 S316 L317 L403 M406 K407L270-I313 HydrophobicContact CD2-CG1 3.79Å; L309-I313 HydrophobicContact CD1-CD1 3.92Å; L309-I313 HydrophobicContact CD1-CG1 4.28Å; L309-I313 HydrophobicContact CG-CD1 4.03Å; L309-I313 WeakPolarHBondContact O-CG1 3.46Å; L309-I313 PolarHBondContact O-N 2.91Å; I313-E315 VanDerWaalsContact C-N 3.35Å; I313-E315 PolarHBondContact O-N 3Å; I313-S316 WeakPolarHBondContact O-CB 3.43Å; I313-S316 PolarHBondContact O-N 3.3Å; I313-L317 HydrophobicContact CG2-CD1 3.96Å; I313-L317 HydrophobicContact CG2-CG 4.42Å; I313-L317 WeakPolarHBondContact O-CG 3.35Å; I313-L317 PolarHBondContact O-N 3.3Å; I313-L403 HydrophobicContact CG2-CD2 3.92Å; I313-M406 HydrophobicContact CG2-CE 3.97Å; I313-K407 HydrophobicContact CD1-CB 4.33Å; I313-K407 HydrophobicContact CD1-CG 3.39Å
314N97.3Very high96.1Very high17 Ų1719.2 Ų19.29%0.09110%0.102CC..Hα-helixtrans-63.2-42-179.6-77.9-55.5000112.1D310 S316 L317 R318 F373 Y386D310-N314 WeakPolarHBondContact O-CB 3.36Å; D310-N314 PolarHBondContact O-N 3.33Å; D310-N314 PolarHBondContact O-ND2 2.86Å; N314-S316 VanDerWaalsContact C-N 3.28Å; N314-S316 PolarHBondContact O-N 3.44Å; N314-L317 CarbonylContact O-C 3.34Å; N314-L317 PolarHBondContact O-N 2.66Å; N314-R318 PolarHBondContact O-N 2.9Å; N314-F373 HydrophobicContact CB-CB 4.31Å; N314-F373 HydrophobicContact CB-CD1 3.64Å; N314-F373 HydrophobicContact CB-CD2 3.96Å; N314-F373 HydrophobicContact CB-CE1 3.85Å; N314-F373 HydrophobicContact CB-CE2 4.16Å; N314-F373 HydrophobicContact CB-CG 3.7Å; N314-F373 HydrophobicContact CB-CZ 4.1Å; N314-Y386 WeakPolarHBondContact CA-OH 3.29Å; N314-Y386 VanDerWaalsContact CB-OH 3.3Å; N314-Y386 WeakPolarHBondContact CB-OH 3.41Å; N314-Y386 PolarHBondContact O-OH 2.96Å; N314-Y386 PolarHBondContact OD1-OH 3.36Å
315E97.8Very high96Very high0 Ų018.7 Ų18.70%010%0.097CC..Hα-helixtrans-64.1-35.3175.9178.559.2-172.700112.3S311 V312 I313 R318 L319 F367 K368 P369 R372 F373S311-E315 VanDerWaalsContact O-CB 3.31Å; S311-E315 WeakPolarHBondContact O-CB 3.37Å; S311-E315 PolarHBondContact O-N 2.8Å; V312-E315 PolarHBondContact O-N 3.21Å; I313-E315 VanDerWaalsContact C-N 3.35Å; I313-E315 PolarHBondContact O-N 3Å; E315-R318 WeakPolarHBondContact O-CB 3.33Å; E315-R318 PolarHBondContact O-N 3.11Å; E315-R318 IonicContact OE1-CZ 2.78Å; E315-R318 IonicContact OE1-NE 2.71Å; E315-R318 PolarHBondContact OE1-NE 2.82Å; E315-R318 IonicContact OE1-NH2 2.97Å; E315-R318 PolarHBondContact OE1-NH2 3.23Å; E315-R318 IonicContact OE2-CZ 3.01Å; E315-R318 IonicContact OE2-NE 2.71Å; E315-R318 PolarHBondContact OE2-NE 2.92Å; E315-R318 IonicContact OE2-NH2 3.97Å; E315-L319 PolarHBondContact O-N 3Å; E315-L319 VanDerWaalsContact O-N 3.09Å; E315-F367 HydrophobicContact CB-CD2 4.28Å; E315-F367 HydrophobicContact CB-CE2 3.85Å; E315-F367 HydrophobicContact CG-CD2 3.39Å; E315-F367 HydrophobicContact CG-CE2 3.48Å; E315-F367 VanDerWaalsContact CG-CE2 3.48Å; E315-F367 HydrophobicContact CG-CG 4.21Å; E315-F367 HydrophobicContact CG-CZ 4.37Å; E315-K368 PolarHBondContact OE1-N 3.25Å; E315-P369 HydrophobicContact CB-CB 4.21Å; E315-P369 HydrophobicContact CB-CG 4.01Å; E315-P369 HydrophobicContact CG-CG 4.03Å; E315-R372 IonicContact OE1-CZ 2.72Å; E315-R372 IonicContact OE1-NH1 2.71Å; E315-R372 PolarHBondContact OE1-NH1 3.42Å; E315-R372 WeakPolarHBondContact OE2-CD 3.36Å; E315-R372 IonicContact OE2-NH1 3.94Å; E315-F373 HydrophobicContact CB-CD2 3.91Å; E315-F373 HydrophobicContact CB-CE2 4.13Å; E315-F373 WeakPolarHBondContact OE2-CE2 3.34Å
316S97.9Very high96.1Very high2 Ų214.1 Ų14.11%0.0148%0.076CC..Hα-helixtrans-67.3-40175.1-170.10000111.5L270 N273 V312 I313 N314 R318 L319 F320L270-S316 WeakPolarHBondContact CA-OG 3.28Å; L270-S316 PolarHBondContact N-OG 3.04Å; N273-S316 PolarHBondContact ND2-OG 3.48Å; V312-S316 PolarHBondContact O-N 3.22Å; I313-S316 WeakPolarHBondContact O-CB 3.43Å; I313-S316 PolarHBondContact O-N 3.3Å; N314-S316 VanDerWaalsContact C-N 3.28Å; N314-S316 PolarHBondContact O-N 3.44Å; S316-R318 VanDerWaalsContact C-N 3.33Å; S316-L319 PolarHBondContact O-N 2.6Å; S316-F320 PolarHBondContact O-N 2.63Å
317L97.5Very high96.1Very high7 Ų715.9 Ų15.94%0.0378%0.084CC..Hα-helixtrans-72.1-25.8175.9-69173.6000112.7I313 N314 F320 P321 P388 F389I313-L317 HydrophobicContact CG2-CD1 3.96Å; I313-L317 HydrophobicContact CG2-CG 4.42Å; I313-L317 WeakPolarHBondContact O-CG 3.35Å; I313-L317 PolarHBondContact O-N 3.3Å; N314-L317 CarbonylContact O-C 3.34Å; N314-L317 PolarHBondContact O-N 2.66Å; L317-F320 CarbonylContact O-C 3.59Å; L317-P321 WeakPolarHBondContact O-CA 3.48Å; L317-P388 HydrophobicContact CB-CB 3.86Å; L317-P388 HydrophobicContact CB-CG 4.22Å; L317-F389 HydrophobicContact CD1-CE2 3.59Å; L317-F389 HydrophobicContact CD1-CZ 3.91Å
318R97.5Very high96.2Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-65.2-52.1170-170.9-163.161.377.46.6109.9N314 E315 S316 P321 H355 W361 P364 K366 F373 Y386N314-R318 PolarHBondContact O-N 2.9Å; E315-R318 WeakPolarHBondContact O-CB 3.33Å; E315-R318 PolarHBondContact O-N 3.11Å; E315-R318 IonicContact OE1-CZ 2.78Å; E315-R318 IonicContact OE1-NE 2.71Å; E315-R318 PolarHBondContact OE1-NE 2.82Å; E315-R318 IonicContact OE1-NH2 2.97Å; E315-R318 PolarHBondContact OE1-NH2 3.23Å; E315-R318 IonicContact OE2-CZ 3.01Å; E315-R318 IonicContact OE2-NE 2.71Å; E315-R318 PolarHBondContact OE2-NE 2.92Å; E315-R318 IonicContact OE2-NH2 3.97Å; S316-R318 VanDerWaalsContact C-N 3.33Å; R318-P321 WeakPolarHBondContact O-CD 3.48Å; R318-H355 HydrophobicContact CG-CB 3.93Å; R318-H355 PolarHBondContact NH1-O 3.47Å; R318-H355 VanDerWaalsContact O-CB 3.23Å; R318-H355 WeakPolarHBondContact O-CB 2.9Å; R318-H355 PolarHBondContact O-ND1 3.48Å; R318-H355 VanDerWaalsContact O-ND1 3.1Å; R318-W361 VanDerWaalsContact CD-CE3 3.48Å; R318-W361 HydrophobicContact CG-CZ2 4.35Å; R318-P364 VanDerWaalsContact CZ-O 3.28Å; R318-P364 PolarHBondContact NH1-O 3.23Å; R318-P364 PolarHBondContact NH2-O 3.4Å; R318-K366 PolarHBondContact NH2-O 3.43Å; R318-F373 HydrophobicContact CB-CE2 4.19Å; R318-F373 HydrophobicContact CB-CZ 4.25Å; R318-Y386 HydrophobicContact CB-CD2 4.17Å; R318-Y386 HydrophobicContact CB-CE2 3.76Å; R318-Y386 HydrophobicContact CG-CD2 4.24Å; R318-Y386 HydrophobicContact CG-CE2 4.35Å
319L96.2Very high96.2Very high6 Ų613.7 Ų13.73%0.0317%0.074CC..Hα-helixtrans-64.5-42.6177.2-74.8177.9000112.1E315 S316 P321 W352 R356 P364 F367E315-L319 PolarHBondContact O-N 3Å; E315-L319 VanDerWaalsContact O-N 3.09Å; S316-L319 PolarHBondContact O-N 2.6Å; L319-P321 VanDerWaalsContact C-CD 3.44Å; L319-P321 WeakPolarHBondContact O-CD 3.42Å; L319-W352 VanDerWaalsContact O-CZ3 3.25Å; L319-W352 WeakPolarHBondContact O-CZ3 3.48Å; L319-R356 PolarHBondContact O-NH1 2.74Å; L319-R356 PolarHBondContact O-NH2 3.27Å; L319-P364 WeakPolarHBondContact CD2-O 3.41Å; L319-F367 HydrophobicContact CD1-CB 4.03Å; L319-F367 HydrophobicContact CD1-CD2 3.71Å; L319-F367 HydrophobicContact CD1-CG 4.36Å
320F95.7Very high96.2Very high22 Ų2213.7 Ų13.710%0.0967%0.074CC..  trans-126.470.5-173.2-55.3-72.5000111.8F269 S316 L317 I322 W352 F429 M431F269-F320 HydrophobicContact CB-CB 4.05Å; F269-F320 HydrophobicContact CB-CD2 3.8Å; F269-F320 HydrophobicContact CB-CG 4.04Å; F269-F320 HydrophobicContact CD1-CD1 4.3Å; F269-F320 HydrophobicContact CD1-CD2 4.38Å; F269-F320 HydrophobicContact CD1-CG 4.14Å; F269-F320 HydrophobicContact CD2-CB 3.55Å; F269-F320 HydrophobicContact CD2-CG 4.06Å; F269-F320 HydrophobicContact CE1-CD1 4.43Å; F269-F320 HydrophobicContact CE2-CB 4.08Å; F269-F320 HydrophobicContact CG-CB 3.81Å; F269-F320 HydrophobicContact CG-CD1 4.4Å; F269-F320 HydrophobicContact CG-CD2 4.07Å; F269-F320 AromaticContact CG-CG 3.83Å; F269-F320 HydrophobicContact CG-CG 3.83Å; S316-F320 PolarHBondContact O-N 2.63Å; L317-F320 CarbonylContact O-C 3.59Å; F320-I322 PolarHBondContact O-N 3.16Å; F320-I322 VanDerWaalsContact O-N 3.11Å; F320-W352 HydrophobicContact CD1-CH2 4.47Å; F320-W352 HydrophobicContact CD1-CZ3 4.32Å; F320-F429 HydrophobicContact CD1-CZ 4.32Å; F320-F429 HydrophobicContact CE1-CE1 4.28Å; F320-F429 HydrophobicContact CE1-CE2 4.42Å; F320-F429 AromaticContact CE1-CZ 3.56Å; F320-F429 HydrophobicContact CE1-CZ 3.56Å; F320-F429 AromaticContact CZ-CE1 3.95Å; F320-F429 HydrophobicContact CZ-CE1 3.95Å; F320-F429 AromaticContact CZ-CZ 3.68Å; F320-F429 HydrophobicContact CZ-CZ 3.68Å; F320-M431 HydrophobicContact CD1-CE 4.49Å; F320-M431 HydrophobicContact CD1-SD 4.2Å; F320-M431 HydrophobicContact CE1-SD 4.09Å
321P94.9Very high96.2Very high0 Ų015 Ų150%08%0.079CC..  trans-73.3102.8175.829.9-33.4000109.7L317 R318 L319 A323 A324 W352 L437L317-P321 WeakPolarHBondContact O-CA 3.48Å; R318-P321 WeakPolarHBondContact O-CD 3.48Å; L319-P321 VanDerWaalsContact C-CD 3.44Å; L319-P321 WeakPolarHBondContact O-CD 3.42Å; P321-A323 CarbonylContact O-C 3.54Å; P321-A323 VanDerWaalsContact O-C 3.26Å; P321-A323 PolarHBondContact O-N 3.18Å; P321-A324 PolarHBondContact O-N 3.08Å; P321-W352 HydrophobicContact CG-CE3 4.16Å; P321-L437 HydrophobicContact CG-CD1 4.34Å; P321-L437 WeakPolarHBondContact O-CD1 3.36Å
322I93.8Very high96.2Very high11 Ų1116.4 Ų16.46%0.0569%0.091CC..SBendtrans-48.5-40.1-175.1-54.5-55.5000112.5T262 S266 F269 F320 L436 L437T262-I322 HydrophobicContact CG2-CG2 4.09Å; S266-I322 VanDerWaalsContact OG-CG1 3.27Å; S266-I322 WeakPolarHBondContact OG-CG1 3.23Å; F269-I322 HydrophobicContact CD2-CD1 3.82Å; F269-I322 HydrophobicContact CE2-CD1 3.7Å; F320-I322 PolarHBondContact O-N 3.16Å; F320-I322 VanDerWaalsContact O-N 3.11Å; I322-L436 HydrophobicContact CG2-CB 4Å; I322-L436 HydrophobicContact CG2-CD1 4.19Å; I322-L436 HydrophobicContact CG2-CD2 4.29Å; I322-L436 HydrophobicContact CG2-CG 4.39Å; I322-L437 PolarHBondContact O-N 2.86Å
323A92.1Very high96.1Very high39 Ų3920.3 Ų20.332%0.32212%0.118SC..SBendtrans-92.193.5165.700000110.7P321 R325 T351P321-A323 CarbonylContact O-C 3.54Å; P321-A323 VanDerWaalsContact O-C 3.26Å; P321-A323 PolarHBondContact O-N 3.18Å; A323-R325 VanDerWaalsContact C-N 3.26Å; A323-R325 PolarHBondContact O-N 2.9Å; A323-T351 PolarHBondContact O-OG1 3.01Å
324A91.8Very high96.1Very high2 Ų221.2 Ų21.22%0.01712%0.123CC..  trans-77.4-4.4-177.300000115F9 P321 T351 W352 L437F9-A324 HydrophobicContact CE2-CB 3.61Å; F9-A324 HydrophobicContact CZ-CB 3.95Å; P321-A324 PolarHBondContact O-N 3.08Å; A324-T351 VanDerWaalsContact CA-OG1 3.22Å; A324-T351 WeakPolarHBondContact CA-OG1 3.44Å; A324-T351 PolarHBondContact O-N 3.37Å; A324-T351 PolarHBondContact O-OG1 3.4Å; A324-W352 HydrophobicContact CB-CB 3.87Å; A324-W352 PolarHBondContact O-N 2.82Å; A324-L437 HydrophobicContact CB-CD1 4.14Å; A324-L437 HydrophobicContact CB-CD2 3.97Å; A324-L437 HydrophobicContact CB-CG 3.97Å
325R94.2Very high96Very high41 Ų4126.8 Ų26.816%0.15515%0.149CC..  trans-141.5143.4175.4-67.9171.6166.9175.35.2110.2F9 D13 A323 L348 V349 T351F9-R325 HydrophobicContact CD2-CG 4.29Å; F9-R325 HydrophobicContact CE2-CG 4.2Å; F9-R325 PolarHBondContact O-NH2 3.41Å; D13-R325 IonicContact OD1-CZ 3.25Å; D13-R325 IonicContact OD1-NE 3.98Å; D13-R325 IonicContact OD1-NH2 2.83Å; D13-R325 PolarHBondContact OD1-NH2 3.03Å; D13-R325 IonicContact OD2-CZ 3.4Å; D13-R325 IonicContact OD2-NE 3.56Å; D13-R325 PolarHBondContact OD2-NE 3.04Å; D13-R325 IonicContact OD2-NH2 3.54Å; D13-R325 PolarHBondContact OD2-NH2 3.01Å; A323-R325 VanDerWaalsContact C-N 3.26Å; A323-R325 PolarHBondContact O-N 2.9Å; R325-L348 HydrophobicContact CB-CD1 4.47Å; R325-L348 HydrophobicContact CB-CG 4.32Å; R325-L348 HydrophobicContact CG-CD1 4.15Å; R325-L348 HydrophobicContact CG-CD2 4.14Å; R325-L348 HydrophobicContact CG-CG 4.26Å; R325-V349 WeakPolarHBondContact CA-O 3.44Å; R325-T351 PolarHBondContact N-OG1 3.16Å
326L95.8Very high95.9Very high23 Ų2327.3 Ų27.312%0.1215%0.152CC..EExtended strand (participates in β ladder)trans-115130.7166.7-51.7170.4000108.8L46 L348 V349 T351 M387L46-L326 HydrophobicContact CD1-CD1 4.1Å; L326-L348 CarbonylContact O-C 3.5Å; L326-L348 WeakPolarHBondContact O-CA 3.25Å; L326-V349 HydrophobicContact CB-CB 4.2Å; L326-V349 PolarHBondContact N-O 3.34Å; L326-V349 PolarHBondContact O-N 2.76Å; L326-T351 HydrophobicContact CD1-CG2 3.79Å; L326-T351 HydrophobicContact CG-CG2 3.74Å; L326-M387 HydrophobicContact CD1-CB 4.11Å; L326-M387 HydrophobicContact CD1-SD 4.19Å
