A0A087YP50_POEFO Loading...

Chloride intracellular channel protein 2

In the soluble state, catalyzes glutaredoxin-like thiol disulfide exchange reactions with reduced glutathione as electron donor. Displays weak glutathione peroxidase activity. Can insert into membranes and form chloride ion channels. Membrane insertion seems to be redox-regulated and may occur only under oxidizing conditions. Modulates the activity of RYR2 and inhibits calcium influx.

AlphaFold DB , UniProt , Accession A0A087YP50, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 239 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
1M46.5Very low84.6Confident241 Ų24175.9 Ų75.9100%1.18741%0.405SS*.  0127.40-70.9173.4174.300106.1E3M1-E3 PolarHBondContact O-N 3.29Å
2A60.6Low85.2Confident100 Ų10075.9 Ų75.983%0.82640%0.399SS*.PPolyproline II helixtrans-64.313117700000108.5T4A2-T4 PolarHBondContact O-N 3.3Å
3E75Confident85.7Confident187 Ų18770.6 Ų70.687%0.87437%0.373SS*.PPolyproline II helixtrans-63.6132.9179.7-152.7167.8-164.100109.2M1M1-E3 PolarHBondContact O-N 3.29Å
4T82.8Confident86Confident104 Ų10466.3 Ų66.364%0.63835%0.351SS*.PPolyproline II helixtrans-64.5127.1178.8-52.20000108.5A2 K6A2-T4 PolarHBondContact O-N 3.3Å; T4-K6 PolarHBondContact O-N 3.4Å
5P90.3Very high85.8Confident16 Ų1667.7 Ų67.710%0.10436%0.359CS..PPolyproline II helixtrans-66.1140.9-175.129.2-36.2000110.4I7 I38 Y68 N69P5-I7 HydrophobicContact CB-CG1 4.31Å; P5-I7 HydrophobicContact CG-CD1 4.25Å; P5-I7 HydrophobicContact CG-CG1 4.38Å; P5-I7 PolarHBondContact O-N 3.13Å; P5-I38 HydrophobicContact CG-CD1 3.74Å; P5-Y68 HydrophobicContact CB-CE1 4.03Å; P5-Y68 HydrophobicContact CB-CE2 3.7Å; P5-Y68 VanDerWaalsContact CB-CZ 3.41Å; P5-Y68 VanDerWaalsContact CB-OH 3.29Å; P5-Y68 WeakPolarHBondContact CB-OH 3.43Å; P5-Y68 HydrophobicContact CG-CE2 4.08Å; P5-N69 VanDerWaalsContact CA-OD1 3.25Å; P5-N69 WeakPolarHBondContact CA-OD1 3.39Å
6K95.1Very high85.6Confident129 Ų12969.1 Ų69.156%0.56137%0.366SS*.  trans-84113.9172.6-170-178.3178.5-147.90108.5T4 E8 N69T4-K6 PolarHBondContact O-N 3.4Å; K6-E8 WeakPolarHBondContact CE-OE1 3.16Å; K6-E8 IonicContact NZ-OE1 3.82Å; K6-E8 PolarHBondContact NZ-OE1 2.98Å; K6-N69 PolarHBondContact N-OD1 2.87Å; K6-N69 PolarHBondContact O-N 3.09Å
7I97.2Very high85.3Confident4 Ų466.5 Ų66.52%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-118.3125.5-177.2-54.1-173.6000109.4P5 L33 I38 F40 T41 L66 I67 Y68 L87P5-I7 HydrophobicContact CB-CG1 4.31Å; P5-I7 HydrophobicContact CG-CD1 4.25Å; P5-I7 HydrophobicContact CG-CG1 4.38Å; P5-I7 PolarHBondContact O-N 3.13Å; I7-L33 HydrophobicContact CD1-CD2 4.39Å; I7-L33 HydrophobicContact CG2-CD1 4.15Å; I7-L33 HydrophobicContact CG2-CD2 4.09Å; I7-I38 HydrophobicContact CD1-CD1 3.54Å; I7-I38 HydrophobicContact CD1-CG1 4.07Å; I7-I38 HydrophobicContact CD1-CG2 4.09Å; I7-F40 HydrophobicContact CB-CB 3.78Å; I7-F40 HydrophobicContact CG2-CB 3.78Å; I7-F40 CarbonylContact O-C 3.49Å; I7-F40 VanDerWaalsContact O-CA 3.24Å; I7-F40 WeakPolarHBondContact O-CA 3.35Å; I7-F40 WeakPolarHBondContact O-CB 3.36Å; I7-T41 PolarHBondContact O-N 3.21Å; I7-L66 HydrophobicContact CG2-CD1 3.56Å; I7-L66 HydrophobicContact CG2-CG 4.31Å; I7-I67 WeakPolarHBondContact CA-O 3.46Å; I7-Y68 HydrophobicContact CD1-CD2 3.88Å; I7-Y68 HydrophobicContact CD1-CE2 3.74Å; I7-Y68 HydrophobicContact CG1-CD2 3.74Å; I7-Y68 HydrophobicContact CG1-CE2 3.94Å; I7-L87 HydrophobicContact CD1-CD1 4.37Å
8E96.4Very high84.9Confident40 Ų4071.7 Ų71.719%0.18738%0.379CS..EExtended strand (participates in β ladder)trans-125.9117.5173.7-55.6-177.3-14200109K6 F10 T41 L66 I67K6-E8 WeakPolarHBondContact CE-OE1 3.16Å; K6-E8 IonicContact NZ-OE1 3.82Å; K6-E8 PolarHBondContact NZ-OE1 2.98Å; E8-F10 HydrophobicContact CB-CD2 4.47Å; E8-F10 HydrophobicContact CB-CE2 3.71Å; E8-F10 HydrophobicContact CB-CZ 4.34Å; E8-T41 CarbonylContact C-O 3.56Å; E8-T41 WeakPolarHBondContact CA-O 3.11Å; E8-L66 WeakPolarHBondContact O-CA 3.44Å; E8-I67 HydrophobicContact CB-CB 4.33Å; E8-I67 PolarHBondContact N-O 3.07Å; E8-I67 PolarHBondContact O-N 3.36Å
9L96.8Very high85Confident0 Ų069.6 Ų69.60%037%0.371CS..EExtended strand (participates in β ladder)trans-98.7122.2176.6177.766.6000109.5V11 L29 F30 L33 F40 T41 L42 T43 L66L9-V11 HydrophobicContact CD2-CG1 3.88Å; L9-V11 HydrophobicContact CG-CG1 3.86Å; L9-L29 HydrophobicContact CD1-CB 3.99Å; L9-L29 HydrophobicContact CD1-CD1 4.26Å; L9-L29 HydrophobicContact CD2-CB 4.3Å; L9-F30 HydrophobicContact CD2-CB 3.87Å; L9-F30 HydrophobicContact CD2-CG 4.43Å; L9-L33 HydrophobicContact CB-CD1 3.82Å; L9-L33 HydrophobicContact CD2-CD1 4Å; L9-L33 HydrophobicContact CG-CD1 4.33Å; L9-F40 HydrophobicContact CB-CD2 4.11Å; L9-F40 HydrophobicContact CB-CE2 4.42Å; L9-F40 HydrophobicContact CD2-CE2 4.49Å; L9-T41 PolarHBondContact N-O 2.89Å; L9-L42 HydrophobicContact CB-CD1 4.33Å; L9-L42 HydrophobicContact CD2-CD1 3.92Å; L9-L42 HydrophobicContact CG-CD1 4.2Å; L9-T43 PolarHBondContact O-N 3.4Å; L9-L66 HydrophobicContact CB-CD1 4.17Å; L9-L66 HydrophobicContact CD1-CD1 4.15Å
10F94.8Very high85.3Confident14 Ų1467.5 Ų67.56%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-100.5119.3176.8-67.1-100.8000109.7E8 T43 V45 P64 F65 I67E8-F10 HydrophobicContact CB-CD2 4.47Å; E8-F10 HydrophobicContact CB-CE2 3.71Å; E8-F10 HydrophobicContact CB-CZ 4.34Å; F10-T43 CarbonylContact C-O 3.08Å; F10-T43 VanDerWaalsContact CA-O 3.31Å; F10-T43 WeakPolarHBondContact CA-O 3.15Å; F10-T43 HydrophobicContact CD1-CG2 3.69Å; F10-T43 HydrophobicContact CE1-CG2 3.6Å; F10-V45 HydrophobicContact CB-CG2 3.96Å; F10-V45 HydrophobicContact CD1-CG2 3.82Å; F10-V45 HydrophobicContact CG-CG2 4.39Å; F10-P64 VanDerWaalsContact O-CA 3.29Å; F10-P64 WeakPolarHBondContact O-CA 3.36Å; F10-F65 HydrophobicContact CB-CD1 3.92Å; F10-F65 HydrophobicContact CB-CD2 3.91Å; F10-F65 HydrophobicContact CB-CE1 3.52Å; F10-F65 HydrophobicContact CB-CE2 3.53Å; F10-F65 HydrophobicContact CB-CG 4.09Å; F10-F65 HydrophobicContact CB-CZ 3.3Å; F10-F65 HydrophobicContact CD1-CE1 4.5Å; F10-F65 AromaticContact CD1-CE2 3.85Å; F10-F65 HydrophobicContact CD1-CE2 3.85Å; F10-F65 AromaticContact CD1-CZ 3.59Å; F10-F65 HydrophobicContact CD1-CZ 3.59Å; F10-F65 AromaticContact CD2-CD2 3.77Å; F10-F65 HydrophobicContact CD2-CD2 3.77Å; F10-F65 AromaticContact CD2-CE2 3.28Å; F10-F65 HydrophobicContact CD2-CE2 3.28Å; F10-F65 AromaticContact CD2-CZ 3.87Å; F10-F65 HydrophobicContact CD2-CZ 3.87Å; F10-F65 HydrophobicContact CE1-CE2 4.39Å; F10-F65 HydrophobicContact CE1-CZ 4.36Å; F10-F65 AromaticContact CE2-CE2 3.91Å; F10-F65 HydrophobicContact CE2-CE2 3.91Å; F10-F65 AromaticContact CG-CD2 3.98Å; F10-F65 HydrophobicContact CG-CD2 3.98Å; F10-F65 HydrophobicContact CG-CE1 4.06Å; F10-F65 AromaticContact CG-CE2 3.25Å; F10-F65 HydrophobicContact CG-CE2 3.25Å; F10-F65 AromaticContact CG-CZ 3.29Å; F10-F65 HydrophobicContact CG-CZ 3.29Å; F10-F65 HydrophobicContact CZ-CE2 4.42Å; F10-F65 PolarHBondContact N-O 3.43Å; F10-F65 PolarHBondContact O-N 3.09Å; F10-I67 HydrophobicContact CD2-CD1 4.48Å; F10-I67 HydrophobicContact CD2-CG1 4.36Å; F10-I67 HydrophobicContact CE2-CB 4.39Å; F10-I67 HydrophobicContact CE2-CD1 3.55Å; F10-I67 HydrophobicContact CE2-CG1 3.77Å; F10-I67 HydrophobicContact CZ-CD1 3.95Å
11V94.8Very high85.6Confident0 Ų064.3 Ų64.30%034%0.344CS..EExtended strand (participates in β ladder)trans-117.9157.9-179-60.40000110.6L9 A13 V20 C26 L42 T43 T44 V45L9-V11 HydrophobicContact CD2-CG1 3.88Å; L9-V11 HydrophobicContact CG-CG1 3.86Å; V11-A13 PolarHBondContact O-N 2.74Å; V11-V20 HydrophobicContact CG2-CG2 4.5Å; V11-C26 HydrophobicContact CB-CB 3.86Å; V11-C26 HydrophobicContact CG1-CB 3.83Å; V11-L42 HydrophobicContact CB-CD1 4.46Å; V11-L42 HydrophobicContact CG1-CD1 3.72Å; V11-L42 HydrophobicContact CG2-CD1 3.88Å; V11-L42 HydrophobicContact CG2-CG 4.24Å; V11-T43 PolarHBondContact N-O 3.38Å; V11-T44 HydrophobicContact CG2-CG2 3.83Å; V11-T44 CarbonylContact O-C 3.57Å; V11-T44 WeakPolarHBondContact O-CA 3.32Å; V11-V45 PolarHBondContact O-N 2.91Å
12K92.5Very high87.8Confident76 Ų7653.7 Ų53.733%0.3329%0.292SS..EExtended strand (participates in β ladder)trans-63.1129.8174.6-175.2-177.8170.7-167.90109.8G21 C23 P63K12-G21 WeakPolarHBondContact O-CA 3.48Å; K12-G21 PolarHBondContact O-N 3.49Å; K12-C23 HydrophobicContact CB-CB 4.05Å; K12-C23 HydrophobicContact CD-CB 4.34Å; K12-P63 HydrophobicContact CB-CB 4.33Å
13A91.3Very high89.5Confident7 Ų749.7 Ų49.76%0.05826%0.257CS..BIsolated β-bridgetrans-73.7154.1170.600000111.3V11 S19 V45 D46V11-A13 PolarHBondContact O-N 2.74Å; A13-S19 CarbonylContact C-O 3.58Å; A13-S19 WeakPolarHBondContact CA-O 3.38Å; A13-V45 VanDerWaalsContact CB-C 3.45Å; A13-V45 WeakPolarHBondContact CB-O 3.24Å; A13-V45 PolarHBondContact N-O 3.38Å; A13-D46 HydrophobicContact CB-CB 4.4Å
14S89.9Confident90.5Very high10 Ų1041.5 Ų41.57%0.0722%0.22CC..  trans-72.7-179.6169.3890000110.9D16 A17 S19 E225S14-D16 PolarHBondContact O-N 3.32Å; S14-D16 PolarHBondContact OG-N 2.9Å; S14-D16 VanDerWaalsContact OG-N 3.15Å; S14-D16 PolarHBondContact OG-OD1 3.39Å; S14-D16 PolarHBondContact OG-OD2 3.16Å; S14-A17 PolarHBondContact O-N 3.39Å; S14-S19 VanDerWaalsContact CB-OG 3.3Å; S14-S19 WeakPolarHBondContact CB-OG 3.43Å; S14-S19 PolarHBondContact N-O 2.83Å; S14-S19 PolarHBondContact OG-OG 3.29Å; S14-E225 WeakPolarHBondContact CB-OE2 3.39Å
15D82.5Confident91.2Very high88 Ų8841.1 Ų41.147%0.47121%0.21SC..THydrogen-bonded Turntrans-62.3-22.2175.6-157.260.5000113.7A17 R48 E225D15-A17 PolarHBondContact O-N 3.37Å; D15-R48 IonicContact OD1-CZ 3.55Å; D15-R48 IonicContact OD1-NH1 2.79Å; D15-R48 PolarHBondContact OD1-NH1 3.19Å; D15-R48 IonicContact OD1-NH2 3.17Å; D15-R48 PolarHBondContact OD1-NH2 3.41Å; D15-E225 PolarHBondContact N-OE2 3.34Å
16D83Confident91.6Very high89 Ų8940.4 Ų40.448%0.47621%0.205SC..THydrogen-bonded Turntrans-77-6.2174.37023000113.6S14 E18 S19S14-D16 PolarHBondContact O-N 3.32Å; S14-D16 PolarHBondContact OG-N 2.9Å; S14-D16 VanDerWaalsContact OG-N 3.15Å; S14-D16 PolarHBondContact OG-OD1 3.39Å; S14-D16 PolarHBondContact OG-OD2 3.16Å; D16-E18 PolarHBondContact O-N 3.06Å; D16-E18 WeakPolarHBondContact OD1-CA 3.02Å; D16-E18 PolarHBondContact OD1-N 2.92Å; D16-S19 PolarHBondContact OD1-N 2.75Å; D16-S19 PolarHBondContact OD1-OG 2.97Å; D16-S19 WeakPolarHBondContact OD2-CB 3.48Å; D16-S19 PolarHBondContact OD2-OG 2.78Å
17A79.9Confident91.7Very high25 Ų2534.4 Ų34.421%0.20718%0.18CC..SBendtrans63.34.9-177.400000116S14 D15 D46S14-A17 PolarHBondContact O-N 3.39Å; D15-A17 PolarHBondContact O-N 3.37Å; A17-D46 HydrophobicContact CB-CB 3.96Å
18E79.6Confident91.8Very high161 Ų16135 Ų3575%0.75218%0.182SC*.SBendtrans-114.6-47.9-179.1-66.3-174.5172.800111.8D16 T44D16-E18 PolarHBondContact O-N 3.06Å; D16-E18 WeakPolarHBondContact OD1-CA 3.02Å; D16-E18 PolarHBondContact OD1-N 2.92Å; E18-T44 WeakPolarHBondContact O-CG2 3.49Å; E18-T44 PolarHBondContact O-OG1 2.97Å
19S86.6Confident91.9Very high31 Ų3133.1 Ų33.122%0.21717%0.173CC..SBendtrans-84.1168.1-174.965.50000113.2A13 S14 D16 G21A13-S19 CarbonylContact C-O 3.58Å; A13-S19 WeakPolarHBondContact CA-O 3.38Å; S14-S19 VanDerWaalsContact CB-OG 3.3Å; S14-S19 WeakPolarHBondContact CB-OG 3.43Å; S14-S19 PolarHBondContact N-O 2.83Å; S14-S19 PolarHBondContact OG-OG 3.29Å; D16-S19 PolarHBondContact OD1-N 2.75Å; D16-S19 PolarHBondContact OD1-OG 2.97Å; D16-S19 WeakPolarHBondContact OD2-CB 3.48Å; D16-S19 PolarHBondContact OD2-OG 2.78Å; S19-G21 PolarHBondContact O-N 3.49Å
20V89.9Confident91.9Very high27 Ų2734.1 Ų34.116%0.16418%0.177CC..BIsolated β-bridgetrans-70124.8-179.9-1800000110.1V11 F30 L42 T44 P221V11-V20 HydrophobicContact CG2-CG2 4.5Å; V20-F30 HydrophobicContact CG2-CE1 4.44Å; V20-L42 HydrophobicContact CG2-CD2 4.21Å; V20-T44 HydrophobicContact CG2-CG2 4.44Å; V20-P221 WeakPolarHBondContact O-CB 3.37Å
21G91.9Very high92.1Very high1 Ų133.5 Ų33.51%0.0117%0.174CC..PPolyproline II helixtrans-82.3167.8-179.800000114K12 S19 C23K12-G21 WeakPolarHBondContact O-CA 3.48Å; K12-G21 PolarHBondContact O-N 3.49Å; S19-G21 PolarHBondContact O-N 3.49Å; G21-C23 PolarHBondContact O-N 3.19Å
22N93.4Very high92.3Very high18 Ų1833.5 Ų33.510%0.09617%0.174CC..SBendtrans-68.3103.7175.5174.245.2000111.4I183 E225 A229N22-I183 VanDerWaalsContact OD1-CD1 3.3Å; N22-I183 WeakPolarHBondContact OD1-CD1 3.07Å; N22-E225 HydrophobicContact CB-CG 4.18Å; N22-E225 PolarHBondContact N-OE1 3.12Å; N22-A229 HydrophobicContact CB-CB 3.85Å; N22-A229 WeakPolarHBondContact ND2-CB 2.99Å
23C95.6Very high92.6Very high16 Ų1629.9 Ų29.911%0.10816%0.159CC..  trans-158.3100.8177.6173.20000110.3K12 G21 F25 C26 Q27K12-C23 HydrophobicContact CB-CB 4.05Å; K12-C23 HydrophobicContact CD-CB 4.34Å; G21-C23 PolarHBondContact O-N 3.19Å; C23-F25 PolarHBondContact O-N 2.75Å; C23-C26 HydrophobicContact CB-CB 3.59Å; C23-C26 WeakPolarHBondContact CB-SG 3.29Å; C23-C26 WeakPolarHBondContact O-CB 3.46Å; C23-C26 PolarHBondContact O-N 2.87Å; C23-C26 VanDerWaalsContact O-N 3.09Å; C23-C26 WeakPolarHBondContact SG-CB 3.43Å; C23-C26 PolarHBondContact SG-N 2.89Å; C23-C26 CovalentContact SG-SG 2.06Å; C23-C26 PolarHBondContact SG-SG 2.93Å; C23-Q27 PolarHBondContact O-N 3.49Å; C23-Q27 VanDerWaalsContact O-N 3.09Å
24P96.8Very high92.9Very high15 Ų1533.6 Ų33.610%0.09717%0.171CC..Hα-helixtrans-65.1-27.5-176.624.3-32.2000112.9R28 F110 P179 K180 I183P24-R28 WeakPolarHBondContact O-CB 3.26Å; P24-R28 PolarHBondContact O-N 3.42Å; P24-F110 HydrophobicContact CG-CZ 4.4Å; P24-P179 HydrophobicContact CB-CB 3.76Å; P24-K180 HydrophobicContact CB-CG 4.09Å; P24-I183 HydrophobicContact CB-CD1 3.8Å; P24-I183 HydrophobicContact CG-CD1 3.78Å
25F97.1Very high93.3Very high96 Ų9634.6 Ų34.642%0.42118%0.176SC..Hα-helixtrans-71.1-36175.5-53.6-66.8000112.4C23 R28 L29 P64 T76C23-F25 PolarHBondContact O-N 2.75Å; F25-R28 WeakPolarHBondContact O-CB 3.25Å; F25-R28 PolarHBondContact O-N 2.67Å; F25-L29 PolarHBondContact O-N 3.18Å; F25-P64 HydrophobicContact CB-CG 4.01Å; F25-T76 HydrophobicContact CB-CG2 4.04Å; F25-T76 HydrophobicContact CD1-CG2 4.41Å
26C97.5Very high94Very high1 Ų130.6 Ų30.61%0.00715%0.154CC..Hα-helixtrans-68.3-46.8177.2-53.70000110.1V11 C23 R28 L29 F30 P64V11-C26 HydrophobicContact CB-CB 3.86Å; V11-C26 HydrophobicContact CG1-CB 3.83Å; C23-C26 HydrophobicContact CB-CB 3.59Å; C23-C26 WeakPolarHBondContact CB-SG 3.29Å; C23-C26 WeakPolarHBondContact O-CB 3.46Å; C23-C26 PolarHBondContact O-N 2.87Å; C23-C26 VanDerWaalsContact O-N 3.09Å; C23-C26 WeakPolarHBondContact SG-CB 3.43Å; C23-C26 PolarHBondContact SG-N 2.89Å; C23-C26 CovalentContact SG-SG 2.06Å; C23-C26 PolarHBondContact SG-SG 2.93Å; C26-R28 VanDerWaalsContact C-N 3.32Å; C26-R28 PolarHBondContact O-N 2.9Å; C26-L29 PolarHBondContact O-N 2.86Å; C26-F30 WeakPolarHBondContact O-CB 3.46Å; C26-F30 PolarHBondContact O-N 2.94Å; C26-P64 HydrophobicContact CB-CB 4.23Å
27Q98.3Very high94.6Very high4 Ų429.3 Ų29.32%0.01916%0.162CC..Hα-helixtrans-59.5-42.3174.6-175176.7600111.7C23 L29 F30 M31 P179 F216 T219 C220C23-Q27 PolarHBondContact O-N 3.49Å; C23-Q27 VanDerWaalsContact O-N 3.09Å; Q27-L29 PolarHBondContact O-N 2.94Å; Q27-F30 WeakPolarHBondContact O-CB 3.47Å; Q27-F30 PolarHBondContact O-N 3.25Å; Q27-M31 HydrophobicContact CG-CG 4.31Å; Q27-M31 HydrophobicContact CG-SD 4.25Å; Q27-M31 VanDerWaalsContact O-CG 3.31Å; Q27-M31 WeakPolarHBondContact O-CG 3.46Å; Q27-M31 PolarHBondContact O-N 2.89Å; Q27-P179 HydrophobicContact CB-CB 4.01Å; Q27-P179 HydrophobicContact CB-CG 3.98Å; Q27-P179 HydrophobicContact CG-CB 4.12Å; Q27-P179 HydrophobicContact CG-CG 3.79Å; Q27-F216 PolarHBondContact NE2-O 2.89Å; Q27-T219 WeakPolarHBondContact CG-O 3.36Å; Q27-T219 PolarHBondContact NE2-OG1 3.19Å; Q27-C220 PolarHBondContact NE2-SG 3.11Å
28R98.4Very high95.4Very high17 Ų1728.7 Ų28.76%0.06416%0.155CC..Hα-helixtrans-52.3-52.7176174.9-177.8-175.7-1742.3112.2P24 F25 C26 F30 M31 I32 N77 E80 C175 N176P24-R28 WeakPolarHBondContact O-CB 3.26Å; P24-R28 PolarHBondContact O-N 3.42Å; F25-R28 WeakPolarHBondContact O-CB 3.25Å; F25-R28 PolarHBondContact O-N 2.67Å; C26-R28 VanDerWaalsContact C-N 3.32Å; C26-R28 PolarHBondContact O-N 2.9Å; R28-F30 VanDerWaalsContact C-N 3.35Å; R28-M31 PolarHBondContact O-N 2.88Å; R28-I32 HydrophobicContact CG-CD1 3.97Å; R28-I32 WeakPolarHBondContact O-CD1 3.43Å; R28-I32 VanDerWaalsContact O-CG1 3.29Å; R28-I32 WeakPolarHBondContact O-CG1 3.22Å; R28-I32 PolarHBondContact O-N 2.84Å; R28-I32 VanDerWaalsContact O-N 3.1Å; R28-N77 PolarHBondContact NH1-OD1 3.36Å; R28-E80 IonicContact CZ-OE1 3Å; R28-E80 IonicContact CZ-OE2 2.72Å; R28-E80 IonicContact NE-OE2 2.76Å; R28-E80 PolarHBondContact NE-OE2 2.91Å; R28-E80 IonicContact NH2-OE1 2.73Å; R28-E80 PolarHBondContact NH2-OE1 2.82Å; R28-E80 IonicContact NH2-OE2 3.79Å; R28-E80 PolarHBondContact NH2-OE2 2.98Å; R28-C175 WeakPolarHBondContact CA-O 3.33Å; R28-C175 VanDerWaalsContact CB-O 3.28Å; R28-C175 WeakPolarHBondContact CB-O 3.46Å; R28-C175 HydrophobicContact CG-CB 4.19Å; R28-C175 WeakPolarHBondContact CG-O 3.3Å; R28-N176 PolarHBondContact NH1-OD1 3.36Å
29L98.6Very high96.1Very high0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-68.7-34.3-179.3-65.6-178.7000112.6L9 F25 C26 Q27 I32 L33 P64 T76 I79 E80L9-L29 HydrophobicContact CD1-CB 3.99Å; L9-L29 HydrophobicContact CD1-CD1 4.26Å; L9-L29 HydrophobicContact CD2-CB 4.3Å; F25-L29 PolarHBondContact O-N 3.18Å; C26-L29 PolarHBondContact O-N 2.86Å; Q27-L29 PolarHBondContact O-N 2.94Å; L29-I32 HydrophobicContact CD2-CD1 4.2Å; L29-I32 PolarHBondContact O-N 3.3Å; L29-L33 PolarHBondContact O-N 3.12Å; L29-P64 HydrophobicContact CD1-CB 3.91Å; L29-P64 HydrophobicContact CD1-CG 3.88Å; L29-T76 HydrophobicContact CD1-CG2 4.17Å; L29-T76 HydrophobicContact CD2-CG2 4.12Å; L29-T76 HydrophobicContact CG-CG2 3.96Å; L29-I79 HydrophobicContact CD1-CB 4.08Å; L29-I79 HydrophobicContact CD1-CD1 3.83Å; L29-I79 HydrophobicContact CD1-CG2 3.81Å; L29-I79 HydrophobicContact CD2-CB 4.2Å; L29-I79 HydrophobicContact CD2-CG2 3.87Å; L29-I79 HydrophobicContact CG-CG2 4.46Å; L29-E80 HydrophobicContact CD2-CB 4.34Å
30F98.4Very high96.6Very high21 Ų2128.5 Ų28.59%0.09216%0.155CC..Hα-helixtrans-62.6-47174.5-168.1178.7000110.8L9 V20 C26 Q27 R28 I32 L33 W34 F40 L42 T219L9-F30 HydrophobicContact CD2-CB 3.87Å; L9-F30 HydrophobicContact CD2-CG 4.43Å; V20-F30 HydrophobicContact CG2-CE1 4.44Å; C26-F30 WeakPolarHBondContact O-CB 3.46Å; C26-F30 PolarHBondContact O-N 2.94Å; Q27-F30 WeakPolarHBondContact O-CB 3.47Å; Q27-F30 PolarHBondContact O-N 3.25Å; R28-F30 VanDerWaalsContact C-N 3.35Å; F30-I32 VanDerWaalsContact C-N 3.31Å; F30-I32 PolarHBondContact O-N 2.93Å; F30-L33 PolarHBondContact O-N 2.78Å; F30-W34 HydrophobicContact CD2-CE3 4.29Å; F30-W34 AromaticContact CE2-CE3 3.69Å; F30-W34 HydrophobicContact CE2-CE3 3.69Å; F30-W34 HydrophobicContact CE2-CZ3 4Å; F30-W34 HydrophobicContact CZ-CE3 4.24Å; F30-W34 HydrophobicContact CZ-CZ3 4.09Å; F30-W34 WeakPolarHBondContact O-CB 3.45Å; F30-W34 PolarHBondContact O-N 3.37Å; F30-F40 AromaticContact CD2-CE2 3.93Å; F30-F40 HydrophobicContact CD2-CE2 3.93Å; F30-F40 AromaticContact CD2-CZ 3.52Å; F30-F40 HydrophobicContact CD2-CZ 3.52Å; F30-F40 HydrophobicContact CE2-CE2 4.01Å; F30-F40 AromaticContact CE2-CZ 3.53Å; F30-F40 HydrophobicContact CE2-CZ 3.53Å; F30-L42 HydrophobicContact CD1-CD1 4.09Å; F30-L42 HydrophobicContact CD1-CD2 4.11Å; F30-L42 HydrophobicContact CE1-CD1 4.22Å; F30-L42 HydrophobicContact CE1-CD2 3.44Å; F30-L42 VanDerWaalsContact CE1-CD2 3.44Å; F30-L42 HydrophobicContact CE1-CG 4.46Å; F30-L42 HydrophobicContact CE2-CD2 4.45Å; F30-L42 HydrophobicContact CG-CD1 4.27Å; F30-L42 HydrophobicContact CZ-CD2 3.65Å; F30-T219 HydrophobicContact CB-CG2 4.14Å; F30-T219 HydrophobicContact CD1-CG2 3.67Å; F30-T219 HydrophobicContact CD2-CG2 3.75Å; F30-T219 HydrophobicContact CE1-CG2 3.91Å; F30-T219 HydrophobicContact CE2-CG2 3.96Å; F30-T219 HydrophobicContact CG-CG2 3.58Å; F30-T219 HydrophobicContact CZ-CG2 4.04Å