327E96.3Very high95.6Very high40 Ų4032.2 Ų32.219%0.18718%0.178CC..EExtended strand (participates in β ladder)trans-119.7143.9-177.2-63.8-174.6161.800112R58 V346 V347 L348R58-E327 VanDerWaalsContact CB-OE2 3.24Å; R58-E327 WeakPolarHBondContact CB-OE2 3.49Å; E327-V346 HydrophobicContact CB-CG1 4.18Å; E327-V346 HydrophobicContact CG-CG1 4.27Å; E327-V347 CarbonylContact C-O 3.26Å; E327-V347 WeakPolarHBondContact CA-O 3.4Å; E327-L348 HydrophobicContact CG-CG 4.41Å
328R97.4Very high95.3Very high7 Ų734.8 Ų34.83%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-134153.4166.6-64.6-59.7-175.9-84.2-9.1110.7I45 L46 F54 N56 V346 V347I45-R328 HydrophobicContact CG2-CB 4.37Å; I45-R328 HydrophobicContact CG2-CG 4.31Å; L46-R328 HydrophobicContact CD2-CG 3.85Å; F54-R328 HydrophobicContact CB-CB 3.95Å; F54-R328 HydrophobicContact CB-CG 4.18Å; F54-R328 HydrophobicContact CD1-CB 4.19Å; F54-R328 VanDerWaalsContact O-CD 3.23Å; F54-R328 WeakPolarHBondContact O-CD 3.38Å; N56-R328 CarbonylContact O-C 3.45Å; N56-R328 VanDerWaalsContact O-CA 3.23Å; N56-R328 WeakPolarHBondContact O-CA 3.27Å; R328-V346 CarbonylContact O-C 3.42Å; R328-V346 WeakPolarHBondContact O-CA 3.37Å; R328-V347 PolarHBondContact N-O 2.86Å; R328-V347 PolarHBondContact O-N 3.32Å
329V97.3Very high95.1Very high30 Ų3036.9 Ų36.918%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-109.6130173.8-1770000109.1N56 R58 K331 V346N56-V329 PolarHBondContact O-N 3.15Å; R58-V329 HydrophobicContact CB-CG2 4.33Å; V329-K331 PolarHBondContact O-N 3.05Å; V329-V346 HydrophobicContact CG2-CG2 4.23Å
330A97.4Very high95.1Very high0 Ų041.3 Ų41.30%024%0.243CC..  trans-72.3118.1174.500000110.4F54 A332 I341 P342 D344 M345F54-A330 HydrophobicContact CD1-CB 4.34Å; F54-A330 HydrophobicContact CE1-CB 3.74Å; F54-A330 HydrophobicContact CZ-CB 4.5Å; A330-A332 VanDerWaalsContact C-N 3.34Å; A330-I341 HydrophobicContact CB-CG2 3.85Å; A330-P342 WeakPolarHBondContact CB-O 3.03Å; A330-D344 WeakPolarHBondContact O-CA 3.35Å; A330-D344 PolarHBondContact O-N 3.4Å; A330-M345 PolarHBondContact N-O 3.44Å
331K96.1Very high95.2Very high61 Ų6140.2 Ų40.227%0.26524%0.239SC..SBendtrans-75.3-23.4179.1-70175.2171.5-179.30114.6F53 T55 D75 V329 K343F53-K331 WeakPolarHBondContact O-CG 3.44Å; F53-K331 PolarHBondContact O-N 2.96Å; T55-K331 VanDerWaalsContact CB-NZ 3.27Å; T55-K331 WeakPolarHBondContact OG1-CE 3.35Å; T55-K331 PolarHBondContact OG1-NZ 2.84Å; D75-K331 WeakPolarHBondContact OD1-CE 3.23Å; D75-K331 IonicContact OD1-NZ 3.31Å; D75-K331 PolarHBondContact OD1-NZ 3.49Å; V329-K331 PolarHBondContact O-N 3.05Å; K331-K343 WeakPolarHBondContact O-CD 3.31Å; K331-K343 WeakPolarHBondContact O-CE 3.4Å; K331-K343 WeakPolarHBondContact O-CG 3.42Å
332A96.7Very high95.3Very high36 Ų3643.3 Ų43.330%0.29826%0.259SS..SBendtrans-148.3160.1-179.900000108.8F53 A330 V334F53-A332 HydrophobicContact CD1-CB 4.14Å; F53-A332 HydrophobicContact CE1-CB 4.28Å; A330-A332 VanDerWaalsContact C-N 3.34Å; A332-V334 PolarHBondContact O-N 3.13Å
333S97.1Very high95.5Very high83 Ų8348.4 Ų48.458%0.5828%0.281SS*.  trans-66.5124.7171.7-59.60000109.2I341 K343S333-I341 CarbonylContact C-O 3.59Å; S333-I341 VanDerWaalsContact CA-O 3.27Å; S333-I341 WeakPolarHBondContact CA-O 3.23Å; S333-K343 PolarHBondContact OG-N 2.9Å; S333-K343 VanDerWaalsContact OG-N 3.11Å
334V96.9Very high95.6Very high19 Ų1951 Ų5112%0.11529%0.289CS..EExtended strand (participates in β ladder)trans-141.5145.1-175.162.60000110.1F53 F54 A332 I336 I341F53-V334 HydrophobicContact CB-CG1 4.35Å; F53-V334 HydrophobicContact CD1-CB 4.24Å; F53-V334 HydrophobicContact CD1-CG2 4.45Å; F53-V334 HydrophobicContact CD2-CB 4.47Å; F53-V334 HydrophobicContact CD2-CG2 3.91Å; F53-V334 HydrophobicContact CE1-CB 4.45Å; F53-V334 HydrophobicContact CE1-CG2 4.44Å; F53-V334 HydrophobicContact CE2-CG2 3.91Å; F53-V334 HydrophobicContact CG-CB 4.25Å; F53-V334 HydrophobicContact CG-CG1 4.32Å; F53-V334 HydrophobicContact CG-CG2 4.2Å; F53-V334 HydrophobicContact CZ-CG2 4.19Å; F54-V334 HydrophobicContact CE2-CG1 4.04Å; F54-V334 HydrophobicContact CZ-CG1 3.71Å; A332-V334 PolarHBondContact O-N 3.13Å; V334-I336 HydrophobicContact CG1-CG1 4.22Å; V334-I336 HydrophobicContact CG2-CD1 3.89Å; V334-I336 HydrophobicContact CG2-CG1 4.3Å; V334-I341 HydrophobicContact CG1-CB 4.33Å; V334-I341 PolarHBondContact N-O 2.88Å; V334-I341 PolarHBondContact O-N 3.47Å
335E96.8Very high95.8Very high133 Ų13352.2 Ų52.262%0.62130%0.295SS*.EExtended strand (participates in β ladder)trans-98123.6171.4-170-177.3149.100109.8G338 L339 V340E335-G338 WeakPolarHBondContact OE1-CA 3.49Å; E335-L339 WeakPolarHBondContact CA-O 3.45Å; E335-V340 HydrophobicContact CG-CG2 4.3Å
336I94.8Very high95.9Very high12 Ų1250.3 Ų50.36%0.06229%0.288CS..EExtended strand (participates in β ladder)trans-123.6116.7177.1-57.6-65.2000107.8I41 A44 E49 F54 V334 G338 L339 I341I41-I336 HydrophobicContact CG2-CG2 4.02Å; A44-I336 HydrophobicContact CB-CG2 3.56Å; E49-I336 HydrophobicContact CG-CD1 3.98Å; F54-I336 HydrophobicContact CE2-CD1 4.33Å; F54-I336 HydrophobicContact CE2-CG1 4.16Å; F54-I336 HydrophobicContact CZ-CG1 4.4Å; V334-I336 HydrophobicContact CG1-CG1 4.22Å; V334-I336 HydrophobicContact CG2-CD1 3.89Å; V334-I336 HydrophobicContact CG2-CG1 4.3Å; I336-G338 VanDerWaalsContact C-N 3.28Å; I336-G338 PolarHBondContact O-N 3.29Å; I336-L339 PolarHBondContact N-O 3.18Å; I336-L339 VanDerWaalsContact O-CB 3.28Å; I336-L339 WeakPolarHBondContact O-CB 3.43Å; I336-L339 PolarHBondContact O-N 3.46Å; I336-I341 HydrophobicContact CB-CD1 4.35Å; I336-I341 HydrophobicContact CG1-CD1 4.16Å
337N91.3Very high96Very high105 Ų10549.3 Ų49.356%0.56128%0.282SS*.THydrogen-bonded Turntrans49.844.3179.1-62.220.1000113.5I41 L339I41-N337 HydrophobicContact CD1-CB 4.47Å; I41-N337 HydrophobicContact CG1-CB 4.02Å; N337-L339 VanDerWaalsContact C-N 3.27Å; N337-L339 PolarHBondContact O-N 2.98Å
338G90.9Very high96.1Very high60 Ų6047.5 Ų47.562%0.61927%0.274SS*.THydrogen-bonded Turntrans80.40.1-178.900000115E335 I336E335-G338 WeakPolarHBondContact OE1-CA 3.49Å; I336-G338 VanDerWaalsContact C-N 3.28Å; I336-G338 PolarHBondContact O-N 3.29Å
339L94.1Very high96.1Very high45 Ų4547.2 Ų47.224%0.23627%0.273CS..EExtended strand (participates in β ladder)trans-101.9116.1177.2-169.674000110.6I23 L34 E335 I336 N337 I341I23-L339 HydrophobicContact CG2-CD2 4.41Å; L34-L339 HydrophobicContact CD1-CD2 4.15Å; L34-L339 HydrophobicContact CD2-CD2 3.35Å; L34-L339 HydrophobicContact CD2-CG 4.38Å; L34-L339 HydrophobicContact CG-CD2 4.28Å; E335-L339 WeakPolarHBondContact CA-O 3.45Å; I336-L339 PolarHBondContact N-O 3.18Å; I336-L339 VanDerWaalsContact O-CB 3.28Å; I336-L339 WeakPolarHBondContact O-CB 3.43Å; I336-L339 PolarHBondContact O-N 3.46Å; N337-L339 VanDerWaalsContact C-N 3.27Å; N337-L339 PolarHBondContact O-N 2.98Å; L339-I341 HydrophobicContact CD2-CD1 4.46Å; L339-I341 HydrophobicContact CD2-CG1 4.23Å; L339-I341 HydrophobicContact CG-CG1 4.35Å; L339-I341 PolarHBondContact O-N 3.29Å
340V96.4Very high96Very high98 Ų9845.8 Ų45.859%0.59426%0.264SS*.EExtended strand (participates in β ladder)trans-79.8114.4173.8-177.70000109.3E335 P342E335-V340 HydrophobicContact CG-CG2 4.3Å; V340-P342 WeakPolarHBondContact O-CD 3.45Å
341I97.3Very high95.9Very high0 Ų045.8 Ų45.80%026%0.264CS..EExtended strand (participates in β ladder)trans-104.1109.4177.4-56.3174.7000107.5L34 I45 F54 A330 S333 V334 I336 L339 M345 V347L34-I341 HydrophobicContact CD2-CD1 3.94Å; L34-I341 HydrophobicContact CD2-CG1 3.8Å; I45-I341 HydrophobicContact CD1-CD1 4.04Å; F54-I341 HydrophobicContact CE1-CD1 4.39Å; F54-I341 HydrophobicContact CE1-CG2 4.32Å; F54-I341 HydrophobicContact CZ-CD1 3.86Å; F54-I341 HydrophobicContact CZ-CG2 4.46Å; A330-I341 HydrophobicContact CB-CG2 3.85Å; S333-I341 CarbonylContact C-O 3.59Å; S333-I341 VanDerWaalsContact CA-O 3.27Å; S333-I341 WeakPolarHBondContact CA-O 3.23Å; V334-I341 HydrophobicContact CG1-CB 4.33Å; V334-I341 PolarHBondContact N-O 2.88Å; V334-I341 PolarHBondContact O-N 3.47Å; I336-I341 HydrophobicContact CB-CD1 4.35Å; I336-I341 HydrophobicContact CG1-CD1 4.16Å; L339-I341 HydrophobicContact CD2-CD1 4.46Å; L339-I341 HydrophobicContact CD2-CG1 4.23Å; L339-I341 HydrophobicContact CG-CG1 4.35Å; L339-I341 PolarHBondContact O-N 3.29Å; I341-M345 HydrophobicContact CG2-CB 4.2Å; I341-M345 HydrophobicContact CG2-SD 4.26Å; I341-V347 HydrophobicContact CD1-CG2 4.19Å; I341-V347 HydrophobicContact CG2-CG2 4.02Å
342P97.3Very high95.9Very high64 Ų6443.7 Ų43.742%0.41626%0.255SS..  trans-65154.8178.7-22.234.3000112.9A330 V340 M345A330-P342 WeakPolarHBondContact CB-O 3.03Å; V340-P342 WeakPolarHBondContact O-CD 3.45Å; P342-M345 VanDerWaalsContact O-CB 3.23Å; P342-M345 WeakPolarHBondContact O-CB 3.47Å; P342-M345 PolarHBondContact O-N 3.14Å
343K96.9Very high95.8Very high119 Ų11942 Ų4252%0.51724%0.241SC..THydrogen-bonded Turntrans-51.2143.4168.5-177.5176.3176-170.90111.5K331 S333 M345K331-K343 WeakPolarHBondContact O-CD 3.31Å; K331-K343 WeakPolarHBondContact O-CE 3.4Å; K331-K343 WeakPolarHBondContact O-CG 3.42Å; S333-K343 PolarHBondContact OG-N 2.9Å; S333-K343 VanDerWaalsContact OG-N 3.11Å; K343-M345 PolarHBondContact O-N 2.88Å; K343-M345 VanDerWaalsContact O-N 3.14Å
344D94.9Very high95.8Very high92 Ų9238 Ų3849%0.49221%0.213SC..THydrogen-bonded Turntrans65.73.6179.3-52.3-39.1000114.7Q31 A330Q31-D344 PolarHBondContact NE2-O 2.88Å; A330-D344 WeakPolarHBondContact O-CA 3.35Å; A330-D344 PolarHBondContact O-N 3.4Å
345M96Very high95.7Very high29 Ų2937.1 Ų37.114%0.14321%0.207CC..PPolyproline II helixtrans-71.1136.8172-164.5178.6-160.600110.5P32 L34 A330 I341 P342 K343P32-M345 HydrophobicContact CB-CE 4.11Å; P32-M345 HydrophobicContact CB-CG 4.18Å; P32-M345 HydrophobicContact CG-CG 4.23Å; L34-M345 HydrophobicContact CB-CE 3.55Å; L34-M345 HydrophobicContact CB-CG 4.49Å; L34-M345 HydrophobicContact CB-SD 3.83Å; A330-M345 PolarHBondContact N-O 3.44Å; I341-M345 HydrophobicContact CG2-CB 4.2Å; I341-M345 HydrophobicContact CG2-SD 4.26Å; P342-M345 VanDerWaalsContact O-CB 3.23Å; P342-M345 WeakPolarHBondContact O-CB 3.47Å; P342-M345 PolarHBondContact O-N 3.14Å; K343-M345 PolarHBondContact O-N 2.88Å; K343-M345 VanDerWaalsContact O-N 3.14Å
346V97Very high95.7Very high1 Ų131.1 Ų31.11%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-83.3128172176.10000108.2Q31 P32 V33 L34 R58 E327 R328 V329Q31-V346 HydrophobicContact CG-CG2 3.78Å; P32-V346 PolarHBondContact O-N 2.78Å; V33-V346 CarbonylContact C-O 3.26Å; V33-V346 VanDerWaalsContact CA-O 3.28Å; V33-V346 WeakPolarHBondContact CA-O 3.48Å; V33-V346 HydrophobicContact CB-CB 4.46Å; V33-V346 HydrophobicContact CG1-CB 4.26Å; V33-V346 HydrophobicContact CG1-CG1 4.09Å; V33-V346 HydrophobicContact CG2-CB 4.12Å; L34-V346 PolarHBondContact N-O 3Å; R58-V346 HydrophobicContact CB-CG2 4.41Å; R58-V346 HydrophobicContact CG-CG2 4.13Å; E327-V346 HydrophobicContact CB-CG1 4.18Å; E327-V346 HydrophobicContact CG-CG1 4.27Å; R328-V346 CarbonylContact O-C 3.42Å; R328-V346 WeakPolarHBondContact O-CA 3.37Å; V329-V346 HydrophobicContact CG2-CG2 4.23Å
347V97.6Very high95.7Very high2 Ų231 Ų311%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-98123165.8-172.10000108.3L34 V36 I45 F54 E327 R328 I341L34-V347 HydrophobicContact CD2-CG2 4.48Å; L34-V347 CarbonylContact O-C 3.49Å; L34-V347 WeakPolarHBondContact O-CA 3.42Å; V36-V347 HydrophobicContact CB-CG1 4.36Å; V36-V347 HydrophobicContact CG2-CG1 3.73Å; I45-V347 HydrophobicContact CD1-CB 4.23Å; I45-V347 HydrophobicContact CD1-CG1 3.41Å; I45-V347 VanDerWaalsContact CD1-CG1 3.41Å; I45-V347 HydrophobicContact CD1-CG2 4.18Å; I45-V347 HydrophobicContact CG2-CB 4.43Å; I45-V347 HydrophobicContact CG2-CG1 4.28Å; F54-V347 HydrophobicContact CD1-CG2 4.2Å; F54-V347 HydrophobicContact CE1-CG2 3.63Å; F54-V347 HydrophobicContact CZ-CG2 4.46Å; E327-V347 CarbonylContact C-O 3.26Å; E327-V347 WeakPolarHBondContact CA-O 3.4Å; R328-V347 PolarHBondContact N-O 2.86Å; R328-V347 PolarHBondContact O-N 3.32Å; I341-V347 HydrophobicContact CD1-CG2 4.19Å; I341-V347 HydrophobicContact CG2-CG2 4.02Å