31M98.6Very high97Very high0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-57.2-43.8174.3-69.6-18068.500112Q27 R28 W34 L35 F170 C175 L178 P179 Q215 F216 T219Q27-M31 HydrophobicContact CG-CG 4.31Å; Q27-M31 HydrophobicContact CG-SD 4.25Å; Q27-M31 VanDerWaalsContact O-CG 3.31Å; Q27-M31 WeakPolarHBondContact O-CG 3.46Å; Q27-M31 PolarHBondContact O-N 2.89Å; R28-M31 PolarHBondContact O-N 2.88Å; M31-W34 PolarHBondContact O-N 2.91Å; M31-L35 WeakPolarHBondContact O-CB 3.47Å; M31-L35 WeakPolarHBondContact O-CG 3.39Å; M31-L35 PolarHBondContact O-N 3.29Å; M31-F170 HydrophobicContact CE-CD2 4.45Å; M31-F170 HydrophobicContact CE-CE2 4.22Å; M31-C175 HydrophobicContact CB-CB 4.23Å; M31-L178 HydrophobicContact CE-CD1 4.07Å; M31-P179 HydrophobicContact SD-CG 4.01Å; M31-Q215 WeakPolarHBondContact CG-O 3.38Å; M31-F216 HydrophobicContact CE-CB 3.99Å; M31-F216 HydrophobicContact CE-CD2 4.05Å; M31-F216 HydrophobicContact CE-CG 4.48Å; M31-F216 HydrophobicContact SD-CD2 3.99Å; M31-T219 HydrophobicContact CG-CG2 4.21Å; M31-T219 VanDerWaalsContact CG-OG1 3.28Å; M31-T219 WeakPolarHBondContact CG-OG1 3.34Å
32I98.7Very high97.1Very high0 Ų033.7 Ų33.70%018%0.184CC..Hα-helixtrans-62.2-50.5-179.3-69.4162.4000111.2R28 L29 F30 W34 L35 K36 E80 L83 L95 L172 C175R28-I32 HydrophobicContact CG-CD1 3.97Å; R28-I32 WeakPolarHBondContact O-CD1 3.43Å; R28-I32 VanDerWaalsContact O-CG1 3.29Å; R28-I32 WeakPolarHBondContact O-CG1 3.22Å; R28-I32 PolarHBondContact O-N 2.84Å; R28-I32 VanDerWaalsContact O-N 3.1Å; L29-I32 HydrophobicContact CD2-CD1 4.2Å; L29-I32 PolarHBondContact O-N 3.3Å; F30-I32 VanDerWaalsContact C-N 3.31Å; F30-I32 PolarHBondContact O-N 2.93Å; I32-W34 VanDerWaalsContact C-N 3.29Å; I32-W34 PolarHBondContact O-N 3.44Å; I32-L35 PolarHBondContact O-N 2.94Å; I32-K36 HydrophobicContact CG2-CG 4.45Å; I32-K36 VanDerWaalsContact O-CG 3.28Å; I32-K36 WeakPolarHBondContact O-CG 3.39Å; I32-K36 PolarHBondContact O-N 3.39Å; I32-E80 HydrophobicContact CD1-CB 4.24Å; I32-E80 HydrophobicContact CD1-CG 3.9Å; I32-E80 WeakPolarHBondContact CD1-OE2 3.48Å; I32-L83 HydrophobicContact CG2-CB 4.41Å; I32-L83 HydrophobicContact CG2-CD1 4.13Å; I32-L95 HydrophobicContact CG2-CD1 4.28Å; I32-L172 HydrophobicContact CD1-CD2 3.87Å; I32-L172 HydrophobicContact CG1-CD2 3.82Å; I32-L172 HydrophobicContact CG2-CD2 4.31Å; I32-C175 HydrophobicContact CD1-CB 4.24Å; I32-C175 HydrophobicContact CG1-CB 3.83Å
33L98.3Very high97.1Very high0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-61.4-39.2178.7-73.3173.9000112I7 L9 L29 F30 K36 G37 I38 F40 L66 L83 L87I7-L33 HydrophobicContact CD1-CD2 4.39Å; I7-L33 HydrophobicContact CG2-CD1 4.15Å; I7-L33 HydrophobicContact CG2-CD2 4.09Å; L9-L33 HydrophobicContact CB-CD1 3.82Å; L9-L33 HydrophobicContact CD2-CD1 4Å; L9-L33 HydrophobicContact CG-CD1 4.33Å; L29-L33 PolarHBondContact O-N 3.12Å; F30-L33 PolarHBondContact O-N 2.78Å; L33-K36 PolarHBondContact O-N 3.21Å; L33-G37 PolarHBondContact O-N 2.99Å; L33-I38 HydrophobicContact CD2-CG2 3.94Å; L33-F40 HydrophobicContact CB-CD1 3.71Å; L33-F40 HydrophobicContact CB-CE1 3.59Å; L33-F40 HydrophobicContact CB-CE2 4.46Å; L33-F40 HydrophobicContact CB-CG 4.23Å; L33-F40 HydrophobicContact CB-CZ 3.99Å; L33-F40 HydrophobicContact CD1-CB 4.31Å; L33-F40 HydrophobicContact CD1-CD1 4.21Å; L33-F40 HydrophobicContact CD1-CD2 3.81Å; L33-F40 HydrophobicContact CD1-CE2 4.16Å; L33-F40 HydrophobicContact CD1-CG 3.85Å; L33-F40 HydrophobicContact CG-CD1 4.48Å; L33-L66 HydrophobicContact CD1-CD1 4.02Å; L33-L83 HydrophobicContact CD2-CD1 3.84Å; L33-L83 HydrophobicContact CD2-CD2 3.71Å; L33-L83 HydrophobicContact CD2-CG 4.43Å; L33-L83 HydrophobicContact CG-CD1 4.11Å; L33-L87 HydrophobicContact CD2-CD1 4.39Å
34W98Very high96.9Very high85 Ų8536.1 Ų36.132%0.32220%0.199SC..Hα-helixtrans-62.6-48.2175.1-159.4-35.4000111.3F30 M31 I32 K36 G37 Q215 Y218 T219F30-W34 HydrophobicContact CD2-CE3 4.29Å; F30-W34 AromaticContact CE2-CE3 3.69Å; F30-W34 HydrophobicContact CE2-CE3 3.69Å; F30-W34 HydrophobicContact CE2-CZ3 4Å; F30-W34 HydrophobicContact CZ-CE3 4.24Å; F30-W34 HydrophobicContact CZ-CZ3 4.09Å; F30-W34 WeakPolarHBondContact O-CB 3.45Å; F30-W34 PolarHBondContact O-N 3.37Å; M31-W34 PolarHBondContact O-N 2.91Å; I32-W34 VanDerWaalsContact C-N 3.29Å; I32-W34 PolarHBondContact O-N 3.44Å; W34-K36 VanDerWaalsContact C-N 3.27Å; W34-K36 PolarHBondContact O-N 2.94Å; W34-G37 WeakPolarHBondContact O-CA 3.24Å; W34-G37 PolarHBondContact O-N 3.23Å; W34-Q215 HydrophobicContact CB-CG 4.42Å; W34-Q215 HydrophobicContact CD2-CG 4.45Å; W34-Q215 HydrophobicContact CG-CB 4.39Å; W34-Q215 HydrophobicContact CG-CG 3.95Å; W34-Y218 AromaticContact CH2-CD2 3.65Å; W34-Y218 HydrophobicContact CH2-CD2 3.65Å; W34-Y218 HydrophobicContact CH2-CG 4.05Å; W34-Y218 HydrophobicContact CZ2-CD2 4.08Å; W34-T219 HydrophobicContact CE3-CG2 3.64Å; W34-T219 HydrophobicContact CZ3-CG2 3.97Å
35L98.2Very high96.5Very high32 Ų3235.8 Ų35.817%0.16820%0.197CC..Hα-helixtrans-64.9-30.3178.8-75.1167.8000113M31 I32 G37 P93 L95 F170 C175 Q215M31-L35 WeakPolarHBondContact O-CB 3.47Å; M31-L35 WeakPolarHBondContact O-CG 3.39Å; M31-L35 PolarHBondContact O-N 3.29Å; I32-L35 PolarHBondContact O-N 2.94Å; L35-G37 PolarHBondContact O-N 3.27Å; L35-P93 VanDerWaalsContact O-CG 3.24Å; L35-P93 WeakPolarHBondContact O-CG 3.34Å; L35-L95 HydrophobicContact CB-CD1 3.72Å; L35-L95 HydrophobicContact CB-CD2 4.06Å; L35-L95 HydrophobicContact CD1-CD1 4.46Å; L35-F170 HydrophobicContact CD1-CB 3.71Å; L35-F170 HydrophobicContact CD1-CD2 4.13Å; L35-F170 HydrophobicContact CD1-CG 4.41Å; L35-F170 HydrophobicContact CD2-CB 4.13Å; L35-F170 HydrophobicContact CD2-CD2 4.1Å; L35-C175 WeakPolarHBondContact CD1-SG 3.26Å; L35-Q215 HydrophobicContact CD2-CB 4.32Å; L35-Q215 HydrophobicContact CD2-CG 3.83Å; L35-Q215 HydrophobicContact CG-CB 4.36Å; L35-Q215 HydrophobicContact CG-CG 4.17Å
36K97.7Very high96Very high3 Ų332.5 Ų32.51%0.01318%0.184CC..Hα-helixtrans-66.5-18.9171.1-70.4-66.7-175.8178.20112.7I32 L33 W34 I38 E84 L87 Y92 P93 L95I32-K36 HydrophobicContact CG2-CG 4.45Å; I32-K36 VanDerWaalsContact O-CG 3.28Å; I32-K36 WeakPolarHBondContact O-CG 3.39Å; I32-K36 PolarHBondContact O-N 3.39Å; L33-K36 PolarHBondContact O-N 3.21Å; W34-K36 VanDerWaalsContact C-N 3.27Å; W34-K36 PolarHBondContact O-N 2.94Å; K36-I38 HydrophobicContact CB-CG2 4.27Å; K36-I38 PolarHBondContact O-N 3.07Å; K36-E84 VanDerWaalsContact CE-OE2 3.29Å; K36-E84 WeakPolarHBondContact CE-OE2 3.29Å; K36-E84 IonicContact NZ-OE2 3.42Å; K36-E84 PolarHBondContact NZ-OE2 3.3Å; K36-L87 HydrophobicContact CB-CD1 4.08Å; K36-L87 HydrophobicContact CD-CB 3.83Å; K36-L87 WeakPolarHBondContact CE-O 3.45Å; K36-L87 HydrophobicContact CG-CB 4.23Å; K36-L87 HydrophobicContact CG-CD1 4.02Å; K36-L87 PolarHBondContact NZ-O 3.31Å; K36-Y92 WeakPolarHBondContact O-CD1 3.22Å; K36-P93 PolarHBondContact NZ-O 3.15Å; K36-L95 HydrophobicContact CD-CD1 4.07Å; K36-L95 HydrophobicContact CD-CG 4.35Å; K36-L95 HydrophobicContact CG-CD1 4.12Å
37G96.1Very high95.1Very high63 Ų6335.9 Ų35.965%0.64920%0.2SC*.THydrogen-bonded Turntrans68.324.4179.900000113.1L33 W34 L35L33-G37 PolarHBondContact O-N 2.99Å; W34-G37 WeakPolarHBondContact O-CA 3.24Å; W34-G37 PolarHBondContact O-N 3.23Å; L35-G37 PolarHBondContact O-N 3.27Å
38I95Very high94.2Very high11 Ų1144.7 Ų44.76%0.05623%0.233CC..  trans-95.1145.5178.4-165.6155.7000110.6P5 I7 L33 K36 F40 L87 Y92P5-I38 HydrophobicContact CG-CD1 3.74Å; I7-I38 HydrophobicContact CD1-CD1 3.54Å; I7-I38 HydrophobicContact CD1-CG1 4.07Å; I7-I38 HydrophobicContact CD1-CG2 4.09Å; L33-I38 HydrophobicContact CD2-CG2 3.94Å; K36-I38 HydrophobicContact CB-CG2 4.27Å; K36-I38 PolarHBondContact O-N 3.07Å; I38-F40 WeakPolarHBondContact O-CD1 3.45Å; I38-L87 HydrophobicContact CB-CD1 4.46Å; I38-L87 HydrophobicContact CD1-CD1 4.03Å; I38-L87 HydrophobicContact CD1-CD2 3.52Å; I38-L87 HydrophobicContact CD1-CG 4.43Å; I38-L87 HydrophobicContact CG2-CD1 3.9Å; I38-Y92 HydrophobicContact CB-CE1 4.03Å; I38-Y92 HydrophobicContact CD1-CE1 3.85Å; I38-Y92 WeakPolarHBondContact CD1-OH 3.37Å; I38-Y92 HydrophobicContact CG1-CE1 4.14Å
39N95.6Very high92.9Very high141 Ų14153.5 Ų53.575%0.75427%0.266SS*.  trans-72.3133.1170.9-69.2-22000109.8
40F97.2Very high91.5Very high48 Ų4854.7 Ų54.721%0.21128%0.277CS..  trans-147.9158173.265.9-80.3000109.7I7 L9 F30 L33 I38 L42I7-F40 HydrophobicContact CB-CB 3.78Å; I7-F40 HydrophobicContact CG2-CB 3.78Å; I7-F40 CarbonylContact O-C 3.49Å; I7-F40 VanDerWaalsContact O-CA 3.24Å; I7-F40 WeakPolarHBondContact O-CA 3.35Å; I7-F40 WeakPolarHBondContact O-CB 3.36Å; L9-F40 HydrophobicContact CB-CD2 4.11Å; L9-F40 HydrophobicContact CB-CE2 4.42Å; L9-F40 HydrophobicContact CD2-CE2 4.49Å; F30-F40 AromaticContact CD2-CE2 3.93Å; F30-F40 HydrophobicContact CD2-CE2 3.93Å; F30-F40 AromaticContact CD2-CZ 3.52Å; F30-F40 HydrophobicContact CD2-CZ 3.52Å; F30-F40 HydrophobicContact CE2-CE2 4.01Å; F30-F40 AromaticContact CE2-CZ 3.53Å; F30-F40 HydrophobicContact CE2-CZ 3.53Å; L33-F40 HydrophobicContact CB-CD1 3.71Å; L33-F40 HydrophobicContact CB-CE1 3.59Å; L33-F40 HydrophobicContact CB-CE2 4.46Å; L33-F40 HydrophobicContact CB-CG 4.23Å; L33-F40 HydrophobicContact CB-CZ 3.99Å; L33-F40 HydrophobicContact CD1-CB 4.31Å; L33-F40 HydrophobicContact CD1-CD1 4.21Å; L33-F40 HydrophobicContact CD1-CD2 3.81Å; L33-F40 HydrophobicContact CD1-CE2 4.16Å; L33-F40 HydrophobicContact CD1-CG 3.85Å; L33-F40 HydrophobicContact CG-CD1 4.48Å; I38-F40 WeakPolarHBondContact O-CD1 3.45Å; F40-L42 HydrophobicContact CE2-CB 4.19Å; F40-L42 HydrophobicContact CE2-CD1 4.31Å
41T96.7Very high89.9Confident78 Ų7856.6 Ų56.648%0.47929%0.291SS..EExtended strand (participates in β ladder)trans-92.6130.7170.1-55.50000109.1I7 E8 L9I7-T41 PolarHBondContact O-N 3.21Å; E8-T41 CarbonylContact C-O 3.56Å; E8-T41 WeakPolarHBondContact CA-O 3.11Å; L9-T41 PolarHBondContact N-O 2.89Å
42L95.3Very high88.3Confident58 Ų5861.3 Ų61.330%0.30432%0.316SS..EExtended strand (participates in β ladder)trans-97.3124.5171.4-175.176.3000109.1L9 V11 V20 F30 F40L9-L42 HydrophobicContact CB-CD1 4.33Å; L9-L42 HydrophobicContact CD2-CD1 3.92Å; L9-L42 HydrophobicContact CG-CD1 4.2Å; V11-L42 HydrophobicContact CB-CD1 4.46Å; V11-L42 HydrophobicContact CG1-CD1 3.72Å; V11-L42 HydrophobicContact CG2-CD1 3.88Å; V11-L42 HydrophobicContact CG2-CG 4.24Å; V20-L42 HydrophobicContact CG2-CD2 4.21Å; F30-L42 HydrophobicContact CD1-CD1 4.09Å; F30-L42 HydrophobicContact CD1-CD2 4.11Å; F30-L42 HydrophobicContact CE1-CD1 4.22Å; F30-L42 HydrophobicContact CE1-CD2 3.44Å; F30-L42 VanDerWaalsContact CE1-CD2 3.44Å; F30-L42 HydrophobicContact CE1-CG 4.46Å; F30-L42 HydrophobicContact CE2-CD2 4.45Å; F30-L42 HydrophobicContact CG-CD1 4.27Å; F30-L42 HydrophobicContact CZ-CD2 3.65Å; F40-L42 HydrophobicContact CE2-CB 4.19Å; F40-L42 HydrophobicContact CE2-CD1 4.31Å
43T92.8Very high86.7Confident45 Ų4565.8 Ų65.828%0.27634%0.343SS..EExtended strand (participates in β ladder)trans-119.8121177.2-57.30000109.6L9 F10 V11L9-T43 PolarHBondContact O-N 3.4Å; F10-T43 CarbonylContact C-O 3.08Å; F10-T43 VanDerWaalsContact CA-O 3.31Å; F10-T43 WeakPolarHBondContact CA-O 3.15Å; F10-T43 HydrophobicContact CD1-CG2 3.69Å; F10-T43 HydrophobicContact CE1-CG2 3.6Å; V11-T43 PolarHBondContact N-O 3.38Å
44T91.8Very high85.4Confident41 Ų4166.5 Ų66.525%0.25235%0.347SS..EExtended strand (participates in β ladder)trans-82.8138.9172.549.60000110V11 E18 V20V11-T44 HydrophobicContact CG2-CG2 3.83Å; V11-T44 CarbonylContact O-C 3.57Å; V11-T44 WeakPolarHBondContact O-CA 3.32Å; E18-T44 WeakPolarHBondContact O-CG2 3.49Å; E18-T44 PolarHBondContact O-OG1 2.97Å; V20-T44 HydrophobicContact CG2-CG2 4.44Å
45V89.1Confident84Confident8 Ų868.2 Ų68.25%0.04836%0.357CS..EExtended strand (participates in β ladder)trans-118.3110.9-175.1-179.10000109.8F10 V11 A13 M47 A50 L54 P63F10-V45 HydrophobicContact CB-CG2 3.96Å; F10-V45 HydrophobicContact CD1-CG2 3.82Å; F10-V45 HydrophobicContact CG-CG2 4.39Å; V11-V45 PolarHBondContact O-N 2.91Å; A13-V45 VanDerWaalsContact CB-C 3.45Å; A13-V45 WeakPolarHBondContact CB-O 3.24Å; A13-V45 PolarHBondContact N-O 3.38Å; V45-M47 HydrophobicContact CG1-SD 4.01Å; V45-M47 PolarHBondContact O-N 3.4Å; V45-A50 HydrophobicContact CG1-CB 4.39Å; V45-L54 HydrophobicContact CG1-CD1 3.4Å; V45-L54 VanDerWaalsContact CG1-CD1 3.4Å; V45-L54 HydrophobicContact CG1-CD2 3.78Å; V45-L54 HydrophobicContact CG1-CG 3.86Å; V45-L54 HydrophobicContact CG2-CD2 4.33Å; V45-P63 HydrophobicContact CB-CG 3.91Å; V45-P63 HydrophobicContact CG1-CG 4.09Å; V45-P63 HydrophobicContact CG2-CG 4.26Å
46D86.6Confident82.9Confident27 Ų2773.5 Ų73.514%0.14439%0.385CS..  trans-76.3104.3168.9-177.9-7000110A13 A17 R48 R49 A50A13-D46 HydrophobicContact CB-CB 4.4Å; A17-D46 HydrophobicContact CB-CB 3.96Å; D46-R48 PolarHBondContact O-N 2.98Å; D46-R48 VanDerWaalsContact O-N 3.12Å; D46-R48 WeakPolarHBondContact OD1-CA 3.37Å; D46-R48 VanDerWaalsContact OD1-CB 3.32Å; D46-R48 WeakPolarHBondContact OD1-CB 3.44Å; D46-R48 PolarHBondContact OD1-N 2.73Å; D46-R49 HydrophobicContact CB-CB 4.32Å; D46-R49 PolarHBondContact O-N 2.78Å; D46-R49 WeakPolarHBondContact OD2-CB 3.31Å; D46-R49 WeakPolarHBondContact OD2-CD 3.32Å; D46-R49 WeakPolarHBondContact OD2-CG 3.24Å; D46-R49 IonicContact OD2-NE 2.67Å; D46-A50 WeakPolarHBondContact O-CB 3.29Å; D46-A50 PolarHBondContact O-N 3.03Å
47M78.8Confident81.8Confident72 Ų7276.5 Ų76.536%0.35540%0.401SS..THydrogen-bonded Turntrans-64-14.3-179.8-63.5-61.5-70.100114V45 L54 Q62 P63V45-M47 HydrophobicContact CG1-SD 4.01Å; V45-M47 PolarHBondContact O-N 3.4Å; M47-L54 HydrophobicContact SD-CD1 3.98Å; M47-Q62 HydrophobicContact CE-CB 4.19Å; M47-Q62 HydrophobicContact CE-CG 3.85Å; M47-P63 WeakPolarHBondContact SD-CD 3.44Å; M47-P63 HydrophobicContact SD-CG 3.75Å
48R77.9Confident80.9Confident188 Ų18873.6 Ų73.671%0.70937%0.371SS*.THydrogen-bonded Turntrans-88.5-31.5176.7-56179.8-175.7152.87.6112.2D15 D46D15-R48 IonicContact OD1-CZ 3.55Å; D15-R48 IonicContact OD1-NH1 2.79Å; D15-R48 PolarHBondContact OD1-NH1 3.19Å; D15-R48 IonicContact OD1-NH2 3.17Å; D15-R48 PolarHBondContact OD1-NH2 3.41Å; D46-R48 PolarHBondContact O-N 2.98Å; D46-R48 VanDerWaalsContact O-N 3.12Å; D46-R48 WeakPolarHBondContact OD1-CA 3.37Å; D46-R48 VanDerWaalsContact OD1-CB 3.32Å; D46-R48 WeakPolarHBondContact OD1-CB 3.44Å; D46-R48 PolarHBondContact OD1-N 2.73Å
49R71.3Confident79.8Confident202 Ų20277.9 Ų77.976%0.76240%0.399SS*.THydrogen-bonded Turntrans-112.2-21.2-170.8-63.6-178.6-172.21682.8114.9D46 P51D46-R49 HydrophobicContact CB-CB 4.32Å; D46-R49 PolarHBondContact O-N 2.78Å; D46-R49 WeakPolarHBondContact OD2-CB 3.31Å; D46-R49 WeakPolarHBondContact OD2-CD 3.32Å; D46-R49 WeakPolarHBondContact OD2-CG 3.24Å; D46-R49 IonicContact OD2-NE 2.67Å; R49-P51 VanDerWaalsContact O-CD 3.26Å; R49-P51 WeakPolarHBondContact O-CD 3.35Å
50A68.8Low78.7Confident26 Ų2675.2 Ų75.222%0.21541%0.406CS..  trans-103.730.8-17700000117.4V45 D46 D52 L54V45-A50 HydrophobicContact CG1-CB 4.39Å; D46-A50 WeakPolarHBondContact O-CB 3.29Å; D46-A50 PolarHBondContact O-N 3.03Å; A50-D52 VanDerWaalsContact C-N 3.34Å; A50-D52 PolarHBondContact O-N 2.71Å; A50-L54 WeakPolarHBondContact O-CB 3.21Å; A50-L54 VanDerWaalsContact O-CG 3.3Å; A50-L54 WeakPolarHBondContact O-CG 3.37Å; A50-L54 PolarHBondContact O-N 3.15Å
51P65.1Low77.7Confident60 Ų6074.4 Ų74.439%0.3941%0.406SS..Hα-helixtrans-60.9-38.3-179-5.210.6000113.7R49 K55R49-P51 VanDerWaalsContact O-CD 3.26Å; R49-P51 WeakPolarHBondContact O-CD 3.35Å; P51-K55 VanDerWaalsContact O-CG 3.24Å; P51-K55 WeakPolarHBondContact O-CG 3.39Å; P51-K55 PolarHBondContact O-N 2.77Å
52D66Low77Confident100 Ų10077.7 Ų77.754%0.53542%0.416SS..Hα-helixtrans-80.2-34.4-170.3-62-38.9000113.5A50 K55 N56A50-D52 VanDerWaalsContact C-N 3.34Å; A50-D52 PolarHBondContact O-N 2.71Å; D52-K55 PolarHBondContact O-N 2.79Å; D52-K55 IonicContact OD1-NZ 2.74Å; D52-K55 PolarHBondContact OD1-NZ 3.39Å; D52-N56 PolarHBondContact O-N 2.72Å
53V64.3Low76.6Confident94 Ų9475.9 Ų75.957%0.5741%0.407SS*.Hα-helixtrans-65.8-42172.3174.40000110.1N56 L57V53-N56 PolarHBondContact O-N 3.05Å; V53-L57 HydrophobicContact CG1-CD1 3.6Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 PolarHBondContact O-N 3.25Å
54L70.7Confident76.7Confident15 Ų1574.2 Ų74.28%0.07940%0.397CS..Hα-helixtrans-65.7-37.1173.5-70.9177000113.1V45 M47 A50 N56 L57 A58 F65V45-L54 HydrophobicContact CG1-CD1 3.4Å; V45-L54 VanDerWaalsContact CG1-CD1 3.4Å; V45-L54 HydrophobicContact CG1-CD2 3.78Å; V45-L54 HydrophobicContact CG1-CG 3.86Å; V45-L54 HydrophobicContact CG2-CD2 4.33Å; M47-L54 HydrophobicContact SD-CD1 3.98Å; A50-L54 WeakPolarHBondContact O-CB 3.21Å; A50-L54 VanDerWaalsContact O-CG 3.3Å; A50-L54 WeakPolarHBondContact O-CG 3.37Å; A50-L54 PolarHBondContact O-N 3.15Å; L54-N56 PolarHBondContact O-N 2.74Å; L54-L57 PolarHBondContact O-N 3.21Å; L54-A58 CarbonylContact O-C 3.55Å; L54-A58 WeakPolarHBondContact O-CA 3.27Å; L54-A58 PolarHBondContact O-N 2.81Å; L54-F65 HydrophobicContact CD2-CE1 3.51Å; L54-F65 HydrophobicContact CD2-CZ 3.42Å; L54-F65 VanDerWaalsContact CD2-CZ 3.42Å
55K69.9Low76.8Confident120 Ų12072.3 Ų72.352%0.52239%0.385SS..Hα-helixtrans-57.7-37.2176.7-82.4171.9-163.5164.10112.2P51 D52 P59P51-K55 VanDerWaalsContact O-CG 3.24Å; P51-K55 WeakPolarHBondContact O-CG 3.39Å; P51-K55 PolarHBondContact O-N 2.77Å; D52-K55 PolarHBondContact O-N 2.79Å; D52-K55 IonicContact OD1-NZ 2.74Å; D52-K55 PolarHBondContact OD1-NZ 3.39Å; K55-P59 WeakPolarHBondContact O-CA 3.37Å; K55-P59 WeakPolarHBondContact O-CB 3.2Å; K55-P59 WeakPolarHBondContact O-CD 3.4Å; K55-P59 WeakPolarHBondContact O-CG 3.49Å
56N73.8Confident77.1Confident144 Ų14471.9 Ų71.977%0.7738%0.383SS*.Hα-helixtrans-83-39.9-179.9-66.8-25.1000112.2D52 V53 L54D52-N56 PolarHBondContact O-N 2.72Å; V53-N56 PolarHBondContact O-N 3.05Å; L54-N56 PolarHBondContact O-N 2.74Å
57L76.3Confident77.5Confident66 Ų6671.3 Ų71.335%0.34638%0.38SS..Hα-helixtrans-77.8-46-178-75.8163.8000112.9V53 L54 I67 V72V53-L57 HydrophobicContact CG1-CD1 3.6Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 PolarHBondContact O-N 3.25Å; L54-L57 PolarHBondContact O-N 3.21Å; L57-I67 HydrophobicContact CD2-CD1 3.9Å; L57-V72 WeakPolarHBondContact O-CG2 3.46Å