348L97.1Very high95.9Very high1 Ų130 Ų301%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-111.3128180-178.4158.1000109.4V33 L34 C35 V36 R325 L326 E327 P350V33-L348 HydrophobicContact CG1-CB 3.62Å; V33-L348 HydrophobicContact CG1-CD1 4.02Å; L34-L348 PolarHBondContact O-N 3.33Å; C35-L348 CarbonylContact C-O 3.56Å; C35-L348 VanDerWaalsContact CA-O 3.28Å; C35-L348 WeakPolarHBondContact CA-O 3.48Å; C35-L348 HydrophobicContact CB-CD2 4.44Å; V36-L348 PolarHBondContact N-O 3.31Å; R325-L348 HydrophobicContact CB-CD1 4.47Å; R325-L348 HydrophobicContact CB-CG 4.32Å; R325-L348 HydrophobicContact CG-CD1 4.15Å; R325-L348 HydrophobicContact CG-CD2 4.14Å; R325-L348 HydrophobicContact CG-CG 4.26Å; L326-L348 CarbonylContact O-C 3.5Å; L326-L348 WeakPolarHBondContact O-CA 3.25Å; E327-L348 HydrophobicContact CG-CG 4.41Å; L348-P350 HydrophobicContact CD2-CB 3.96Å
349V97.4Very high95.9Very high2 Ų234.4 Ų34.41%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-101.6115.7170.2-176.70000108.4I42 L46 R325 L326 T351 L354 M387I42-V349 HydrophobicContact CD1-CG1 3.74Å; I42-V349 HydrophobicContact CG1-CG1 3.94Å; I42-V349 HydrophobicContact CG1-CG2 4.05Å; I42-V349 HydrophobicContact CG2-CG1 4.37Å; I42-V349 HydrophobicContact CG2-CG2 4.46Å; L46-V349 HydrophobicContact CD1-CG2 4.22Å; R325-V349 WeakPolarHBondContact CA-O 3.44Å; L326-V349 HydrophobicContact CB-CB 4.2Å; L326-V349 PolarHBondContact N-O 3.34Å; L326-V349 PolarHBondContact O-N 2.76Å; V349-T351 PolarHBondContact O-N 2.94Å; V349-T351 VanDerWaalsContact O-N 3.15Å; V349-L354 HydrophobicContact CG1-CD1 3.84Å; V349-M387 HydrophobicContact CG1-CE 3.5Å
350P96.1Very high95.8Very high0 Ų035.1 Ų35.10%019%0.186CC..  trans-85.885.4-173.235.1-33.5000109.6D13 W24 V36 A37 L348 W352 P353 L354D13-P350 HydrophobicContact CB-CB 4.43Å; W24-P350 HydrophobicContact CH2-CB 3.94Å; W24-P350 HydrophobicContact CH2-CG 3.5Å; W24-P350 VanDerWaalsContact CH2-CG 3.5Å; W24-P350 HydrophobicContact CZ2-CB 4.39Å; W24-P350 HydrophobicContact CZ2-CG 4.33Å; W24-P350 HydrophobicContact CZ3-CG 4.11Å; V36-P350 WeakPolarHBondContact O-CD 3.36Å; A37-P350 HydrophobicContact CB-CG 4.11Å; L348-P350 HydrophobicContact CD2-CB 3.96Å; P350-W352 VanDerWaalsContact C-N 3.32Å; P350-W352 PolarHBondContact O-N 2.99Å; P350-P353 HydrophobicContact CB-CB 4.49Å; P350-P353 HydrophobicContact CB-CG 3.96Å; P350-P353 WeakPolarHBondContact O-CD 3.3Å; P350-L354 WeakPolarHBondContact O-CB 3.44Å; P350-L354 WeakPolarHBondContact O-CG 3.43Å; P350-L354 PolarHBondContact O-N 3.34Å; P350-L354 VanDerWaalsContact O-N 3.12Å
351T95.8Very high95.7Very high0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-64.6-36.5-175.8550000112.1A323 A324 R325 L326 V349 L354 H355 M387A323-T351 PolarHBondContact O-OG1 3.01Å; A324-T351 VanDerWaalsContact CA-OG1 3.22Å; A324-T351 WeakPolarHBondContact CA-OG1 3.44Å; A324-T351 PolarHBondContact O-N 3.37Å; A324-T351 PolarHBondContact O-OG1 3.4Å; R325-T351 PolarHBondContact N-OG1 3.16Å; L326-T351 HydrophobicContact CD1-CG2 3.79Å; L326-T351 HydrophobicContact CG-CG2 3.74Å; V349-T351 PolarHBondContact O-N 2.94Å; V349-T351 VanDerWaalsContact O-N 3.15Å; T351-L354 PolarHBondContact O-N 3.08Å; T351-H355 VanDerWaalsContact O-CB 3.28Å; T351-H355 WeakPolarHBondContact O-CB 3.48Å; T351-H355 PolarHBondContact O-CD2 3.11Å; T351-H355 PolarHBondContact O-N 2.94Å; T351-M387 HydrophobicContact CG2-CB 4.23Å; T351-M387 HydrophobicContact CG2-CE 4.43Å
352W94.8Very high95.5Very high16 Ų1635.4 Ų35.46%0.06119%0.189CC..Hα-helixtrans-60.2-52.2178.1173.5-84.5000113.3F10 L319 F320 P321 A324 P350 H355 R356 M431 L437F10-W352 HydrophobicContact CB-CB 4.25Å; F10-W352 HydrophobicContact CB-CD2 4.03Å; F10-W352 HydrophobicContact CB-CG 3.77Å; F10-W352 HydrophobicContact CD2-CD2 4.48Å; F10-W352 AromaticContact CD2-CE2 3.9Å; F10-W352 AromaticContact CD2-CZ2 3.99Å; F10-W352 HydrophobicContact CD2-CZ2 3.99Å; L319-W352 VanDerWaalsContact O-CZ3 3.25Å; L319-W352 WeakPolarHBondContact O-CZ3 3.48Å; F320-W352 HydrophobicContact CD1-CH2 4.47Å; F320-W352 HydrophobicContact CD1-CZ3 4.32Å; P321-W352 HydrophobicContact CG-CE3 4.16Å; A324-W352 HydrophobicContact CB-CB 3.87Å; A324-W352 PolarHBondContact O-N 2.82Å; P350-W352 VanDerWaalsContact C-N 3.32Å; P350-W352 PolarHBondContact O-N 2.99Å; W352-H355 PolarHBondContact O-N 3.37Å; W352-R356 VanDerWaalsContact CD2-NH1 3.35Å; W352-R356 PolarHBondContact O-N 2.9Å; W352-M431 HydrophobicContact CH2-CE 4.42Å; W352-M431 HydrophobicContact CZ3-CE 4.48Å; W352-L437 HydrophobicContact CE3-CD1 3.46Å; W352-L437 VanDerWaalsContact CE3-CD1 3.46Å; W352-L437 HydrophobicContact CE3-CD2 4.44Å; W352-L437 HydrophobicContact CZ3-CD1 3.43Å; W352-L437 VanDerWaalsContact CZ3-CD1 3.43Å; W352-L437 HydrophobicContact CZ3-CD2 4.49Å
353P95.5Very high95.4Very high0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-61.8-42.9172.2-27.235.1000114.7D13 Y17 P350 H355 R356 D357D13-P353 HydrophobicContact CB-CG 3.6Å; Y17-P353 HydrophobicContact CD1-CB 4.03Å; Y17-P353 HydrophobicContact CG-CB 3.99Å; P350-P353 HydrophobicContact CB-CB 4.49Å; P350-P353 HydrophobicContact CB-CG 3.96Å; P350-P353 WeakPolarHBondContact O-CD 3.3Å; P353-H355 VanDerWaalsContact C-N 3.29Å; P353-H355 PolarHBondContact O-N 3.35Å; P353-R356 CarbonylContact O-C 3.47Å; P353-R356 WeakPolarHBondContact O-CA 3.35Å; P353-R356 PolarHBondContact O-N 2.96Å; P353-D357 PolarHBondContact O-N 3.08Å
354L96.1Very high95.3Very high0 Ų032 Ų320%017%0.171CC..Hα-helixtrans-59.7-40.8179-82.3171.4000112.3A37 I42 V349 P350 T351 R356 D357 I360 W361 M387A37-L354 HydrophobicContact CB-CD2 3.82Å; A37-L354 HydrophobicContact CB-CG 4.13Å; A37-L354 WeakPolarHBondContact O-CD2 3.38Å; I42-L354 HydrophobicContact CD1-CD1 3.83Å; V349-L354 HydrophobicContact CG1-CD1 3.84Å; P350-L354 WeakPolarHBondContact O-CB 3.44Å; P350-L354 WeakPolarHBondContact O-CG 3.43Å; P350-L354 PolarHBondContact O-N 3.34Å; P350-L354 VanDerWaalsContact O-N 3.12Å; T351-L354 PolarHBondContact O-N 3.08Å; L354-R356 PolarHBondContact O-N 2.98Å; L354-D357 PolarHBondContact O-N 2.87Å; L354-I360 HydrophobicContact CD2-CD1 4.31Å; L354-W361 PolarHBondContact O-NE1 2.69Å; L354-M387 HydrophobicContact CD1-CE 3.95Å
355H96.6Very high95.3Very high0 Ų032.8 Ų32.80%017%0.172CC..THydrogen-bonded Turntrans-69.9-11.8177-73.1-163.1000112.9R318 T351 W352 P353 W361 T385 Y386 M387R318-H355 HydrophobicContact CG-CB 3.93Å; R318-H355 PolarHBondContact NH1-O 3.47Å; R318-H355 VanDerWaalsContact O-CB 3.23Å; R318-H355 WeakPolarHBondContact O-CB 2.9Å; R318-H355 PolarHBondContact O-ND1 3.48Å; R318-H355 VanDerWaalsContact O-ND1 3.1Å; T351-H355 VanDerWaalsContact O-CB 3.28Å; T351-H355 WeakPolarHBondContact O-CB 3.48Å; T351-H355 PolarHBondContact O-CD2 3.11Å; T351-H355 PolarHBondContact O-N 2.94Å; W352-H355 PolarHBondContact O-N 3.37Å; P353-H355 VanDerWaalsContact C-N 3.29Å; P353-H355 PolarHBondContact O-N 3.35Å; H355-W361 VanDerWaalsContact O-CD1 3.28Å; H355-T385 PolarHBondContact CD2-O 3.46Å; H355-T385 VanDerWaalsContact CD2-O 3.29Å; H355-Y386 AromaticContact CE1-CD2 3.92Å; H355-Y386 AromaticContact NE2-CD2 3.95Å; H355-M387 PolarHBondContact NE2-N 3.44Å
356R95.5Very high95.2Very high8 Ų836.9 Ų36.93%0.0319%0.189CC..THydrogen-bonded Turntrans-11911-179.4-75.5179.1167.370.51.9113.8L319 W352 P353 L354 P358 P364 E365L319-R356 PolarHBondContact O-NH1 2.74Å; L319-R356 PolarHBondContact O-NH2 3.27Å; W352-R356 VanDerWaalsContact CD2-NH1 3.35Å; W352-R356 PolarHBondContact O-N 2.9Å; P353-R356 CarbonylContact O-C 3.47Å; P353-R356 WeakPolarHBondContact O-CA 3.35Å; P353-R356 PolarHBondContact O-N 2.96Å; L354-R356 PolarHBondContact O-N 2.98Å; R356-P358 VanDerWaalsContact O-CD 3.32Å; R356-P358 WeakPolarHBondContact O-CD 3.17Å; R356-P364 HydrophobicContact CB-CB 4.3Å; R356-P364 VanDerWaalsContact O-CB 3.3Å; R356-P364 WeakPolarHBondContact O-CB 3.31Å; R356-P364 WeakPolarHBondContact O-CG 3.29Å; R356-E365 WeakPolarHBondContact CD-OE1 3.37Å; R356-E365 IonicContact CZ-OE2 3.16Å; R356-E365 IonicContact NE-OE1 3.76Å; R356-E365 PolarHBondContact NE-OE1 2.82Å; R356-E365 IonicContact NE-OE2 3.31Å; R356-E365 PolarHBondContact NE-OE2 2.65Å; R356-E365 IonicContact NH2-OE2 2.82Å
357D95.4Very high95.2Very high8 Ų837.5 Ų37.54%0.04319%0.191CC..  trans-68118.4177.8-171-18.8000109.8Y17 P353 L354 E359 I360 W361Y17-D357 HydrophobicContact CE1-CB 4.15Å; Y17-D357 WeakPolarHBondContact CE1-OD2 3.38Å; Y17-D357 PolarHBondContact OH-OD2 2.99Å; P353-D357 PolarHBondContact O-N 3.08Å; L354-D357 PolarHBondContact O-N 2.87Å; D357-E359 PolarHBondContact O-N 2.79Å; D357-E359 WeakPolarHBondContact OD1-CB 3.23Å; D357-E359 PolarHBondContact OD1-N 2.8Å; D357-I360 HydrophobicContact CB-CB 4.21Å; D357-I360 HydrophobicContact CB-CD1 3.84Å; D357-I360 HydrophobicContact CB-CG1 3.96Å; D357-I360 PolarHBondContact O-N 3.44Å; D357-I360 VanDerWaalsContact O-N 3.15Å; D357-W361 PolarHBondContact O-N 3.23Å
358P94.4Very high95.1Very high85 Ų8540.2 Ų40.255%0.55220%0.203SC*.THydrogen-bonded Turntrans-64.9-20.3177.828.1-36000113.9R356 I360 P364R356-P358 VanDerWaalsContact O-CD 3.32Å; R356-P358 WeakPolarHBondContact O-CD 3.17Å; P358-I360 VanDerWaalsContact C-N 3.33Å; P358-P364 HydrophobicContact CB-CG 4.35Å
359E92.3Very high94.9Very high153 Ų15340.3 Ų40.372%0.71520%0.203SC*.THydrogen-bonded Turntrans-70.5-32.2173.9-63.4-172.5171.100111.7D357D357-E359 PolarHBondContact O-N 2.79Å; D357-E359 WeakPolarHBondContact OD1-CB 3.23Å; D357-E359 PolarHBondContact OD1-N 2.8Å
360I91.6Very high94.4Very high60 Ų6044.4 Ų44.431%0.30822%0.223SC..THydrogen-bonded Turntrans-93.9-38.8-179.4-52.5173.8000110.3L354 D357 P358 T385L354-I360 HydrophobicContact CD2-CD1 4.31Å; D357-I360 HydrophobicContact CB-CB 4.21Å; D357-I360 HydrophobicContact CB-CD1 3.84Å; D357-I360 HydrophobicContact CB-CG1 3.96Å; D357-I360 PolarHBondContact O-N 3.44Å; D357-I360 VanDerWaalsContact O-N 3.15Å; P358-I360 VanDerWaalsContact C-N 3.33Å; I360-T385 HydrophobicContact CD1-CG2 3.8Å
361W94.1Very high93.7Very high8 Ų847.7 Ų47.73%0.0325%0.245CC..SBendtrans-126.693.5-172.6-48.399000110.8R318 L354 H355 D357 E363 P364 R372 F373 I381 Y386R318-W361 VanDerWaalsContact CD-CE3 3.48Å; R318-W361 HydrophobicContact CG-CZ2 4.35Å; L354-W361 PolarHBondContact O-NE1 2.69Å; H355-W361 VanDerWaalsContact O-CD1 3.28Å; D357-W361 PolarHBondContact O-N 3.23Å; W361-E363 PolarHBondContact O-N 2.88Å; W361-P364 HydrophobicContact CB-CB 4.18Å; W361-P364 WeakPolarHBondContact O-CB 3.31Å; W361-P364 VanDerWaalsContact O-CD 3.22Å; W361-P364 WeakPolarHBondContact O-CD 3.26Å; W361-R372 HydrophobicContact CE3-CG 4.3Å; W361-R372 HydrophobicContact CZ3-CB 4.44Å; W361-F373 HydrophobicContact CH2-CE1 4.47Å; W361-F373 AromaticContact CH2-CZ 3.93Å; W361-F373 HydrophobicContact CH2-CZ 3.93Å; W361-F373 HydrophobicContact CZ3-CE2 4.33Å; W361-F373 HydrophobicContact CZ3-CZ 4.05Å; W361-I381 HydrophobicContact CH2-CD1 4.01Å; W361-I381 HydrophobicContact CH2-CG1 4.3Å; W361-I381 HydrophobicContact CH2-CG2 3.95Å; W361-I381 HydrophobicContact CZ3-CD1 4.09Å; W361-I381 HydrophobicContact CZ3-CG1 4.46Å; W361-Y386 HydrophobicContact CH2-CD2 4.43Å; W361-Y386 HydrophobicContact CH2-CG 4.47Å; W361-Y386 HydrophobicContact CZ2-CD2 4.46Å
362P92.6Very high93.4Very high95 Ų9548.4 Ų48.462%0.61725%0.248SC*.SBendtrans-56132.2174-26.134.6000111.6R372P362-R372 PolarHBondContact O-NH2 3.24Å
363E94.9Very high93.3Very high89 Ų8947.8 Ų47.842%0.41625%0.246SC..SBendtrans52.759.9-172.5-62.1169.87700113W361 E365 K366 K368 R372W361-E363 PolarHBondContact O-N 2.88Å; E363-E365 PolarHBondContact O-N 3.41Å; E363-K366 HydrophobicContact CB-CD 4.27Å; E363-K366 HydrophobicContact CB-CG 4.41Å; E363-K366 PolarHBondContact O-N 3.04Å; E363-K366 VanDerWaalsContact OE1-CD 3.24Å; E363-K366 WeakPolarHBondContact OE1-CD 3.39Å; E363-K366 WeakPolarHBondContact OE1-CE 3.32Å; E363-K366 IonicContact OE1-NZ 2.68Å; E363-K366 PolarHBondContact OE1-NZ 3.14Å; E363-K368 IonicContact OE1-NZ 3.14Å; E363-K368 PolarHBondContact OE1-NZ 2.76Å; E363-K368 IonicContact OE2-NZ 3.44Å; E363-K368 PolarHBondContact OE2-NZ 3.25Å; E363-R372 VanDerWaalsContact C-NH2 3.3Å; E363-R372 PolarHBondContact O-NH2 3.35Å
364P95.3Very high92.9Very high22 Ų2249.5 Ų49.514%0.14326%0.258CS..THydrogen-bonded Turntrans-62.4-24.2-162.922.3-32.1000114.6R318 L319 R356 P358 W361R318-P364 VanDerWaalsContact CZ-O 3.28Å; R318-P364 PolarHBondContact NH1-O 3.23Å; R318-P364 PolarHBondContact NH2-O 3.4Å; L319-P364 WeakPolarHBondContact CD2-O 3.41Å; R356-P364 HydrophobicContact CB-CB 4.3Å; R356-P364 VanDerWaalsContact O-CB 3.3Å; R356-P364 WeakPolarHBondContact O-CB 3.31Å; R356-P364 WeakPolarHBondContact O-CG 3.29Å; P358-P364 HydrophobicContact CB-CG 4.35Å; W361-P364 HydrophobicContact CB-CB 4.18Å; W361-P364 WeakPolarHBondContact O-CB 3.31Å; W361-P364 VanDerWaalsContact O-CD 3.22Å; W361-P364 WeakPolarHBondContact O-CD 3.26Å
365E94.4Very high92.1Very high109 Ų10956.1 Ų56.151%0.50929%0.287SS..THydrogen-bonded Turntrans-84.9-14.3-179.1-56.4-58.7162.400113.8R356 E363R356-E365 WeakPolarHBondContact CD-OE1 3.37Å; R356-E365 IonicContact CZ-OE2 3.16Å; R356-E365 IonicContact NE-OE1 3.76Å; R356-E365 PolarHBondContact NE-OE1 2.82Å; R356-E365 IonicContact NE-OE2 3.31Å; R356-E365 PolarHBondContact NE-OE2 2.65Å; R356-E365 IonicContact NH2-OE2 2.82Å; E363-E365 PolarHBondContact O-N 3.41Å
366K95.6Very high91.4Very high115 Ų11563.9 Ų63.950%0.532%0.32SS..SBendtrans-80.9143.4178.1-68.1-170.9-178.5172.40110.8R318 E363 K368 R372R318-K366 PolarHBondContact NH2-O 3.43Å; E363-K366 HydrophobicContact CB-CD 4.27Å; E363-K366 HydrophobicContact CB-CG 4.41Å; E363-K366 PolarHBondContact O-N 3.04Å; E363-K366 VanDerWaalsContact OE1-CD 3.24Å; E363-K366 WeakPolarHBondContact OE1-CD 3.39Å; E363-K366 WeakPolarHBondContact OE1-CE 3.32Å; E363-K366 IonicContact OE1-NZ 2.68Å; E363-K366 PolarHBondContact OE1-NZ 3.14Å; K366-K368 HydrophobicContact CB-CD 4.44Å; K366-K368 HydrophobicContact CB-CG 4.12Å; K366-K368 PolarHBondContact O-N 3.39Å; K366-R372 PolarHBondContact O-NH1 3.16Å
367F97Very high90.8Very high14 Ų1466.1 Ų66.16%0.06133%0.333CS..  trans-81.5104.9173.6-173-117.7000110.2N273 N277 I280 V312 E315 L319 P369N273-F367 HydrophobicContact CB-CD1 4.15Å; N273-F367 HydrophobicContact CB-CD2 4Å; N273-F367 HydrophobicContact CB-CE1 3.96Å; N273-F367 HydrophobicContact CB-CE2 3.83Å; N273-F367 HydrophobicContact CB-CG 4.18Å; N273-F367 HydrophobicContact CB-CZ 3.82Å; N277-F367 HydrophobicContact CB-CD1 4.24Å; I280-F367 HydrophobicContact CD1-CD1 3.59Å; I280-F367 HydrophobicContact CD1-CE1 4.07Å; I280-F367 WeakPolarHBondContact CD1-O 3.3Å; I280-F367 HydrophobicContact CG2-CD1 4.42Å; I280-F367 HydrophobicContact CG2-CE1 3.81Å; V312-F367 HydrophobicContact CG1-CE1 4.45Å; V312-F367 HydrophobicContact CG1-CZ 3.91Å; E315-F367 HydrophobicContact CB-CD2 4.28Å; E315-F367 HydrophobicContact CB-CE2 3.85Å; E315-F367 HydrophobicContact CG-CD2 3.39Å; E315-F367 HydrophobicContact CG-CE2 3.48Å; E315-F367 VanDerWaalsContact CG-CE2 3.48Å; E315-F367 HydrophobicContact CG-CG 4.21Å; E315-F367 HydrophobicContact CG-CZ 4.37Å; L319-F367 HydrophobicContact CD1-CB 4.03Å; L319-F367 HydrophobicContact CD1-CD2 3.71Å; L319-F367 HydrophobicContact CD1-CG 4.36Å; F367-P369 HydrophobicContact CD1-CG 4.2Å; F367-P369 HydrophobicContact CE1-CG 3.75Å; F367-P369 HydrophobicContact CE2-CG 4.28Å; F367-P369 HydrophobicContact CZ-CG 3.77Å
368K94.6Very high90Very high60 Ų6070.5 Ų70.526%0.26135%0.351SS..  trans-133.276-175.4-61.5-172.4-179.9-174.30113.7E315 E363 K366 E370 S371 R372E315-K368 PolarHBondContact OE1-N 3.25Å; E363-K368 IonicContact OE1-NZ 3.14Å; E363-K368 PolarHBondContact OE1-NZ 2.76Å; E363-K368 IonicContact OE2-NZ 3.44Å; E363-K368 PolarHBondContact OE2-NZ 3.25Å; K366-K368 HydrophobicContact CB-CD 4.44Å; K366-K368 HydrophobicContact CB-CG 4.12Å; K366-K368 PolarHBondContact O-N 3.39Å; K368-E370 PolarHBondContact O-N 3.19Å; K368-S371 WeakPolarHBondContact CB-OG 3.4Å; K368-R372 WeakPolarHBondContact O-CB 3.4Å; K368-R372 PolarHBondContact O-N 3.05Å
369P93.9Very high89.4Confident2 Ų274.6 Ų74.61%0.01336%0.363CS..Hα-helixtrans-59.8-45.1-176.9-26.536.6000114.2I280 Y308 V312 E315 F367 R372 F373I280-P369 HydrophobicContact CD1-CG 4.3Å; I280-P369 HydrophobicContact CG2-CG 4.04Å; Y308-P369 HydrophobicContact CE2-CB 4.16Å; V312-P369 HydrophobicContact CB-CG 4.42Å; V312-P369 HydrophobicContact CG2-CB 3.95Å; V312-P369 HydrophobicContact CG2-CG 3.94Å; E315-P369 HydrophobicContact CB-CB 4.21Å; E315-P369 HydrophobicContact CB-CG 4.01Å; E315-P369 HydrophobicContact CG-CG 4.03Å; F367-P369 HydrophobicContact CD1-CG 4.2Å; F367-P369 HydrophobicContact CE1-CG 3.75Å; F367-P369 HydrophobicContact CE2-CG 4.28Å; F367-P369 HydrophobicContact CZ-CG 3.77Å; P369-R372 PolarHBondContact O-N 3.1Å; P369-F373 PolarHBondContact O-N 2.95Å
370E85.5Confident89Confident89 Ų8973.5 Ų73.542%0.41636%0.362SS..Hα-helixtrans-65.7-44.8-172.1-62.8179.9-163.600113.3K283 Y308 K368 R372 S374K283-E370 WeakPolarHBondContact CD-OE1 3.14Å; K283-E370 WeakPolarHBondContact CE-OE1 3.24Å; K283-E370 IonicContact NZ-OE1 3.91Å; K283-E370 PolarHBondContact NZ-OE1 2.81Å; K283-E370 IonicContact NZ-OE2 3.78Å; K283-E370 PolarHBondContact NZ-OE2 3.46Å; Y308-E370 HydrophobicContact CD2-CG 4.19Å; Y308-E370 HydrophobicContact CE2-CG 3.29Å; Y308-E370 PolarHBondContact OH-OE1 2.76Å; K368-E370 PolarHBondContact O-N 3.19Å; E370-R372 VanDerWaalsContact C-N 3.3Å; E370-S374 VanDerWaalsContact O-CB 3.27Å; E370-S374 WeakPolarHBondContact O-CB 3.22Å
371S82.3Confident88.8Confident68 Ų6872.2 Ų72.248%0.47636%0.356SS..Hα-helixtrans-78.9-17.5-176.661.60000112.5K368 N377K368-S371 WeakPolarHBondContact CB-OG 3.4Å; S371-N377 PolarHBondContact O-ND2 2.68Å
372R89.8Confident88.7Confident15 Ų1574.4 Ų74.46%0.05737%0.368CS..Hα-helixtrans-103.3-51.7-175.5-71178.5174.8142.70.3112.6E315 W361 P362 E363 K366 K368 P369 E370 N377E315-R372 IonicContact OE1-CZ 2.72Å; E315-R372 IonicContact OE1-NH1 2.71Å; E315-R372 PolarHBondContact OE1-NH1 3.42Å; E315-R372 WeakPolarHBondContact OE2-CD 3.36Å; E315-R372 IonicContact OE2-NH1 3.94Å; W361-R372 HydrophobicContact CE3-CG 4.3Å; W361-R372 HydrophobicContact CZ3-CB 4.44Å; P362-R372 PolarHBondContact O-NH2 3.24Å; E363-R372 VanDerWaalsContact C-NH2 3.3Å; E363-R372 PolarHBondContact O-NH2 3.35Å; K366-R372 PolarHBondContact O-NH1 3.16Å; K368-R372 WeakPolarHBondContact O-CB 3.4Å; K368-R372 PolarHBondContact O-N 3.05Å; P369-R372 PolarHBondContact O-N 3.1Å; E370-R372 VanDerWaalsContact C-N 3.3Å; R372-N377 WeakPolarHBondContact O-CB 3.49Å
373F91.9Very high88.7Confident4 Ų473.5 Ų73.52%0.01836%0.362CS..Hα-helixtrans-110.718.7-169.4-68.6-78.4000114S311 N314 E315 R318 W361 P369 I381 Y386S311-F373 PolarHBondContact OG-O 2.89Å; S311-F373 VanDerWaalsContact OG-O 3.05Å; N314-F373 HydrophobicContact CB-CB 4.31Å; N314-F373 HydrophobicContact CB-CD1 3.64Å; N314-F373 HydrophobicContact CB-CD2 3.96Å; N314-F373 HydrophobicContact CB-CE1 3.85Å; N314-F373 HydrophobicContact CB-CE2 4.16Å; N314-F373 HydrophobicContact CB-CG 3.7Å; N314-F373 HydrophobicContact CB-CZ 4.1Å; E315-F373 HydrophobicContact CB-CD2 3.91Å; E315-F373 HydrophobicContact CB-CE2 4.13Å; E315-F373 WeakPolarHBondContact OE2-CE2 3.34Å; R318-F373 HydrophobicContact CB-CE2 4.19Å; R318-F373 HydrophobicContact CB-CZ 4.25Å; W361-F373 HydrophobicContact CH2-CE1 4.47Å; W361-F373 AromaticContact CH2-CZ 3.93Å; W361-F373 HydrophobicContact CH2-CZ 3.93Å; W361-F373 HydrophobicContact CZ3-CE2 4.33Å; W361-F373 HydrophobicContact CZ3-CZ 4.05Å; P369-F373 PolarHBondContact O-N 2.95Å; F373-I381 HydrophobicContact CD1-CD1 3.6Å; F373-I381 HydrophobicContact CE1-CD1 3.46Å; F373-I381 VanDerWaalsContact CE1-CD1 3.46Å; F373-I381 HydrophobicContact CG-CD1 4.42Å; F373-I381 HydrophobicContact CZ-CD1 4.18Å; F373-Y386 AromaticContact CE1-CD1 3.93Å; F373-Y386 HydrophobicContact CE1-CD1 3.93Å; F373-Y386 HydrophobicContact CE1-CD2 4.28Å; F373-Y386 AromaticContact CE1-CE1 3.74Å; F373-Y386 HydrophobicContact CE1-CE1 3.74Å; F373-Y386 HydrophobicContact CE1-CE2 4.12Å; F373-Y386 HydrophobicContact CE1-CG 4.19Å; F373-Y386 AromaticContact CE1-CZ 3.83Å; F373-Y386 HydrophobicContact CZ-CD1 4.33Å; F373-Y386 AromaticContact CZ-CD2 3.85Å; F373-Y386 HydrophobicContact CZ-CD2 3.85Å; F373-Y386 HydrophobicContact CZ-CE1 4.13Å; F373-Y386 AromaticContact CZ-CE2 3.63Å; F373-Y386 HydrophobicContact CZ-CE2 3.63Å; F373-Y386 HydrophobicContact CZ-CG 4.19Å; F373-Y386 AromaticContact CZ-CZ 3.77Å
374S86.1Confident88.7Confident35 Ų3570.7 Ų70.725%0.24535%0.348CS..SBendtrans-57153.8168.864.10000111.4E370 K376 N377 K378E370-S374 VanDerWaalsContact O-CB 3.27Å; E370-S374 WeakPolarHBondContact O-CB 3.22Å; S374-K376 PolarHBondContact O-N 3.41Å; S374-N377 PolarHBondContact O-N 3.39Å; S374-N377 PolarHBondContact OG-N 3.07Å; S374-K378 VanDerWaalsContact O-CB 3.25Å; S374-K378 WeakPolarHBondContact O-CB 3.29Å; S374-K378 PolarHBondContact O-N 2.86Å
375K81.4Confident88.6Confident140 Ų14070 Ų7061%0.60934%0.343SS*.Hα-helixtrans-45.5-43.1177.4-86.1178.3155.9155.30113.2D307D307-K375 WeakPolarHBondContact OD1-CE 3.45Å; D307-K375 IonicContact OD1-NZ 2.8Å; D307-K375 PolarHBondContact OD1-NZ 2.89Å; D307-K375 WeakPolarHBondContact OD2-CE 3.47Å; D307-K375 IonicContact OD2-NZ 3.67Å; D307-K375 PolarHBondContact OD2-NZ 3.45Å
376K80.8Confident88.7Confident163 Ų16366.4 Ų66.471%0.70933%0.325SS*.Hα-helixtrans-67.5-51.9178.6-174.1-179.6177.5-176.50112.3S374 K378S374-K376 PolarHBondContact O-N 3.41Å; K376-K378 VanDerWaalsContact C-N 3.32Å; K376-K378 PolarHBondContact O-N 2.94Å
377N82.8Confident88.8Confident55 Ų5561.1 Ų61.129%0.29430%0.302SS..Hα-helixtrans-77.4-23-172.2-62-3.3000112.4S371 R372 S374 E379 D380 I381S371-N377 PolarHBondContact O-ND2 2.68Å; R372-N377 WeakPolarHBondContact O-CB 3.49Å; S374-N377 PolarHBondContact O-N 3.39Å; S374-N377 PolarHBondContact OG-N 3.07Å; N377-E379 VanDerWaalsContact C-N 3.25Å; N377-E379 PolarHBondContact O-N 3.32Å; N377-D380 PolarHBondContact O-N 2.71Å; N377-D380 VanDerWaalsContact O-N 3.12Å; N377-I381 PolarHBondContact O-N 2.71Å
378K79.2Confident88.7Confident99 Ų9961.3 Ų61.343%0.4331%0.305SS..Hα-helixtrans-63.8-30.2179-170.8177.8-177.9179.20112.8S374 K376 D380S374-K378 VanDerWaalsContact O-CB 3.25Å; S374-K378 WeakPolarHBondContact O-CB 3.29Å; S374-K378 PolarHBondContact O-N 2.86Å; K376-K378 VanDerWaalsContact C-N 3.32Å; K376-K378 PolarHBondContact O-N 2.94Å; K378-D380 VanDerWaalsContact C-N 3.29Å
379E80.7Confident88.8Confident171 Ų17160.4 Ų60.480%0.79930%0.301SS*.Hα-helixtrans-71.3-26.8176-65.9-176172.900112.3N377N377-E379 VanDerWaalsContact C-N 3.25Å; N377-E379 PolarHBondContact O-N 3.32Å
380D83.9Confident88.9Confident130 Ų13061 Ų6170%0.69531%0.307SS*.Hα-helixtrans-85.5-12.1179.4-62.6-34.7000113.1N377 K378 D382N377-D380 PolarHBondContact O-N 2.71Å; N377-D380 VanDerWaalsContact O-N 3.12Å; K378-D380 VanDerWaalsContact C-N 3.29Å; D380-D382 PolarHBondContact O-N 2.66Å
381I88.3Confident89.4Confident33 Ų3358 Ų5817%0.16930%0.295CS..SBendtrans-73.5118178.2-64.5171.3000109.3W361 F373 N377 P383W361-I381 HydrophobicContact CH2-CD1 4.01Å; W361-I381 HydrophobicContact CH2-CG1 4.3Å; W361-I381 HydrophobicContact CH2-CG2 3.95Å; W361-I381 HydrophobicContact CZ3-CD1 4.09Å; W361-I381 HydrophobicContact CZ3-CG1 4.46Å; F373-I381 HydrophobicContact CD1-CD1 3.6Å; F373-I381 HydrophobicContact CE1-CD1 3.46Å; F373-I381 VanDerWaalsContact CE1-CD1 3.46Å; F373-I381 HydrophobicContact CG-CD1 4.42Å; F373-I381 HydrophobicContact CZ-CD1 4.18Å; N377-I381 PolarHBondContact O-N 2.71Å; I381-P383 WeakPolarHBondContact O-CD 3.39Å
382D91.8Very high90Very high55 Ų5555.6 Ų55.629%0.29428%0.282SS..  trans-61.3119.6171.5-176.2-24.3000109.9P39 D380 Y384 T385 Y386P39-D382 VanDerWaalsContact CB-OD2 3.25Å; P39-D382 WeakPolarHBondContact CB-OD2 3.33Å; D380-D382 PolarHBondContact O-N 2.66Å; D382-Y384 PolarHBondContact O-N 3.35Å; D382-Y384 WeakPolarHBondContact OD1-CB 3.4Å; D382-Y384 WeakPolarHBondContact OD1-CD2 2.99Å; D382-Y384 PolarHBondContact OD1-N 3.34Å; D382-T385 HydrophobicContact CB-CG2 3.81Å; D382-T385 PolarHBondContact O-N 3Å; D382-T385 PolarHBondContact O-OG1 3.43Å; D382-Y386 PolarHBondContact O-N 3.5Å
383P92.4Very high90.4Very high75 Ų7556.5 Ų56.549%0.48729%0.289SS..THydrogen-bonded Turntrans-63-14.8-17827.6-36.5000113.8I381 M387I381-P383 WeakPolarHBondContact O-CD 3.39Å; P383-M387 WeakPolarHBondContact O-CG 3.39Å