58A75.1Confident78.3Confident2 Ų269.6 Ų69.62%0.01737%0.369CS..SBendtrans-145.274.3-176.800000110L54 G60 S61 F65 V72L54-A58 CarbonylContact O-C 3.55Å; L54-A58 WeakPolarHBondContact O-CA 3.27Å; L54-A58 PolarHBondContact O-N 2.81Å; A58-G60 PolarHBondContact O-N 2.83Å; A58-G60 VanDerWaalsContact O-N 3.16Å; A58-S61 WeakPolarHBondContact O-CB 3.45Å; A58-S61 PolarHBondContact O-N 2.06Å; A58-F65 HydrophobicContact CB-CD1 4.47Å; A58-F65 HydrophobicContact CB-CD2 3.99Å; A58-F65 HydrophobicContact CB-CE1 4.48Å; A58-F65 HydrophobicContact CB-CE2 3.98Å; A58-F65 HydrophobicContact CB-CG 4.24Å; A58-F65 HydrophobicContact CB-CZ 4.24Å; A58-V72 HydrophobicContact CB-CG1 3.84Å
59P72.5Confident79.1Confident100 Ų10064.5 Ų64.565%0.64936%0.357SS*.THydrogen-bonded Turntrans-52.5122.2-173.6-13.614.7000112.3K55 S61K55-P59 WeakPolarHBondContact O-CA 3.37Å; K55-P59 WeakPolarHBondContact O-CB 3.2Å; K55-P59 WeakPolarHBondContact O-CD 3.4Å; K55-P59 WeakPolarHBondContact O-CG 3.49Å; P59-S61 PolarHBondContact O-N 3.17Å
60G71.9Confident80Confident86 Ų8663.6 Ų63.689%0.88736%0.361SS*.THydrogen-bonded Turntrans72.21.8178.100000115.7A58A58-G60 PolarHBondContact O-N 2.83Å; A58-G60 VanDerWaalsContact O-N 3.16Å
61S76.6Confident81.1Confident30 Ų3067.8 Ų67.821%0.2138%0.376CS..PPolyproline II helixtrans-87.7139179.7-58.40000111A58 P59 T74A58-S61 WeakPolarHBondContact O-CB 3.45Å; A58-S61 PolarHBondContact O-N 2.06Å; P59-S61 PolarHBondContact O-N 3.17Å; S61-T74 VanDerWaalsContact OG-CG2 3.22Å; S61-T74 WeakPolarHBondContact OG-CG2 3.44Å
62Q81.8Confident82.4Confident148 Ų14867.6 Ų67.669%0.69237%0.374SS*.PPolyproline II helixtrans-101.8148.8169.4-62.1-156.8-7.400109.9M47M47-Q62 HydrophobicContact CE-CB 4.19Å; M47-Q62 HydrophobicContact CE-CG 3.85Å
63P87.9Confident83.8Confident20 Ų2065.4 Ų65.413%0.1336%0.359CS..SBendtrans-53.9143.7171.2-25.233.7000112.4K12 V45 M47 F65K12-P63 HydrophobicContact CB-CB 4.33Å; V45-P63 HydrophobicContact CB-CG 3.91Å; V45-P63 HydrophobicContact CG1-CG 4.09Å; V45-P63 HydrophobicContact CG2-CG 4.26Å; M47-P63 WeakPolarHBondContact SD-CD 3.44Å; M47-P63 HydrophobicContact SD-CG 3.75Å; P63-F65 HydrophobicContact CG-CE1 4.29Å
64P94.1Very high85.2Confident10 Ų1063.9 Ų63.97%0.06535%0.351CS..PPolyproline II helixcis-86.9145.9436-35.6000113.5F10 F25 C26 L29F10-P64 VanDerWaalsContact O-CA 3.29Å; F10-P64 WeakPolarHBondContact O-CA 3.36Å; F25-P64 HydrophobicContact CB-CG 4.01Å; C26-P64 HydrophobicContact CB-CB 4.23Å; L29-P64 HydrophobicContact CD1-CB 3.91Å; L29-P64 HydrophobicContact CD1-CG 3.88Å
65F94.4Very high86.3Confident0 Ų067 Ų670%037%0.367CS..EExtended strand (participates in β ladder)trans-139.9160.516762.8-89000109.8F10 L54 A58 P63 V72 K73 T74F10-F65 HydrophobicContact CB-CD1 3.92Å; F10-F65 HydrophobicContact CB-CD2 3.91Å; F10-F65 HydrophobicContact CB-CE1 3.52Å; F10-F65 HydrophobicContact CB-CE2 3.53Å; F10-F65 HydrophobicContact CB-CG 4.09Å; F10-F65 HydrophobicContact CB-CZ 3.3Å; F10-F65 HydrophobicContact CD1-CE1 4.5Å; F10-F65 AromaticContact CD1-CE2 3.85Å; F10-F65 HydrophobicContact CD1-CE2 3.85Å; F10-F65 AromaticContact CD1-CZ 3.59Å; F10-F65 HydrophobicContact CD1-CZ 3.59Å; F10-F65 AromaticContact CD2-CD2 3.77Å; F10-F65 HydrophobicContact CD2-CD2 3.77Å; F10-F65 AromaticContact CD2-CE2 3.28Å; F10-F65 HydrophobicContact CD2-CE2 3.28Å; F10-F65 AromaticContact CD2-CZ 3.87Å; F10-F65 HydrophobicContact CD2-CZ 3.87Å; F10-F65 HydrophobicContact CE1-CE2 4.39Å; F10-F65 HydrophobicContact CE1-CZ 4.36Å; F10-F65 AromaticContact CE2-CE2 3.91Å; F10-F65 HydrophobicContact CE2-CE2 3.91Å; F10-F65 AromaticContact CG-CD2 3.98Å; F10-F65 HydrophobicContact CG-CD2 3.98Å; F10-F65 HydrophobicContact CG-CE1 4.06Å; F10-F65 AromaticContact CG-CE2 3.25Å; F10-F65 HydrophobicContact CG-CE2 3.25Å; F10-F65 AromaticContact CG-CZ 3.29Å; F10-F65 HydrophobicContact CG-CZ 3.29Å; F10-F65 HydrophobicContact CZ-CE2 4.42Å; F10-F65 PolarHBondContact N-O 3.43Å; F10-F65 PolarHBondContact O-N 3.09Å; L54-F65 HydrophobicContact CD2-CE1 3.51Å; L54-F65 HydrophobicContact CD2-CZ 3.42Å; L54-F65 VanDerWaalsContact CD2-CZ 3.42Å; A58-F65 HydrophobicContact CB-CD1 4.47Å; A58-F65 HydrophobicContact CB-CD2 3.99Å; A58-F65 HydrophobicContact CB-CE1 4.48Å; A58-F65 HydrophobicContact CB-CE2 3.98Å; A58-F65 HydrophobicContact CB-CG 4.24Å; A58-F65 HydrophobicContact CB-CZ 4.24Å; P63-F65 HydrophobicContact CG-CE1 4.29Å; F65-V72 HydrophobicContact CD2-CG1 4.45Å; F65-K73 WeakPolarHBondContact CA-O 3.08Å; F65-K73 WeakPolarHBondContact CB-O 3.31Å; F65-T74 HydrophobicContact CB-CG2 4.46Å
66L95.7Very high87.5Confident0 Ų062.2 Ų62.20%035%0.348CS..EExtended strand (participates in β ladder)trans-123.2138.7-175.3-172.780.1000109.1I7 E8 L9 L33 V72 K73 I79 F82 L83I7-L66 HydrophobicContact CG2-CD1 3.56Å; I7-L66 HydrophobicContact CG2-CG 4.31Å; E8-L66 WeakPolarHBondContact O-CA 3.44Å; L9-L66 HydrophobicContact CB-CD1 4.17Å; L9-L66 HydrophobicContact CD1-CD1 4.15Å; L33-L66 HydrophobicContact CD1-CD1 4.02Å; L66-V72 CarbonylContact O-C 3.49Å; L66-V72 WeakPolarHBondContact O-CA 3.01Å; L66-K73 HydrophobicContact CB-CB 4.3Å; L66-K73 PolarHBondContact N-O 2.88Å; L66-K73 PolarHBondContact O-N 3.21Å; L66-I79 HydrophobicContact CB-CD1 4.33Å; L66-I79 HydrophobicContact CB-CG1 4.43Å; L66-I79 HydrophobicContact CB-CG2 4.01Å; L66-I79 HydrophobicContact CD2-CG2 3.94Å; L66-F82 HydrophobicContact CD2-CD1 4.48Å; L66-F82 HydrophobicContact CD2-CE1 4.46Å; L66-L83 HydrophobicContact CD2-CD2 3.84Å; L66-L83 HydrophobicContact CD2-CG 4.27Å
67I94.8Very high88.5Confident15 Ų1559.1 Ų59.18%0.07733%0.332CS..EExtended strand (participates in β ladder)trans-106122.7162.7-58.9-179.4000107.3I7 E8 F10 L57 E71 V72I7-I67 WeakPolarHBondContact CA-O 3.46Å; E8-I67 HydrophobicContact CB-CB 4.33Å; E8-I67 PolarHBondContact N-O 3.07Å; E8-I67 PolarHBondContact O-N 3.36Å; F10-I67 HydrophobicContact CD2-CD1 4.48Å; F10-I67 HydrophobicContact CD2-CG1 4.36Å; F10-I67 HydrophobicContact CE2-CB 4.39Å; F10-I67 HydrophobicContact CE2-CD1 3.55Å; F10-I67 HydrophobicContact CE2-CG1 3.77Å; F10-I67 HydrophobicContact CZ-CD1 3.95Å; L57-I67 HydrophobicContact CD2-CD1 3.9Å; I67-E71 WeakPolarHBondContact CA-O 3.43Å; I67-V72 HydrophobicContact CG1-CG2 4.18Å
68Y95.7Very high89.5Confident35 Ų3562.6 Ų62.614%0.13734%0.344CS..EExtended strand (participates in β ladder)trans-123.4111.7178.3-174-79.8000108.7P5 I7 E70 E71 F82P5-Y68 HydrophobicContact CB-CE1 4.03Å; P5-Y68 HydrophobicContact CB-CE2 3.7Å; P5-Y68 VanDerWaalsContact CB-CZ 3.41Å; P5-Y68 VanDerWaalsContact CB-OH 3.29Å; P5-Y68 WeakPolarHBondContact CB-OH 3.43Å; P5-Y68 HydrophobicContact CG-CE2 4.08Å; I7-Y68 HydrophobicContact CD1-CD2 3.88Å; I7-Y68 HydrophobicContact CD1-CE2 3.74Å; I7-Y68 HydrophobicContact CG1-CD2 3.74Å; I7-Y68 HydrophobicContact CG1-CE2 3.94Å; Y68-E70 VanDerWaalsContact C-N 3.28Å; Y68-E70 PolarHBondContact O-N 3.39Å; Y68-E71 PolarHBondContact N-O 3.05Å; Y68-E71 WeakPolarHBondContact O-CB 3.44Å; Y68-E71 PolarHBondContact O-N 3.37Å; Y68-F82 HydrophobicContact CD1-CE1 4.13Å; Y68-F82 AromaticContact CD1-CZ 3.72Å; Y68-F82 HydrophobicContact CD1-CZ 3.72Å; Y68-F82 AromaticContact CD2-CE1 3.68Å; Y68-F82 HydrophobicContact CD2-CE1 3.68Å; Y68-F82 HydrophobicContact CD2-CZ 4.11Å; Y68-F82 HydrophobicContact CE1-CZ 4.1Å; Y68-F82 HydrophobicContact CE2-CE1 4.18Å; Y68-F82 HydrophobicContact CE2-CZ 4.44Å; Y68-F82 AromaticContact CG-CE1 3.65Å; Y68-F82 HydrophobicContact CG-CE1 3.65Å; Y68-F82 AromaticContact CG-CZ 3.73Å; Y68-F82 HydrophobicContact CG-CZ 3.73Å
69N93.8Very high90.6Very high82 Ų8262.5 Ų62.544%0.43934%0.343SS..THydrogen-bonded Turntrans46.352.1-175-66.2-14000112.1P5 K6 E71P5-N69 VanDerWaalsContact CA-OD1 3.25Å; P5-N69 WeakPolarHBondContact CA-OD1 3.39Å; K6-N69 PolarHBondContact N-OD1 2.87Å; K6-N69 PolarHBondContact O-N 3.09Å; N69-E71 PolarHBondContact O-N 3.4Å; N69-E71 VanDerWaalsContact O-N 3.13Å
70E90Very high91.9Very high183 Ų18358.8 Ų58.886%0.85532%0.317SS*.THydrogen-bonded Turntrans73.2-9.7-179.6-4717816600115.5Y68Y68-E70 VanDerWaalsContact C-N 3.28Å; Y68-E70 PolarHBondContact O-N 3.39Å
71E92.6Very high93.1Very high114 Ų11460.9 Ų60.953%0.53330%0.304SS..EExtended strand (participates in β ladder)trans-87.6125.1174.9-65.1-172.1177.800112.1I67 Y68 N69 K73I67-E71 WeakPolarHBondContact CA-O 3.43Å; Y68-E71 PolarHBondContact N-O 3.05Å; Y68-E71 WeakPolarHBondContact O-CB 3.44Å; Y68-E71 PolarHBondContact O-N 3.37Å; N69-E71 PolarHBondContact O-N 3.4Å; N69-E71 VanDerWaalsContact O-N 3.13Å; E71-K73 IonicContact OE2-NZ 2.75Å; E71-K73 PolarHBondContact OE2-NZ 3.24Å
72V93.3Very high94.1Very high56 Ų5661.1 Ų61.134%0.33930%0.301SS..EExtended strand (participates in β ladder)trans-79.7128.1176.3-177.50000109.5L57 A58 F65 L66 I67 T74L57-V72 WeakPolarHBondContact O-CG2 3.46Å; A58-V72 HydrophobicContact CB-CG1 3.84Å; F65-V72 HydrophobicContact CD2-CG1 4.45Å; L66-V72 CarbonylContact O-C 3.49Å; L66-V72 WeakPolarHBondContact O-CA 3.01Å; I67-V72 HydrophobicContact CG1-CG2 4.18Å; V72-T74 HydrophobicContact CG1-CG2 4.11Å
73K94.7Very high94.9Very high53 Ų5354 Ų5423%0.2327%0.268CS..EExtended strand (participates in β ladder)trans-115.8130.7172-51.5-62.5177.5-167.50108.9F65 L66 E71 I79 F82F65-K73 WeakPolarHBondContact CA-O 3.08Å; F65-K73 WeakPolarHBondContact CB-O 3.31Å; L66-K73 HydrophobicContact CB-CB 4.3Å; L66-K73 PolarHBondContact N-O 2.88Å; L66-K73 PolarHBondContact O-N 3.21Å; E71-K73 IonicContact OE2-NZ 2.75Å; E71-K73 PolarHBondContact OE2-NZ 3.24Å; K73-I79 HydrophobicContact CB-CG1 3.82Å; K73-I79 WeakPolarHBondContact O-CD1 3.48Å; K73-F82 HydrophobicContact CG-CD1 4.49Å
74T92.6Very high95.4Very high63 Ų6354.6 Ų54.639%0.38727%0.269SS..  trans-122.8169.1-179.863.50000109.1S61 F65 V72S61-T74 VanDerWaalsContact OG-CG2 3.22Å; S61-T74 WeakPolarHBondContact OG-CG2 3.44Å; F65-T74 HydrophobicContact CB-CG2 4.46Å; V72-T74 HydrophobicContact CG1-CG2 4.11Å
75D94.1Very high95.5Very high80 Ų8060.6 Ų60.643%0.42830%0.296SS..SBendtrans69.4117-171.5-175.2-69.9000112.4N77 K78 I79D75-N77 VanDerWaalsContact C-N 3.29Å; D75-N77 PolarHBondContact O-N 3.36Å; D75-N77 WeakPolarHBondContact OD1-CB 3.49Å; D75-N77 PolarHBondContact OD1-N 3.37Å; D75-K78 HydrophobicContact CB-CB 4.15Å; D75-K78 HydrophobicContact CB-CD 4.1Å; D75-K78 HydrophobicContact CB-CG 4.11Å; D75-K78 PolarHBondContact O-N 3.48Å; D75-K78 PolarHBondContact OD1-N 3.38Å; D75-I79 WeakPolarHBondContact O-CD1 3.49Å; D75-I79 WeakPolarHBondContact O-CG1 3.4Å; D75-I79 PolarHBondContact O-N 3.3Å
76T95.6Very high95.6Very high19 Ų1965.6 Ų65.612%0.11732%0.318CS..Hα-helixtrans-58.8-38.1-174.8-53.20000113.2F25 L29 E80F25-T76 HydrophobicContact CB-CG2 4.04Å; F25-T76 HydrophobicContact CD1-CG2 4.41Å; L29-T76 HydrophobicContact CD1-CG2 4.17Å; L29-T76 HydrophobicContact CD2-CG2 4.12Å; L29-T76 HydrophobicContact CG-CG2 3.96Å; T76-E80 PolarHBondContact O-N 3.37Å
77N96.1Very high95.6Very high80 Ų8065.6 Ų65.643%0.42832%0.318SS..Hα-helixtrans-74.5-41.7-177.8-62.6-41.3000110.5R28 D75 I79 E80 E81R28-N77 PolarHBondContact NH1-OD1 3.36Å; D75-N77 VanDerWaalsContact C-N 3.29Å; D75-N77 PolarHBondContact O-N 3.36Å; D75-N77 WeakPolarHBondContact OD1-CB 3.49Å; D75-N77 PolarHBondContact OD1-N 3.37Å; N77-I79 VanDerWaalsContact C-N 3.32Å; N77-I79 PolarHBondContact O-N 3.32Å; N77-E80 PolarHBondContact O-N 2.93Å; N77-E81 WeakPolarHBondContact O-CG 3.5Å; N77-E81 PolarHBondContact O-N 3.34Å
78K97.3Very high95.5Very high139 Ų13966.6 Ų66.660%0.60433%0.328SS*.Hα-helixtrans-63.3-38.3175.3-66.2-175-178.3178.90112.4D75 F82D75-K78 HydrophobicContact CB-CB 4.15Å; D75-K78 HydrophobicContact CB-CD 4.1Å; D75-K78 HydrophobicContact CB-CG 4.11Å; D75-K78 PolarHBondContact O-N 3.48Å; D75-K78 PolarHBondContact OD1-N 3.38Å; K78-F82 VanDerWaalsContact O-CB 3.24Å; K78-F82 WeakPolarHBondContact O-CB 3.38Å; K78-F82 PolarHBondContact O-N 3.05Å
79I98.1Very high95.5Very high0 Ų068.9 Ų68.90%035%0.347CS..Hα-helixtrans-63.9-44.7174.9-65.2162.2000110.4L29 L66 K73 D75 N77 F82 L83L29-I79 HydrophobicContact CD1-CB 4.08Å; L29-I79 HydrophobicContact CD1-CD1 3.83Å; L29-I79 HydrophobicContact CD1-CG2 3.81Å; L29-I79 HydrophobicContact CD2-CB 4.2Å; L29-I79 HydrophobicContact CD2-CG2 3.87Å; L29-I79 HydrophobicContact CG-CG2 4.46Å; L66-I79 HydrophobicContact CB-CD1 4.33Å; L66-I79 HydrophobicContact CB-CG1 4.43Å; L66-I79 HydrophobicContact CB-CG2 4.01Å; L66-I79 HydrophobicContact CD2-CG2 3.94Å; K73-I79 HydrophobicContact CB-CG1 3.82Å; K73-I79 WeakPolarHBondContact O-CD1 3.48Å; D75-I79 WeakPolarHBondContact O-CD1 3.49Å; D75-I79 WeakPolarHBondContact O-CG1 3.4Å; D75-I79 PolarHBondContact O-N 3.3Å; N77-I79 VanDerWaalsContact C-N 3.32Å; N77-I79 PolarHBondContact O-N 3.32Å; I79-F82 PolarHBondContact O-N 2.9Å; I79-L83 HydrophobicContact CG2-CD1 3.88Å; I79-L83 HydrophobicContact CG2-CG 4.23Å; I79-L83 WeakPolarHBondContact O-CB 3.32Å; I79-L83 VanDerWaalsContact O-CG 3.27Å; I79-L83 WeakPolarHBondContact O-CG 3.44Å; I79-L83 PolarHBondContact O-N 2.76Å
80E98.4Very high95.5Very high22 Ų2271 Ų7110%0.10337%0.366CS..Hα-helixtrans-59.5-49.8176.2173.3173.3113.900112.1R28 L29 I32 T76 N77 F82 L83 E84 L172R28-E80 IonicContact CZ-OE1 3Å; R28-E80 IonicContact CZ-OE2 2.72Å; R28-E80 IonicContact NE-OE2 2.76Å; R28-E80 PolarHBondContact NE-OE2 2.91Å; R28-E80 IonicContact NH2-OE1 2.73Å; R28-E80 PolarHBondContact NH2-OE1 2.82Å; R28-E80 IonicContact NH2-OE2 3.79Å; R28-E80 PolarHBondContact NH2-OE2 2.98Å; L29-E80 HydrophobicContact CD2-CB 4.34Å; I32-E80 HydrophobicContact CD1-CB 4.24Å; I32-E80 HydrophobicContact CD1-CG 3.9Å; I32-E80 WeakPolarHBondContact CD1-OE2 3.48Å; T76-E80 PolarHBondContact O-N 3.37Å; N77-E80 PolarHBondContact O-N 2.93Å; E80-F82 VanDerWaalsContact C-N 3.3Å; E80-F82 PolarHBondContact O-N 2.89Å; E80-L83 PolarHBondContact O-N 3.3Å; E80-E84 PolarHBondContact O-N 3.1Å; E80-L172 HydrophobicContact CG-CD1 3.99Å; E80-L172 HydrophobicContact CG-CD2 3.93Å; E80-L172 HydrophobicContact CG-CG 4.44Å
81E98Very high95.7Very high130 Ų13068.6 Ų68.661%0.60736%0.358SS*.Hα-helixtrans-57-45.8177.5-72.6170-171.900111.1N77 E84 E85N77-E81 WeakPolarHBondContact O-CG 3.5Å; N77-E81 PolarHBondContact O-N 3.34Å; E81-E84 PolarHBondContact O-N 2.67Å; E81-E85 WeakPolarHBondContact O-CB 3.28Å; E81-E85 PolarHBondContact O-N 2.91Å
82F98.1Very high95.9Very high34 Ų3465.8 Ų65.815%0.14934%0.343CS..Hα-helixtrans-60.5-45.8176.7172.3-95.9000112.4L66 Y68 K73 K78 I79 E80 E85 K86L66-F82 HydrophobicContact CD2-CD1 4.48Å; L66-F82 HydrophobicContact CD2-CE1 4.46Å; Y68-F82 HydrophobicContact CD1-CE1 4.13Å; Y68-F82 AromaticContact CD1-CZ 3.72Å; Y68-F82 HydrophobicContact CD1-CZ 3.72Å; Y68-F82 AromaticContact CD2-CE1 3.68Å; Y68-F82 HydrophobicContact CD2-CE1 3.68Å; Y68-F82 HydrophobicContact CD2-CZ 4.11Å; Y68-F82 HydrophobicContact CE1-CZ 4.1Å; Y68-F82 HydrophobicContact CE2-CE1 4.18Å; Y68-F82 HydrophobicContact CE2-CZ 4.44Å; Y68-F82 AromaticContact CG-CE1 3.65Å; Y68-F82 HydrophobicContact CG-CE1 3.65Å; Y68-F82 AromaticContact CG-CZ 3.73Å; Y68-F82 HydrophobicContact CG-CZ 3.73Å; K73-F82 HydrophobicContact CG-CD1 4.49Å; K78-F82 VanDerWaalsContact O-CB 3.24Å; K78-F82 WeakPolarHBondContact O-CB 3.38Å; K78-F82 PolarHBondContact O-N 3.05Å; I79-F82 PolarHBondContact O-N 2.9Å; E80-F82 VanDerWaalsContact C-N 3.3Å; E80-F82 PolarHBondContact O-N 2.89Å; F82-E85 PolarHBondContact O-N 2.73Å; F82-K86 HydrophobicContact CD2-CG 3.92Å; F82-K86 HydrophobicContact CE1-CG 4.23Å; F82-K86 HydrophobicContact CE2-CD 4.34Å; F82-K86 HydrophobicContact CE2-CG 3.56Å; F82-K86 HydrophobicContact CG-CG 4.4Å; F82-K86 HydrophobicContact CZ-CG 3.74Å; F82-K86 WeakPolarHBondContact O-CB 3.24Å; F82-K86 WeakPolarHBondContact O-CG 3.29Å; F82-K86 PolarHBondContact O-N 2.75Å
83L98Very high96.1Very high0 Ų065.9 Ų65.90%035%0.345CS..Hα-helixtrans-66.2-39.6179-72174.4000111.7I32 L33 L66 I79 E80 L87I32-L83 HydrophobicContact CG2-CB 4.41Å; I32-L83 HydrophobicContact CG2-CD1 4.13Å; L33-L83 HydrophobicContact CD2-CD1 3.84Å; L33-L83 HydrophobicContact CD2-CD2 3.71Å; L33-L83 HydrophobicContact CD2-CG 4.43Å; L33-L83 HydrophobicContact CG-CD1 4.11Å; L66-L83 HydrophobicContact CD2-CD2 3.84Å; L66-L83 HydrophobicContact CD2-CG 4.27Å; I79-L83 HydrophobicContact CG2-CD1 3.88Å; I79-L83 HydrophobicContact CG2-CG 4.23Å; I79-L83 WeakPolarHBondContact O-CB 3.32Å; I79-L83 VanDerWaalsContact O-CG 3.27Å; I79-L83 WeakPolarHBondContact O-CG 3.44Å; I79-L83 PolarHBondContact O-N 2.76Å; E80-L83 PolarHBondContact O-N 3.3Å; L83-L87 HydrophobicContact CD2-CD1 3.91Å; L83-L87 WeakPolarHBondContact O-CA 3.49Å; L83-L87 WeakPolarHBondContact O-CB 3.15Å; L83-L87 PolarHBondContact O-N 2.64Å
84E97.8Very high96.2Very high32 Ų3270.9 Ų70.915%0.1537%0.367CS..Hα-helixtrans-66.9-37.1177.2-175.466.1-178.600112K36 E80 E81 K94 L95 G96 L172K36-E84 VanDerWaalsContact CE-OE2 3.29Å; K36-E84 WeakPolarHBondContact CE-OE2 3.29Å; K36-E84 IonicContact NZ-OE2 3.42Å; K36-E84 PolarHBondContact NZ-OE2 3.3Å; E80-E84 PolarHBondContact O-N 3.1Å; E81-E84 PolarHBondContact O-N 2.67Å; E84-K94 WeakPolarHBondContact OE1-CG 3.19Å; E84-L95 PolarHBondContact OE1-N 3.24Å; E84-L95 PolarHBondContact OE2-N 2.66Å; E84-G96 PolarHBondContact OE1-N 3.22Å; E84-L172 HydrophobicContact CB-CD1 4.26Å; E84-L172 HydrophobicContact CG-CD1 4.11Å
85E97.1Very high96.4Very high136 Ų13668.3 Ų68.364%0.63635%0.351SS*.Hα-helixtrans-71.7-47.9176.3-170.8-162.8131.200112.3E81 F82E81-E85 WeakPolarHBondContact O-CB 3.28Å; E81-E85 PolarHBondContact O-N 2.91Å; F82-E85 PolarHBondContact O-N 2.73Å
86K96.2Very high96.6Very high104 Ų10465.8 Ų65.845%0.45234%0.344SS..Hα-helixtrans-78-37.3-174.6-67.5-56.3-179.6-158.30113.3F82 A88F82-K86 HydrophobicContact CD2-CG 3.92Å; F82-K86 HydrophobicContact CE1-CG 4.23Å; F82-K86 HydrophobicContact CE2-CD 4.34Å; F82-K86 HydrophobicContact CE2-CG 3.56Å; F82-K86 HydrophobicContact CG-CG 4.4Å; F82-K86 HydrophobicContact CZ-CG 3.74Å; F82-K86 WeakPolarHBondContact O-CB 3.24Å; F82-K86 WeakPolarHBondContact O-CG 3.29Å; F82-K86 PolarHBondContact O-N 2.75Å; K86-A88 PolarHBondContact O-N 2.89Å
87L95.7Very high96.7Very high1 Ų166 Ų661%0.00535%0.346CS..SBendtrans-98.668.8179.6-51.2-179.1000109I7 L33 K36 I38 L83 Y92I7-L87 HydrophobicContact CD1-CD1 4.37Å; L33-L87 HydrophobicContact CD2-CD1 4.39Å; K36-L87 HydrophobicContact CB-CD1 4.08Å; K36-L87 HydrophobicContact CD-CB 3.83Å; K36-L87 WeakPolarHBondContact CE-O 3.45Å; K36-L87 HydrophobicContact CG-CB 4.23Å; K36-L87 HydrophobicContact CG-CD1 4.02Å; K36-L87 PolarHBondContact NZ-O 3.31Å; I38-L87 HydrophobicContact CB-CD1 4.46Å; I38-L87 HydrophobicContact CD1-CD1 4.03Å; I38-L87 HydrophobicContact CD1-CD2 3.52Å; I38-L87 HydrophobicContact CD1-CG 4.43Å; I38-L87 HydrophobicContact CG2-CD1 3.9Å; L83-L87 HydrophobicContact CD2-CD1 3.91Å; L83-L87 WeakPolarHBondContact O-CA 3.49Å; L83-L87 WeakPolarHBondContact O-CB 3.15Å; L83-L87 PolarHBondContact O-N 2.64Å; L87-Y92 HydrophobicContact CB-CD2 3.87Å; L87-Y92 HydrophobicContact CB-CG 3.91Å; L87-Y92 HydrophobicContact CD2-CD2 4.01Å; L87-Y92 HydrophobicContact CD2-CE2 3.78Å; L87-Y92 WeakPolarHBondContact O-CB 3.49Å