384Y95.3Very high90.6Very high30 Ų3056.4 Ų56.412%0.11829%0.289CS..THydrogen-bonded Turntrans-91.60.6176-51.4-69.2000112.9I42 K43 V47 D382 M387 V391I42-Y384 HydrophobicContact CG2-CD1 4.05Å; I42-Y384 HydrophobicContact CG2-CG 4.41Å; K43-Y384 HydrophobicContact CB-CD1 3.94Å; K43-Y384 HydrophobicContact CB-CD2 3.92Å; K43-Y384 HydrophobicContact CB-CE1 3.71Å; K43-Y384 HydrophobicContact CB-CE2 3.7Å; K43-Y384 HydrophobicContact CB-CG 4.06Å; K43-Y384 HydrophobicContact CD-CD2 4.29Å; K43-Y384 HydrophobicContact CD-CE2 3.52Å; K43-Y384 HydrophobicContact CG-CD2 4.43Å; K43-Y384 HydrophobicContact CG-CE1 3.96Å; K43-Y384 HydrophobicContact CG-CE2 3.71Å; K43-Y384 VanDerWaalsContact CG-CZ 3.43Å; K43-Y384 WeakPolarHBondContact CG-OH 3.35Å; V47-Y384 HydrophobicContact CG2-CE1 3.86Å; D382-Y384 PolarHBondContact O-N 3.35Å; D382-Y384 WeakPolarHBondContact OD1-CB 3.4Å; D382-Y384 WeakPolarHBondContact OD1-CD2 2.99Å; D382-Y384 PolarHBondContact OD1-N 3.34Å; Y384-M387 WeakPolarHBondContact O-CE 3.16Å; Y384-V391 HydrophobicContact CD1-CG1 4Å; Y384-V391 HydrophobicContact CD1-CG2 4.41Å; Y384-V391 HydrophobicContact CE1-CG1 4.15Å; Y384-V391 HydrophobicContact CE1-CG2 3.95Å
385T93.9Very high91.1Very high8 Ų856.7 Ų56.75%0.04929%0.288CS..THydrogen-bonded Turntrans-107.3-20.1173.168.20000113.1P39 H355 I360 D382P39-T385 HydrophobicContact CG-CG2 3.82Å; H355-T385 PolarHBondContact CD2-O 3.46Å; H355-T385 VanDerWaalsContact CD2-O 3.29Å; I360-T385 HydrophobicContact CD1-CG2 3.8Å; D382-T385 HydrophobicContact CB-CG2 3.81Å; D382-T385 PolarHBondContact O-N 3Å; D382-T385 PolarHBondContact O-OG1 3.43Å
386Y96.2Very high91.9Very high34 Ų3452.6 Ų52.613%0.13328%0.276CS..  trans-122.5100.2174.8177.9-111.6000110.8N314 R318 H355 W361 F373 D382 P388N314-Y386 WeakPolarHBondContact CA-OH 3.29Å; N314-Y386 VanDerWaalsContact CB-OH 3.3Å; N314-Y386 WeakPolarHBondContact CB-OH 3.41Å; N314-Y386 PolarHBondContact O-OH 2.96Å; N314-Y386 PolarHBondContact OD1-OH 3.36Å; R318-Y386 HydrophobicContact CB-CD2 4.17Å; R318-Y386 HydrophobicContact CB-CE2 3.76Å; R318-Y386 HydrophobicContact CG-CD2 4.24Å; R318-Y386 HydrophobicContact CG-CE2 4.35Å; H355-Y386 AromaticContact CE1-CD2 3.92Å; H355-Y386 AromaticContact NE2-CD2 3.95Å; W361-Y386 HydrophobicContact CH2-CD2 4.43Å; W361-Y386 HydrophobicContact CH2-CG 4.47Å; W361-Y386 HydrophobicContact CZ2-CD2 4.46Å; F373-Y386 AromaticContact CE1-CD1 3.93Å; F373-Y386 HydrophobicContact CE1-CD1 3.93Å; F373-Y386 HydrophobicContact CE1-CD2 4.28Å; F373-Y386 AromaticContact CE1-CE1 3.74Å; F373-Y386 HydrophobicContact CE1-CE1 3.74Å; F373-Y386 HydrophobicContact CE1-CE2 4.12Å; F373-Y386 HydrophobicContact CE1-CG 4.19Å; F373-Y386 AromaticContact CE1-CZ 3.83Å; F373-Y386 HydrophobicContact CZ-CD1 4.33Å; F373-Y386 AromaticContact CZ-CD2 3.85Å; F373-Y386 HydrophobicContact CZ-CD2 3.85Å; F373-Y386 HydrophobicContact CZ-CE1 4.13Å; F373-Y386 AromaticContact CZ-CE2 3.63Å; F373-Y386 HydrophobicContact CZ-CE2 3.63Å; F373-Y386 HydrophobicContact CZ-CG 4.19Å; F373-Y386 AromaticContact CZ-CZ 3.77Å; D382-Y386 PolarHBondContact O-N 3.5Å; Y386-P388 HydrophobicContact CE1-CG 3.91Å; Y386-P388 HydrophobicContact CE2-CG 3.85Å
387M96.6Very high92.6Very high3 Ų346 Ų462%0.01525%0.248CC..  trans-13452.3-171.5-64.8176.6-70.500114I42 L46 L326 V349 T351 L354 H355 P383 Y384 F389 G390 V391I42-M387 HydrophobicContact CD1-CE 4.32Å; I42-M387 HydrophobicContact CG2-CE 4.01Å; I42-M387 HydrophobicContact CG2-SD 3.82Å; L46-M387 HydrophobicContact CD1-SD 3.96Å; L326-M387 HydrophobicContact CD1-CB 4.11Å; L326-M387 HydrophobicContact CD1-SD 4.19Å; V349-M387 HydrophobicContact CG1-CE 3.5Å; T351-M387 HydrophobicContact CG2-CB 4.23Å; T351-M387 HydrophobicContact CG2-CE 4.43Å; L354-M387 HydrophobicContact CD1-CE 3.95Å; H355-M387 PolarHBondContact NE2-N 3.44Å; P383-M387 WeakPolarHBondContact O-CG 3.39Å; Y384-M387 WeakPolarHBondContact O-CE 3.16Å; M387-F389 PolarHBondContact O-N 2.54Å; M387-F389 VanDerWaalsContact O-N 3.16Å; M387-G390 PolarHBondContact O-N 3.25Å; M387-V391 HydrophobicContact CG-CB 4.47Å; M387-V391 HydrophobicContact CG-CG1 4.31Å; M387-V391 HydrophobicContact SD-CB 4.41Å; M387-V391 HydrophobicContact SD-CG1 3.64Å
388P95.8Very high93.2Very high18 Ų1844 Ų4412%0.11724%0.241CC..THydrogen-bonded Turntrans-62.6-24.9179.929-37.7000113.6L317 Y386L317-P388 HydrophobicContact CB-CB 3.86Å; L317-P388 HydrophobicContact CB-CG 4.22Å; Y386-P388 HydrophobicContact CE1-CG 3.91Å; Y386-P388 HydrophobicContact CE2-CG 3.85Å
389F96.9Very high94Very high41 Ų4142.2 Ų42.218%0.1824%0.235CC..THydrogen-bonded Turntrans-108.18176.4-66.9-75.1000113L317 M387 C396 M399 A402 L403L317-F389 HydrophobicContact CD1-CE2 3.59Å; L317-F389 HydrophobicContact CD1-CZ 3.91Å; M387-F389 PolarHBondContact O-N 2.54Å; M387-F389 VanDerWaalsContact O-N 3.16Å; F389-C396 HydrophobicContact CB-CB 3.92Å; F389-C396 HydrophobicContact CD1-CB 3.87Å; F389-C396 HydrophobicContact CG-CB 4.38Å; F389-C396 WeakPolarHBondContact O-CB 3.39Å; F389-C396 PolarHBondContact O-N 3.4Å; F389-M399 HydrophobicContact CB-CB 4.28Å; F389-M399 HydrophobicContact CB-CG 4.03Å; F389-M399 HydrophobicContact CB-SD 3.86Å; F389-M399 HydrophobicContact CD1-CB 3.94Å; F389-M399 HydrophobicContact CD1-CG 3.91Å; F389-M399 HydrophobicContact CD2-CB 4.5Å; F389-M399 HydrophobicContact CD2-CG 3.6Å; F389-M399 HydrophobicContact CD2-SD 3.88Å; F389-M399 HydrophobicContact CE1-CB 4.41Å; F389-M399 HydrophobicContact CE1-CG 4.25Å; F389-M399 HydrophobicContact CE2-CG 3.97Å; F389-M399 HydrophobicContact CG-CB 3.99Å; F389-M399 HydrophobicContact CG-CG 3.56Å; F389-M399 HydrophobicContact CG-SD 3.95Å; F389-M399 HydrophobicContact CZ-CG 4.28Å; F389-A402 HydrophobicContact CE1-CB 4.33Å; F389-L403 HydrophobicContact CE2-CD2 4.21Å; F389-L403 HydrophobicContact CE2-CG 4.37Å; F389-L403 HydrophobicContact CZ-CD2 4.29Å; F389-L403 HydrophobicContact CZ-CG 4.32Å
390G95.9Very high94.7Very high14 Ų1440.4 Ų40.414%0.14422%0.22CC..  trans65.4179.3-166.500000113.4M387M387-G390 PolarHBondContact O-N 3.25Å
391V95.3Very high95.2Very high26 Ų2634.9 Ų34.916%0.15819%0.19CC..  trans-135.7162.3-179.366.30000110.8L46 V47 Y384 M387L46-V391 HydrophobicContact CB-CG1 3.8Å; L46-V391 HydrophobicContact CD1-CG1 3.48Å; L46-V391 VanDerWaalsContact CD1-CG1 3.48Å; L46-V391 HydrophobicContact CG-CG1 4.3Å; V47-V391 HydrophobicContact CG2-CG2 4.16Å; Y384-V391 HydrophobicContact CD1-CG1 4Å; Y384-V391 HydrophobicContact CD1-CG2 4.41Å; Y384-V391 HydrophobicContact CE1-CG1 4.15Å; Y384-V391 HydrophobicContact CE1-CG2 3.95Å; M387-V391 HydrophobicContact CG-CB 4.47Å; M387-V391 HydrophobicContact CG-CG1 4.31Å; M387-V391 HydrophobicContact SD-CB 4.41Å; M387-V391 HydrophobicContact SD-CG1 3.64Å
392G95.8Very high95.6Very high19 Ų1933.8 Ų33.820%0.19619%0.186CC..SBendtrans79-171.1178.500000114.4R394 N395G392-R394 PolarHBondContact O-N 3.15Å; G392-N395 WeakPolarHBondContact O-CB 3.33Å; G392-N395 PolarHBondContact O-N 3.13Å; G392-N395 VanDerWaalsContact O-N 3.1Å; G392-N395 PolarHBondContact O-OD1 2.87Å
393P96.5Very high95.8Very high33 Ų3332.4 Ų32.421%0.21418%0.179CC..THydrogen-bonded Turntrans-57-26.8-172.7-30.337.9000115.6C50 Y51 W78C50-P393 HydrophobicContact CB-CG 4.19Å; Y51-P393 HydrophobicContact CD2-CG 4.49Å; Y51-P393 HydrophobicContact CE1-CB 4.11Å; Y51-P393 HydrophobicContact CE1-CG 4.44Å; Y51-P393 HydrophobicContact CE2-CB 4.19Å; Y51-P393 HydrophobicContact CE2-CG 3.7Å; Y51-P393 WeakPolarHBondContact OH-CB 3.42Å; W78-P393 HydrophobicContact CH2-CB 3.9Å; W78-P393 WeakPolarHBondContact CZ2-O 3.4Å
394R96.3Very high96Very high3 Ų328.9 Ų28.91%0.01116%0.156CC..THydrogen-bonded Turntrans-106.726.1-177.2-159.3160.9-178.8155.40.6112.8T55 N56 R57 F71 A73 W78 G392T55-R394 WeakPolarHBondContact O-CD 3.34Å; T55-R394 PolarHBondContact O-NH1 2.91Å; N56-R394 PolarHBondContact OD1-NH1 3.11Å; R57-R394 PolarHBondContact NH2-O 2.83Å; F71-R394 PolarHBondContact O-NH2 3.16Å; A73-R394 PolarHBondContact O-NH2 3.13Å; W78-R394 HydrophobicContact CH2-CB 4Å; W78-R394 HydrophobicContact CH2-CG 4.39Å; W78-R394 HydrophobicContact CZ2-CB 3.52Å; W78-R394 HydrophobicContact CZ2-CG 3.58Å; G392-R394 PolarHBondContact O-N 3.15Å
395N97Very high96.1Very high41 Ų4127.5 Ų27.522%0.21915%0.15CC..SBendtrans-67.7174.6168.777.4-16.5000112.5R82 G392 I397R82-N395 PolarHBondContact NH1-O 2.93Å; R82-N395 PolarHBondContact NH2-O 2.97Å; R82-N395 PolarHBondContact NH2-OD1 3.34Å; G392-N395 WeakPolarHBondContact O-CB 3.33Å; G392-N395 PolarHBondContact O-N 3.13Å; G392-N395 VanDerWaalsContact O-N 3.1Å; G392-N395 PolarHBondContact O-OD1 2.87Å; N395-I397 PolarHBondContact O-N 2.87Å
396C97.4Very high96.2Very high53 Ų5327.2 Ų27.236%0.35815%0.149SC..  trans-59.8119.3176.1-175.10000111.4F389 G398 M399F389-C396 HydrophobicContact CB-CB 3.92Å; F389-C396 HydrophobicContact CD1-CB 3.87Å; F389-C396 HydrophobicContact CG-CB 4.38Å; F389-C396 WeakPolarHBondContact O-CB 3.39Å; F389-C396 PolarHBondContact O-N 3.4Å; C396-G398 VanDerWaalsContact C-N 3.29Å; C396-G398 PolarHBondContact O-N 2.82Å; C396-G398 PolarHBondContact SG-N 3.15Å; C396-M399 HydrophobicContact CB-CB 4.36Å
397I96.1Very high96.3Very high26 Ų2625.6 Ų25.613%0.13314%0.142CC..THydrogen-bonded Turntrans-67.4-34176.6-158.2174.2000111.7L70 L85 F89 F255 N395 M399L70-I397 HydrophobicContact CD2-CB 4.48Å; L70-I397 HydrophobicContact CD2-CD1 4.06Å; L70-I397 HydrophobicContact CD2-CG2 4.14Å; L85-I397 HydrophobicContact CB-CD1 3.79Å; F89-I397 HydrophobicContact CD2-CB 4.43Å; F89-I397 HydrophobicContact CD2-CD1 3.77Å; F89-I397 HydrophobicContact CD2-CG1 3.58Å; F89-I397 HydrophobicContact CD2-CG2 4.27Å; F89-I397 HydrophobicContact CE2-CB 4.43Å; F89-I397 HydrophobicContact CE2-CD1 3.83Å; F89-I397 HydrophobicContact CE2-CG1 3.91Å; F89-I397 HydrophobicContact CE2-CG2 3.81Å; F89-I397 HydrophobicContact CG-CG1 4.25Å; F89-I397 WeakPolarHBondContact CG-O 3.3Å; F89-I397 HydrophobicContact CZ-CG2 4.02Å; F255-I397 HydrophobicContact CE1-CG2 4.02Å; F255-I397 HydrophobicContact CZ-CG2 4.36Å; N395-I397 PolarHBondContact O-N 2.87Å; I397-M399 VanDerWaalsContact C-N 3.35Å; I397-M399 PolarHBondContact O-N 3.29Å
398G95.1Very high96.4Very high13 Ų1325.5 Ų25.513%0.13414%0.141CC..THydrogen-bonded Turntrans-89.210.8-176.200000114.5C396 R400 F401 A402C396-G398 VanDerWaalsContact C-N 3.29Å; C396-G398 PolarHBondContact O-N 2.82Å; C396-G398 PolarHBondContact SG-N 3.15Å; G398-R400 VanDerWaalsContact C-N 3.34Å; G398-R400 PolarHBondContact O-N 3.13Å; G398-F401 WeakPolarHBondContact O-CB 3.38Å; G398-F401 PolarHBondContact O-N 3.38Å; G398-F401 VanDerWaalsContact O-N 3.12Å; G398-A402 WeakPolarHBondContact O-CB 3.41Å; G398-A402 PolarHBondContact O-N 3.28Å
399M96.4Very high96.4Very high61 Ų6124.6 Ų24.630%0.314%0.136SC..Hα-helixtrans-51.9-50.6-175.9175.5179.476.900112.4F389 C396 I397 F401 A402 L403F389-M399 HydrophobicContact CB-CB 4.28Å; F389-M399 HydrophobicContact CB-CG 4.03Å; F389-M399 HydrophobicContact CB-SD 3.86Å; F389-M399 HydrophobicContact CD1-CB 3.94Å; F389-M399 HydrophobicContact CD1-CG 3.91Å; F389-M399 HydrophobicContact CD2-CB 4.5Å; F389-M399 HydrophobicContact CD2-CG 3.6Å; F389-M399 HydrophobicContact CD2-SD 3.88Å; F389-M399 HydrophobicContact CE1-CB 4.41Å; F389-M399 HydrophobicContact CE1-CG 4.25Å; F389-M399 HydrophobicContact CE2-CG 3.97Å; F389-M399 HydrophobicContact CG-CB 3.99Å; F389-M399 HydrophobicContact CG-CG 3.56Å; F389-M399 HydrophobicContact CG-SD 3.95Å; F389-M399 HydrophobicContact CZ-CG 4.28Å; C396-M399 HydrophobicContact CB-CB 4.36Å; I397-M399 VanDerWaalsContact C-N 3.35Å; I397-M399 PolarHBondContact O-N 3.29Å; M399-F401 PolarHBondContact O-N 3.4Å; M399-A402 PolarHBondContact O-N 3.01Å; M399-L403 HydrophobicContact CG-CD1 4.14Å; M399-L403 WeakPolarHBondContact O-CG 3.07Å; M399-L403 PolarHBondContact O-N 3.1Å
400R95.4Very high96.5Very high132 Ų13222.9 Ų22.950%0.49813%0.128SC..Hα-helixtrans-67.2-38.2-179-65.2-177.8-178.9-177.83.2112.1S91 L94 G398 V404S91-R400 PolarHBondContact OG-NH1 2.86Å; S91-R400 VanDerWaalsContact OG-NH1 3.12Å; L94-R400 HydrophobicContact CD1-CB 3.41Å; L94-R400 VanDerWaalsContact CD1-CB 3.41Å; G398-R400 VanDerWaalsContact C-N 3.34Å; G398-R400 PolarHBondContact O-N 3.13Å; R400-V404 VanDerWaalsContact O-CG2 3.32Å; R400-V404 WeakPolarHBondContact O-CG2 3.45Å; R400-V404 PolarHBondContact O-N 2.83Å; R400-V404 VanDerWaalsContact O-N 3.14Å