88A93.4Very high96.7Very high36 Ų3670.7 Ų70.730%0.29836%0.357SS..  trans-109166.6-175.200000113K86 N91 Y92K86-A88 PolarHBondContact O-N 2.89Å; A88-N91 PolarHBondContact O-N 3.23Å; A88-Y92 CarbonylContact C-O 3.53Å; A88-Y92 VanDerWaalsContact C-O 3.29Å; A88-Y92 PolarHBondContact O-N 2.99Å
89P94.3Very high96.7Very high82 Ų8266 Ų6653%0.53234%0.336SS..THydrogen-bonded Turntrans-56.9149.7172-26.435.4000112.5Y92 K94P89-Y92 VanDerWaalsContact CA-O 3.31Å; P89-Y92 WeakPolarHBondContact CA-O 3.4Å; P89-Y92 WeakPolarHBondContact CD-O 3.41Å; P89-Y92 WeakPolarHBondContact CG-O 3.3Å; P89-K94 HydrophobicContact CG-CB 4.1Å
90P94.4Very high96.6Very high127 Ų12775 Ų7583%0.82538%0.375SS*.THydrogen-bonded Turncis-84.2-9.47.833.3-36.6000115
91N93.6Very high96.5Very high132 Ų13279.6 Ų79.671%0.70640%0.397SS*.THydrogen-bonded Turntrans-81.7-26.3-170.4-63.1-32.6000113.4A88A88-N91 PolarHBondContact O-N 3.23Å
92Y96.6Very high96.5Very high55 Ų5573.5 Ų73.522%0.21637%0.368CS..SBendtrans-137.7151-176.3-56.9-73.4000110.9K36 I38 L87 A88 P89K36-Y92 WeakPolarHBondContact O-CD1 3.22Å; I38-Y92 HydrophobicContact CB-CE1 4.03Å; I38-Y92 HydrophobicContact CD1-CE1 3.85Å; I38-Y92 WeakPolarHBondContact CD1-OH 3.37Å; I38-Y92 HydrophobicContact CG1-CE1 4.14Å; L87-Y92 HydrophobicContact CB-CD2 3.87Å; L87-Y92 HydrophobicContact CB-CG 3.91Å; L87-Y92 HydrophobicContact CD2-CD2 4.01Å; L87-Y92 HydrophobicContact CD2-CE2 3.78Å; L87-Y92 WeakPolarHBondContact O-CB 3.49Å; A88-Y92 CarbonylContact C-O 3.53Å; A88-Y92 VanDerWaalsContact C-O 3.29Å; A88-Y92 PolarHBondContact O-N 2.99Å; P89-Y92 VanDerWaalsContact CA-O 3.31Å; P89-Y92 WeakPolarHBondContact CA-O 3.4Å; P89-Y92 WeakPolarHBondContact CD-O 3.41Å; P89-Y92 WeakPolarHBondContact CG-O 3.3Å
93P97.2Very high96.4Very high59 Ų5975.5 Ų75.538%0.38338%0.381SS..  trans-68.6146.3179.728.1-33.8000111.4L35 K36 L95L35-P93 VanDerWaalsContact O-CG 3.24Å; L35-P93 WeakPolarHBondContact O-CG 3.34Å; K36-P93 PolarHBondContact NZ-O 3.15Å; P93-L95 HydrophobicContact CB-CD2 4.47Å; P93-L95 HydrophobicContact CG-CD2 4.44Å
94K97.3Very high96.2Very high157 Ų15778.8 Ų78.868%0.68340%0.401SS*.  trans-80.8129.1168.3-170.6179.4-179.6175.50109E84 P89E84-K94 WeakPolarHBondContact OE1-CG 3.19Å; P89-K94 HydrophobicContact CG-CB 4.1Å
95L98.2Very high96.1Very high10 Ų1078.5 Ų78.55%0.05240%0.401CS..  trans-110.4-10.2-177.4-58.5-178.7000112.9I32 L35 K36 E84 P93 T171 L172I32-L95 HydrophobicContact CG2-CD1 4.28Å; L35-L95 HydrophobicContact CB-CD1 3.72Å; L35-L95 HydrophobicContact CB-CD2 4.06Å; L35-L95 HydrophobicContact CD1-CD1 4.46Å; K36-L95 HydrophobicContact CD-CD1 4.07Å; K36-L95 HydrophobicContact CD-CG 4.35Å; K36-L95 HydrophobicContact CG-CD1 4.12Å; E84-L95 PolarHBondContact OE1-N 3.24Å; E84-L95 PolarHBondContact OE2-N 2.66Å; P93-L95 HydrophobicContact CB-CD2 4.47Å; P93-L95 HydrophobicContact CG-CD2 4.44Å; L95-T171 CarbonylContact O-C 3.38Å; L95-T171 WeakPolarHBondContact O-CA 3.3Å; L95-T171 VanDerWaalsContact O-CB 3.22Å; L95-T171 WeakPolarHBondContact O-CB 3.39Å; L95-L172 HydrophobicContact CB-CD2 3.79Å; L95-L172 HydrophobicContact CB-CG 3.89Å; L95-L172 HydrophobicContact CD1-CD2 4.31Å; L95-L172 PolarHBondContact O-N 3.49Å
96G97.2Very high96Very high27 Ų2772.5 Ų72.528%0.27838%0.376SS..SBendtrans-61139.3176.700000112.7E84E84-G96 PolarHBondContact OE1-N 3.22Å
97C97.4Very high95.9Very high23 Ų2374.1 Ų74.116%0.15539%0.386CS..  trans-64146178.5-57.90000112.3N103 D166 T171 A173C97-N103 PolarHBondContact SG-OD1 3.36Å; C97-D166 WeakPolarHBondContact CA-OD2 3.36Å; C97-D166 HydrophobicContact CB-CB 4.3Å; C97-T171 PolarHBondContact SG-OG1 3.05Å; C97-A173 WeakPolarHBondContact SG-CB 3.38Å
98R96.8Very high95.9Very high178 Ų17876 Ų7667%0.67240%0.396SS*.SBendtrans-71.2-41.1168179.1179.6-79.6-175.4-4.4111.2D166R98-D166 VanDerWaalsContact CB-OD2 3.3Å; R98-D166 WeakPolarHBondContact CB-OD2 3.22Å; R98-D166 PolarHBondContact N-OD2 2.9Å
99Y97.7Very high96.1Very high40 Ų4074.3 Ų74.316%0.15738%0.382CS..SBendtrans-103.3132.8-176.3-53.1-73000111.5E101 S102 L147 P148 H149 D166Y99-E101 PolarHBondContact O-N 3.23Å; Y99-S102 WeakPolarHBondContact O-CB 3.05Å; Y99-S102 PolarHBondContact O-N 2.74Å; Y99-L147 HydrophobicContact CD2-CB 4.41Å; Y99-L147 HydrophobicContact CD2-CD1 3.77Å; Y99-L147 HydrophobicContact CD2-CD2 4.15Å; Y99-L147 HydrophobicContact CD2-CG 4.34Å; Y99-L147 HydrophobicContact CE2-CB 3.92Å; Y99-L147 HydrophobicContact CE2-CD1 3.82Å; Y99-L147 HydrophobicContact CE2-CG 4.3Å; Y99-L147 HydrophobicContact CG-CD2 4.5Å; Y99-P148 HydrophobicContact CD1-CG 4.21Å; Y99-P148 HydrophobicContact CE1-CB 3.88Å; Y99-P148 HydrophobicContact CE1-CG 3.58Å; Y99-H149 AromaticContact CE2-ND1 3.5Å; Y99-H149 AromaticContact CZ-ND1 3.72Å; Y99-H149 VanDerWaalsContact OH-CB 3.28Å; Y99-H149 WeakPolarHBondContact OH-CB 3.3Å; Y99-H149 PolarHBondContact OH-N 3.33Å; Y99-H149 PolarHBondContact OH-ND1 3.04Å; Y99-D166 VanDerWaalsContact CD2-OD1 3.24Å; Y99-D166 WeakPolarHBondContact CD2-OD1 3.21Å; Y99-D166 PolarHBondContact N-OD1 2.98Å
100K95.6Very high96.3Very high190 Ų19072.3 Ų72.383%0.82636%0.364SS*.Hα-helixtrans-60.8-34.2179.2-70.9-176.2178.6179.30112.5S102 N103K100-S102 VanDerWaalsContact C-N 3.33Å; K100-S102 PolarHBondContact O-N 3.02Å; K100-N103 PolarHBondContact O-N 3.01Å
101E96.8Very high96.5Very high119 Ų11974.2 Ų74.256%0.55636%0.355SS*.Hα-helixtrans-65.5-34.4179.8-167.4174-175.700112.6Y99 N103 T104 T105 Y142Y99-E101 PolarHBondContact O-N 3.23Å; E101-N103 PolarHBondContact O-N 3.3Å; E101-T104 PolarHBondContact O-N 3.13Å; E101-T104 PolarHBondContact O-OG1 2.73Å; E101-T105 WeakPolarHBondContact O-CB 3.47Å; E101-T105 PolarHBondContact O-N 3.27Å; E101-Y142 HydrophobicContact CB-CE2 3.98Å; E101-Y142 HydrophobicContact CG-CD2 3.94Å; E101-Y142 HydrophobicContact CG-CE2 3.55Å
102S97.7Very high96.7Very high1 Ų170.6 Ų70.61%0.00733%0.333CS..Hα-helixtrans-56.5-34.4174-58.40000112.5Y99 K100 Y142 L165 D166 A173Y99-S102 WeakPolarHBondContact O-CB 3.05Å; Y99-S102 PolarHBondContact O-N 2.74Å; K100-S102 VanDerWaalsContact C-N 3.33Å; K100-S102 PolarHBondContact O-N 3.02Å; S102-Y142 WeakPolarHBondContact CA-OH 3.28Å; S102-Y142 PolarHBondContact N-OH 2.91Å; S102-Y142 PolarHBondContact OG-OH 3.27Å; S102-L165 PolarHBondContact OG-O 3.41Å; S102-D166 VanDerWaalsContact CB-OD1 3.22Å; S102-D166 WeakPolarHBondContact CB-OD1 3.42Å; S102-D166 PolarHBondContact OG-OD1 3.18Å; S102-A173 WeakPolarHBondContact O-CB 3.43Å
103N94.7Very high96.7Very high77 Ų7768 Ų6841%0.41232%0.323SS..Hα-helixtrans-74.8-24.7179.8-67.7-57.2000113.5C97 K100 E101C97-N103 PolarHBondContact SG-OD1 3.36Å; K100-N103 PolarHBondContact O-N 3.01Å; E101-N103 PolarHBondContact O-N 3.3Å
104T94.9Very high96.7Very high69 Ų6966.4 Ų66.442%0.42331%0.314SS..Hα-helixtrans-109.4-18.8-172.160.60000113.1E101 G106 Q107E101-T104 PolarHBondContact O-N 3.13Å; E101-T104 PolarHBondContact O-OG1 2.73Å; T104-G106 PolarHBondContact O-N 3.02Å; T104-Q107 VanDerWaalsContact O-CB 3.28Å; T104-Q107 WeakPolarHBondContact O-CB 3.41Å; T104-Q107 WeakPolarHBondContact O-CG 3.31Å; T104-Q107 PolarHBondContact O-N 3.47Å
105T95.4Very high96.7Very high25 Ų2561.2 Ų61.215%0.15330%0.3CS..THydrogen-bonded Turntrans-60.2137.5175.5-163.20000110.9E101 Q107 L139 Y142 L165E101-T105 WeakPolarHBondContact O-CB 3.47Å; E101-T105 PolarHBondContact O-N 3.27Å; T105-Q107 PolarHBondContact O-N 3.28Å; T105-L139 HydrophobicContact CG2-CD1 4.16Å; T105-Y142 HydrophobicContact CG2-CD1 3.72Å; T105-Y142 HydrophobicContact CG2-CE1 3.79Å; T105-Y142 HydrophobicContact CG2-CG 4.35Å; T105-L165 HydrophobicContact CG2-CD2 3.7Å
106G95.4Very high96.6Very high11 Ų1160.9 Ų60.911%0.11330%0.298CS..THydrogen-bonded Turntrans69.94.6-178.600000116.5T104 D108 I109T104-G106 PolarHBondContact O-N 3.02Å; G106-D108 PolarHBondContact O-N 3.47Å; G106-D108 VanDerWaalsContact O-N 3.15Å; G106-I109 WeakPolarHBondContact O-CB 3.28Å; G106-I109 WeakPolarHBondContact O-CG1 3.41Å; G106-I109 PolarHBondContact O-N 3.25Å; G106-I109 VanDerWaalsContact O-N 3.15Å
107Q94.4Very high96.5Very high138 Ų13859.6 Ų59.665%0.64528%0.284SS*.THydrogen-bonded Turntrans-58.4-30.4-17767.9-178.2-17.200114.3T104 T105T104-Q107 VanDerWaalsContact O-CB 3.28Å; T104-Q107 WeakPolarHBondContact O-CB 3.41Å; T104-Q107 WeakPolarHBondContact O-CG 3.31Å; T104-Q107 PolarHBondContact O-N 3.47Å; T105-Q107 PolarHBondContact O-N 3.28Å
108D95.4Very high96.4Very high40 Ų4063.6 Ų63.621%0.21430%0.299CS..THydrogen-bonded Turntrans-95.2-7.2-177.471-31.1000113.9G106 F110 R111 K112G106-D108 PolarHBondContact O-N 3.47Å; G106-D108 VanDerWaalsContact O-N 3.15Å; D108-F110 PolarHBondContact O-N 2.9Å; D108-R111 PolarHBondContact O-N 3.27Å; D108-K112 WeakPolarHBondContact O-CG 3.41Å; D108-K112 PolarHBondContact O-N 2.89Å
109I98.1Very high96.2Very high1 Ų155.6 Ų55.61%0.00527%0.27CS..Hα-helixtrans-53.8-53.3-178.9-70171.3000110.3G106 R111 K112 F113 F132 T135 L136 L139 L177 L181 I184G106-I109 WeakPolarHBondContact O-CB 3.28Å; G106-I109 WeakPolarHBondContact O-CG1 3.41Å; G106-I109 PolarHBondContact O-N 3.25Å; G106-I109 VanDerWaalsContact O-N 3.15Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 2.71Å; I109-K112 PolarHBondContact O-N 3.32Å; I109-F113 WeakPolarHBondContact O-CB 3.5Å; I109-F113 PolarHBondContact O-N 3.21Å; I109-F132 HydrophobicContact CG2-CE2 4.18Å; I109-T135 WeakPolarHBondContact CG1-OG1 3.28Å; I109-L136 HydrophobicContact CD1-CD2 4.39Å; I109-L136 HydrophobicContact CG2-CD2 4.03Å; I109-L139 HydrophobicContact CD1-CB 3.98Å; I109-L139 HydrophobicContact CD1-CD2 3.56Å; I109-L139 HydrophobicContact CD1-CG 4.33Å; I109-L177 HydrophobicContact CD1-CD1 4.24Å; I109-L181 HydrophobicContact CD1-CD2 4.46Å; I109-L181 HydrophobicContact CG2-CD2 4.29Å; I109-I184 HydrophobicContact CG2-CD1 3.41Å; I109-I184 VanDerWaalsContact CG2-CD1 3.41Å
110F97.6Very high95.8Very high39 Ų3958.7 Ų58.717%0.17130%0.295CS..Hα-helixtrans-67.9-30.8-173.9-161.8-106.4000112.8P24 D108 F113 S114 K180 I183 I184 Y230P24-F110 HydrophobicContact CG-CZ 4.4Å; D108-F110 PolarHBondContact O-N 2.9Å; F110-F113 AromaticContact CD2-CD1 3.85Å; F110-F113 HydrophobicContact CD2-CD1 3.85Å; F110-F113 HydrophobicContact CD2-CE1 4.34Å; F110-F113 AromaticContact CE2-CD1 3.88Å; F110-F113 HydrophobicContact CE2-CD1 3.88Å; F110-F113 AromaticContact CE2-CE1 3.89Å; F110-F113 HydrophobicContact CE2-CE1 3.89Å; F110-F113 HydrophobicContact CZ-CE1 4.41Å; F110-S114 VanDerWaalsContact O-CB 3.29Å; F110-S114 WeakPolarHBondContact O-CB 3.14Å; F110-S114 PolarHBondContact O-N 3.11Å; F110-S114 PolarHBondContact O-OG 3.43Å; F110-K180 HydrophobicContact CB-CB 4.25Å; F110-K180 HydrophobicContact CB-CD 3.91Å; F110-K180 HydrophobicContact CB-CG 4.22Å; F110-K180 HydrophobicContact CD2-CB 3.57Å; F110-K180 HydrophobicContact CD2-CD 4.45Å; F110-K180 HydrophobicContact CD2-CG 3.82Å; F110-K180 HydrophobicContact CE2-CB 4.14Å; F110-K180 HydrophobicContact CE2-CG 4.27Å; F110-K180 HydrophobicContact CG-CB 4.1Å; F110-K180 HydrophobicContact CG-CD 4.14Å; F110-K180 HydrophobicContact CG-CG 3.97Å; F110-I183 HydrophobicContact CE2-CB 4.24Å; F110-I183 HydrophobicContact CE2-CD1 4.27Å; F110-I183 HydrophobicContact CE2-CG2 4.04Å; F110-I183 HydrophobicContact CZ-CD1 4.31Å; F110-I183 HydrophobicContact CZ-CG2 4.46Å; F110-I184 HydrophobicContact CD2-CD1 4.23Å; F110-I184 HydrophobicContact CD2-CG1 4.36Å; F110-Y230 WeakPolarHBondContact CZ-OH 3.48Å
111R97.9Very high95.5Very high168 Ų16853.4 Ų53.463%0.63428%0.276SS*.Hα-helixtrans-67.1-45.7173.3-178.8-177.963.4176.8-2.2110.9D108 I109 S114 A115D108-R111 PolarHBondContact O-N 3.27Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 2.71Å; R111-S114 PolarHBondContact O-N 3.32Å; R111-A115 PolarHBondContact O-N 3.04Å
112K98.2Very high95.2Very high55 Ų5551.2 Ų51.224%0.23927%0.271CS..Hα-helixtrans-68-42178.3-68.2-58.9-166.9174.40112.1D108 I109 S114 A115 Y116 Q131 F132 T135D108-K112 WeakPolarHBondContact O-CG 3.41Å; D108-K112 PolarHBondContact O-N 2.89Å; I109-K112 PolarHBondContact O-N 3.32Å; K112-S114 VanDerWaalsContact C-N 3.34Å; K112-S114 PolarHBondContact O-N 3.01Å; K112-A115 PolarHBondContact O-N 3.21Å; K112-Y116 PolarHBondContact O-N 3.15Å; K112-Q131 HydrophobicContact CD-CB 4.41Å; K112-F132 HydrophobicContact CB-CB 4.38Å; K112-T135 HydrophobicContact CB-CG2 4.15Å; K112-T135 HydrophobicContact CG-CG2 3.76Å
113F97.8Very high94.9Very high0 Ų054.5 Ų54.50%031%0.305CS..Hα-helixtrans-54.5-49.6168.7161-111.6000111.4I109 F110 A115 Y116 I117 F132 I183 I184 V187 C188 Y230I109-F113 WeakPolarHBondContact O-CB 3.5Å; I109-F113 PolarHBondContact O-N 3.21Å; F110-F113 AromaticContact CD2-CD1 3.85Å; F110-F113 HydrophobicContact CD2-CD1 3.85Å; F110-F113 HydrophobicContact CD2-CE1 4.34Å; F110-F113 AromaticContact CE2-CD1 3.88Å; F110-F113 HydrophobicContact CE2-CD1 3.88Å; F110-F113 AromaticContact CE2-CE1 3.89Å; F110-F113 HydrophobicContact CE2-CE1 3.89Å; F110-F113 HydrophobicContact CZ-CE1 4.41Å; F113-A115 VanDerWaalsContact C-N 3.29Å; F113-A115 PolarHBondContact O-N 3.14Å; F113-Y116 PolarHBondContact O-N 3.22Å; F113-Y116 VanDerWaalsContact O-N 3.1Å; F113-I117 HydrophobicContact CD2-CB 4.21Å; F113-I117 HydrophobicContact CD2-CG2 4.34Å; F113-I117 HydrophobicContact CE1-CG2 4.24Å; F113-I117 HydrophobicContact CE2-CB 3.8Å; F113-I117 HydrophobicContact CE2-CG1 4.06Å; F113-I117 HydrophobicContact CE2-CG2 3.95Å; F113-I117 HydrophobicContact CZ-CB 4.21Å; F113-I117 HydrophobicContact CZ-CG1 4.33Å; F113-I117 HydrophobicContact CZ-CG2 3.91Å; F113-I117 WeakPolarHBondContact O-CG2 3.46Å; F113-I117 PolarHBondContact O-N 3.3Å; F113-F132 HydrophobicContact CB-CD2 3.86Å; F113-F132 HydrophobicContact CB-CE2 3.82Å; F113-I183 HydrophobicContact CE1-CG2 4.05Å; F113-I183 HydrophobicContact CZ-CG2 4.26Å; F113-I184 HydrophobicContact CB-CD1 4.04Å; F113-I184 HydrophobicContact CB-CG1 3.93Å; F113-I184 HydrophobicContact CD1-CD1 4.4Å; F113-I184 HydrophobicContact CD1-CG1 3.66Å; F113-I184 HydrophobicContact CD2-CB 4.42Å; F113-I184 HydrophobicContact CD2-CG1 3.78Å; F113-I184 HydrophobicContact CD2-CG2 4.4Å; F113-I184 HydrophobicContact CE1-CG1 4.05Å; F113-I184 HydrophobicContact CE2-CG1 4.16Å; F113-I184 HydrophobicContact CG-CD1 4.17Å; F113-I184 HydrophobicContact CG-CG1 3.51Å; F113-I184 HydrophobicContact CZ-CG1 4.28Å; F113-V187 HydrophobicContact CE2-CB 4.32Å; F113-V187 HydrophobicContact CE2-CG1 4.23Å; F113-V187 HydrophobicContact CZ-CB 3.94Å; F113-V187 HydrophobicContact CZ-CG1 3.91Å; F113-V187 HydrophobicContact CZ-CG2 4.47Å; F113-C188 VanDerWaalsContact CE2-SG 3.58Å; F113-Y230 AromaticContact CE1-CE1 3.86Å; F113-Y230 HydrophobicContact CE1-CE1 3.86Å; F113-Y230 AromaticContact CZ-CE1 3.93Å; F113-Y230 HydrophobicContact CZ-CE1 3.93Å
114S97.1Very high94.8Very high27 Ų2754.2 Ų54.219%0.18930%0.304CS..Hα-helixtrans-59.6-39.9-179.7-67.20000112.4F110 R111 K112 K118F110-S114 VanDerWaalsContact O-CB 3.29Å; F110-S114 WeakPolarHBondContact O-CB 3.14Å; F110-S114 PolarHBondContact O-N 3.11Å; F110-S114 PolarHBondContact O-OG 3.43Å; R111-S114 PolarHBondContact O-N 3.32Å; K112-S114 VanDerWaalsContact C-N 3.34Å; K112-S114 PolarHBondContact O-N 3.01Å; S114-K118 VanDerWaalsContact O-CB 3.31Å; S114-K118 WeakPolarHBondContact O-CB 3.48Å; S114-K118 VanDerWaalsContact O-CG 3.25Å; S114-K118 WeakPolarHBondContact O-CG 3.22Å; S114-K118 PolarHBondContact O-N 3.41Å
115A96.6Very high94.7Very high47 Ų4752.3 Ų52.339%0.38829%0.291SS..Hα-helixtrans-66-42.2175.100000112R111 K112 F113 N119 L128R111-A115 PolarHBondContact O-N 3.04Å; K112-A115 PolarHBondContact O-N 3.21Å; F113-A115 VanDerWaalsContact C-N 3.29Å; F113-A115 PolarHBondContact O-N 3.14Å; A115-N119 WeakPolarHBondContact O-CB 3.25Å; A115-N119 PolarHBondContact O-N 3.09Å; A115-L128 HydrophobicContact CB-CD2 4.3Å
116Y96Very high94.6Very high3 Ų357.9 Ų57.91%0.01232%0.318CS..Hα-helixtrans-66-52.2178.2170.7-120.3000112.7K112 F113 K118 N119 N125 L128 E129 F132 R192K112-Y116 PolarHBondContact O-N 3.15Å; F113-Y116 PolarHBondContact O-N 3.22Å; F113-Y116 VanDerWaalsContact O-N 3.1Å; Y116-K118 PolarHBondContact O-N 3.35Å; Y116-N119 VanDerWaalsContact O-CB 3.29Å; Y116-N119 WeakPolarHBondContact O-CB 3.35Å; Y116-N119 PolarHBondContact O-N 2.93Å; Y116-N125 WeakPolarHBondContact CE2-OD1 3.46Å; Y116-L128 HydrophobicContact CD2-CB 4.09Å; Y116-E129 HydrophobicContact CD2-CB 3.94Å; Y116-E129 HydrophobicContact CE2-CB 3.47Å; Y116-E129 VanDerWaalsContact CE2-CB 3.47Å; Y116-E129 HydrophobicContact CE2-CG 3.8Å; Y116-E129 PolarHBondContact OH-OE2 3.19Å; Y116-F132 HydrophobicContact CD1-CD1 4Å; Y116-F132 HydrophobicContact CE1-CD1 4.38Å; Y116-R192 HydrophobicContact CE1-CB 4.37Å; Y116-R192 HydrophobicContact CE1-CG 3.91Å
117I95.9Very high94.6Very high0 Ų061.8 Ų61.80%034%0.335CS..Hα-helixtrans-71.2-31.3-172.1-163.462000113F113 N119 V187 R192 Y230 A234F113-I117 HydrophobicContact CD2-CB 4.21Å; F113-I117 HydrophobicContact CD2-CG2 4.34Å; F113-I117 HydrophobicContact CE1-CG2 4.24Å; F113-I117 HydrophobicContact CE2-CB 3.8Å; F113-I117 HydrophobicContact CE2-CG1 4.06Å; F113-I117 HydrophobicContact CE2-CG2 3.95Å; F113-I117 HydrophobicContact CZ-CB 4.21Å; F113-I117 HydrophobicContact CZ-CG1 4.33Å; F113-I117 HydrophobicContact CZ-CG2 3.91Å; F113-I117 WeakPolarHBondContact O-CG2 3.46Å; F113-I117 PolarHBondContact O-N 3.3Å; I117-N119 VanDerWaalsContact C-N 3.34Å; I117-V187 HydrophobicContact CD1-CG1 3.84Å; I117-V187 HydrophobicContact CG1-CG1 3.6Å; I117-R192 HydrophobicContact CD1-CG 3.65Å; I117-R192 PolarHBondContact O-NH2 2.74Å; I117-Y230 HydrophobicContact CG2-CD1 4.42Å; I117-Y230 HydrophobicContact CG2-CE1 4.25Å; I117-A234 HydrophobicContact CD1-CB 4.21Å; I117-A234 HydrophobicContact CG1-CB 3.92Å
118K95Very high94.7Very high107 Ų10756.1 Ų56.147%0.46531%0.309SS..THydrogen-bonded Turntrans-89.1-0.8179.6-57.2-176.4-178.3178.40113.3S114 Y116 P120 V233S114-K118 VanDerWaalsContact O-CB 3.31Å; S114-K118 WeakPolarHBondContact O-CB 3.48Å; S114-K118 VanDerWaalsContact O-CG 3.25Å; S114-K118 WeakPolarHBondContact O-CG 3.22Å; S114-K118 PolarHBondContact O-N 3.41Å; Y116-K118 PolarHBondContact O-N 3.35Å; K118-P120 VanDerWaalsContact O-CD 3.3Å; K118-P120 WeakPolarHBondContact O-CD 3.44Å; K118-V233 HydrophobicContact CD-CB 4.32Å; K118-V233 HydrophobicContact CG-CB 4.04Å; K118-V233 HydrophobicContact CG-CG2 4.21Å
119N92Very high94.7Very high11 Ų1157.2 Ų57.26%0.05931%0.312CS..  trans-66.5122.2-178.3173.442.8000111.1A115 Y116 I117 N121 L128 L237A115-N119 WeakPolarHBondContact O-CB 3.25Å; A115-N119 PolarHBondContact O-N 3.09Å; Y116-N119 VanDerWaalsContact O-CB 3.29Å; Y116-N119 WeakPolarHBondContact O-CB 3.35Å; Y116-N119 PolarHBondContact O-N 2.93Å; I117-N119 VanDerWaalsContact C-N 3.34Å; N119-N121 PolarHBondContact ND2-O 3.28Å; N119-N121 PolarHBondContact OD1-N 3.15Å; N119-N121 PolarHBondContact OD1-O 3.16Å; N119-L128 HydrophobicContact CB-CD1 3.57Å; N119-L128 VanDerWaalsContact CG-CD1 3.49Å; N119-L237 WeakPolarHBondContact O-CD2 3.15Å