401F95.1Very high96.6Very high14 Ų1422.2 Ų22.26%0.06112%0.122CC..Hα-helixtrans-60.7-52.2175.2178.4-86000110.7F89 L94 M97 M101 V135 T139 F224 G398 M399 L403 V404 V405F89-F401 HydrophobicContact CD1-CB 4.02Å; F89-F401 HydrophobicContact CE1-CB 4.23Å; L94-F401 HydrophobicContact CD2-CB 3.82Å; L94-F401 HydrophobicContact CD2-CD2 3.75Å; L94-F401 HydrophobicContact CD2-CG 4.26Å; M97-F401 HydrophobicContact SD-CE2 4.37Å; M101-F401 HydrophobicContact CE-CD2 3.52Å; M101-F401 HydrophobicContact CE-CE2 3.22Å; M101-F401 HydrophobicContact CE-CG 4.41Å; M101-F401 HydrophobicContact CE-CZ 3.89Å; V135-F401 HydrophobicContact CG1-CE1 4.42Å; V135-F401 HydrophobicContact CG1-CZ 3.87Å; T139-F401 HydrophobicContact CG2-CE2 4.47Å; T139-F401 WeakPolarHBondContact OG1-CE2 3.1Å; T139-F401 WeakPolarHBondContact OG1-CZ 3.5Å; F224-F401 HydrophobicContact CE2-CD2 4.29Å; F224-F401 HydrophobicContact CE2-CE2 4.15Å; F224-F401 HydrophobicContact CZ-CD2 4.39Å; G398-F401 WeakPolarHBondContact O-CB 3.38Å; G398-F401 PolarHBondContact O-N 3.38Å; G398-F401 VanDerWaalsContact O-N 3.12Å; M399-F401 PolarHBondContact O-N 3.4Å; F401-L403 VanDerWaalsContact C-N 3.32Å; F401-L403 PolarHBondContact O-N 3.34Å; F401-V404 PolarHBondContact O-N 2.58Å; F401-V405 HydrophobicContact CD1-CG2 4.07Å; F401-V405 HydrophobicContact CE1-CG2 3.76Å; F401-V405 HydrophobicContact CZ-CG2 4.08Å; F401-V405 WeakPolarHBondContact O-CG2 3.3Å; F401-V405 PolarHBondContact O-N 3.48Å
402A96.2Very high96.7Very high10 Ų1021.3 Ų21.38%0.08312%0.116CC..Hα-helixtrans-58.8-42.8-18000000111.9F389 G398 M399 V404 V405 M406F389-A402 HydrophobicContact CE1-CB 4.33Å; G398-A402 WeakPolarHBondContact O-CB 3.41Å; G398-A402 PolarHBondContact O-N 3.28Å; M399-A402 PolarHBondContact O-N 3.01Å; A402-V404 PolarHBondContact O-N 3.35Å; A402-V405 PolarHBondContact O-N 3.28Å; A402-M406 WeakPolarHBondContact O-CB 3.29Å; A402-M406 VanDerWaalsContact O-CG 3.25Å; A402-M406 WeakPolarHBondContact O-CG 3.31Å; A402-M406 PolarHBondContact O-N 3.35Å
403L97.1Very high96.7Very high27 Ų2720.4 Ų20.414%0.14111%0.106CC..Hα-helixtrans-62.4-42.4177.3-71.5171.5000112.5I313 F389 M399 F401 M406 K407I313-L403 HydrophobicContact CG2-CD2 3.92Å; F389-L403 HydrophobicContact CE2-CD2 4.21Å; F389-L403 HydrophobicContact CE2-CG 4.37Å; F389-L403 HydrophobicContact CZ-CD2 4.29Å; F389-L403 HydrophobicContact CZ-CG 4.32Å; M399-L403 HydrophobicContact CG-CD1 4.14Å; M399-L403 WeakPolarHBondContact O-CG 3.07Å; M399-L403 PolarHBondContact O-N 3.1Å; F401-L403 VanDerWaalsContact C-N 3.32Å; F401-L403 PolarHBondContact O-N 3.34Å; L403-M406 PolarHBondContact O-N 3.04Å; L403-K407 VanDerWaalsContact O-CB 3.29Å; L403-K407 WeakPolarHBondContact O-CB 3.44Å; L403-K407 VanDerWaalsContact O-CG 3.24Å; L403-K407 WeakPolarHBondContact O-CG 3.49Å; L403-K407 PolarHBondContact O-N 3.49Å
404V96.6Very high96.8Very high1 Ų118.8 Ų18.81%0.00610%0.096CC..Hα-helixtrans-62.1-46.8176.1174.20000110.7F98 M101 Y300 M304 R400 F401 A402 M406 K407 L408F98-V404 HydrophobicContact CD2-CG1 3.88Å; F98-V404 HydrophobicContact CE2-CG1 4.23Å; M101-V404 HydrophobicContact SD-CG1 3.69Å; Y300-V404 HydrophobicContact CE2-CG1 4.32Å; Y300-V404 HydrophobicContact CE2-CG2 3.92Å; M304-V404 HydrophobicContact CE-CG2 4.37Å; M304-V404 HydrophobicContact SD-CG2 3.73Å; R400-V404 VanDerWaalsContact O-CG2 3.32Å; R400-V404 WeakPolarHBondContact O-CG2 3.45Å; R400-V404 PolarHBondContact O-N 2.83Å; R400-V404 VanDerWaalsContact O-N 3.14Å; F401-V404 PolarHBondContact O-N 2.58Å; A402-V404 PolarHBondContact O-N 3.35Å; V404-M406 PolarHBondContact O-N 3.42Å; V404-K407 PolarHBondContact O-N 3.19Å; V404-L408 VanDerWaalsContact O-CB 3.28Å; V404-L408 WeakPolarHBondContact O-CB 3.09Å; V404-L408 PolarHBondContact O-N 3.22Å
405V95.4Very high96.8Very high1 Ų118.7 Ų18.71%0.00610%0.096CC..Hα-helixtrans-60.7-46179.2173.60000111.2M101 Y131 V135 F401 A402 A409M101-V405 HydrophobicContact CE-CG2 4.02Å; M101-V405 HydrophobicContact SD-CG2 4.03Å; Y131-V405 HydrophobicContact CD1-CG1 4.47Å; Y131-V405 HydrophobicContact CE1-CG1 3.55Å; Y131-V405 PolarHBondContact OH-O 3Å; V135-V405 HydrophobicContact CG1-CG1 4.37Å; V135-V405 HydrophobicContact CG1-CG2 3.69Å; F401-V405 HydrophobicContact CD1-CG2 4.07Å; F401-V405 HydrophobicContact CE1-CG2 3.76Å; F401-V405 HydrophobicContact CZ-CG2 4.08Å; F401-V405 WeakPolarHBondContact O-CG2 3.3Å; F401-V405 PolarHBondContact O-N 3.48Å; A402-V405 PolarHBondContact O-N 3.28Å; V405-A409 WeakPolarHBondContact O-CB 3.37Å; V405-A409 PolarHBondContact O-N 2.87Å; V405-A409 VanDerWaalsContact O-N 3.13Å
406M97.3Very high96.7Very high2 Ų220 Ų201%0.0110%0.098CC..Hα-helixtrans-64.5-48.5178.6-71.8177.464.900112.1L267 L270 I313 A402 L403 V404 L408 A409 V410L267-M406 HydrophobicContact CD2-CB 4.21Å; L267-M406 HydrophobicContact CD2-CG 4.25Å; L267-M406 HydrophobicContact CG-CG 4.11Å; L270-M406 HydrophobicContact CD2-CE 4.25Å; I313-M406 HydrophobicContact CG2-CE 3.97Å; A402-M406 WeakPolarHBondContact O-CB 3.29Å; A402-M406 VanDerWaalsContact O-CG 3.25Å; A402-M406 WeakPolarHBondContact O-CG 3.31Å; A402-M406 PolarHBondContact O-N 3.35Å; L403-M406 PolarHBondContact O-N 3.04Å; V404-M406 PolarHBondContact O-N 3.42Å; M406-L408 PolarHBondContact O-N 3.07Å; M406-A409 PolarHBondContact O-N 3.22Å; M406-V410 WeakPolarHBondContact O-CG2 3.38Å; M406-V410 PolarHBondContact O-N 3.05Å; M406-V410 VanDerWaalsContact O-N 3.1Å
407K98.1Very high96.7Very high0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-58.1-49.5178.5-77.9-172.2178.8-159.70111.2L303 M304 L309 D310 I313 L403 V404 A409 V410 V411L303-K407 HydrophobicContact CD1-CB 3.92Å; L303-K407 HydrophobicContact CD2-CB 4.12Å; L303-K407 HydrophobicContact CG-CB 4Å; L303-K407 HydrophobicContact CG-CD 4.45Å; M304-K407 PolarHBondContact O-NZ 3.05Å; M304-K407 HydrophobicContact SD-CD 3.95Å; L309-K407 HydrophobicContact CD2-CB 3.89Å; L309-K407 HydrophobicContact CD2-CD 4.03Å; L309-K407 HydrophobicContact CD2-CG 3.71Å; L309-K407 HydrophobicContact CG-CG 4.09Å; D310-K407 WeakPolarHBondContact OD1-CE 3.29Å; D310-K407 IonicContact OD1-NZ 3.78Å; D310-K407 PolarHBondContact OD1-NZ 2.95Å; D310-K407 IonicContact OD2-NZ 2.59Å; D310-K407 PolarHBondContact OD2-NZ 3.42Å; I313-K407 HydrophobicContact CD1-CB 4.33Å; I313-K407 HydrophobicContact CD1-CG 3.39Å; L403-K407 VanDerWaalsContact O-CB 3.29Å; L403-K407 WeakPolarHBondContact O-CB 3.44Å; L403-K407 VanDerWaalsContact O-CG 3.24Å; L403-K407 WeakPolarHBondContact O-CG 3.49Å; L403-K407 PolarHBondContact O-N 3.49Å; V404-K407 PolarHBondContact O-N 3.19Å; K407-A409 PolarHBondContact O-N 2.93Å; K407-V410 PolarHBondContact O-N 3.38Å; K407-V411 WeakPolarHBondContact O-CB 3.43Å; K407-V411 VanDerWaalsContact O-CG2 3.3Å; K407-V411 WeakPolarHBondContact O-CG2 3.45Å; K407-V411 PolarHBondContact O-N 3.1Å
408L97.9Very high96.8Very high0 Ų018.1 Ų18.10%09%0.085CC..Hα-helixtrans-60.7-48.2-177.7178.661.3000111.6F98 M101 K102 V298 L303 V404 M406 V410 V411 E412F98-L408 HydrophobicContact CE2-CD1 4.09Å; F98-L408 HydrophobicContact CE2-CD2 4.06Å; F98-L408 HydrophobicContact CE2-CG 4.46Å; F98-L408 HydrophobicContact CZ-CD1 3.97Å; M101-L408 VanDerWaalsContact C-CD2 3.48Å; M101-L408 HydrophobicContact CB-CD2 3.59Å; K102-L408 HydrophobicContact CB-CD2 4.45Å; V298-L408 HydrophobicContact CB-CD1 3.99Å; V298-L408 HydrophobicContact CG1-CD1 3.89Å; V298-L408 HydrophobicContact CG2-CD1 4.43Å; L303-L408 HydrophobicContact CD2-CB 4.04Å; L303-L408 HydrophobicContact CD2-CD1 4.45Å; V404-L408 VanDerWaalsContact O-CB 3.28Å; V404-L408 WeakPolarHBondContact O-CB 3.09Å; V404-L408 PolarHBondContact O-N 3.22Å; M406-L408 PolarHBondContact O-N 3.07Å; L408-V410 PolarHBondContact O-N 3.23Å; L408-V411 PolarHBondContact O-N 2.62Å; L408-E412 HydrophobicContact CD1-CG 3.87Å; L408-E412 HydrophobicContact CG-CG 4.42Å; L408-E412 WeakPolarHBondContact O-CB 3.44Å; L408-E412 VanDerWaalsContact O-CG 3.24Å; L408-E412 WeakPolarHBondContact O-CG 3.42Å; L408-E412 PolarHBondContact O-N 3.28Å
409A97.4Very high96.9Very high0 Ų017.8 Ų17.80%08%0.08CC..Hα-helixtrans-60.9-46.2179.700000112L108 Y131 L267 V405 M406 K407 I413L108-A409 HydrophobicContact CD2-CB 4.3Å; Y131-A409 HydrophobicContact CD1-CB 4.33Å; Y131-A409 HydrophobicContact CE1-CB 3.65Å; L267-A409 HydrophobicContact CD1-CB 4.15Å; L267-A409 HydrophobicContact CD2-CB 4.04Å; V405-A409 WeakPolarHBondContact O-CB 3.37Å; V405-A409 PolarHBondContact O-N 2.87Å; V405-A409 VanDerWaalsContact O-N 3.13Å; M406-A409 PolarHBondContact O-N 3.22Å; K407-A409 PolarHBondContact O-N 2.93Å; A409-I413 WeakPolarHBondContact O-CD1 3.45Å; A409-I413 WeakPolarHBondContact O-CG1 3.48Å; A409-I413 PolarHBondContact O-N 3.3Å
410V97.8Very high96.9Very high4 Ų416.6 Ų16.62%0.0248%0.077CC..Hα-helixtrans-65.7-44.4-178.6173.10000111.2L267 L270 L274 L284 L309 M406 K407 L408 I413 L414L267-V410 HydrophobicContact CD2-CG2 3.72Å; L270-V410 HydrophobicContact CD2-CG2 3.47Å; L270-V410 VanDerWaalsContact CD2-CG2 3.47Å; L270-V410 HydrophobicContact CG-CG2 4.21Å; L274-V410 HydrophobicContact CD1-CG1 4.23Å; L284-V410 HydrophobicContact CD2-CG1 4.31Å; L309-V410 HydrophobicContact CD1-CG1 4.16Å; M406-V410 WeakPolarHBondContact O-CG2 3.38Å; M406-V410 PolarHBondContact O-N 3.05Å; M406-V410 VanDerWaalsContact O-N 3.1Å; K407-V410 PolarHBondContact O-N 3.38Å; L408-V410 PolarHBondContact O-N 3.23Å; V410-I413 PolarHBondContact O-N 2.87Å; V410-L414 HydrophobicContact CG1-CD1 3.67Å; V410-L414 HydrophobicContact CG1-CG 4.17Å; V410-L414 VanDerWaalsContact O-CB 3.3Å; V410-L414 WeakPolarHBondContact O-CB 3.18Å; V410-L414 VanDerWaalsContact O-CG 3.31Å; V410-L414 WeakPolarHBondContact O-CG 3.45Å; V410-L414 PolarHBondContact O-N 2.79Å
411V98.1Very high96.9Very high0 Ų013 Ų130%07%0.07CC..Hα-helixtrans-64.1-47.2178.8171.80000111.1I288 F292 V298 L303 M306 L309 K407 L408 I413 L414 Q415I288-V411 HydrophobicContact CD1-CG2 4.17Å; I288-V411 HydrophobicContact CG1-CG1 4.33Å; I288-V411 HydrophobicContact CG1-CG2 4.1Å; I288-V411 HydrophobicContact CG2-CG1 4.04Å; F292-V411 HydrophobicContact CD2-CG1 4.08Å; F292-V411 HydrophobicContact CE2-CG1 4.1Å; V298-V411 HydrophobicContact CG2-CG1 3.7Å; L303-V411 HydrophobicContact CD1-CB 4.07Å; L303-V411 HydrophobicContact CD1-CG1 4.46Å; L303-V411 HydrophobicContact CD1-CG2 3.58Å; M306-V411 HydrophobicContact SD-CG2 4.05Å; L309-V411 HydrophobicContact CD1-CG2 4.45Å; L309-V411 HydrophobicContact CD2-CG2 3.52Å; K407-V411 WeakPolarHBondContact O-CB 3.43Å; K407-V411 VanDerWaalsContact O-CG2 3.3Å; K407-V411 WeakPolarHBondContact O-CG2 3.45Å; K407-V411 PolarHBondContact O-N 3.1Å; L408-V411 PolarHBondContact O-N 2.62Å; V411-I413 VanDerWaalsContact C-N 3.27Å; V411-I413 PolarHBondContact O-N 3Å; V411-L414 PolarHBondContact O-N 3.24Å; V411-Q415 HydrophobicContact CG1-CG 4.3Å; V411-Q415 WeakPolarHBondContact O-CB 3.39Å; V411-Q415 VanDerWaalsContact O-CG 3.31Å; V411-Q415 WeakPolarHBondContact O-CG 2.81Å; V411-Q415 PolarHBondContact O-N 3.05Å
412E97.1Very high96.9Very high7 Ų713.3 Ų13.33%0.0337%0.074CC..Hα-helixtrans-61.8-35.8179.2-70.8-78.9-174.900112I109 V298 L408 R416I109-E412 HydrophobicContact CD1-CB 4.3Å; I109-E412 HydrophobicContact CG1-CB 4.21Å; V298-E412 HydrophobicContact CG2-CG 4.07Å; V298-E412 WeakPolarHBondContact CG2-OE1 3.38Å; L408-E412 HydrophobicContact CD1-CG 3.87Å; L408-E412 HydrophobicContact CG-CG 4.42Å; L408-E412 WeakPolarHBondContact O-CB 3.44Å; L408-E412 VanDerWaalsContact O-CG 3.24Å; L408-E412 WeakPolarHBondContact O-CG 3.42Å; L408-E412 PolarHBondContact O-N 3.28Å; E412-R416 PolarHBondContact O-NH1 3.39Å; E412-R416 IonicContact OE2-CZ 3.74Å; E412-R416 VanDerWaalsContact OE2-CZ 3.31Å; E412-R416 IonicContact OE2-NH1 2.79Å; E412-R416 PolarHBondContact OE2-NH1 3.47Å; E412-R416 IonicContact OE2-NH2 2.76Å; E412-R416 PolarHBondContact OE2-NH2 3.02Å
413I97.3Very high96.8Very high0 Ų022.4 Ų22.40%011%0.112CC..Hα-helixtrans-70.2-52.5174.9-66.2164.6000110.1L108 I109 M112 F128 A409 V410 V411 Q415 R416 Y417 F419 L447L108-I413 HydrophobicContact CD2-CD1 4.21Å; I109-I413 HydrophobicContact CD1-CB 4.15Å; I109-I413 HydrophobicContact CD1-CG1 3.47Å; I109-I413 VanDerWaalsContact CD1-CG1 3.47Å; M112-I413 HydrophobicContact CE-CD1 4.23Å; M112-I413 HydrophobicContact SD-CD1 3.86Å; M112-I413 HydrophobicContact SD-CG1 4.11Å; F128-I413 HydrophobicContact CE1-CD1 3.63Å; F128-I413 HydrophobicContact CZ-CD1 3.98Å; A409-I413 WeakPolarHBondContact O-CD1 3.45Å; A409-I413 WeakPolarHBondContact O-CG1 3.48Å; A409-I413 PolarHBondContact O-N 3.3Å; V410-I413 PolarHBondContact O-N 2.87Å; V411-I413 VanDerWaalsContact C-N 3.27Å; V411-I413 PolarHBondContact O-N 3Å; I413-Q415 VanDerWaalsContact C-N 3.27Å; I413-Q415 PolarHBondContact O-N 3.48Å; I413-R416 PolarHBondContact O-N 2.8Å; I413-Y417 PolarHBondContact O-N 3.2Å; I413-F419 HydrophobicContact CB-CZ 4.3Å; I413-F419 HydrophobicContact CD1-CZ 4Å; I413-F419 HydrophobicContact CG2-CE1 4.06Å; I413-F419 HydrophobicContact CG2-CE2 3.91Å; I413-F419 HydrophobicContact CG2-CZ 3.53Å; I413-L447 HydrophobicContact CG2-CD2 4.23Å
414L97.9Very high96.6Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-68.7-22.3-174.2-70.2-176.6000113.5L274 M281 L284 Q285 I288 V410 V411 R416 Y417 F419 R450L274-L414 HydrophobicContact CD1-CD1 4.14Å; M281-L414 HydrophobicContact CG-CD2 3.91Å; M281-L414 HydrophobicContact SD-CD2 3.94Å; L284-L414 HydrophobicContact CD2-CD1 3.51Å; L284-L414 HydrophobicContact CG-CD1 3.91Å; Q285-L414 HydrophobicContact CG-CB 4.23Å; Q285-L414 HydrophobicContact CG-CD2 4.47Å; I288-L414 HydrophobicContact CD1-CB 3.54Å; I288-L414 HydrophobicContact CD1-CD1 3.85Å; I288-L414 HydrophobicContact CD1-CG 4.35Å; V410-L414 HydrophobicContact CG1-CD1 3.67Å; V410-L414 HydrophobicContact CG1-CG 4.17Å; V410-L414 VanDerWaalsContact O-CB 3.3Å; V410-L414 WeakPolarHBondContact O-CB 3.18Å; V410-L414 VanDerWaalsContact O-CG 3.31Å; V410-L414 WeakPolarHBondContact O-CG 3.45Å; V410-L414 PolarHBondContact O-N 2.79Å; V411-L414 PolarHBondContact O-N 3.24Å; L414-R416 PolarHBondContact O-N 2.71Å; L414-Y417 WeakPolarHBondContact CA-O 3.43Å; L414-F419 HydrophobicContact CD2-CD2 3.94Å; L414-F419 HydrophobicContact CD2-CE2 4.07Å; L414-R450 WeakPolarHBondContact O-CD 3.34Å; L414-R450 PolarHBondContact O-NH1 3.48Å
415Q96.4Very high96.5Very high0 Ų026.7 Ų26.70%013%0.132CC..THydrogen-bonded Turntrans-62.1-24.2168.6-81.7-175.9-29.200113.1I288 K295 A296 V411 I413I288-Q415 HydrophobicContact CG2-CG 3.42Å; I288-Q415 VanDerWaalsContact CG2-CG 3.42Å; K295-Q415 WeakPolarHBondContact CD-O 3.36Å; K295-Q415 WeakPolarHBondContact CE-O 3.49Å; A296-Q415 PolarHBondContact O-NE2 3.14Å; A296-Q415 VanDerWaalsContact O-NE2 3.07Å; V411-Q415 HydrophobicContact CG1-CG 4.3Å; V411-Q415 WeakPolarHBondContact O-CB 3.39Å; V411-Q415 VanDerWaalsContact O-CG 3.31Å; V411-Q415 WeakPolarHBondContact O-CG 2.81Å; V411-Q415 PolarHBondContact O-N 3.05Å; I413-Q415 VanDerWaalsContact C-N 3.27Å; I413-Q415 PolarHBondContact O-N 3.48Å
416R95.6Very high96.4Very high70 Ų7028.9 Ų28.926%0.26414%0.142SC..THydrogen-bonded Turntrans-123.2-26.3-169.2-64.4174.4-173.681.1-4113.9K295 E412 I413 L414 R450K295-R416 HydrophobicContact CD-CG 4.46Å; E412-R416 PolarHBondContact O-NH1 3.39Å; E412-R416 IonicContact OE2-CZ 3.74Å; E412-R416 VanDerWaalsContact OE2-CZ 3.31Å; E412-R416 IonicContact OE2-NH1 2.79Å; E412-R416 PolarHBondContact OE2-NH1 3.47Å; E412-R416 IonicContact OE2-NH2 2.76Å; E412-R416 PolarHBondContact OE2-NH2 3.02Å; I413-R416 PolarHBondContact O-N 2.8Å; L414-R416 PolarHBondContact O-N 2.71Å; R416-R450 PolarHBondContact O-N 3.25Å
417Y96.6Very high96.2Very high16 Ų1633.5 Ų33.56%0.06317%0.166CC..EExtended strand (participates in β ladder)trans-140.4157.9-174.2-56.3-80.5000111.3I109 K113 A116 I413 L414 L447 I448 P449I109-Y417 HydrophobicContact CG2-CE2 4.24Å; K113-Y417 WeakPolarHBondContact CB-OH 3.23Å; K113-Y417 WeakPolarHBondContact CG-OH 3.32Å; A116-Y417 HydrophobicContact CB-CE1 4.21Å; I413-Y417 PolarHBondContact O-N 3.2Å; L414-Y417 WeakPolarHBondContact CA-O 3.43Å; Y417-L447 HydrophobicContact CD1-CB 3.99Å; Y417-L447 HydrophobicContact CD1-CD1 4.47Å; Y417-L447 HydrophobicContact CD2-CD1 4.24Å; Y417-L447 HydrophobicContact CG-CB 4.13Å; Y417-L447 HydrophobicContact CG-CD1 4.12Å; Y417-I448 CarbonylContact C-O 3.26Å; Y417-I448 WeakPolarHBondContact CA-O 3.49Å; Y417-P449 HydrophobicContact CD1-CB 4.41Å; Y417-P449 HydrophobicContact CD1-CG 4.33Å; Y417-P449 HydrophobicContact CE1-CB 4.43Å; Y417-P449 HydrophobicContact CE1-CG 4.22Å
418S97.3Very high95.8Very high23 Ų2339 Ų3916%0.16120%0.201CC..EExtended strand (participates in β ladder)trans-110.3137.4166.5-60.70000108.6Q285 L447 I448 R450Q285-S418 PolarHBondContact NE2-OG 3.18Å; S418-L447 WeakPolarHBondContact O-CA 3.44Å; S418-I448 PolarHBondContact N-O 3.43Å; S418-I448 PolarHBondContact O-N 2.69Å; S418-R450 WeakPolarHBondContact OG-CG 3.34Å
419F97.7Very high95.5Very high5 Ų540.2 Ų40.22%0.02221%0.206CC..EExtended strand (participates in β ladder)trans-75134.2170.3-64.5-73.9000109.7M112 L124 F128 A271 L274 A275 M281 I413 L414 L445 L447M112-F419 HydrophobicContact CE-CE1 4.44Å; L124-F419 HydrophobicContact CD2-CE1 4.34Å; F128-F419 HydrophobicContact CZ-CZ 4.27Å; A271-F419 HydrophobicContact CB-CD1 4.18Å; A271-F419 HydrophobicContact CB-CD2 4.28Å; A271-F419 HydrophobicContact CB-CE1 3.87Å; A271-F419 HydrophobicContact CB-CE2 3.98Å; A271-F419 HydrophobicContact CB-CG 4.37Å; A271-F419 HydrophobicContact CB-CZ 3.75Å; L274-F419 HydrophobicContact CB-CD2 4.42Å; L274-F419 HydrophobicContact CD1-CD2 4.43Å; L274-F419 HydrophobicContact CD1-CE2 4.45Å; A275-F419 HydrophobicContact CB-CB 3.81Å; M281-F419 VanDerWaalsContact CE-O 3.31Å; M281-F419 WeakPolarHBondContact CE-O 3.47Å; M281-F419 HydrophobicContact SD-CB 4.11Å; M281-F419 HydrophobicContact SD-CD2 4.37Å; M281-F419 PolarHBondContact SD-N 3.09Å; M281-F419 VanDerWaalsContact SD-N 3.41Å; I413-F419 HydrophobicContact CB-CZ 4.3Å; I413-F419 HydrophobicContact CD1-CZ 4Å; I413-F419 HydrophobicContact CG2-CE1 4.06Å; I413-F419 HydrophobicContact CG2-CE2 3.91Å; I413-F419 HydrophobicContact CG2-CZ 3.53Å; L414-F419 HydrophobicContact CD2-CD2 3.94Å; L414-F419 HydrophobicContact CD2-CE2 4.07Å; F419-L445 HydrophobicContact CB-CD1 4.26Å; F419-L445 HydrophobicContact CD1-CD1 4.13Å; F419-L445 HydrophobicContact CG-CD1 4.44Å; F419-L447 HydrophobicContact CD1-CD2 3.51Å; F419-L447 HydrophobicContact CE1-CD2 3.63Å; F419-L447 HydrophobicContact CG-CD2 4.36Å
420S96.6Very high95.2Very high36 Ų3644.2 Ų44.225%0.25223%0.225SC..EExtended strand (participates in β ladder)trans-130.3143175.3-178.60000110.4K446S420-K446 PolarHBondContact N-O 2.93Å; S420-K446 PolarHBondContact O-N 3.06Å
421V96.3Very high94.8Very high57 Ų5745.6 Ų45.635%0.34523%0.232SC..  trans-66.7150.6168.6-57.20000110.1A275 T276 T425 I427 L445A275-V421 HydrophobicContact CB-CG1 4.12Å; T276-V421 HydrophobicContact CG2-CG1 4.1Å; V421-T425 HydrophobicContact CB-CG2 4.29Å; V421-T425 HydrophobicContact CG1-CG2 4.22Å; V421-I427 HydrophobicContact CB-CD1 3.98Å; V421-I427 HydrophobicContact CG1-CD1 3.69Å; V421-I427 HydrophobicContact CG2-CD1 4.4Å; V421-L445 HydrophobicContact CG1-CD2 4.4Å
422C93.9Very high94.2Very high21 Ų2147.9 Ų47.914%0.14224%0.244CC..  trans-134.1179.3176.662.30000110.9E424 T425 K446C422-E424 WeakPolarHBondContact CB-OE2 3.35Å; C422-E424 PolarHBondContact O-N 3.37Å; C422-E424 PolarHBondContact SG-OE2 3.33Å; C422-T425 PolarHBondContact N-OG1 2.62Å; C422-T425 WeakPolarHBondContact O-CB 3.27Å; C422-T425 PolarHBondContact O-N 3.11Å; C422-T425 PolarHBondContact O-OG1 3.15Å; C422-T425 PolarHBondContact SG-OG1 3.06Å; C422-T425 VanDerWaalsContact SG-OG1 3.33Å; C422-K446 HydrophobicContact CB-CD 3.92Å; C422-K446 HydrophobicContact CB-CG 3.83Å
423K93.6Very high93.3Very high201 Ų20149.5 Ų49.587%0.87425%0.254SS*.THydrogen-bonded Turntrans-60.8-30.4-177-176-178.6176.1-174.70112.1T425K423-T425 VanDerWaalsContact C-N 3.33Å
424E93.4Very high92Very high102 Ų10252.7 Ų52.748%0.47727%0.269SS..THydrogen-bonded Turntrans-81.9-12.6179.3-55.474.2-160.100112.6C422 E426 Q444C422-E424 WeakPolarHBondContact CB-OE2 3.35Å; C422-E424 PolarHBondContact O-N 3.37Å; C422-E424 PolarHBondContact SG-OE2 3.33Å; E424-E426 PolarHBondContact O-N 3.19Å; E424-Q444 HydrophobicContact CB-CB 4.16Å; E424-Q444 VanDerWaalsContact CB-OE1 3.22Å
425T94.9Very high90.9Very high15 Ų1554 Ų549%0.09228%0.282CS..  trans-74.6121.9178.7-49.10000110.5Y272 V421 C422 K423 I427 Q444 L445Y272-T425 HydrophobicContact CD2-CG2 4.45Å; Y272-T425 HydrophobicContact CE2-CG2 4.09Å; V421-T425 HydrophobicContact CB-CG2 4.29Å; V421-T425 HydrophobicContact CG1-CG2 4.22Å; C422-T425 PolarHBondContact N-OG1 2.62Å; C422-T425 WeakPolarHBondContact O-CB 3.27Å; C422-T425 PolarHBondContact O-N 3.11Å; C422-T425 PolarHBondContact O-OG1 3.15Å; C422-T425 PolarHBondContact SG-OG1 3.06Å; C422-T425 VanDerWaalsContact SG-OG1 3.33Å; K423-T425 VanDerWaalsContact C-N 3.33Å; T425-I427 HydrophobicContact CG2-CD1 4.17Å; T425-I427 HydrophobicContact CG2-CG1 3.92Å; T425-Q444 WeakPolarHBondContact CB-O 3.45Å; T425-Q444 PolarHBondContact OG1-O 2.84Å; T425-L445 HydrophobicContact CG2-CD2 3.78Å
426E93.8Very high90.3Very high48 Ų4856.7 Ų56.722%0.22430%0.296CS..  trans-82.4123.9175.5-164.6-174.8153.500111.4Y272 E424 F429 E430 R441Y272-E426 WeakPolarHBondContact CE2-O 3.28Å; Y272-E426 PolarHBondContact OH-O 3.49Å; Y272-E426 VanDerWaalsContact OH-O 3.08Å; E424-E426 PolarHBondContact O-N 3.19Å; E426-F429 HydrophobicContact CB-CB 4.06Å; E426-F429 HydrophobicContact CG-CB 4.24Å; E426-F429 PolarHBondContact O-N 3.44Å; E426-F429 WeakPolarHBondContact OE1-CA 3.4Å; E426-E430 PolarHBondContact OE1-N 2.76Å; E426-R441 IonicContact OE1-CZ 3.51Å; E426-R441 IonicContact OE1-NE 2.64Å; E426-R441 IonicContact OE1-NH2 3.19Å; E426-R441 PolarHBondContact OE1-NH2 3.11Å; E426-R441 IonicContact OE2-CZ 3.89Å; E426-R441 VanDerWaalsContact OE2-CZ 3.26Å; E426-R441 IonicContact OE2-NE 3.72Å; E426-R441 PolarHBondContact OE2-NE 2.74Å; E426-R441 IonicContact OE2-NH2 3.69Å; E426-R441 PolarHBondContact OE2-NH2 3.27Å
427I92.5Very high90Very high99 Ų9953.4 Ų53.451%0.50828%0.284SS..SBendtrans-138.5113.8-177.3-51.6175.1000109.8Y272 T276 V421 T425Y272-I427 HydrophobicContact CE2-CG1 4.43Å; T276-I427 HydrophobicContact CG2-CD1 4.2Å; T276-I427 HydrophobicContact CG2-CG1 4.42Å; V421-I427 HydrophobicContact CB-CD1 3.98Å; V421-I427 HydrophobicContact CG1-CD1 3.69Å; V421-I427 HydrophobicContact CG2-CD1 4.4Å; T425-I427 HydrophobicContact CG2-CD1 4.17Å; T425-I427 HydrophobicContact CG2-CG1 3.92Å
428P90.3Very high89.6Confident114 Ų11453.7 Ų53.774%0.7429%0.29SS*.SBendcis-68.6149.5-14.131.9-34.6000111
429F91.4Very high89.3Confident26 Ų2653.6 Ų53.611%0.11429%0.291CS..PPolyproline II helixtrans-81.6149.5175.769.7-87.3000112.6F269 Y272 F320 E426 M431 A439 I443F269-F429 HydrophobicContact CD1-CE2 4.25Å; F269-F429 AromaticContact CD1-CZ 3.73Å; F269-F429 HydrophobicContact CD1-CZ 3.73Å; F269-F429 AromaticContact CE1-CE2 3.63Å; F269-F429 HydrophobicContact CE1-CE2 3.63Å; F269-F429 AromaticContact CE1-CZ 3.58Å; F269-F429 HydrophobicContact CE1-CZ 3.58Å; Y272-F429 AromaticContact CD1-CD1 3.98Å; Y272-F429 HydrophobicContact CD1-CD1 3.98Å; Y272-F429 AromaticContact CD1-CE1 3.58Å; Y272-F429 HydrophobicContact CD1-CE1 3.58Å; Y272-F429 HydrophobicContact CD2-CD1 4.19Å; Y272-F429 HydrophobicContact CD2-CE1 4.46Å; Y272-F429 AromaticContact CE1-CD1 3.52Å; Y272-F429 HydrophobicContact CE1-CD1 3.52Å; Y272-F429 AromaticContact CE1-CE1 3.45Å; Y272-F429 HydrophobicContact CE1-CE1 3.45Å; Y272-F429 VanDerWaalsContact CE1-CE1 3.45Å; Y272-F429 AromaticContact CE2-CD1 3.75Å; Y272-F429 HydrophobicContact CE2-CD1 3.75Å; Y272-F429 HydrophobicContact CE2-CE1 4.34Å; Y272-F429 HydrophobicContact CG-CD1 4.29Å; Y272-F429 HydrophobicContact CG-CE1 4.09Å; Y272-F429 AromaticContact CZ-CD1 3.38Å; Y272-F429 AromaticContact CZ-CE1 3.85Å; F320-F429 HydrophobicContact CD1-CZ 4.32Å; F320-F429 HydrophobicContact CE1-CE1 4.28Å; F320-F429 HydrophobicContact CE1-CE2 4.42Å; F320-F429 AromaticContact CE1-CZ 3.56Å; F320-F429 HydrophobicContact CE1-CZ 3.56Å; F320-F429 AromaticContact CZ-CE1 3.95Å; F320-F429 HydrophobicContact CZ-CE1 3.95Å; F320-F429 AromaticContact CZ-CZ 3.68Å; F320-F429 HydrophobicContact CZ-CZ 3.68Å; E426-F429 HydrophobicContact CB-CB 4.06Å; E426-F429 HydrophobicContact CG-CB 4.24Å; E426-F429 PolarHBondContact O-N 3.44Å; E426-F429 WeakPolarHBondContact OE1-CA 3.4Å; F429-M431 HydrophobicContact CD2-SD 4.32Å; F429-M431 HydrophobicContact CE2-SD 3.4Å; F429-M431 WeakPolarHBondContact CE2-SD 3.41Å; F429-M431 HydrophobicContact CZ-SD 4.02Å; F429-A439 HydrophobicContact CD2-CB 3.74Å; F429-A439 HydrophobicContact CE2-CB 3.97Å; F429-I443 HydrophobicContact CE1-CD1 4.45Å; F429-I443 HydrophobicContact CZ-CD1 4.45Å