120P89.1Confident94.7Very high104 Ų10464.8 Ų64.868%0.67535%0.346SS*.  trans-91.8-9.6174.536.8-34.5000113.3K118 P122 L237K118-P120 VanDerWaalsContact O-CD 3.3Å; K118-P120 WeakPolarHBondContact O-CD 3.44Å; P120-P122 WeakPolarHBondContact O-CD 3.47Å; P120-L237 VanDerWaalsContact C-CD2 3.48Å; P120-L237 WeakPolarHBondContact O-CD2 3.18Å
121N90.1Very high94.7Very high80 Ų8066 Ų6643%0.42835%0.352SS..  trans-99.3112-172.2-177.7-14000111.6N119 G123 L124N119-N121 PolarHBondContact ND2-O 3.28Å; N119-N121 PolarHBondContact OD1-N 3.15Å; N119-N121 PolarHBondContact OD1-O 3.16Å; N121-G123 PolarHBondContact O-N 3.29Å; N121-G123 PolarHBondContact OD1-N 2.93Å; N121-L124 HydrophobicContact CB-CD1 4.21Å; N121-L124 HydrophobicContact CB-CG 4.27Å; N121-L124 PolarHBondContact O-N 3.38Å; N121-L124 VanDerWaalsContact O-N 3.13Å
122P89.4Confident94.7Very high72 Ų7258 Ų5847%0.46832%0.321SS..Hα-helixtrans-56.7-34.6179.1-2534000114.1P120 L124 N125 L237P120-P122 WeakPolarHBondContact O-CD 3.47Å; P122-L124 PolarHBondContact O-N 3.27Å; P122-N125 WeakPolarHBondContact O-CB 3.2Å; P122-N125 PolarHBondContact O-N 3.42Å; P122-N125 VanDerWaalsContact O-N 3.12Å; P122-L237 HydrophobicContact CG-CB 4.49Å; P122-L237 HydrophobicContact CG-CD2 4.13Å
123G91.8Very high94.7Very high70 Ų7058 Ų5872%0.72232%0.324SS*.Hα-helixtrans-66-21.7-17900000114.3N121N121-G123 PolarHBondContact O-N 3.29Å; N121-G123 PolarHBondContact OD1-N 2.93Å
124L93.4Very high94.7Very high72 Ų7260.4 Ų60.438%0.37734%0.341SS..Hα-helixtrans-93.5-8.8176.5-61.6179.7000113.1N121 P122 I126 M127 L128N121-L124 HydrophobicContact CB-CD1 4.21Å; N121-L124 HydrophobicContact CB-CG 4.27Å; N121-L124 PolarHBondContact O-N 3.38Å; N121-L124 VanDerWaalsContact O-N 3.13Å; P122-L124 PolarHBondContact O-N 3.27Å; L124-I126 PolarHBondContact O-N 3.41Å; L124-M127 HydrophobicContact CD2-CE 4.06Å; L124-M127 PolarHBondContact O-N 3.04Å; L124-L128 HydrophobicContact CB-CD1 4.01Å; L124-L128 HydrophobicContact CB-CG 4.41Å; L124-L128 WeakPolarHBondContact O-CG 3.43Å; L124-L128 PolarHBondContact O-N 2.85Å
125N91.6Very high94.7Very high29 Ų2959.3 Ų59.316%0.15533%0.333CS..Hα-helixtrans-61-51.1-167.4-170.170000112.5Y116 P122 M127 L128 E129 L237Y116-N125 WeakPolarHBondContact CE2-OD1 3.46Å; P122-N125 WeakPolarHBondContact O-CB 3.2Å; P122-N125 PolarHBondContact O-N 3.42Å; P122-N125 VanDerWaalsContact O-N 3.12Å; N125-M127 VanDerWaalsContact C-N 3.28Å; N125-M127 PolarHBondContact O-N 3.27Å; N125-L128 PolarHBondContact O-N 3.5Å; N125-E129 PolarHBondContact ND2-OE2 2.79Å; N125-E129 VanDerWaalsContact O-CB 3.29Å; N125-E129 WeakPolarHBondContact O-CB 3.23Å; N125-E129 PolarHBondContact O-N 2.89Å; N125-L237 HydrophobicContact CB-CD1 3.65Å; N125-L237 VanDerWaalsContact CG-CD1 3.42Å; N125-L237 WeakPolarHBondContact OD1-CD1 3.18Å
126I93.7Very high94.8Very high141 Ų14157 Ų5772%0.72331%0.314SS*.Hα-helixtrans-57.9-42.8-179.5-63.7172.5000110.9L124 K130L124-I126 PolarHBondContact O-N 3.41Å; I126-K130 VanDerWaalsContact O-CB 3.31Å; I126-K130 WeakPolarHBondContact O-CB 3.5Å; I126-K130 PolarHBondContact O-N 3.33Å
127M96.5Very high94.9Very high93 Ų9359.4 Ų59.446%0.45833%0.329SS..Hα-helixtrans-64.7-48.1179.1-178.5-165.867.400111.3L124 N125 K130 Q131L124-M127 HydrophobicContact CD2-CE 4.06Å; L124-M127 PolarHBondContact O-N 3.04Å; N125-M127 VanDerWaalsContact C-N 3.28Å; N125-M127 PolarHBondContact O-N 3.27Å; M127-K130 PolarHBondContact O-N 3.07Å; M127-Q131 WeakPolarHBondContact O-CG 3.4Å; M127-Q131 PolarHBondContact O-N 3.25Å
128L96.4Very high95Very high20 Ų2065.6 Ų65.611%0.10536%0.356CS..Hα-helixtrans-68.1-39-177.9-69172.2000112A115 Y116 N119 L124 N125 Q131 F132A115-L128 HydrophobicContact CB-CD2 4.3Å; Y116-L128 HydrophobicContact CD2-CB 4.09Å; N119-L128 HydrophobicContact CB-CD1 3.57Å; N119-L128 VanDerWaalsContact CG-CD1 3.49Å; L124-L128 HydrophobicContact CB-CD1 4.01Å; L124-L128 HydrophobicContact CB-CG 4.41Å; L124-L128 WeakPolarHBondContact O-CG 3.43Å; L124-L128 PolarHBondContact O-N 2.85Å; N125-L128 PolarHBondContact O-N 3.5Å; L128-Q131 PolarHBondContact O-N 3.09Å; L128-F132 WeakPolarHBondContact O-CB 3.37Å; L128-F132 PolarHBondContact O-N 3.16Å
129E95.6Very high95.2Very high62 Ų6260.6 Ų60.629%0.2933%0.334SS..Hα-helixtrans-60.5-48.4173.7-167170.813500111Y116 N125 Q131 F132 L133Y116-E129 HydrophobicContact CD2-CB 3.94Å; Y116-E129 HydrophobicContact CE2-CB 3.47Å; Y116-E129 VanDerWaalsContact CE2-CB 3.47Å; Y116-E129 HydrophobicContact CE2-CG 3.8Å; Y116-E129 PolarHBondContact OH-OE2 3.19Å; N125-E129 PolarHBondContact ND2-OE2 2.79Å; N125-E129 VanDerWaalsContact O-CB 3.29Å; N125-E129 WeakPolarHBondContact O-CB 3.23Å; N125-E129 PolarHBondContact O-N 2.89Å; E129-Q131 VanDerWaalsContact C-N 3.31Å; E129-Q131 PolarHBondContact O-N 2.99Å; E129-F132 PolarHBondContact O-N 3.21Å; E129-L133 WeakPolarHBondContact O-CB 3.46Å; E129-L133 PolarHBondContact O-N 2.74Å
130K96.7Very high95.5Very high161 Ų16160.2 Ų60.270%0.733%0.332SS*.Hα-helixtrans-60.2-41176.1-174177.4-178.6177.80111.9I126 M127 S134I126-K130 VanDerWaalsContact O-CB 3.31Å; I126-K130 WeakPolarHBondContact O-CB 3.5Å; I126-K130 PolarHBondContact O-N 3.33Å; M127-K130 PolarHBondContact O-N 3.07Å; K130-S134 WeakPolarHBondContact O-CB 3.33Å; K130-S134 PolarHBondContact O-N 3.33Å
131Q97.8Very high96Very high64 Ų6460.9 Ų60.930%0.29933%0.328SS..Hα-helixtrans-63.6-44.3175.8-73.7-177.215.100111.7K112 M127 L128 E129 S134K112-Q131 HydrophobicContact CD-CB 4.41Å; M127-Q131 WeakPolarHBondContact O-CG 3.4Å; M127-Q131 PolarHBondContact O-N 3.25Å; L128-Q131 PolarHBondContact O-N 3.09Å; E129-Q131 VanDerWaalsContact C-N 3.31Å; E129-Q131 PolarHBondContact O-N 2.99Å; Q131-S134 PolarHBondContact O-N 3.22Å; Q131-S134 PolarHBondContact O-OG 3.12Å
132F97.9Very high96.4Very high0 Ų057.7 Ų57.70%031%0.31CS..Hα-helixtrans-63.4-50.1175.6164.9-118.3000111.6I109 K112 F113 Y116 L128 E129 S134 T135 L136 I184 F194I109-F132 HydrophobicContact CG2-CE2 4.18Å; K112-F132 HydrophobicContact CB-CB 4.38Å; F113-F132 HydrophobicContact CB-CD2 3.86Å; F113-F132 HydrophobicContact CB-CE2 3.82Å; Y116-F132 HydrophobicContact CD1-CD1 4Å; Y116-F132 HydrophobicContact CE1-CD1 4.38Å; L128-F132 WeakPolarHBondContact O-CB 3.37Å; L128-F132 PolarHBondContact O-N 3.16Å; E129-F132 PolarHBondContact O-N 3.21Å; F132-S134 PolarHBondContact O-N 2.9Å; F132-T135 WeakPolarHBondContact O-CB 3.46Å; F132-T135 PolarHBondContact O-N 3.38Å; F132-T135 PolarHBondContact O-OG1 2.99Å; F132-L136 HydrophobicContact CE1-CD1 4.02Å; F132-L136 HydrophobicContact CE2-CD1 4.17Å; F132-L136 HydrophobicContact CE2-CD2 4.08Å; F132-L136 HydrophobicContact CE2-CG 4.04Å; F132-L136 HydrophobicContact CZ-CD1 3.63Å; F132-L136 HydrophobicContact CZ-CD2 4.24Å; F132-L136 HydrophobicContact CZ-CG 4.03Å; F132-L136 PolarHBondContact O-N 3.15Å; F132-I184 HydrophobicContact CE1-CG2 4.48Å; F132-I184 HydrophobicContact CE2-CD1 4.3Å; F132-I184 HydrophobicContact CE2-CG2 3.99Å; F132-I184 HydrophobicContact CZ-CG2 3.45Å; F132-I184 VanDerWaalsContact CZ-CG2 3.45Å; F132-F194 HydrophobicContact CE1-CD1 4.33Å; F132-F194 AromaticContact CE1-CE1 3.79Å; F132-F194 HydrophobicContact CE1-CE1 3.79Å; F132-F194 HydrophobicContact CE1-CZ 4.04Å; F132-F194 HydrophobicContact CZ-CE1 4.45Å
133L97.5Very high96.8Very high56 Ų5654.4 Ų54.429%0.29329%0.288SS..Hα-helixtrans-57.4-38.6177.6-177.561.7000111.9E129 T135 L136 V137 F194 P197E129-L133 WeakPolarHBondContact O-CB 3.46Å; E129-L133 PolarHBondContact O-N 2.74Å; L133-T135 PolarHBondContact O-N 2.69Å; L133-L136 PolarHBondContact O-N 3.17Å; L133-V137 HydrophobicContact CG-CG2 4.41Å; L133-V137 WeakPolarHBondContact O-CG2 3.3Å; L133-V137 PolarHBondContact O-N 3.2Å; L133-F194 HydrophobicContact CD1-CZ 4.22Å; L133-P197 HydrophobicContact CD1-CG 4.06Å
134S97.9Very high97.1Very high50 Ų5052.9 Ų52.935%0.3526%0.264SS..Hα-helixtrans-59.3-30176.5800000113.2K130 Q131 F132 K138K130-S134 WeakPolarHBondContact O-CB 3.33Å; K130-S134 PolarHBondContact O-N 3.33Å; Q131-S134 PolarHBondContact O-N 3.22Å; Q131-S134 PolarHBondContact O-OG 3.12Å; F132-S134 PolarHBondContact O-N 2.9Å; S134-K138 VanDerWaalsContact O-CG 3.29Å; S134-K138 WeakPolarHBondContact O-CG 3.39Å; S134-K138 PolarHBondContact O-N 2.8Å; S134-K138 VanDerWaalsContact O-N 3.11Å
135T98.4Very high97.3Very high3 Ų353.5 Ų53.52%0.01827%0.27CS..Hα-helixtrans-74.5-35.9175.966.30000112.1I109 K112 F132 L133 K138 L139I109-T135 WeakPolarHBondContact CG1-OG1 3.28Å; K112-T135 HydrophobicContact CB-CG2 4.15Å; K112-T135 HydrophobicContact CG-CG2 3.76Å; F132-T135 WeakPolarHBondContact O-CB 3.46Å; F132-T135 PolarHBondContact O-N 3.38Å; F132-T135 PolarHBondContact O-OG1 2.99Å; L133-T135 PolarHBondContact O-N 2.69Å; T135-K138 PolarHBondContact O-N 3.29Å; T135-L139 PolarHBondContact O-N 3.15Å; T135-L139 VanDerWaalsContact O-N 3.1Å
136L98.4Very high97.6Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-67.9-40.2173.5-60.5-176.8000111.7I109 F132 L133 L139 S140 L181 F194 I196 L200 L203I109-L136 HydrophobicContact CD1-CD2 4.39Å; I109-L136 HydrophobicContact CG2-CD2 4.03Å; F132-L136 HydrophobicContact CE1-CD1 4.02Å; F132-L136 HydrophobicContact CE2-CD1 4.17Å; F132-L136 HydrophobicContact CE2-CD2 4.08Å; F132-L136 HydrophobicContact CE2-CG 4.04Å; F132-L136 HydrophobicContact CZ-CD1 3.63Å; F132-L136 HydrophobicContact CZ-CD2 4.24Å; F132-L136 HydrophobicContact CZ-CG 4.03Å; F132-L136 PolarHBondContact O-N 3.15Å; L133-L136 PolarHBondContact O-N 3.17Å; L136-L139 PolarHBondContact O-N 3.26Å; L136-S140 PolarHBondContact O-N 2.88Å; L136-L181 HydrophobicContact CD2-CD2 4.31Å; L136-F194 HydrophobicContact CD1-CE1 4.29Å; L136-F194 HydrophobicContact CD1-CZ 4.25Å; L136-I196 HydrophobicContact CD1-CG1 4.44Å; L136-L200 HydrophobicContact CB-CD1 3.91Å; L136-L203 HydrophobicContact CB-CD2 4.07Å; L136-L203 HydrophobicContact CD2-CD2 4.1Å; L136-L203 HydrophobicContact CG-CD2 4.5Å
137V98.3Very high97.8Very high53 Ų5346.8 Ų46.832%0.32124%0.237SC..Hα-helixtrans-59.9-48.7174.9171.90000110.4L133 L139 S140 M141 L200L133-V137 HydrophobicContact CG-CG2 4.41Å; L133-V137 WeakPolarHBondContact O-CG2 3.3Å; L133-V137 PolarHBondContact O-N 3.2Å; V137-L139 VanDerWaalsContact C-N 3.32Å; V137-L139 PolarHBondContact O-N 3.47Å; V137-S140 PolarHBondContact O-N 3.31Å; V137-M141 HydrophobicContact CG1-CG 4.34Å; V137-M141 HydrophobicContact CG1-SD 3.98Å; V137-M141 VanDerWaalsContact O-CG 3.31Å; V137-M141 WeakPolarHBondContact O-CG 3.4Å; V137-M141 PolarHBondContact O-N 3.24Å; V137-L200 HydrophobicContact CG2-CD2 3.96Å
138K98.3Very high97.9Very high130 Ų13045.3 Ų45.357%0.56524%0.235SC*.Hα-helixtrans-58.2-42.5177-74.4173.6-176.5-177.70112.5S134 T135 M141 Y142S134-K138 VanDerWaalsContact O-CG 3.29Å; S134-K138 WeakPolarHBondContact O-CG 3.39Å; S134-K138 PolarHBondContact O-N 2.8Å; S134-K138 VanDerWaalsContact O-N 3.11Å; T135-K138 PolarHBondContact O-N 3.29Å; K138-M141 PolarHBondContact O-N 2.56Å; K138-Y142 PolarHBondContact O-N 3Å
139L98.6Very high97.8Very high1 Ų145.8 Ų45.81%0.00524%0.236CC..Hα-helixtrans-63.7-44.5175.817562.7000111.9T105 I109 T135 L136 V137 M141 Y142 L143 L165 L177 L181 L203T105-L139 HydrophobicContact CG2-CD1 4.16Å; I109-L139 HydrophobicContact CD1-CB 3.98Å; I109-L139 HydrophobicContact CD1-CD2 3.56Å; I109-L139 HydrophobicContact CD1-CG 4.33Å; T135-L139 PolarHBondContact O-N 3.15Å; T135-L139 VanDerWaalsContact O-N 3.1Å; L136-L139 PolarHBondContact O-N 3.26Å; V137-L139 VanDerWaalsContact C-N 3.32Å; V137-L139 PolarHBondContact O-N 3.47Å; L139-M141 PolarHBondContact O-N 2.68Å; L139-Y142 WeakPolarHBondContact O-CB 3.35Å; L139-Y142 PolarHBondContact O-N 3.14Å; L139-L143 HydrophobicContact CD1-CD1 4.06Å; L139-L143 HydrophobicContact CD1-CG 4.32Å; L139-L143 HydrophobicContact CG-CD1 3.93Å; L139-L143 WeakPolarHBondContact O-CG 3.42Å; L139-L143 PolarHBondContact O-N 3.49Å; L139-L165 HydrophobicContact CD1-CD2 3.86Å; L139-L177 HydrophobicContact CD1-CD2 3.9Å; L139-L177 HydrophobicContact CD2-CD2 3.88Å; L139-L181 HydrophobicContact CD2-CD1 4.09Å; L139-L181 HydrophobicContact CD2-CD2 4.36Å; L139-L203 HydrophobicContact CD2-CD1 3.75Å; L139-L203 HydrophobicContact CG-CD1 4.41Å
140S98.4Very high97.9Very high4 Ų443.6 Ų43.63%0.02823%0.226CC..Hα-helixtrans-62.2-43.8176.3-164.10000111.4L136 V137 Y142 L143 D144 L200 G202 L203L136-S140 PolarHBondContact O-N 2.88Å; V137-S140 PolarHBondContact O-N 3.31Å; S140-Y142 VanDerWaalsContact C-N 3.28Å; S140-Y142 PolarHBondContact O-N 3.43Å; S140-L143 CarbonylContact O-C 3.55Å; S140-L143 PolarHBondContact O-N 3.42Å; S140-L143 VanDerWaalsContact O-N 3.11Å; S140-D144 WeakPolarHBondContact O-CB 3.3Å; S140-D144 PolarHBondContact O-N 3.06Å; S140-D144 VanDerWaalsContact O-OD2 3.05Å; S140-D144 PolarHBondContact OG-OD2 3.49Å; S140-L200 WeakPolarHBondContact OG-CA 3.42Å; S140-G202 PolarHBondContact OG-N 3.21Å; S140-L203 PolarHBondContact OG-N 3.3Å
141M98.2Very high97.9Very high118 Ų11839 Ų3958%0.58121%0.209SC*.Hα-helixtrans-57.6-42.6176-70.8175.170.200111.6V137 K138 L139 D144 T145V137-M141 HydrophobicContact CG1-CG 4.34Å; V137-M141 HydrophobicContact CG1-SD 3.98Å; V137-M141 VanDerWaalsContact O-CG 3.31Å; V137-M141 WeakPolarHBondContact O-CG 3.4Å; V137-M141 PolarHBondContact O-N 3.24Å; K138-M141 PolarHBondContact O-N 2.56Å; L139-M141 PolarHBondContact O-N 2.68Å; M141-D144 PolarHBondContact O-N 3.23Å; M141-T145 WeakPolarHBondContact O-CB 3.47Å; M141-T145 PolarHBondContact O-N 3.29Å; M141-T145 PolarHBondContact O-OG1 3.27Å
142Y98.5Very high97.8Very high13 Ų1342.5 Ų42.55%0.05123%0.23CC..Hα-helixtrans-60.4-49.2174.1176.9-102000111.5E101 S102 T105 K138 L139 S140 D144 T145 L147 R162 L165E101-Y142 HydrophobicContact CB-CE2 3.98Å; E101-Y142 HydrophobicContact CG-CD2 3.94Å; E101-Y142 HydrophobicContact CG-CE2 3.55Å; S102-Y142 WeakPolarHBondContact CA-OH 3.28Å; S102-Y142 PolarHBondContact N-OH 2.91Å; S102-Y142 PolarHBondContact OG-OH 3.27Å; T105-Y142 HydrophobicContact CG2-CD1 3.72Å; T105-Y142 HydrophobicContact CG2-CE1 3.79Å; T105-Y142 HydrophobicContact CG2-CG 4.35Å; K138-Y142 PolarHBondContact O-N 3Å; L139-Y142 WeakPolarHBondContact O-CB 3.35Å; L139-Y142 PolarHBondContact O-N 3.14Å; S140-Y142 VanDerWaalsContact C-N 3.28Å; S140-Y142 PolarHBondContact O-N 3.43Å; Y142-D144 PolarHBondContact O-N 3.03Å; Y142-T145 PolarHBondContact O-N 3.18Å; Y142-L147 HydrophobicContact CE2-CD2 4.23Å; Y142-R162 PolarHBondContact O-NH2 3.33Å; Y142-L165 HydrophobicContact CD1-CD2 4.42Å; Y142-L165 HydrophobicContact CE1-CD2 4.35Å; Y142-L165 VanDerWaalsContact CE1-O 3.3Å; Y142-L165 WeakPolarHBondContact CE1-O 3.11Å; Y142-L165 PolarHBondContact OH-O 2.81Å
143L98.6Very high97.7Very high2 Ų250.2 Ų50.21%0.0127%0.266CS..Hα-helixtrans-63.1-27.7179.5-73.7164.3000113.5L139 S140 S160 R162 L165 L203 R205 Y206L139-L143 HydrophobicContact CD1-CD1 4.06Å; L139-L143 HydrophobicContact CD1-CG 4.32Å; L139-L143 HydrophobicContact CG-CD1 3.93Å; L139-L143 WeakPolarHBondContact O-CG 3.42Å; L139-L143 PolarHBondContact O-N 3.49Å; S140-L143 CarbonylContact O-C 3.55Å; S140-L143 PolarHBondContact O-N 3.42Å; S140-L143 VanDerWaalsContact O-N 3.11Å; L143-S160 WeakPolarHBondContact O-CB 3.42Å; L143-R162 PolarHBondContact O-NH1 2.98Å; L143-L165 HydrophobicContact CD2-CD2 4.09Å; L143-L203 HydrophobicContact CD1-CB 4.45Å; L143-L203 HydrophobicContact CD1-CD1 4.46Å; L143-R205 PolarHBondContact O-NH2 3.02Å; L143-Y206 HydrophobicContact CD1-CD1 4.09Å; L143-Y206 HydrophobicContact CD1-CG 4.04Å; L143-Y206 HydrophobicContact CD2-CD2 4.35Å; L143-Y206 HydrophobicContact CD2-CG 4.21Å
144D98.3Very high97.6Very high39 Ų3951.3 Ų51.321%0.20927%0.272CS..Hα-helixtrans-88.1-18.2177.8-69.1-40.1000112.8S140 M141 Y142 P146 E159 S160 G202 R205S140-D144 WeakPolarHBondContact O-CB 3.3Å; S140-D144 PolarHBondContact O-N 3.06Å; S140-D144 VanDerWaalsContact O-OD2 3.05Å; S140-D144 PolarHBondContact OG-OD2 3.49Å; M141-D144 PolarHBondContact O-N 3.23Å; Y142-D144 PolarHBondContact O-N 3.03Å; D144-P146 WeakPolarHBondContact O-CD 3.31Å; D144-E159 WeakPolarHBondContact O-CA 3.25Å; D144-S160 PolarHBondContact O-N 3.46Å; D144-G202 WeakPolarHBondContact OD1-CA 3.42Å; D144-G202 PolarHBondContact OD1-N 2.87Å; D144-G202 PolarHBondContact OD2-N 3.24Å; D144-G202 VanDerWaalsContact OD2-N 3.09Å; D144-R205 IonicContact OD1-CZ 2.66Å; D144-R205 IonicContact OD1-NH1 3.07Å; D144-R205 PolarHBondContact OD1-NH1 3.43Å; D144-R205 IonicContact OD1-NH2 2.67Å; D144-R205 PolarHBondContact OD1-NH2 2.93Å
145T98.2Very high97.4Very high84 Ų8453.6 Ų53.652%0.51529%0.285SS..SBendtrans-81123178.1-59.10000110.4M141 Y142 L147 R162M141-T145 WeakPolarHBondContact O-CB 3.47Å; M141-T145 PolarHBondContact O-N 3.29Å; M141-T145 PolarHBondContact O-OG1 3.27Å; Y142-T145 PolarHBondContact O-N 3.18Å; T145-L147 PolarHBondContact O-N 2.94Å; T145-R162 PolarHBondContact O-NH1 2.81Å
146P98.1Very high97.3Very high20 Ų2060.1 Ų60.113%0.1332%0.32CS..PPolyproline II helixtrans-55.5133.6175.9-26.234.7000113D144 E150 L151 I157D144-P146 WeakPolarHBondContact O-CD 3.31Å; P146-E150 HydrophobicContact CB-CB 4.41Å; P146-L151 HydrophobicContact CB-CD1 4.5Å; P146-L151 HydrophobicContact CB-CD2 4.09Å; P146-L151 HydrophobicContact CB-CG 4.02Å; P146-I157 HydrophobicContact CB-CG2 3.82Å; P146-I157 HydrophobicContact CG-CG2 3.84Å
147L97.8Very high97.2Very high9 Ų961.9 Ų61.95%0.04733%0.329CS..PPolyproline II helixtrans-79.9159.8172-68.1176.8000111Y99 Y142 T145 H149 E150 L151Y99-L147 HydrophobicContact CD2-CB 4.41Å; Y99-L147 HydrophobicContact CD2-CD1 3.77Å; Y99-L147 HydrophobicContact CD2-CD2 4.15Å; Y99-L147 HydrophobicContact CD2-CG 4.34Å; Y99-L147 HydrophobicContact CE2-CB 3.92Å; Y99-L147 HydrophobicContact CE2-CD1 3.82Å; Y99-L147 HydrophobicContact CE2-CG 4.3Å; Y99-L147 HydrophobicContact CG-CD2 4.5Å; Y142-L147 HydrophobicContact CE2-CD2 4.23Å; T145-L147 PolarHBondContact O-N 2.94Å; L147-H149 VanDerWaalsContact C-N 3.26Å; L147-H149 PolarHBondContact O-N 3.35Å; L147-H149 VanDerWaalsContact O-N 3.1Å; L147-E150 PolarHBondContact N-OE2 3.29Å; L147-E150 WeakPolarHBondContact O-CB 3.34Å; L147-E150 PolarHBondContact O-N 2.82Å; L147-L151 PolarHBondContact O-N 2.92Å
148P97.3Very high97Very high63 Ų6365.3 Ų65.341%0.40935%0.35SS..Hα-helixtrans-51-39.4-178.5-31.335.7000115Y99 E150 L151 D152Y99-P148 HydrophobicContact CD1-CG 4.21Å; Y99-P148 HydrophobicContact CE1-CB 3.88Å; Y99-P148 HydrophobicContact CE1-CG 3.58Å; P148-E150 VanDerWaalsContact C-N 3.3Å; P148-E150 PolarHBondContact O-N 2.91Å; P148-L151 PolarHBondContact O-N 3.4Å; P148-D152 PolarHBondContact O-N 3.34Å
149H96Very high96.8Very high30 Ų3064.5 Ų64.514%0.13935%0.348CS..Hα-helixtrans-69.6-25.7179.871.9-83.2000113.8Y99 L147 Q153Y99-H149 AromaticContact CE2-ND1 3.5Å; Y99-H149 AromaticContact CZ-ND1 3.72Å; Y99-H149 VanDerWaalsContact OH-CB 3.28Å; Y99-H149 WeakPolarHBondContact OH-CB 3.3Å; Y99-H149 PolarHBondContact OH-N 3.33Å; Y99-H149 PolarHBondContact OH-ND1 3.04Å; L147-H149 VanDerWaalsContact C-N 3.26Å; L147-H149 PolarHBondContact O-N 3.35Å; L147-H149 VanDerWaalsContact O-N 3.1Å; H149-Q153 WeakPolarHBondContact O-CG 3.37Å