430E90.5Very high89Confident85 Ų8559 Ų5940%0.39731%0.314SS..PPolyproline II helixtrans-78.9133.4170.8-70.5173-133.600111.9E426 K440 R441E426-E430 PolarHBondContact OE1-N 2.76Å; E430-K440 HydrophobicContact CB-CB 4.1Å; E430-K440 HydrophobicContact CB-CD 4Å; E430-K440 VanDerWaalsContact O-CB 3.31Å; E430-K440 WeakPolarHBondContact O-CB 3.33Å; E430-K440 PolarHBondContact O-N 3.21Å; E430-K440 VanDerWaalsContact OE2-CD 3.25Å; E430-K440 WeakPolarHBondContact OE2-CD 3.09Å; E430-K440 IonicContact OE2-NZ 3.75Å; E430-K440 PolarHBondContact OE2-NZ 2.94Å; E430-R441 IonicContact OE1-CZ 2.74Å; E430-R441 IonicContact OE1-NH2 2.88Å; E430-R441 PolarHBondContact OE1-NH2 2.98Å
431M89.8Confident88.7Confident32 Ų3262.9 Ų62.916%0.15832%0.323CS..BIsolated β-bridgetrans-74.8143.8171.6-66-64.4-62.800111F10 F269 F320 W352 F429 L437F10-M431 HydrophobicContact CE1-CB 4.41Å; F10-M431 HydrophobicContact CE2-CB 3.95Å; F10-M431 HydrophobicContact CE2-CG 4.28Å; F10-M431 HydrophobicContact CZ-CB 3.52Å; F10-M431 HydrophobicContact CZ-CG 4.3Å; F269-M431 HydrophobicContact CZ-CE 4.23Å; F320-M431 HydrophobicContact CD1-CE 4.49Å; F320-M431 HydrophobicContact CD1-SD 4.2Å; F320-M431 HydrophobicContact CE1-SD 4.09Å; W352-M431 HydrophobicContact CH2-CE 4.42Å; W352-M431 HydrophobicContact CZ3-CE 4.48Å; F429-M431 HydrophobicContact CD2-SD 4.32Å; F429-M431 HydrophobicContact CE2-SD 3.4Å; F429-M431 WeakPolarHBondContact CE2-SD 3.41Å; F429-M431 HydrophobicContact CZ-SD 4.02Å; M431-L437 HydrophobicContact CE-CB 3.81Å; M431-L437 HydrophobicContact CE-CD1 4.21Å; M431-L437 HydrophobicContact CE-CD2 3.87Å; M431-L437 HydrophobicContact CE-CG 4.2Å
432D85.8Confident88.5Confident48 Ų4863.5 Ų63.526%0.25733%0.328SS..PPolyproline II helixtrans-70.4148.1165.3-166.32.5000109.8F10 Q434 A438F10-D432 WeakPolarHBondContact CE1-O 3.5Å; F10-D432 WeakPolarHBondContact CZ-O 3.47Å; D432-Q434 PolarHBondContact OD1-N 3.42Å; D432-A438 HydrophobicContact CB-CB 4.21Å; D432-A438 PolarHBondContact N-O 3.34Å
433V78.3Confident88.6Confident42 Ų4263 Ų6326%0.25532%0.324SS..  trans-98.3-3.3-175.7-63.60000112.8L168L168-V433 HydrophobicContact CD1-CG2 4.3Å
434Q69.3Low88.7Confident67 Ų6756.1 Ų56.131%0.31330%0.295SS..SBendtrans-107.2145.6-174.4-58.5-172.2-8.100112.6D166 D432 L436D166-Q434 PolarHBondContact OD1-NE2 3.11Å; D432-Q434 PolarHBondContact OD1-N 3.42Å; Q434-L436 PolarHBondContact O-N 3.3Å; Q434-L436 VanDerWaalsContact O-O 3.09Å
435G74.7Confident88.9Confident26 Ų2651.2 Ų51.227%0.26827%0.272SS..SBendtrans63.2-129.316500000115.7F9F9-G435 VanDerWaalsContact CE1-O 3.25Å; F9-G435 WeakPolarHBondContact CE1-O 3.44Å
436L85Confident88.9Confident57 Ų5754.3 Ų54.330%0.29828%0.284SS..SBendtrans-79.8159.2172.6-66.1174.4000109.8E261 T262 I322 Q434 A438E261-L436 HydrophobicContact CG-CD1 3.82Å; T262-L436 HydrophobicContact CG2-CD1 4.35Å; I322-L436 HydrophobicContact CG2-CB 4Å; I322-L436 HydrophobicContact CG2-CD1 4.19Å; I322-L436 HydrophobicContact CG2-CD2 4.29Å; I322-L436 HydrophobicContact CG2-CG 4.39Å; Q434-L436 PolarHBondContact O-N 3.3Å; Q434-L436 VanDerWaalsContact O-O 3.09Å; L436-A438 PolarHBondContact O-N 3.05Å; L436-A438 VanDerWaalsContact O-N 3.12Å
437L88.4Confident89Confident1 Ų152.7 Ų52.71%0.00528%0.277CS..SBendtrans-61.4121.6176.1-65.2-171000111.4F9 F10 P321 I322 A324 W352 M431F9-L437 HydrophobicContact CZ-CD2 4.3Å; F10-L437 HydrophobicContact CD1-CD2 3.72Å; F10-L437 HydrophobicContact CE1-CD2 4.21Å; F10-L437 HydrophobicContact CG-CD2 4.17Å; P321-L437 HydrophobicContact CG-CD1 4.34Å; P321-L437 WeakPolarHBondContact O-CD1 3.36Å; I322-L437 PolarHBondContact O-N 2.86Å; A324-L437 HydrophobicContact CB-CD1 4.14Å; A324-L437 HydrophobicContact CB-CD2 3.97Å; A324-L437 HydrophobicContact CB-CG 3.97Å; W352-L437 HydrophobicContact CE3-CD1 3.46Å; W352-L437 VanDerWaalsContact CE3-CD1 3.46Å; W352-L437 HydrophobicContact CE3-CD2 4.44Å; W352-L437 HydrophobicContact CZ3-CD1 3.43Å; W352-L437 VanDerWaalsContact CZ3-CD1 3.43Å; W352-L437 HydrophobicContact CZ3-CD2 4.49Å; M431-L437 HydrophobicContact CE-CB 3.81Å; M431-L437 HydrophobicContact CE-CD1 4.21Å; M431-L437 HydrophobicContact CE-CD2 3.87Å; M431-L437 HydrophobicContact CE-CG 4.2Å
438A89.1Confident89.1Confident22 Ų2252.1 Ų52.118%0.18227%0.274CS..  trans-139.9162.2174.800000109.6D432 L436D432-A438 HydrophobicContact CB-CB 4.21Å; D432-A438 PolarHBondContact N-O 3.34Å; L436-A438 PolarHBondContact O-N 3.05Å; L436-A438 VanDerWaalsContact O-N 3.12Å
439A90.9Very high89.3Confident22 Ų2250.9 Ų50.918%0.18227%0.266CS..BIsolated β-bridgetrans-78.3140.4167.600000109.2F269 F429 R441 I443F269-A439 HydrophobicContact CE1-CB 4.39Å; F429-A439 HydrophobicContact CD2-CB 3.74Å; F429-A439 HydrophobicContact CE2-CB 3.97Å; A439-R441 VanDerWaalsContact C-N 3.25Å; A439-R441 VanDerWaalsContact CB-O 3.24Å; A439-R441 WeakPolarHBondContact CB-O 3.03Å; A439-R441 PolarHBondContact O-N 3.25Å; A439-I443 HydrophobicContact CB-CD1 3.96Å; A439-I443 HydrophobicContact CB-CG1 3.92Å
440K89.6Confident89.2Confident118 Ų11855.2 Ų55.251%0.51328%0.282SS..SBendtrans-62.5-35.3179-178.1178.9176.4-178.90112.2E430E430-K440 HydrophobicContact CB-CB 4.1Å; E430-K440 HydrophobicContact CB-CD 4Å; E430-K440 VanDerWaalsContact O-CB 3.31Å; E430-K440 WeakPolarHBondContact O-CB 3.33Å; E430-K440 PolarHBondContact O-N 3.21Å; E430-K440 VanDerWaalsContact OE2-CD 3.25Å; E430-K440 WeakPolarHBondContact OE2-CD 3.09Å; E430-K440 IonicContact OE2-NZ 3.75Å; E430-K440 PolarHBondContact OE2-NZ 2.94Å
441R91.3Very high89.2Confident118 Ų11853.8 Ų53.845%0.44528%0.276SS..SBendtrans-116.4145.6172.5-72-179.6-76.9-108.1-7.7109.2E426 E430 A439 I443E426-R441 IonicContact OE1-CZ 3.51Å; E426-R441 IonicContact OE1-NE 2.64Å; E426-R441 IonicContact OE1-NH2 3.19Å; E426-R441 PolarHBondContact OE1-NH2 3.11Å; E426-R441 IonicContact OE2-CZ 3.89Å; E426-R441 VanDerWaalsContact OE2-CZ 3.26Å; E426-R441 IonicContact OE2-NE 3.72Å; E426-R441 PolarHBondContact OE2-NE 2.74Å; E426-R441 IonicContact OE2-NH2 3.69Å; E426-R441 PolarHBondContact OE2-NH2 3.27Å; E430-R441 IonicContact OE1-CZ 2.74Å; E430-R441 IonicContact OE1-NH2 2.88Å; E430-R441 PolarHBondContact OE1-NH2 2.98Å; A439-R441 VanDerWaalsContact C-N 3.25Å; A439-R441 VanDerWaalsContact CB-O 3.24Å; A439-R441 WeakPolarHBondContact CB-O 3.03Å; A439-R441 PolarHBondContact O-N 3.25Å; R441-I443 PolarHBondContact O-N 3.15Å
442P92.6Very high89.2Confident70 Ų7054.9 Ų54.946%0.45528%0.282SS..  trans-58.1133.6178.2-23.132.8000112E123 Q444E123-P442 VanDerWaalsContact CD-CB 3.44Å; E123-P442 HydrophobicContact CG-CB 3.61Å; E123-P442 WeakPolarHBondContact OE1-CB 3.36Å; P442-Q444 PolarHBondContact O-N 2.85Å
443I95.1Very high89.3Confident10 Ų1055.3 Ų55.35%0.05128%0.284CS..  trans-76.2119.9177.8-66.1171.3000108.9L124 T268 F269 Y272 F429 A439 R441 L445L124-I443 HydrophobicContact CD1-CG2 3.93Å; L124-I443 PolarHBondContact N-O 3.02Å; L124-I443 VanDerWaalsContact N-O 3.09Å; T268-I443 HydrophobicContact CG2-CB 3.8Å; T268-I443 HydrophobicContact CG2-CD1 3.77Å; T268-I443 HydrophobicContact CG2-CG1 4.21Å; T268-I443 HydrophobicContact CG2-CG2 4.4Å; F269-I443 HydrophobicContact CD1-CD1 4.01Å; F269-I443 HydrophobicContact CE1-CD1 4.14Å; Y272-I443 HydrophobicContact CD2-CD1 4.38Å; Y272-I443 HydrophobicContact CD2-CG2 3.93Å; Y272-I443 HydrophobicContact CG-CD1 4.4Å; F429-I443 HydrophobicContact CE1-CD1 4.45Å; F429-I443 HydrophobicContact CZ-CD1 4.45Å; A439-I443 HydrophobicContact CB-CD1 3.96Å; A439-I443 HydrophobicContact CB-CG1 3.92Å; R441-I443 PolarHBondContact O-N 3.15Å; I443-L445 HydrophobicContact CG2-CG 4.29Å
444Q96.1Very high90Very high56 Ų5656.1 Ų56.126%0.26229%0.285SS..EExtended strand (participates in β ladder)trans-110.4131.7177.2-60.6-171.610.500110.7A121 L122 E123 E424 T425 P442A121-Q444 HydrophobicContact CB-CB 4.37Å; L122-Q444 VanDerWaalsContact O-CA 3.31Å; L122-Q444 WeakPolarHBondContact O-CA 3.37Å; E123-Q444 HydrophobicContact CB-CG 4.49Å; E424-Q444 HydrophobicContact CB-CB 4.16Å; E424-Q444 VanDerWaalsContact CB-OE1 3.22Å; T425-Q444 WeakPolarHBondContact CB-O 3.45Å; T425-Q444 PolarHBondContact OG1-O 2.84Å; P442-Q444 PolarHBondContact O-N 2.85Å
445L96.6Very high91.3Very high0 Ų055.4 Ų55.40%028%0.284CS..EExtended strand (participates in β ladder)trans-137.6161.8177.1-64.6179.1000110.7L122 L124 A271 A275 F419 V421 T425 I443L122-L445 PolarHBondContact N-O 3.13Å; L122-L445 PolarHBondContact O-N 3.48Å; L122-L445 VanDerWaalsContact O-N 3.09Å; L124-L445 HydrophobicContact CD1-CB 4.36Å; L124-L445 HydrophobicContact CD1-CD1 3.41Å; L124-L445 VanDerWaalsContact CD1-CD1 3.41Å; L124-L445 HydrophobicContact CD1-CG 3.85Å; L124-L445 HydrophobicContact CD2-CB 4.37Å; L124-L445 HydrophobicContact CG-CB 4.47Å; L124-L445 HydrophobicContact CG-CD1 4.34Å; L124-L445 HydrophobicContact CG-CG 4.42Å; A271-L445 HydrophobicContact CB-CD1 4.2Å; A275-L445 HydrophobicContact CB-CD1 3.75Å; A275-L445 HydrophobicContact CB-CD2 3.74Å; A275-L445 HydrophobicContact CB-CG 4.41Å; F419-L445 HydrophobicContact CB-CD1 4.26Å; F419-L445 HydrophobicContact CD1-CD1 4.13Å; F419-L445 HydrophobicContact CG-CD1 4.44Å; V421-L445 HydrophobicContact CG1-CD2 4.4Å; T425-L445 HydrophobicContact CG2-CD2 3.78Å; I443-L445 HydrophobicContact CG2-CG 4.29Å
446K95.9Very high92.4Very high80 Ų8057.3 Ų57.335%0.34829%0.285SS..EExtended strand (participates in β ladder)trans-101.9152.4169.2-73.4-173.7-179-156.10111.3G119 S420 C422G119-K446 VanDerWaalsContact O-CE 3.3Å; G119-K446 WeakPolarHBondContact O-CE 3.31Å; G119-K446 PolarHBondContact O-NZ 3.43Å; S420-K446 PolarHBondContact N-O 2.93Å; S420-K446 PolarHBondContact O-N 3.06Å; C422-K446 HydrophobicContact CB-CD 3.92Å; C422-K446 HydrophobicContact CB-CG 3.83Å
447L95.9Very high92.9Very high13 Ų1357.4 Ų57.47%0.06828%0.284CS..EExtended strand (participates in β ladder)trans-103.4126.3169.1-67.5-176000109.6M112 A116 L122 I413 Y417 S418 F419M112-L447 HydrophobicContact CB-CD1 3.77Å; M112-L447 HydrophobicContact CE-CD1 3.93Å; M112-L447 HydrophobicContact CE-CD2 4.45Å; M112-L447 HydrophobicContact CG-CD1 4.42Å; M112-L447 HydrophobicContact SD-CD1 4.24Å; A116-L447 HydrophobicContact CB-CB 3.93Å; A116-L447 HydrophobicContact CB-CD1 4.37Å; L122-L447 HydrophobicContact CD1-CG 4.13Å; L122-L447 HydrophobicContact CD2-CD1 4.04Å; L122-L447 HydrophobicContact CD2-CG 4.37Å; I413-L447 HydrophobicContact CG2-CD2 4.23Å; Y417-L447 HydrophobicContact CD1-CB 3.99Å; Y417-L447 HydrophobicContact CD1-CD1 4.47Å; Y417-L447 HydrophobicContact CD2-CD1 4.24Å; Y417-L447 HydrophobicContact CG-CB 4.13Å; Y417-L447 HydrophobicContact CG-CD1 4.12Å; S418-L447 WeakPolarHBondContact O-CA 3.44Å; F419-L447 HydrophobicContact CD1-CD2 3.51Å; F419-L447 HydrophobicContact CE1-CD2 3.63Å; F419-L447 HydrophobicContact CG-CD2 4.36Å
448I94.5Very high93.3Very high88 Ų8861.7 Ų61.745%0.45131%0.305SS..EExtended strand (participates in β ladder)trans-104.1120.6174.1-57.3179.2000107.8Y417 S418Y417-I448 CarbonylContact C-O 3.26Å; Y417-I448 WeakPolarHBondContact CA-O 3.49Å; S418-I448 PolarHBondContact N-O 3.43Å; S418-I448 PolarHBondContact O-N 2.69Å
449P93.7Very high93.6Very high87 Ų8765 Ų6557%0.56532%0.315SS*.EExtended strand (participates in β ladder)trans-56.3144.1176.7-2534.2000113Y417Y417-P449 HydrophobicContact CD1-CB 4.41Å; Y417-P449 HydrophobicContact CD1-CG 4.33Å; Y417-P449 HydrophobicContact CE1-CB 4.43Å; Y417-P449 HydrophobicContact CE1-CG 4.22Å
450R91.1Very high93.9Very high118 Ų11868.9 Ų68.945%0.44533%0.328SS..  trans-107.10174.8-65.8-179.474.6-141.5-10.2112.6D289 K295 L414 R416 S418D289-R450 IonicContact OD1-CZ 2.6Å; D289-R450 IonicContact OD1-NH1 3.26Å; D289-R450 PolarHBondContact OD1-NH1 2.99Å; D289-R450 VanDerWaalsContact OD1-NH1 3.12Å; D289-R450 IonicContact OD1-NH2 3.33Å; D289-R450 IonicContact OD2-CZ 3.54Å; D289-R450 IonicContact OD2-NH1 3.61Å; D289-R450 IonicContact OD2-NH2 2.63Å; D289-R450 PolarHBondContact OD2-NH2 3.38Å; K295-R450 PolarHBondContact NZ-O 3.22Å; L414-R450 WeakPolarHBondContact O-CD 3.34Å; L414-R450 PolarHBondContact O-NH1 3.48Å; R416-R450 PolarHBondContact O-N 3.25Å; S418-R450 WeakPolarHBondContact OG-CG 3.34Å

Retrieved 450 of 450 residues in 303.8 ms (Link to these results)

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