150E96.9Very high96.8Very high15 Ų1564.5 Ų64.57%0.0735%0.349CS..Hα-helixtrans-73.3-40173.3-65.317697.900109.6P146 L147 P148 Q153 N154 S160 T161 R162P146-E150 HydrophobicContact CB-CB 4.41Å; L147-E150 PolarHBondContact N-OE2 3.29Å; L147-E150 WeakPolarHBondContact O-CB 3.34Å; L147-E150 PolarHBondContact O-N 2.82Å; P148-E150 VanDerWaalsContact C-N 3.3Å; P148-E150 PolarHBondContact O-N 2.91Å; E150-Q153 PolarHBondContact O-N 2.93Å; E150-N154 PolarHBondContact O-N 3.43Å; E150-S160 PolarHBondContact OE1-OG 2.96Å; E150-S160 PolarHBondContact OE2-OG 3.3Å; E150-T161 PolarHBondContact OE1-N 3.41Å; E150-T161 VanDerWaalsContact OE1-N 3.08Å; E150-R162 PolarHBondContact OE1-N 3.42Å; E150-R162 IonicContact OE2-NH1 2.66Å
151L96.9Very high96.7Very high66 Ų6669 Ų6935%0.34638%0.376SS..Hα-helixtrans-68.2-34.8176.7-66.9167.1000112.6P146 L147 P148 Q153 N154 P155 I157P146-L151 HydrophobicContact CB-CD1 4.5Å; P146-L151 HydrophobicContact CB-CD2 4.09Å; P146-L151 HydrophobicContact CB-CG 4.02Å; L147-L151 PolarHBondContact O-N 2.92Å; P148-L151 PolarHBondContact O-N 3.4Å; L151-Q153 PolarHBondContact O-N 3.1Å; L151-N154 CarbonylContact O-C 3.29Å; L151-N154 VanDerWaalsContact O-C 3.26Å; L151-N154 PolarHBondContact O-N 2.99Å; L151-P155 VanDerWaalsContact O-CA 3.28Å; L151-P155 WeakPolarHBondContact O-CA 3.4Å; L151-P155 WeakPolarHBondContact O-CD 3.38Å; L151-P155 WeakPolarHBondContact O-CG 3.22Å; L151-I157 HydrophobicContact CD2-CG2 3.83Å
152D95.8Very high96.7Very high137 Ų13763.5 Ų63.573%0.73335%0.349SS*.Hα-helixtrans-61.7-32.9173.6-67.6-27000111.6P148P148-D152 PolarHBondContact O-N 3.34Å
153Q94.9Very high96.7Very high162 Ų16265.5 Ų65.576%0.75736%0.36SS*.Hα-helixtrans-84.7-38.5178.2-66.517427.400112.5H149 E150 L151H149-Q153 WeakPolarHBondContact O-CG 3.37Å; E150-Q153 PolarHBondContact O-N 2.93Å; L151-Q153 PolarHBondContact O-N 3.1Å
154N95.3Very high96.7Very high78 Ų7865.7 Ų65.742%0.41736%0.361SS..  trans-143.794.7177.6-178.24.2000110.6E150 L151 N156 I157E150-N154 PolarHBondContact O-N 3.43Å; L151-N154 CarbonylContact O-C 3.29Å; L151-N154 VanDerWaalsContact O-C 3.26Å; L151-N154 PolarHBondContact O-N 2.99Å; N154-N156 PolarHBondContact O-N 3.49Å; N154-N156 PolarHBondContact OD1-N 3.19Å; N154-I157 HydrophobicContact CB-CB 4.4Å; N154-I157 WeakPolarHBondContact O-CG2 3.36Å; N154-I157 PolarHBondContact O-N 3.14Å; N154-I157 VanDerWaalsContact O-N 3.16Å
155P94.9Very high96.7Very high98 Ų9863.9 Ų63.964%0.63635%0.351SS*.THydrogen-bonded Turntrans-63.2-17.4-177.1-25.434.2000115.1L151L151-P155 VanDerWaalsContact O-CA 3.28Å; L151-P155 WeakPolarHBondContact O-CA 3.4Å; L151-P155 WeakPolarHBondContact O-CD 3.38Å; L151-P155 WeakPolarHBondContact O-CG 3.22Å
156N95Very high96.7Very high141 Ų14160.7 Ų60.775%0.75433%0.331SS*.THydrogen-bonded Turntrans-95.82.5-177.3-62.3-44.6000113N154 T158N154-N156 PolarHBondContact O-N 3.49Å; N154-N156 PolarHBondContact OD1-N 3.19Å; N156-T158 PolarHBondContact O-N 2.95Å
157I96.3Very high96.7Very high37 Ų3760.1 Ų60.119%0.1933%0.329CS..  trans-68131.1178-163.5174.8000110.2P146 L151 N154 E159P146-I157 HydrophobicContact CB-CG2 3.82Å; P146-I157 HydrophobicContact CG-CG2 3.84Å; L151-I157 HydrophobicContact CD2-CG2 3.83Å; N154-I157 HydrophobicContact CB-CB 4.4Å; N154-I157 WeakPolarHBondContact O-CG2 3.36Å; N154-I157 PolarHBondContact O-N 3.14Å; N154-I157 VanDerWaalsContact O-N 3.16Å; I157-E159 WeakPolarHBondContact CD1-O 3.29Å; I157-E159 WeakPolarHBondContact CG1-O 3.3Å
158T94.1Very high96.7Very high125 Ų12564.4 Ų64.477%0.76735%0.352SS*.  trans-105.2-21.1-178.2560000113.1N156N156-T158 PolarHBondContact O-N 2.95Å
159E95.6Very high96.8Very high112 Ų11265.7 Ų65.752%0.52336%0.362SS..SBendtrans-132.1132.5179.3-65.2-172.2172.300109.3D144 I157D144-E159 WeakPolarHBondContact O-CA 3.25Å; I157-E159 WeakPolarHBondContact CD1-O 3.29Å; I157-E159 WeakPolarHBondContact CG1-O 3.3Å
160S97.8Very high96.9Very high2 Ų264.9 Ų64.91%0.01436%0.358CS..  trans-67.7142.5177.6-1770000111.4L143 D144 E150 R162 R205L143-S160 WeakPolarHBondContact O-CB 3.42Å; D144-S160 PolarHBondContact O-N 3.46Å; E150-S160 PolarHBondContact OE1-OG 2.96Å; E150-S160 PolarHBondContact OE2-OG 3.3Å; S160-R162 VanDerWaalsContact CB-NH1 3.32Å; S160-R162 VanDerWaalsContact OG-CG 3.28Å; S160-R162 WeakPolarHBondContact OG-CG 3.49Å; S160-R162 PolarHBondContact OG-N 3.27Å; S160-R162 PolarHBondContact OG-NH1 3.1Å; S160-R205 PolarHBondContact O-NH2 3.11Å
161T96.6Very high97Very high99 Ų9964.7 Ų64.761%0.60736%0.358SS*.  trans-107-1.8173.8560000112.7E150E150-T161 PolarHBondContact OE1-N 3.41Å; E150-T161 VanDerWaalsContact OE1-N 3.08Å
162R98Very high97Very high2 Ų262.3 Ų62.31%0.00835%0.346CS..  trans-56.7148.8-176.478.8-174.7-179.6-92.510.9112.5Y142 L143 T145 E150 S160 Y164 L165 D168 R205Y142-R162 PolarHBondContact O-NH2 3.33Å; L143-R162 PolarHBondContact O-NH1 2.98Å; T145-R162 PolarHBondContact O-NH1 2.81Å; E150-R162 PolarHBondContact OE1-N 3.42Å; E150-R162 IonicContact OE2-NH1 2.66Å; S160-R162 VanDerWaalsContact CB-NH1 3.32Å; S160-R162 VanDerWaalsContact OG-CG 3.28Å; S160-R162 WeakPolarHBondContact OG-CG 3.49Å; S160-R162 PolarHBondContact OG-N 3.27Å; S160-R162 PolarHBondContact OG-NH1 3.1Å; R162-Y164 VanDerWaalsContact CD-O 3.25Å; R162-Y164 WeakPolarHBondContact CD-O 3.17Å; R162-Y164 VanDerWaalsContact CG-O 3.28Å; R162-Y164 WeakPolarHBondContact CG-O 3.21Å; R162-Y164 PolarHBondContact NE-O 3.29Å; R162-L165 PolarHBondContact NE-O 3.18Å; R162-L165 VanDerWaalsContact NE-O 3.12Å; R162-D168 VanDerWaalsContact CA-OD1 3.29Å; R162-D168 WeakPolarHBondContact CA-OD1 3.39Å; R162-R205 PolarHBondContact O-NE 3.38Å
163L98.5Very high97.2Very high55 Ų5556 Ų5629%0.28831%0.313SS..SBendtrans-80.7-35.3-176.9-54.4-176000112.9D168L163-D168 HydrophobicContact CD1-CB 4.36Å; L163-D168 HydrophobicContact CG-CB 4.34Å; L163-D168 PolarHBondContact N-OD1 3.24Å
164Y98.7Very high97.4Very high6 Ų648.3 Ų48.32%0.02428%0.277CS..SBendtrans-133.3-175.5-170.5-49.4-58.1000112.7R162 D166 G167 D168 S169 F170 Y206 N209 Q213R162-Y164 VanDerWaalsContact CD-O 3.25Å; R162-Y164 WeakPolarHBondContact CD-O 3.17Å; R162-Y164 VanDerWaalsContact CG-O 3.28Å; R162-Y164 WeakPolarHBondContact CG-O 3.21Å; R162-Y164 PolarHBondContact NE-O 3.29Å; Y164-D166 VanDerWaalsContact C-N 3.31Å; Y164-D166 PolarHBondContact O-N 3.47Å; Y164-G167 CarbonylContact C-O 3.58Å; Y164-G167 WeakPolarHBondContact CA-O 3.45Å; Y164-G167 WeakPolarHBondContact CB-O 3.19Å; Y164-G167 PolarHBondContact N-O 2.98Å; Y164-D168 WeakPolarHBondContact CE2-O 3.24Å; Y164-S169 VanDerWaalsContact CD2-C 3.42Å; Y164-F170 AromaticContact CD1-CD1 3.59Å; Y164-F170 HydrophobicContact CD1-CD1 3.59Å; Y164-F170 AromaticContact CD1-CE1 3.32Å; Y164-F170 HydrophobicContact CD1-CE1 3.32Å; Y164-F170 HydrophobicContact CD1-CZ 4.47Å; Y164-F170 AromaticContact CD2-CD1 3.86Å; Y164-F170 HydrophobicContact CD2-CD1 3.86Å; Y164-F170 HydrophobicContact CD2-CE1 4.32Å; Y164-F170 AromaticContact CE1-CD1 3.76Å; Y164-F170 HydrophobicContact CE1-CD1 3.76Å; Y164-F170 AromaticContact CE1-CE1 3.21Å; Y164-F170 HydrophobicContact CE1-CE1 3.21Å; Y164-F170 AromaticContact CE1-CZ 4Å; Y164-F170 HydrophobicContact CE1-CZ 4Å; Y164-F170 HydrophobicContact CE2-CD1 4.01Å; Y164-F170 HydrophobicContact CE2-CE1 4.22Å; Y164-F170 AromaticContact CG-CD1 3.64Å; Y164-F170 HydrophobicContact CG-CD1 3.64Å; Y164-F170 AromaticContact CG-CE1 3.91Å; Y164-F170 HydrophobicContact CG-CE1 3.91Å; Y164-F170 AromaticContact CZ-CD1 3.96Å; Y164-F170 AromaticContact CZ-CE1 3.69Å; Y164-Y206 HydrophobicContact CD1-CD2 4.03Å; Y164-Y206 AromaticContact CD1-CE2 3.92Å; Y164-Y206 HydrophobicContact CD1-CE2 3.92Å; Y164-Y206 HydrophobicContact CG-CE2 4.5Å; Y164-N209 HydrophobicContact CE1-CB 3.93Å; Y164-Q213 VanDerWaalsContact OH-CD 3.24Å; Y164-Q213 WeakPolarHBondContact OH-CG 3.29Å; Y164-Q213 PolarHBondContact OH-NE2 3.44Å
165L98.6Very high97.5Very high1 Ų144.6 Ų44.61%0.00526%0.257CS..SBendtrans-58.8-40.6-169-71.6171.7000113.7S102 T105 L139 Y142 L143 R162 A173 D174 L177 Y206S102-L165 PolarHBondContact OG-O 3.41Å; T105-L165 HydrophobicContact CG2-CD2 3.7Å; L139-L165 HydrophobicContact CD1-CD2 3.86Å; Y142-L165 HydrophobicContact CD1-CD2 4.42Å; Y142-L165 HydrophobicContact CE1-CD2 4.35Å; Y142-L165 VanDerWaalsContact CE1-O 3.3Å; Y142-L165 WeakPolarHBondContact CE1-O 3.11Å; Y142-L165 PolarHBondContact OH-O 2.81Å; L143-L165 HydrophobicContact CD2-CD2 4.09Å; R162-L165 PolarHBondContact NE-O 3.18Å; R162-L165 VanDerWaalsContact NE-O 3.12Å; L165-A173 HydrophobicContact CD1-CB 3.66Å; L165-D174 WeakPolarHBondContact CB-OD1 3.44Å; L165-D174 WeakPolarHBondContact CD1-OD1 3.28Å; L165-D174 WeakPolarHBondContact CG-OD1 3.19Å; L165-D174 PolarHBondContact N-OD1 2.99Å; L165-D174 VanDerWaalsContact N-OD1 3.12Å; L165-L177 HydrophobicContact CD1-CB 4.31Å; L165-L177 HydrophobicContact CD1-CD2 3.96Å; L165-L177 HydrophobicContact CD2-CD2 4.1Å; L165-Y206 HydrophobicContact CG-CE2 4.27Å
166D98.5Very high97.7Very high17 Ų1741.6 Ų41.69%0.09124%0.236CC..SBendtrans-113.9-0.6-170.7-158.370.6000113.7C97 R98 Y99 S102 Y164 T171C97-D166 WeakPolarHBondContact CA-OD2 3.36Å; C97-D166 HydrophobicContact CB-CB 4.3Å; R98-D166 VanDerWaalsContact CB-OD2 3.3Å; R98-D166 WeakPolarHBondContact CB-OD2 3.22Å; R98-D166 PolarHBondContact N-OD2 2.9Å; Y99-D166 VanDerWaalsContact CD2-OD1 3.24Å; Y99-D166 WeakPolarHBondContact CD2-OD1 3.21Å; Y99-D166 PolarHBondContact N-OD1 2.98Å; S102-D166 VanDerWaalsContact CB-OD1 3.22Å; S102-D166 WeakPolarHBondContact CB-OD1 3.42Å; S102-D166 PolarHBondContact OG-OD1 3.18Å; Y164-D166 VanDerWaalsContact C-N 3.31Å; Y164-D166 PolarHBondContact O-N 3.47Å; D166-T171 HydrophobicContact CB-CG2 3.74Å
167G98.1Very high97.9Very high8 Ų835.2 Ų35.28%0.08220%0.201CC..SBendtrans153.9-149.2-175.700000112Y164Y164-G167 CarbonylContact C-O 3.58Å; Y164-G167 WeakPolarHBondContact CA-O 3.45Å; Y164-G167 WeakPolarHBondContact CB-O 3.19Å; Y164-G167 PolarHBondContact N-O 2.98Å
168D97.9Very high98Very high99 Ų9933.4 Ų33.453%0.52919%0.192SC..SBendtrans-95.96.1-174.3-66-20.3000114.6R162 L163 Y164R162-D168 VanDerWaalsContact CA-OD1 3.29Å; R162-D168 WeakPolarHBondContact CA-OD1 3.39Å; L163-D168 HydrophobicContact CD1-CB 4.36Å; L163-D168 HydrophobicContact CG-CB 4.34Å; L163-D168 PolarHBondContact N-OD1 3.24Å; Y164-D168 WeakPolarHBondContact CE2-O 3.24Å
169S97.8Very high98.2Very high89 Ų8927.5 Ų27.562%0.62216%0.156SC*.SBendtrans-126.3149.1174.4-63.30000110.8Y164Y164-S169 VanDerWaalsContact CD2-C 3.42Å
170F98.6Very high98.3Very high13 Ų1323.6 Ų23.66%0.05714%0.137CC..  trans-62.7142.4174.9-77.3-25.2000111.7M31 L35 Y164 D174 L178 A210 Q213 Q215 F216M31-F170 HydrophobicContact CE-CD2 4.45Å; M31-F170 HydrophobicContact CE-CE2 4.22Å; L35-F170 HydrophobicContact CD1-CB 3.71Å; L35-F170 HydrophobicContact CD1-CD2 4.13Å; L35-F170 HydrophobicContact CD1-CG 4.41Å; L35-F170 HydrophobicContact CD2-CB 4.13Å; L35-F170 HydrophobicContact CD2-CD2 4.1Å; Y164-F170 AromaticContact CD1-CD1 3.59Å; Y164-F170 HydrophobicContact CD1-CD1 3.59Å; Y164-F170 AromaticContact CD1-CE1 3.32Å; Y164-F170 HydrophobicContact CD1-CE1 3.32Å; Y164-F170 HydrophobicContact CD1-CZ 4.47Å; Y164-F170 AromaticContact CD2-CD1 3.86Å; Y164-F170 HydrophobicContact CD2-CD1 3.86Å; Y164-F170 HydrophobicContact CD2-CE1 4.32Å; Y164-F170 AromaticContact CE1-CD1 3.76Å; Y164-F170 HydrophobicContact CE1-CD1 3.76Å; Y164-F170 AromaticContact CE1-CE1 3.21Å; Y164-F170 HydrophobicContact CE1-CE1 3.21Å; Y164-F170 AromaticContact CE1-CZ 4Å; Y164-F170 HydrophobicContact CE1-CZ 4Å; Y164-F170 HydrophobicContact CE2-CD1 4.01Å; Y164-F170 HydrophobicContact CE2-CE1 4.22Å; Y164-F170 AromaticContact CG-CD1 3.64Å; Y164-F170 HydrophobicContact CG-CD1 3.64Å; Y164-F170 AromaticContact CG-CE1 3.91Å; Y164-F170 HydrophobicContact CG-CE1 3.91Å; Y164-F170 AromaticContact CZ-CD1 3.96Å; Y164-F170 AromaticContact CZ-CE1 3.69Å; F170-D174 HydrophobicContact CB-CB 4.41Å; F170-D174 HydrophobicContact CD1-CB 3.83Å; F170-D174 HydrophobicContact CE1-CB 4.45Å; F170-D174 HydrophobicContact CG-CB 4.35Å; F170-L178 HydrophobicContact CD1-CD1 4.26Å; F170-L178 HydrophobicContact CE1-CD1 3.53Å; F170-L178 HydrophobicContact CZ-CD1 3.72Å; F170-A210 HydrophobicContact CE1-CB 4.36Å; F170-A210 HydrophobicContact CZ-CB 4.2Å; F170-Q213 HydrophobicContact CE1-CG 4.39Å; F170-Q213 HydrophobicContact CE2-CB 3.52Å; F170-Q213 HydrophobicContact CE2-CG 3.71Å; F170-Q213 HydrophobicContact CZ-CB 3.69Å; F170-Q213 HydrophobicContact CZ-CG 3.6Å; F170-Q215 HydrophobicContact CE2-CB 4.46Å; F170-F216 HydrophobicContact CE2-CB 4.21Å; F170-F216 HydrophobicContact CZ-CB 4.19Å
171T98.6Very high98.4Very high12 Ų1223.5 Ų23.57%0.07414%0.136CC..  trans-122175.717562.60000111.2L95 C97 D166 A173 D174 C175L95-T171 CarbonylContact O-C 3.38Å; L95-T171 WeakPolarHBondContact O-CA 3.3Å; L95-T171 VanDerWaalsContact O-CB 3.22Å; L95-T171 WeakPolarHBondContact O-CB 3.39Å; C97-T171 PolarHBondContact SG-OG1 3.05Å; D166-T171 HydrophobicContact CB-CG2 3.74Å; T171-A173 PolarHBondContact O-N 3.42Å; T171-A173 PolarHBondContact OG1-N 2.74Å; T171-D174 PolarHBondContact N-OD2 2.94Å; T171-D174 WeakPolarHBondContact O-CB 3.44Å; T171-D174 PolarHBondContact O-N 2.86Å; T171-D174 VanDerWaalsContact O-N 3.11Å; T171-D174 PolarHBondContact OG1-OD2 3.1Å; T171-C175 PolarHBondContact O-N 2.88Å; T171-C175 VanDerWaalsContact O-N 3.13Å; T171-C175 PolarHBondContact O-SG 2.95Å
172L98.6Very high98.4Very high15 Ų1519 Ų198%0.07911%0.109CC..Hα-helixtrans-56.6-34.3172-63179.9000112.1I32 E80 E84 L95 D174 C175 N176I32-L172 HydrophobicContact CD1-CD2 3.87Å; I32-L172 HydrophobicContact CG1-CD2 3.82Å; I32-L172 HydrophobicContact CG2-CD2 4.31Å; E80-L172 HydrophobicContact CG-CD1 3.99Å; E80-L172 HydrophobicContact CG-CD2 3.93Å; E80-L172 HydrophobicContact CG-CG 4.44Å; E84-L172 HydrophobicContact CB-CD1 4.26Å; E84-L172 HydrophobicContact CG-CD1 4.11Å; L95-L172 HydrophobicContact CB-CD2 3.79Å; L95-L172 HydrophobicContact CB-CG 3.89Å; L95-L172 HydrophobicContact CD1-CD2 4.31Å; L95-L172 PolarHBondContact O-N 3.49Å; L172-D174 VanDerWaalsContact C-N 3.34Å; L172-D174 PolarHBondContact O-N 3.12Å; L172-C175 PolarHBondContact O-N 3.2Å; L172-N176 WeakPolarHBondContact O-CB 3.12Å; L172-N176 PolarHBondContact O-N 3.12Å
173A98.5Very high98.4Very high6 Ų619 Ų195%0.0511%0.109CC..Hα-helixtrans-63.5-40.1176.400000112.1C97 S102 L165 T171 N176 L177C97-A173 WeakPolarHBondContact SG-CB 3.38Å; S102-A173 WeakPolarHBondContact O-CB 3.43Å; L165-A173 HydrophobicContact CD1-CB 3.66Å; T171-A173 PolarHBondContact O-N 3.42Å; T171-A173 PolarHBondContact OG1-N 2.74Å; A173-N176 PolarHBondContact O-N 3.47Å; A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 PolarHBondContact O-N 3.27Å
174D98.8Very high98.4Very high0 Ų016.4 Ų16.40%010%0.095CC..Hα-helixtrans-65.7-45176.9-59.4-69.5000110.9L165 F170 T171 L172 N176 L177 L178 Y206L165-D174 WeakPolarHBondContact CB-OD1 3.44Å; L165-D174 WeakPolarHBondContact CD1-OD1 3.28Å; L165-D174 WeakPolarHBondContact CG-OD1 3.19Å; L165-D174 PolarHBondContact N-OD1 2.99Å; L165-D174 VanDerWaalsContact N-OD1 3.12Å; F170-D174 HydrophobicContact CB-CB 4.41Å; F170-D174 HydrophobicContact CD1-CB 3.83Å; F170-D174 HydrophobicContact CE1-CB 4.45Å; F170-D174 HydrophobicContact CG-CB 4.35Å; T171-D174 PolarHBondContact N-OD2 2.94Å; T171-D174 WeakPolarHBondContact O-CB 3.44Å; T171-D174 PolarHBondContact O-N 2.86Å; T171-D174 VanDerWaalsContact O-N 3.11Å; T171-D174 PolarHBondContact OG1-OD2 3.1Å; L172-D174 VanDerWaalsContact C-N 3.34Å; L172-D174 PolarHBondContact O-N 3.12Å; D174-N176 PolarHBondContact O-N 3.29Å; D174-L177 PolarHBondContact O-N 3.07Å; D174-L178 HydrophobicContact CB-CD1 4.02Å; D174-L178 VanDerWaalsContact O-CB 3.3Å; D174-L178 WeakPolarHBondContact O-CB 3.3Å; D174-L178 WeakPolarHBondContact O-CG 3.33Å; D174-L178 PolarHBondContact O-N 3.04Å; D174-Y206 WeakPolarHBondContact OD1-CE2 3.26Å; D174-Y206 PolarHBondContact OD1-OH 3.37Å
175C98.6Very high98.3Very high0 Ų020.7 Ų20.70%011%0.114CC..Hα-helixtrans-58.7-31.7175.7-600000112.2R28 M31 I32 L35 T171 L172 P179R28-C175 WeakPolarHBondContact CA-O 3.33Å; R28-C175 VanDerWaalsContact CB-O 3.28Å; R28-C175 WeakPolarHBondContact CB-O 3.46Å; R28-C175 HydrophobicContact CG-CB 4.19Å; R28-C175 WeakPolarHBondContact CG-O 3.3Å; M31-C175 HydrophobicContact CB-CB 4.23Å; I32-C175 HydrophobicContact CD1-CB 4.24Å; I32-C175 HydrophobicContact CG1-CB 3.83Å; L35-C175 WeakPolarHBondContact CD1-SG 3.26Å; T171-C175 PolarHBondContact O-N 2.88Å; T171-C175 VanDerWaalsContact O-N 3.13Å; T171-C175 PolarHBondContact O-SG 2.95Å; L172-C175 PolarHBondContact O-N 3.2Å; C175-P179 WeakPolarHBondContact O-CD 3.13Å; C175-P179 VanDerWaalsContact O-CG 3.28Å; C175-P179 WeakPolarHBondContact O-CG 3.47Å
176N98.4Very high98.3Very high35 Ų3521.2 Ų21.219%0.18712%0.117CC..Hα-helixtrans-80.3-35.4178.218044000113.6R28 L172 A173 D174 K180R28-N176 PolarHBondContact NH1-OD1 3.36Å; L172-N176 WeakPolarHBondContact O-CB 3.12Å; L172-N176 PolarHBondContact O-N 3.12Å; A173-N176 PolarHBondContact O-N 3.47Å; D174-N176 PolarHBondContact O-N 3.29Å; N176-K180 WeakPolarHBondContact O-CD 3.38Å; N176-K180 VanDerWaalsContact O-CE 3.25Å; N176-K180 WeakPolarHBondContact O-CE 3.35Å; N176-K180 PolarHBondContact O-NZ 3.32Å; N176-K180 PolarHBondContact OD1-NZ 3.24Å
177L98.6Very high98.2Very high6 Ų620.4 Ų20.43%0.03111%0.113CC..Hα-helixtrans-93.1-42.1-172.1-178.358.2000113.1I109 L139 L165 A173 D174 K180 L181 Y206I109-L177 HydrophobicContact CD1-CD1 4.24Å; L139-L177 HydrophobicContact CD1-CD2 3.9Å; L139-L177 HydrophobicContact CD2-CD2 3.88Å; L165-L177 HydrophobicContact CD1-CB 4.31Å; L165-L177 HydrophobicContact CD1-CD2 3.96Å; L165-L177 HydrophobicContact CD2-CD2 4.1Å; A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 PolarHBondContact O-N 3.27Å; D174-L177 PolarHBondContact O-N 3.07Å; L177-K180 WeakPolarHBondContact O-CB 3.36Å; L177-K180 PolarHBondContact O-N 3.08Å; L177-K180 VanDerWaalsContact O-N 3.09Å; L177-L181 HydrophobicContact CD1-CD1 4.23Å; L177-L181 HydrophobicContact CD1-CD2 4.39Å; L177-L181 HydrophobicContact CD1-CG 4Å; L177-L181 HydrophobicContact CD2-CD1 4.16Å; L177-L181 HydrophobicContact CG-CD1 3.76Å; L177-L181 HydrophobicContact CG-CG 4.02Å; L177-L181 PolarHBondContact O-N 3.08Å; L177-Y206 HydrophobicContact CD2-CE1 4.4Å
178L98.8Very high98.1Very high0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-58.4-44.6-175.3-73.1170.1000113.9M31 F170 D174 K180 L181 N182 Y206 L207 A210 F216M31-L178 HydrophobicContact CE-CD1 4.07Å; F170-L178 HydrophobicContact CD1-CD1 4.26Å; F170-L178 HydrophobicContact CE1-CD1 3.53Å; F170-L178 HydrophobicContact CZ-CD1 3.72Å; D174-L178 HydrophobicContact CB-CD1 4.02Å; D174-L178 VanDerWaalsContact O-CB 3.3Å; D174-L178 WeakPolarHBondContact O-CB 3.3Å; D174-L178 WeakPolarHBondContact O-CG 3.33Å; D174-L178 PolarHBondContact O-N 3.04Å; L178-K180 PolarHBondContact O-N 3.47Å; L178-L181 PolarHBondContact O-N 3.16Å; L178-L181 VanDerWaalsContact O-N 3.16Å; L178-N182 PolarHBondContact O-N 3.09Å; L178-Y206 HydrophobicContact CD2-CD1 4.24Å; L178-Y206 HydrophobicContact CD2-CE1 3.51Å; L178-Y206 HydrophobicContact CD2-CE2 4.14Å; L178-Y206 VanDerWaalsContact CD2-CZ 3.48Å; L178-Y206 HydrophobicContact CG-CE1 4.19Å; L178-Y206 WeakPolarHBondContact CG-OH 3.34Å; L178-L207 HydrophobicContact CD2-CD2 4.34Å; L178-A210 HydrophobicContact CD1-CB 3.85Å; L178-A210 HydrophobicContact CD2-CB 3.48Å; L178-A210 VanDerWaalsContact CD2-CB 3.48Å; L178-A210 HydrophobicContact CG-CB 4.32Å; L178-F216 HydrophobicContact CB-CD2 3.78Å; L178-F216 HydrophobicContact CB-CE2 3.56Å; L178-F216 HydrophobicContact CB-CZ 4.2Å; L178-F216 HydrophobicContact CD1-CD2 4.33Å; L178-F216 HydrophobicContact CD1-CG 4.49Å
179P98.6Very high98Very high0 Ų019.8 Ų19.80%010%0.103CC..Hα-helixtrans-57.7-37.8175.8-28.438000112.9P24 Q27 M31 C175 I183P24-P179 HydrophobicContact CB-CB 3.76Å; Q27-P179 HydrophobicContact CB-CB 4.01Å; Q27-P179 HydrophobicContact CB-CG 3.98Å; Q27-P179 HydrophobicContact CG-CB 4.12Å; Q27-P179 HydrophobicContact CG-CG 3.79Å; M31-P179 HydrophobicContact SD-CG 4.01Å; C175-P179 WeakPolarHBondContact O-CD 3.13Å; C175-P179 VanDerWaalsContact O-CG 3.28Å; C175-P179 WeakPolarHBondContact O-CG 3.47Å; P179-I183 WeakPolarHBondContact O-CG1 3.28Å; P179-I183 PolarHBondContact O-N 3.17Å
180K98.4Very high97.9Very high30 Ų3020.5 Ų20.513%0.1310%0.097CC..Hα-helixtrans-69.7-42.3178.4-65.5168.8-170.2159.30111P24 F110 N176 L177 L178 N182 I183 I184P24-K180 HydrophobicContact CB-CG 4.09Å; F110-K180 HydrophobicContact CB-CB 4.25Å; F110-K180 HydrophobicContact CB-CD 3.91Å; F110-K180 HydrophobicContact CB-CG 4.22Å; F110-K180 HydrophobicContact CD2-CB 3.57Å; F110-K180 HydrophobicContact CD2-CD 4.45Å; F110-K180 HydrophobicContact CD2-CG 3.82Å; F110-K180 HydrophobicContact CE2-CB 4.14Å; F110-K180 HydrophobicContact CE2-CG 4.27Å; F110-K180 HydrophobicContact CG-CB 4.1Å; F110-K180 HydrophobicContact CG-CD 4.14Å; F110-K180 HydrophobicContact CG-CG 3.97Å; N176-K180 WeakPolarHBondContact O-CD 3.38Å; N176-K180 VanDerWaalsContact O-CE 3.25Å; N176-K180 WeakPolarHBondContact O-CE 3.35Å; N176-K180 PolarHBondContact O-NZ 3.32Å; N176-K180 PolarHBondContact OD1-NZ 3.24Å; L177-K180 WeakPolarHBondContact O-CB 3.36Å; L177-K180 PolarHBondContact O-N 3.08Å; L177-K180 VanDerWaalsContact O-N 3.09Å; L178-K180 PolarHBondContact O-N 3.47Å; K180-N182 VanDerWaalsContact C-N 3.34Å; K180-I183 PolarHBondContact O-N 2.91Å; K180-I184 WeakPolarHBondContact O-CD1 3.43Å; K180-I184 WeakPolarHBondContact O-CG1 3.45Å; K180-I184 PolarHBondContact O-N 3.1Å
181L98.4Very high97.6Very high0 Ų021.2 Ų21.20%010%0.099CC..Hα-helixtrans-65.7-35.4176.8-68.9176.2000112.3I109 L136 L139 L177 L178 I184 K185 L203 Y206 L207I109-L181 HydrophobicContact CD1-CD2 4.46Å; I109-L181 HydrophobicContact CG2-CD2 4.29Å; L136-L181 HydrophobicContact CD2-CD2 4.31Å; L139-L181 HydrophobicContact CD2-CD1 4.09Å; L139-L181 HydrophobicContact CD2-CD2 4.36Å; L177-L181 HydrophobicContact CD1-CD1 4.23Å; L177-L181 HydrophobicContact CD1-CD2 4.39Å; L177-L181 HydrophobicContact CD1-CG 4Å; L177-L181 HydrophobicContact CD2-CD1 4.16Å; L177-L181 HydrophobicContact CG-CD1 3.76Å; L177-L181 HydrophobicContact CG-CG 4.02Å; L177-L181 PolarHBondContact O-N 3.08Å; L178-L181 PolarHBondContact O-N 3.16Å; L178-L181 VanDerWaalsContact O-N 3.16Å; L181-I184 HydrophobicContact CD2-CD1 4.29Å; L181-I184 PolarHBondContact O-N 3.46Å; L181-K185 WeakPolarHBondContact O-CB 3.41Å; L181-K185 PolarHBondContact O-N 3.35Å; L181-L203 HydrophobicContact CD1-CD1 4.19Å; L181-Y206 HydrophobicContact CD1-CD1 4.14Å; L181-Y206 HydrophobicContact CD1-CE1 3.76Å; L181-L207 HydrophobicContact CB-CD2 4.05Å; L181-L207 HydrophobicContact CD1-CD2 4.05Å
182N98.2Very high97.3Very high4 Ų422.3 Ų22.32%0.02110%0.102CC..Hα-helixtrans-59.4-51.4173.8-170.444.5000111.3L178 K180 I184 K185 V186 Y211 F216 I226L178-N182 PolarHBondContact O-N 3.09Å; K180-N182 VanDerWaalsContact C-N 3.34Å; N182-I184 VanDerWaalsContact C-N 3.29Å; N182-I184 PolarHBondContact O-N 3.02Å; N182-K185 PolarHBondContact O-N 3.37Å; N182-V186 WeakPolarHBondContact O-CG2 3.29Å; N182-V186 PolarHBondContact O-N 2.93Å; N182-Y211 PolarHBondContact OD1-OH 3.32Å; N182-F216 HydrophobicContact CB-CE2 4.38Å; N182-F216 HydrophobicContact CB-CZ 3.96Å; N182-I226 WeakPolarHBondContact ND2-CD1 3.29Å
183I98.1Very high97Very high3 Ų327.4 Ų27.42%0.01513%0.129CC..Hα-helixtrans-56.8-46177.3-67.4168.1000110.5N22 P24 F110 F113 P179 K180 K185 V186 V187 I226 Y230N22-I183 VanDerWaalsContact OD1-CD1 3.3Å; N22-I183 WeakPolarHBondContact OD1-CD1 3.07Å; P24-I183 HydrophobicContact CB-CD1 3.8Å; P24-I183 HydrophobicContact CG-CD1 3.78Å; F110-I183 HydrophobicContact CE2-CB 4.24Å; F110-I183 HydrophobicContact CE2-CD1 4.27Å; F110-I183 HydrophobicContact CE2-CG2 4.04Å; F110-I183 HydrophobicContact CZ-CD1 4.31Å; F110-I183 HydrophobicContact CZ-CG2 4.46Å; F113-I183 HydrophobicContact CE1-CG2 4.05Å; F113-I183 HydrophobicContact CZ-CG2 4.26Å; P179-I183 WeakPolarHBondContact O-CG1 3.28Å; P179-I183 PolarHBondContact O-N 3.17Å; K180-I183 PolarHBondContact O-N 2.91Å; I183-K185 PolarHBondContact O-N 2.85Å; I183-V186 PolarHBondContact O-N 2.91Å; I183-V187 HydrophobicContact CG2-CG2 3.97Å; I183-V187 VanDerWaalsContact O-CB 3.26Å; I183-V187 WeakPolarHBondContact O-CB 3.48Å; I183-V187 WeakPolarHBondContact O-CG2 3.3Å; I183-V187 PolarHBondContact O-N 3.4Å; I183-I226 HydrophobicContact CB-CG2 4.38Å; I183-I226 HydrophobicContact CG1-CG2 4.24Å; I183-I226 HydrophobicContact CG2-CG2 4.13Å; I183-Y230 HydrophobicContact CG2-CD2 4.41Å; I183-Y230 HydrophobicContact CG2-CE2 3.51Å; I183-Y230 WeakPolarHBondContact CG2-OH 3.25Å
184I97.9Very high96.7Very high0 Ų028.2 Ų28.20%013%0.132CC..Hα-helixtrans-57.2-50178.1-72.9164.5000111.1I109 F110 F113 F132 K180 L181 N182 V186 C188I109-I184 HydrophobicContact CG2-CD1 3.41Å; I109-I184 VanDerWaalsContact CG2-CD1 3.41Å; F110-I184 HydrophobicContact CD2-CD1 4.23Å; F110-I184 HydrophobicContact CD2-CG1 4.36Å; F113-I184 HydrophobicContact CB-CD1 4.04Å; F113-I184 HydrophobicContact CB-CG1 3.93Å; F113-I184 HydrophobicContact CD1-CD1 4.4Å; F113-I184 HydrophobicContact CD1-CG1 3.66Å; F113-I184 HydrophobicContact CD2-CB 4.42Å; F113-I184 HydrophobicContact CD2-CG1 3.78Å; F113-I184 HydrophobicContact CD2-CG2 4.4Å; F113-I184 HydrophobicContact CE1-CG1 4.05Å; F113-I184 HydrophobicContact CE2-CG1 4.16Å; F113-I184 HydrophobicContact CG-CD1 4.17Å; F113-I184 HydrophobicContact CG-CG1 3.51Å; F113-I184 HydrophobicContact CZ-CG1 4.28Å; F132-I184 HydrophobicContact CE1-CG2 4.48Å; F132-I184 HydrophobicContact CE2-CD1 4.3Å; F132-I184 HydrophobicContact CE2-CG2 3.99Å; F132-I184 HydrophobicContact CZ-CG2 3.45Å; F132-I184 VanDerWaalsContact CZ-CG2 3.45Å; K180-I184 WeakPolarHBondContact O-CD1 3.43Å; K180-I184 WeakPolarHBondContact O-CG1 3.45Å; K180-I184 PolarHBondContact O-N 3.1Å; L181-I184 HydrophobicContact CD2-CD1 4.29Å; L181-I184 PolarHBondContact O-N 3.46Å; N182-I184 VanDerWaalsContact C-N 3.29Å; N182-I184 PolarHBondContact O-N 3.02Å; I184-V186 PolarHBondContact O-N 3.2Å; I184-C188 WeakPolarHBondContact O-CB 3.44Å; I184-C188 PolarHBondContact O-N 3.33Å; I184-C188 PolarHBondContact O-SG 3.01Å; I184-C188 VanDerWaalsContact O-SG 3.4Å
185K97.3Very high96.4Very high96 Ų9632.6 Ų32.642%0.41716%0.155SC..Hα-helixtrans-58-50.3-179.4-179.1-166.9172-163.60111.2L181 N182 I183 K189 Y211L181-K185 WeakPolarHBondContact O-CB 3.41Å; L181-K185 PolarHBondContact O-N 3.35Å; N182-K185 PolarHBondContact O-N 3.37Å; I183-K185 PolarHBondContact O-N 2.85Å; K185-K189 VanDerWaalsContact O-CB 3.26Å; K185-K189 WeakPolarHBondContact O-CB 3.46Å; K185-K189 PolarHBondContact O-N 3.26Å; K185-Y211 HydrophobicContact CD-CE2 4.22Å; K185-Y211 VanDerWaalsContact CD-OH 3.26Å; K185-Y211 WeakPolarHBondContact CD-OH 3.41Å
186V97.3Very high96.1Very high13 Ų1333.9 Ų33.98%0.07916%0.162CC..Hα-helixtrans-66.7-49-176.9173.90000111.3N182 I183 I184 E190 D223 I226 L227N182-V186 WeakPolarHBondContact O-CG2 3.29Å; N182-V186 PolarHBondContact O-N 2.93Å; I183-V186 PolarHBondContact O-N 2.91Å; I184-V186 PolarHBondContact O-N 3.2Å; V186-E190 PolarHBondContact O-N 3.13Å; V186-D223 HydrophobicContact CG1-CB 4.01Å; V186-D223 HydrophobicContact CG2-CB 4.46Å; V186-D223 WeakPolarHBondContact CG2-OD1 3.32Å; V186-I226 HydrophobicContact CB-CD1 4.33Å; V186-I226 HydrophobicContact CB-CG2 4.25Å; V186-I226 HydrophobicContact CG1-CB 4.08Å; V186-I226 HydrophobicContact CG1-CD1 4.43Å; V186-I226 HydrophobicContact CG1-CG2 4.05Å; V186-I226 HydrophobicContact CG2-CD1 4.13Å; V186-L227 HydrophobicContact CG1-CD2 3.68Å; V186-L227 HydrophobicContact CG1-CG 3.87Å
187V97Very high95.8Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-72.6-42.2-174.5177.90000112F113 I117 I183 K189 E190 Y191 I226 Y230F113-V187 HydrophobicContact CE2-CB 4.32Å; F113-V187 HydrophobicContact CE2-CG1 4.23Å; F113-V187 HydrophobicContact CZ-CB 3.94Å; F113-V187 HydrophobicContact CZ-CG1 3.91Å; F113-V187 HydrophobicContact CZ-CG2 4.47Å; I117-V187 HydrophobicContact CD1-CG1 3.84Å; I117-V187 HydrophobicContact CG1-CG1 3.6Å; I183-V187 HydrophobicContact CG2-CG2 3.97Å; I183-V187 VanDerWaalsContact O-CB 3.26Å; I183-V187 WeakPolarHBondContact O-CB 3.48Å; I183-V187 WeakPolarHBondContact O-CG2 3.3Å; I183-V187 PolarHBondContact O-N 3.4Å; V187-K189 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 2.98Å; V187-E190 PolarHBondContact O-N 3.39Å; V187-Y191 HydrophobicContact CB-CD2 4.47Å; V187-Y191 HydrophobicContact CG1-CD2 3.69Å; V187-Y191 HydrophobicContact CG1-CE2 4.28Å; V187-Y191 WeakPolarHBondContact O-CB 3.34Å; V187-Y191 WeakPolarHBondContact O-CD2 3.45Å; V187-Y191 PolarHBondContact O-N 3.24Å; V187-I226 HydrophobicContact CG2-CG2 3.56Å; V187-Y230 HydrophobicContact CG1-CD1 3.79Å; V187-Y230 HydrophobicContact CG1-CE1 4.47Å; V187-Y230 HydrophobicContact CG1-CG 3.89Å; V187-Y230 HydrophobicContact CG2-CD1 4.21Å; V187-Y230 HydrophobicContact CG2-CD2 3.67Å; V187-Y230 HydrophobicContact CG2-CE2 4.12Å; V187-Y230 HydrophobicContact CG2-CG 3.71Å
188C95.4Very high95.6Very high1 Ų142.1 Ų42.11%0.00720%0.2CC..Hα-helixtrans-66.3-35.8178.6-750000112F113 I184 R192 N193 F194F113-C188 VanDerWaalsContact CE2-SG 3.58Å; I184-C188 WeakPolarHBondContact O-CB 3.44Å; I184-C188 PolarHBondContact O-N 3.33Å; I184-C188 PolarHBondContact O-SG 3.01Å; I184-C188 VanDerWaalsContact O-SG 3.4Å; C188-R192 CarbonylContact O-C 3.55Å; C188-R192 WeakPolarHBondContact O-CA 3.48Å; C188-R192 WeakPolarHBondContact O-CB 3.47Å; C188-R192 PolarHBondContact O-N 2.61Å; C188-R192 VanDerWaalsContact O-N 3.08Å; C188-N193 PolarHBondContact O-N 2.79Å; C188-F194 CarbonylContact C-O 3.26Å; C188-F194 HydrophobicContact CB-CB 4.12Å; C188-F194 HydrophobicContact CB-CD1 3.81Å; C188-F194 HydrophobicContact CB-CG 4.39Å; C188-F194 PolarHBondContact O-N 3.44Å; C188-F194 VanDerWaalsContact O-N 3.09Å
189K95.5Very high95.5Very high92 Ų9249.4 Ų49.440%0.423%0.234SC..Hα-helixtrans-60.2-51.9176.1-179.153.7163.9-172.40111K185 V187 N193 F194 D195K185-K189 VanDerWaalsContact O-CB 3.26Å; K185-K189 WeakPolarHBondContact O-CB 3.46Å; K185-K189 PolarHBondContact O-N 3.26Å; V187-K189 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 2.98Å; K189-N193 WeakPolarHBondContact O-CA 3.28Å; K189-N193 PolarHBondContact O-N 2.89Å; K189-F194 PolarHBondContact N-O 2.84Å; K189-D195 WeakPolarHBondContact CD-OD1 3.35Å; K189-D195 WeakPolarHBondContact CE-OD1 3.26Å; K189-D195 VanDerWaalsContact NZ-CG 3.26Å; K189-D195 IonicContact NZ-OD1 3.74Å; K189-D195 PolarHBondContact NZ-OD1 3.3Å; K189-D195 VanDerWaalsContact NZ-OD1 3.07Å; K189-D195 IonicContact NZ-OD2 3.21Å; K189-D195 PolarHBondContact NZ-OD2 2.78Å
190E95.4Very high95.4Very high105 Ų10550.4 Ų50.449%0.49124%0.239SC..Hα-helixtrans-69.5-51.8-177-17665.3-16600112.5V186 V187 L227 Y236V186-E190 PolarHBondContact O-N 3.13Å; V187-E190 PolarHBondContact O-N 3.39Å; E190-L227 HydrophobicContact CB-CD1 4.33Å; E190-L227 HydrophobicContact CB-CD2 3.45Å; E190-L227 VanDerWaalsContact CB-CD2 3.45Å; E190-L227 HydrophobicContact CG-CD1 4.1Å; E190-L227 HydrophobicContact CG-CD2 3.77Å; E190-Y236 PolarHBondContact O-OH 3.06Å; E190-Y236 VanDerWaalsContact O-OH 3.12Å
191Y93.4Very high95.4Very high27 Ų2755 Ų5511%0.10626%0.259CS..Hα-helixtrans-95.1-10.7-165.7-66.3-74.4000114.6V187 L227 K231 A234V187-Y191 HydrophobicContact CB-CD2 4.47Å; V187-Y191 HydrophobicContact CG1-CD2 3.69Å; V187-Y191 HydrophobicContact CG1-CE2 4.28Å; V187-Y191 WeakPolarHBondContact O-CB 3.34Å; V187-Y191 WeakPolarHBondContact O-CD2 3.45Å; V187-Y191 PolarHBondContact O-N 3.24Å; Y191-L227 HydrophobicContact CD2-CD2 4.33Å; Y191-L227 HydrophobicContact CE2-CD2 3.78Å; Y191-L227 PolarHBondContact OH-O 3.3Å; Y191-K231 VanDerWaalsContact OH-CA 3.23Å; Y191-K231 WeakPolarHBondContact OH-CA 3.45Å; Y191-K231 PolarHBondContact OH-N 2.93Å; Y191-A234 HydrophobicContact CD1-CB 3.76Å; Y191-A234 WeakPolarHBondContact CD1-O 3.46Å; Y191-A234 HydrophobicContact CD2-CB 3.72Å; Y191-A234 HydrophobicContact CE1-CB 4.19Å; Y191-A234 HydrophobicContact CE2-CB 4.14Å; Y191-A234 HydrophobicContact CG-CB 3.5Å
192R91.6Very high95.3Very high35 Ų3555 Ų5513%0.13226%0.259CS..Hα-helixtrans-132.4-2.5-178.2-63.3-67179.8-95.88.7113.5Y116 I117 C188 F194 K235Y116-R192 HydrophobicContact CE1-CB 4.37Å; Y116-R192 HydrophobicContact CE1-CG 3.91Å; I117-R192 HydrophobicContact CD1-CG 3.65Å; I117-R192 PolarHBondContact O-NH2 2.74Å; C188-R192 CarbonylContact O-C 3.55Å; C188-R192 WeakPolarHBondContact O-CA 3.48Å; C188-R192 WeakPolarHBondContact O-CB 3.47Å; C188-R192 PolarHBondContact O-N 2.61Å; C188-R192 VanDerWaalsContact O-N 3.08Å; R192-F194 HydrophobicContact CB-CB 4.17Å; R192-F194 PolarHBondContact O-N 2.95Å; R192-K235 PolarHBondContact NH1-O 3.16Å; R192-K235 VanDerWaalsContact NH1-O 3.16Å; R192-K235 PolarHBondContact NH2-O 3.24Å
193N92.1Very high95.4Very high122 Ų12254.9 Ų54.965%0.65226%0.258SS*.  trans48.937.5-170.9-168.744.8000112C188 K189C188-N193 PolarHBondContact O-N 2.79Å; K189-N193 WeakPolarHBondContact O-CA 3.28Å; K189-N193 PolarHBondContact O-N 2.89Å
194F92.1Very high95.3Very high24 Ų2456.4 Ų56.411%0.10527%0.268CS..  trans-106122.1179.7173.5-80.8000108.9F132 L133 L136 C188 K189 R192F132-F194 HydrophobicContact CE1-CD1 4.33Å; F132-F194 AromaticContact CE1-CE1 3.79Å; F132-F194 HydrophobicContact CE1-CE1 3.79Å; F132-F194 HydrophobicContact CE1-CZ 4.04Å; F132-F194 HydrophobicContact CZ-CE1 4.45Å; L133-F194 HydrophobicContact CD1-CZ 4.22Å; L136-F194 HydrophobicContact CD1-CE1 4.29Å; L136-F194 HydrophobicContact CD1-CZ 4.25Å; C188-F194 CarbonylContact C-O 3.26Å; C188-F194 HydrophobicContact CB-CB 4.12Å; C188-F194 HydrophobicContact CB-CD1 3.81Å; C188-F194 HydrophobicContact CB-CG 4.39Å; C188-F194 PolarHBondContact O-N 3.44Å; C188-F194 VanDerWaalsContact O-N 3.09Å; K189-F194 PolarHBondContact N-O 2.84Å; R192-F194 HydrophobicContact CB-CB 4.17Å; R192-F194 PolarHBondContact O-N 2.95Å
195D93.4Very high95.4Very high91 Ų9159.2 Ų59.249%0.48728%0.279SS..PPolyproline II helixtrans-101.7148.9167.9-67.4-77.3000109.7K189 P197K189-D195 WeakPolarHBondContact CD-OD1 3.35Å; K189-D195 WeakPolarHBondContact CE-OD1 3.26Å; K189-D195 VanDerWaalsContact NZ-CG 3.26Å; K189-D195 IonicContact NZ-OD1 3.74Å; K189-D195 PolarHBondContact NZ-OD1 3.3Å; K189-D195 VanDerWaalsContact NZ-OD1 3.07Å; K189-D195 IonicContact NZ-OD2 3.21Å; K189-D195 PolarHBondContact NZ-OD2 2.78Å; D195-P197 WeakPolarHBondContact O-CD 3.36Å
196I92Very high95.4Very high28 Ų2854.7 Ų54.714%0.14426%0.259CS..PPolyproline II helixtrans-62122.8170.3-63.6174.8000107.8L136 K198 L200 L203 L207L136-I196 HydrophobicContact CD1-CG1 4.44Å; I196-K198 PolarHBondContact O-N 2.91Å; I196-L200 HydrophobicContact CG2-CD1 4.38Å; I196-L203 HydrophobicContact CG2-CD2 3.59Å; I196-L203 HydrophobicContact CG2-CG 4.13Å; I196-L207 HydrophobicContact CD1-CD1 3.56Å
197P93.3Very high95.5Very high38 Ų3854.6 Ų54.625%0.24726%0.258CS..PPolyproline II helixtrans-61.3132.3-176.1-22.432.2000111.7L133 D195 E199 L200L133-P197 HydrophobicContact CD1-CG 4.06Å; D195-P197 WeakPolarHBondContact O-CD 3.36Å; P197-E199 WeakPolarHBondContact CB-OE2 3.34Å; P197-E199 PolarHBondContact O-N 3.32Å; P197-L200 HydrophobicContact CB-CG 4.33Å; P197-L200 HydrophobicContact CG-CD1 4.47Å; P197-L200 WeakPolarHBondContact O-CB 3.47Å; P197-L200 PolarHBondContact O-N 3.49Å; P197-L200 VanDerWaalsContact O-N 3.11Å
198K93.6Very high95.5Very high176 Ų17658.9 Ų58.977%0.76528%0.281SS*.THydrogen-bonded Turntrans-67.8-17.8-178.7-67.8-174.4177.8-178.10112.7I196 L200I196-K198 PolarHBondContact O-N 2.91Å; K198-L200 PolarHBondContact O-N 3.27Å
199E95.8Very high95.7Very high152 Ų15260.2 Ų60.271%0.7129%0.288SS*.THydrogen-bonded Turntrans-65.8-21.9174.4-59.573.2-16000111.8P197 K201P197-E199 WeakPolarHBondContact CB-OE2 3.34Å; P197-E199 PolarHBondContact O-N 3.32Å; E199-K201 PolarHBondContact O-N 3.3Å
200L97.7Very high95.8Very high22 Ų2255.9 Ų55.912%0.11527%0.269CS..  trans-7773.3170.7-55.3-176.4000109.3L136 V137 S140 I196 P197 K198 G202 L203 T204L136-L200 HydrophobicContact CB-CD1 3.91Å; V137-L200 HydrophobicContact CG2-CD2 3.96Å; S140-L200 WeakPolarHBondContact OG-CA 3.42Å; I196-L200 HydrophobicContact CG2-CD1 4.38Å; P197-L200 HydrophobicContact CB-CG 4.33Å; P197-L200 HydrophobicContact CG-CD1 4.47Å; P197-L200 WeakPolarHBondContact O-CB 3.47Å; P197-L200 PolarHBondContact O-N 3.49Å; P197-L200 VanDerWaalsContact O-N 3.11Å; K198-L200 PolarHBondContact O-N 3.27Å; L200-G202 PolarHBondContact O-N 3.26Å; L200-L203 HydrophobicContact CB-CB 4.05Å; L200-L203 HydrophobicContact CD1-CD2 4.09Å; L200-L203 PolarHBondContact O-N 3.39Å; L200-T204 WeakPolarHBondContact O-CB 3.46Å; L200-T204 PolarHBondContact O-N 3.46Å; L200-T204 PolarHBondContact O-OG1 3.19Å
201K97.3Very high95.9Very high127 Ų12753.5 Ų53.555%0.55226%0.256SS*.Hα-helixtrans-56.9-48-172-66-178.5-175.7174.90112.5E199 L203 T204 R205E199-K201 PolarHBondContact O-N 3.3Å; K201-L203 PolarHBondContact O-N 2.96Å; K201-T204 PolarHBondContact O-N 3.1Å; K201-R205 WeakPolarHBondContact O-CB 3.1Å; K201-R205 PolarHBondContact O-N 3.11Å
202G98.1Very high96.2Very high0 Ų059.2 Ų59.20%028%0.281CS..Hα-helixtrans-60.2-45.8178.500000112.6S140 D144 L200 R205 Y206S140-G202 PolarHBondContact OG-N 3.21Å; D144-G202 WeakPolarHBondContact OD1-CA 3.42Å; D144-G202 PolarHBondContact OD1-N 2.87Å; D144-G202 PolarHBondContact OD2-N 3.24Å; D144-G202 VanDerWaalsContact OD2-N 3.09Å; L200-G202 PolarHBondContact O-N 3.26Å; G202-R205 PolarHBondContact O-N 3.18Å; G202-Y206 WeakPolarHBondContact O-CB 3.34Å; G202-Y206 PolarHBondContact O-N 2.97Å
203L98.4Very high96.5Very high0 Ų060.6 Ų60.60%029%0.289CS..Hα-helixtrans-65.9-39.8177-178.956.2000112.5L136 L139 S140 L143 L181 I196 L200 K201 Y206 L207L136-L203 HydrophobicContact CB-CD2 4.07Å; L136-L203 HydrophobicContact CD2-CD2 4.1Å; L136-L203 HydrophobicContact CG-CD2 4.5Å; L139-L203 HydrophobicContact CD2-CD1 3.75Å; L139-L203 HydrophobicContact CG-CD1 4.41Å; S140-L203 PolarHBondContact OG-N 3.3Å; L143-L203 HydrophobicContact CD1-CB 4.45Å; L143-L203 HydrophobicContact CD1-CD1 4.46Å; L181-L203 HydrophobicContact CD1-CD1 4.19Å; I196-L203 HydrophobicContact CG2-CD2 3.59Å; I196-L203 HydrophobicContact CG2-CG 4.13Å; L200-L203 HydrophobicContact CB-CB 4.05Å; L200-L203 HydrophobicContact CD1-CD2 4.09Å; L200-L203 PolarHBondContact O-N 3.39Å; K201-L203 PolarHBondContact O-N 2.96Å; L203-Y206 HydrophobicContact CD1-CD1 4.26Å; L203-Y206 PolarHBondContact O-N 2.68Å; L203-L207 HydrophobicContact CD1-CD1 4.12Å; L203-L207 HydrophobicContact CD1-CG 4.13Å; L203-L207 HydrophobicContact CG-CD1 4.23Å; L203-L207 WeakPolarHBondContact O-CG 3.29Å; L203-L207 PolarHBondContact O-N 3.35Å
204T97.9Very high96.7Very high36 Ų3659.3 Ų59.322%0.22128%0.279CS..Hα-helixtrans-62.8-49.4176.6-56.90000110.4L200 K201 Y206 L207 D208L200-T204 WeakPolarHBondContact O-CB 3.46Å; L200-T204 PolarHBondContact O-N 3.46Å; L200-T204 PolarHBondContact O-OG1 3.19Å; K201-T204 PolarHBondContact O-N 3.1Å; T204-Y206 VanDerWaalsContact C-N 3.3Å; T204-Y206 PolarHBondContact O-N 3.49Å; T204-L207 PolarHBondContact O-N 3.27Å; T204-D208 WeakPolarHBondContact O-CB 3.42Å; T204-D208 VanDerWaalsContact O-CG 3.25Å; T204-D208 PolarHBondContact O-N 3.38Å
205R98.4Very high97Very high58 Ų5860.2 Ų60.222%0.21928%0.284CS..Hα-helixtrans-55.5-45174.6177.717565.4-104-2111.6L143 D144 S160 R162 K201 G202 N209L143-R205 PolarHBondContact O-NH2 3.02Å; D144-R205 IonicContact OD1-CZ 2.66Å; D144-R205 IonicContact OD1-NH1 3.07Å; D144-R205 PolarHBondContact OD1-NH1 3.43Å; D144-R205 IonicContact OD1-NH2 2.67Å; D144-R205 PolarHBondContact OD1-NH2 2.93Å; S160-R205 PolarHBondContact O-NH2 3.11Å; R162-R205 PolarHBondContact O-NE 3.38Å; K201-R205 WeakPolarHBondContact O-CB 3.1Å; K201-R205 PolarHBondContact O-N 3.11Å; G202-R205 PolarHBondContact O-N 3.18Å; R205-N209 WeakPolarHBondContact O-CB 3.34Å; R205-N209 PolarHBondContact O-N 2.85Å; R205-N209 VanDerWaalsContact O-N 3.1Å; R205-N209 PolarHBondContact O-ND2 3.45Å
206Y98.8Very high97.2Very high1 Ų155.9 Ų55.90%0.00426%0.261CS..Hα-helixtrans-61.4-50.5-179.9176.6-128.3000112.4L143 Y164 L165 D174 L177 L178 L181 G202 L203 T204 N209 A210L143-Y206 HydrophobicContact CD1-CD1 4.09Å; L143-Y206 HydrophobicContact CD1-CG 4.04Å; L143-Y206 HydrophobicContact CD2-CD2 4.35Å; L143-Y206 HydrophobicContact CD2-CG 4.21Å; Y164-Y206 HydrophobicContact CD1-CD2 4.03Å; Y164-Y206 AromaticContact CD1-CE2 3.92Å; Y164-Y206 HydrophobicContact CD1-CE2 3.92Å; Y164-Y206 HydrophobicContact CG-CE2 4.5Å; L165-Y206 HydrophobicContact CG-CE2 4.27Å; D174-Y206 WeakPolarHBondContact OD1-CE2 3.26Å; D174-Y206 PolarHBondContact OD1-OH 3.37Å; L177-Y206 HydrophobicContact CD2-CE1 4.4Å; L178-Y206 HydrophobicContact CD2-CD1 4.24Å; L178-Y206 HydrophobicContact CD2-CE1 3.51Å; L178-Y206 HydrophobicContact CD2-CE2 4.14Å; L178-Y206 VanDerWaalsContact CD2-CZ 3.48Å; L178-Y206 HydrophobicContact CG-CE1 4.19Å; L178-Y206 WeakPolarHBondContact CG-OH 3.34Å; L181-Y206 HydrophobicContact CD1-CD1 4.14Å; L181-Y206 HydrophobicContact CD1-CE1 3.76Å; G202-Y206 WeakPolarHBondContact O-CB 3.34Å; G202-Y206 PolarHBondContact O-N 2.97Å; L203-Y206 HydrophobicContact CD1-CD1 4.26Å; L203-Y206 PolarHBondContact O-N 2.68Å; T204-Y206 VanDerWaalsContact C-N 3.3Å; T204-Y206 PolarHBondContact O-N 3.49Å; Y206-N209 PolarHBondContact O-N 3.5Å; Y206-A210 WeakPolarHBondContact O-CB 3.5Å; Y206-A210 PolarHBondContact O-N 2.73Å
207L98.3Very high97.5Very high12 Ų1259.9 Ų59.96%0.06327%0.274CS..Hα-helixtrans-65.4-45.6179.6-69.1175.4000111.5L178 L181 I196 L203 T204 N209 A210 Y211L178-L207 HydrophobicContact CD2-CD2 4.34Å; L181-L207 HydrophobicContact CB-CD2 4.05Å; L181-L207 HydrophobicContact CD1-CD2 4.05Å; I196-L207 HydrophobicContact CD1-CD1 3.56Å; L203-L207 HydrophobicContact CD1-CD1 4.12Å; L203-L207 HydrophobicContact CD1-CG 4.13Å; L203-L207 HydrophobicContact CG-CD1 4.23Å; L203-L207 WeakPolarHBondContact O-CG 3.29Å; L203-L207 PolarHBondContact O-N 3.35Å; T204-L207 PolarHBondContact O-N 3.27Å; L207-N209 VanDerWaalsContact C-N 3.26Å; L207-N209 PolarHBondContact O-N 2.7Å; L207-A210 PolarHBondContact O-N 3.02Å; L207-A210 VanDerWaalsContact O-N 3.1Å; L207-Y211 HydrophobicContact CB-CD2 4.43Å; L207-Y211 HydrophobicContact CB-CE2 4.28Å; L207-Y211 HydrophobicContact CD2-CE2 4.47Å; L207-Y211 WeakPolarHBondContact O-CD2 3.38Å; L207-Y211 PolarHBondContact O-N 2.89Å
208D98.1Very high97.6Very high90 Ų9063.5 Ų63.548%0.48128%0.284SS..Hα-helixtrans-60-37-179.4-74.5-11.5000112.2T204 K212T204-D208 WeakPolarHBondContact O-CB 3.42Å; T204-D208 VanDerWaalsContact O-CG 3.25Å; T204-D208 PolarHBondContact O-N 3.38Å; D208-K212 WeakPolarHBondContact O-CD 3.39Å; D208-K212 WeakPolarHBondContact O-CE 3.28Å; D208-K212 WeakPolarHBondContact O-CG 3.47Å
209N98.6Very high97.8Very high29 Ų2955.1 Ų55.116%0.15525%0.247CC..Hα-helixtrans-74.2-40.2173.9-73.4-54.6000112.1Y164 R205 Y206 L207 Y211 K212 Q213Y164-N209 HydrophobicContact CE1-CB 3.93Å; R205-N209 WeakPolarHBondContact O-CB 3.34Å; R205-N209 PolarHBondContact O-N 2.85Å; R205-N209 VanDerWaalsContact O-N 3.1Å; R205-N209 PolarHBondContact O-ND2 3.45Å; Y206-N209 PolarHBondContact O-N 3.5Å; L207-N209 VanDerWaalsContact C-N 3.26Å; L207-N209 PolarHBondContact O-N 2.7Å; N209-Y211 PolarHBondContact O-N 3.19Å; N209-K212 WeakPolarHBondContact O-CB 3.46Å; N209-K212 PolarHBondContact O-N 3.08Å; N209-K212 VanDerWaalsContact O-N 3.14Å; N209-Q213 PolarHBondContact O-N 2.79Å
210A98.5Very high97.8Very high0 Ų049.2 Ų49.20%022%0.222CC..Hα-helixtrans-60-43.8177.400000112.4F170 L178 Y206 L207 K212 Q213 F216F170-A210 HydrophobicContact CE1-CB 4.36Å; F170-A210 HydrophobicContact CZ-CB 4.2Å; L178-A210 HydrophobicContact CD1-CB 3.85Å; L178-A210 HydrophobicContact CD2-CB 3.48Å; L178-A210 VanDerWaalsContact CD2-CB 3.48Å; L178-A210 HydrophobicContact CG-CB 4.32Å; Y206-A210 WeakPolarHBondContact O-CB 3.5Å; Y206-A210 PolarHBondContact O-N 2.73Å; L207-A210 PolarHBondContact O-N 3.02Å; L207-A210 VanDerWaalsContact O-N 3.1Å; A210-K212 PolarHBondContact O-N 2.73Å; A210-Q213 WeakPolarHBondContact O-CB 3.33Å; A210-Q213 PolarHBondContact O-N 2.89Å; A210-F216 HydrophobicContact CB-CD1 4Å; A210-F216 HydrophobicContact CB-CE1 4.28Å; A210-F216 WeakPolarHBondContact O-CD1 3.46Å
211Y97.6Very high97.7Very high56 Ų5648.6 Ų48.622%0.2222%0.22CC..THydrogen-bonded Turntrans-66-16.8178.2-77.6-73.8000114.2N182 K185 L207 N209 F216N182-Y211 PolarHBondContact OD1-OH 3.32Å; K185-Y211 HydrophobicContact CD-CE2 4.22Å; K185-Y211 VanDerWaalsContact CD-OH 3.26Å; K185-Y211 WeakPolarHBondContact CD-OH 3.41Å; L207-Y211 HydrophobicContact CB-CD2 4.43Å; L207-Y211 HydrophobicContact CB-CE2 4.28Å; L207-Y211 HydrophobicContact CD2-CE2 4.47Å; L207-Y211 WeakPolarHBondContact O-CD2 3.38Å; L207-Y211 PolarHBondContact O-N 2.89Å; N209-Y211 PolarHBondContact O-N 3.19Å; Y211-F216 HydrophobicContact CD1-CD1 4.27Å; Y211-F216 AromaticContact CD1-CE1 3.72Å; Y211-F216 HydrophobicContact CD1-CE1 3.72Å; Y211-F216 HydrophobicContact CD2-CE1 4.34Å; Y211-F216 AromaticContact CE1-CE1 3.63Å; Y211-F216 HydrophobicContact CE1-CE1 3.63Å; Y211-F216 HydrophobicContact CE1-CZ 4.28Å; Y211-F216 HydrophobicContact CE2-CE1 4.21Å; Y211-F216 HydrophobicContact CG-CE1 4.07Å; Y211-F216 AromaticContact CZ-CE1 3.85Å
212K98Very high97.6Very high146 Ų14647.3 Ų47.364%0.63522%0.219SC*.THydrogen-bonded Turntrans-81.6-19.4172.3-64.6167.1-167168.10112.4D208 N209 A210D208-K212 WeakPolarHBondContact O-CD 3.39Å; D208-K212 WeakPolarHBondContact O-CE 3.28Å; D208-K212 WeakPolarHBondContact O-CG 3.47Å; N209-K212 WeakPolarHBondContact O-CB 3.46Å; N209-K212 PolarHBondContact O-N 3.08Å; N209-K212 VanDerWaalsContact O-N 3.14Å; A210-K212 PolarHBondContact O-N 2.73Å
213Q98.3Very high97.5Very high64 Ų6451.7 Ų51.730%0.29924%0.242SC..  trans-81.8129.2179.8-62.6-56.9-42.600111.2Y164 F170 N209 A210 Q215 F216 R217Y164-Q213 VanDerWaalsContact OH-CD 3.24Å; Y164-Q213 WeakPolarHBondContact OH-CG 3.29Å; Y164-Q213 PolarHBondContact OH-NE2 3.44Å; F170-Q213 HydrophobicContact CE1-CG 4.39Å; F170-Q213 HydrophobicContact CE2-CB 3.52Å; F170-Q213 HydrophobicContact CE2-CG 3.71Å; F170-Q213 HydrophobicContact CZ-CB 3.69Å; F170-Q213 HydrophobicContact CZ-CG 3.6Å; N209-Q213 PolarHBondContact O-N 2.79Å; A210-Q213 WeakPolarHBondContact O-CB 3.33Å; A210-Q213 PolarHBondContact O-N 2.89Å; Q213-Q215 VanDerWaalsContact C-N 3.3Å; Q213-Q215 PolarHBondContact O-N 3.45Å; Q213-F216 PolarHBondContact O-N 3.22Å; Q213-R217 WeakPolarHBondContact O-CB 3.45Å; Q213-R217 PolarHBondContact O-N 2.66Å
214E97.8Very high97.3Very high95 Ų9555.1 Ų55.144%0.44427%0.266SS..Hα-helixtrans-63.3-37.7179.2-63.8-165.1136.600112.1F216 R217 Y218E214-F216 PolarHBondContact O-N 3.36Å; E214-R217 PolarHBondContact O-N 2.87Å; E214-Y218 HydrophobicContact CB-CD2 3.69Å; E214-Y218 HydrophobicContact CB-CE2 3.77Å; E214-Y218 HydrophobicContact CG-CD2 4.23Å; E214-Y218 HydrophobicContact CG-CE2 3.78Å; E214-Y218 WeakPolarHBondContact O-CB 3.42Å; E214-Y218 PolarHBondContact O-N 3.23Å; E214-Y218 WeakPolarHBondContact OE1-CE2 3.42Å
215Q97.5Very high97.1Very high43 Ų4354.2 Ų54.220%0.20126%0.26CS..Hα-helixtrans-60.8-31.2180-57.384.1-7.400111.8M31 W34 L35 F170 Q213 T219M31-Q215 WeakPolarHBondContact CG-O 3.38Å; W34-Q215 HydrophobicContact CB-CG 4.42Å; W34-Q215 HydrophobicContact CD2-CG 4.45Å; W34-Q215 HydrophobicContact CG-CB 4.39Å; W34-Q215 HydrophobicContact CG-CG 3.95Å; L35-Q215 HydrophobicContact CD2-CB 4.32Å; L35-Q215 HydrophobicContact CD2-CG 3.83Å; L35-Q215 HydrophobicContact CG-CB 4.36Å; L35-Q215 HydrophobicContact CG-CG 4.17Å; F170-Q215 HydrophobicContact CE2-CB 4.46Å; Q213-Q215 VanDerWaalsContact C-N 3.3Å; Q213-Q215 PolarHBondContact O-N 3.45Å; Q215-T219 WeakPolarHBondContact O-CB 3.43Å; Q215-T219 WeakPolarHBondContact O-CG2 3.28Å; Q215-T219 PolarHBondContact O-OG1 3.41Å
216F98.4Very high97Very high0 Ų051.5 Ų51.50%025%0.249CC..Hα-helixtrans-87.5-50.9173.6176.3-117000111.4Q27 M31 F170 L178 N182 A210 Y211 Q213 E214 Y218 T219 C220Q27-F216 PolarHBondContact NE2-O 2.89Å; M31-F216 HydrophobicContact CE-CB 3.99Å; M31-F216 HydrophobicContact CE-CD2 4.05Å; M31-F216 HydrophobicContact CE-CG 4.48Å; M31-F216 HydrophobicContact SD-CD2 3.99Å; F170-F216 HydrophobicContact CE2-CB 4.21Å; F170-F216 HydrophobicContact CZ-CB 4.19Å; L178-F216 HydrophobicContact CB-CD2 3.78Å; L178-F216 HydrophobicContact CB-CE2 3.56Å; L178-F216 HydrophobicContact CB-CZ 4.2Å; L178-F216 HydrophobicContact CD1-CD2 4.33Å; L178-F216 HydrophobicContact CD1-CG 4.49Å; N182-F216 HydrophobicContact CB-CE2 4.38Å; N182-F216 HydrophobicContact CB-CZ 3.96Å; A210-F216 HydrophobicContact CB-CD1 4Å; A210-F216 HydrophobicContact CB-CE1 4.28Å; A210-F216 WeakPolarHBondContact O-CD1 3.46Å; Y211-F216 HydrophobicContact CD1-CD1 4.27Å; Y211-F216 AromaticContact CD1-CE1 3.72Å; Y211-F216 HydrophobicContact CD1-CE1 3.72Å; Y211-F216 HydrophobicContact CD2-CE1 4.34Å; Y211-F216 AromaticContact CE1-CE1 3.63Å; Y211-F216 HydrophobicContact CE1-CE1 3.63Å; Y211-F216 HydrophobicContact CE1-CZ 4.28Å; Y211-F216 HydrophobicContact CE2-CE1 4.21Å; Y211-F216 HydrophobicContact CG-CE1 4.07Å; Y211-F216 AromaticContact CZ-CE1 3.85Å; Q213-F216 PolarHBondContact O-N 3.22Å; E214-F216 PolarHBondContact O-N 3.36Å; F216-Y218 PolarHBondContact O-N 3.07Å; F216-T219 PolarHBondContact O-N 3.28Å; F216-T219 PolarHBondContact O-OG1 2.8Å; F216-C220 PolarHBondContact O-N 3.23Å; F216-C220 VanDerWaalsContact O-N 3.15Å; F216-C220 PolarHBondContact O-SG 3.4Å
217R97.3Very high96.9Very high112 Ų11253.1 Ų53.142%0.42326%0.258SS..Hα-helixtrans-61.3-42.7-173.5-177.3171.860.994.40.8113.3Q213 E214 T219Q213-R217 WeakPolarHBondContact O-CB 3.45Å; Q213-R217 PolarHBondContact O-N 2.66Å; E214-R217 PolarHBondContact O-N 2.87Å; R217-T219 VanDerWaalsContact C-N 3.34Å
218Y96.4Very high96.6Very high115 Ų11556.9 Ų56.945%0.45128%0.277SS..THydrogen-bonded Turntrans-83.5-9.8-178-65.1-41.5000113.9W34 E214 F216W34-Y218 AromaticContact CH2-CD2 3.65Å; W34-Y218 HydrophobicContact CH2-CD2 3.65Å; W34-Y218 HydrophobicContact CH2-CG 4.05Å; W34-Y218 HydrophobicContact CZ2-CD2 4.08Å; E214-Y218 HydrophobicContact CB-CD2 3.69Å; E214-Y218 HydrophobicContact CB-CE2 3.77Å; E214-Y218 HydrophobicContact CG-CD2 4.23Å; E214-Y218 HydrophobicContact CG-CE2 3.78Å; E214-Y218 WeakPolarHBondContact O-CB 3.42Å; E214-Y218 PolarHBondContact O-N 3.23Å; E214-Y218 WeakPolarHBondContact OE1-CE2 3.42Å; F216-Y218 PolarHBondContact O-N 3.07Å
219T96.8Very high96.3Very high0 Ų054.4 Ų54.40%027%0.269CS..THydrogen-bonded Turntrans-96.4-11.5173.362.40000112.4Q27 F30 M31 W34 Q215 F216 R217Q27-T219 WeakPolarHBondContact CG-O 3.36Å; Q27-T219 PolarHBondContact NE2-OG1 3.19Å; F30-T219 HydrophobicContact CB-CG2 4.14Å; F30-T219 HydrophobicContact CD1-CG2 3.67Å; F30-T219 HydrophobicContact CD2-CG2 3.75Å; F30-T219 HydrophobicContact CE1-CG2 3.91Å; F30-T219 HydrophobicContact CE2-CG2 3.96Å; F30-T219 HydrophobicContact CG-CG2 3.58Å; F30-T219 HydrophobicContact CZ-CG2 4.04Å; M31-T219 HydrophobicContact CG-CG2 4.21Å; M31-T219 VanDerWaalsContact CG-OG1 3.28Å; M31-T219 WeakPolarHBondContact CG-OG1 3.34Å; W34-T219 HydrophobicContact CE3-CG2 3.64Å; W34-T219 HydrophobicContact CZ3-CG2 3.97Å; Q215-T219 WeakPolarHBondContact O-CB 3.43Å; Q215-T219 WeakPolarHBondContact O-CG2 3.28Å; Q215-T219 PolarHBondContact O-OG1 3.41Å; F216-T219 PolarHBondContact O-N 3.28Å; F216-T219 PolarHBondContact O-OG1 2.8Å; R217-T219 VanDerWaalsContact C-N 3.34Å
220C96.6Very high96.1Very high28 Ų2854 Ų5419%0.18927%0.265CS..SBendtrans-65.5136173.5-77.20000111Q27 F216Q27-C220 PolarHBondContact NE2-SG 3.11Å; F216-C220 PolarHBondContact O-N 3.23Å; F216-C220 VanDerWaalsContact O-N 3.15Å; F216-C220 PolarHBondContact O-SG 3.4Å
221P95.4Very high95.9Very high9 Ų961.3 Ų61.36%0.05830%0.297CS..PPolyproline II helixtrans-68.4162.7164.732.4-35.1000110.1V20 E225 I226V20-P221 WeakPolarHBondContact O-CB 3.37Å; P221-E225 HydrophobicContact CB-CG 4.44Å; P221-I226 HydrophobicContact CG-CD1 3.98Å; P221-I226 HydrophobicContact CG-CG1 3.76Å
222N94.6Very high95.5Very high100 Ų10062.8 Ų62.854%0.53532%0.316SS..PPolyproline II helixtrans-61.4143.5172-69.6-41.2000111.1S224 E225 I226N222-S224 PolarHBondContact O-N 2.87Å; N222-E225 WeakPolarHBondContact O-CB 3.35Å; N222-E225 PolarHBondContact O-N 3.29Å; N222-I226 PolarHBondContact O-N 3.25Å
223D95.8Very high95.3Very high92 Ų9258.4 Ų58.449%0.49230%0.301SS..Hα-helixtrans-56.2-39179.4-74.64.9000112.2V186 E225 I226 L227V186-D223 HydrophobicContact CG1-CB 4.01Å; V186-D223 HydrophobicContact CG2-CB 4.46Å; V186-D223 WeakPolarHBondContact CG2-OD1 3.32Å; D223-E225 VanDerWaalsContact C-N 3.29Å; D223-E225 PolarHBondContact O-N 2.86Å; D223-I226 WeakPolarHBondContact O-CB 3.45Å; D223-I226 PolarHBondContact O-N 3Å; D223-I226 VanDerWaalsContact O-N 3.15Å; D223-L227 WeakPolarHBondContact O-CG 3.41Å; D223-L227 PolarHBondContact O-N 3.41Å
224S94.4Very high94.8Very high72 Ų7255.4 Ų55.450%0.50329%0.288SS..Hα-helixtrans-56.8-40.5176.753.20000112.9N222 L227 I228N222-S224 PolarHBondContact O-N 2.87Å; S224-L227 PolarHBondContact O-N 3.46Å; S224-I228 WeakPolarHBondContact O-CB 3.31Å; S224-I228 WeakPolarHBondContact O-CD1 3.49Å; S224-I228 WeakPolarHBondContact O-CG1 3.38Å; S224-I228 PolarHBondContact O-N 2.88Å
225E94.4Very high93.9Very high17 Ų1757.9 Ų57.98%0.07930%0.297CS..Hα-helixtrans-67.8-39.9178171.458.1-156.100111.3S14 D15 N22 P221 N222 D223 L227 A229S14-E225 WeakPolarHBondContact CB-OE2 3.39Å; D15-E225 PolarHBondContact N-OE2 3.34Å; N22-E225 HydrophobicContact CB-CG 4.18Å; N22-E225 PolarHBondContact N-OE1 3.12Å; P221-E225 HydrophobicContact CB-CG 4.44Å; N222-E225 WeakPolarHBondContact O-CB 3.35Å; N222-E225 PolarHBondContact O-N 3.29Å; D223-E225 VanDerWaalsContact C-N 3.29Å; D223-E225 PolarHBondContact O-N 2.86Å; E225-L227 VanDerWaalsContact C-N 3.35Å; E225-A229 WeakPolarHBondContact O-CB 3.4Å; E225-A229 PolarHBondContact O-N 3.18Å; E225-A229 VanDerWaalsContact O-N 3.09Å
226I95.9Very high92.5Very high0 Ų062.8 Ų62.80%032%0.315CS..Hα-helixtrans-61-47172.9-57.9174.4000109.9N182 I183 V186 V187 P221 N222 D223 A229 Y230N182-I226 WeakPolarHBondContact ND2-CD1 3.29Å; I183-I226 HydrophobicContact CB-CG2 4.38Å; I183-I226 HydrophobicContact CG1-CG2 4.24Å; I183-I226 HydrophobicContact CG2-CG2 4.13Å; V186-I226 HydrophobicContact CB-CD1 4.33Å; V186-I226 HydrophobicContact CB-CG2 4.25Å; V186-I226 HydrophobicContact CG1-CB 4.08Å; V186-I226 HydrophobicContact CG1-CD1 4.43Å; V186-I226 HydrophobicContact CG1-CG2 4.05Å; V186-I226 HydrophobicContact CG2-CD1 4.13Å; V187-I226 HydrophobicContact CG2-CG2 3.56Å; P221-I226 HydrophobicContact CG-CD1 3.98Å; P221-I226 HydrophobicContact CG-CG1 3.76Å; N222-I226 PolarHBondContact O-N 3.25Å; D223-I226 WeakPolarHBondContact O-CB 3.45Å; D223-I226 PolarHBondContact O-N 3Å; D223-I226 VanDerWaalsContact O-N 3.15Å; I226-A229 PolarHBondContact O-N 3.38Å; I226-Y230 HydrophobicContact CG2-CD2 4.47Å; I226-Y230 WeakPolarHBondContact O-CD2 3.32Å; I226-Y230 PolarHBondContact O-N 3.42Å
227L95.4Very high90.9Very high35 Ų3564.6 Ų64.618%0.18332%0.324CS..Hα-helixtrans-64.3-44.5-178.6-65.7179.5000112.2V186 E190 Y191 D223 S224 E225 A229 Y230 K231V186-L227 HydrophobicContact CG1-CD2 3.68Å; V186-L227 HydrophobicContact CG1-CG 3.87Å; E190-L227 HydrophobicContact CB-CD1 4.33Å; E190-L227 HydrophobicContact CB-CD2 3.45Å; E190-L227 VanDerWaalsContact CB-CD2 3.45Å; E190-L227 HydrophobicContact CG-CD1 4.1Å; E190-L227 HydrophobicContact CG-CD2 3.77Å; Y191-L227 HydrophobicContact CD2-CD2 4.33Å; Y191-L227 HydrophobicContact CE2-CD2 3.78Å; Y191-L227 PolarHBondContact OH-O 3.3Å; D223-L227 WeakPolarHBondContact O-CG 3.41Å; D223-L227 PolarHBondContact O-N 3.41Å; S224-L227 PolarHBondContact O-N 3.46Å; E225-L227 VanDerWaalsContact C-N 3.35Å; L227-A229 VanDerWaalsContact C-N 3.31Å; L227-A229 PolarHBondContact O-N 3.21Å; L227-Y230 PolarHBondContact O-N 3.32Å; L227-Y230 VanDerWaalsContact O-N 3.15Å; L227-K231 PolarHBondContact O-N 3.16Å
228I92.9Very high88.9Confident92 Ų9265 Ų6547%0.47234%0.339SS..Hα-helixtrans-57.9-45.3176.8-71.8163.5000110.4S224 Y230 K231S224-I228 WeakPolarHBondContact O-CB 3.31Å; S224-I228 WeakPolarHBondContact O-CD1 3.49Å; S224-I228 WeakPolarHBondContact O-CG1 3.38Å; S224-I228 PolarHBondContact O-N 2.88Å; I228-Y230 PolarHBondContact O-N 3.09Å; I228-K231 WeakPolarHBondContact O-CB 3.18Å; I228-K231 PolarHBondContact O-N 3.42Å
229A92.4Very high86.5Confident38 Ų3872.7 Ų72.731%0.31438%0.375SS..Hα-helixtrans-63-25.2-179.800000113.8N22 E225 I226 L227N22-A229 HydrophobicContact CB-CB 3.85Å; N22-A229 WeakPolarHBondContact ND2-CB 2.99Å; E225-A229 WeakPolarHBondContact O-CB 3.4Å; E225-A229 PolarHBondContact O-N 3.18Å; E225-A229 VanDerWaalsContact O-N 3.09Å; I226-A229 PolarHBondContact O-N 3.38Å; L227-A229 VanDerWaalsContact C-N 3.31Å; L227-A229 PolarHBondContact O-N 3.21Å
230Y94.6Very high85.9Confident19 Ų1976.3 Ų76.38%0.07539%0.394CS..Hα-helixtrans-99-10.7178.8-82.7-99.1000114.3F110 F113 I117 I183 V187 I226 L227 I228 S232 V233 A234F110-Y230 WeakPolarHBondContact CZ-OH 3.48Å; F113-Y230 AromaticContact CE1-CE1 3.86Å; F113-Y230 HydrophobicContact CE1-CE1 3.86Å; F113-Y230 AromaticContact CZ-CE1 3.93Å; F113-Y230 HydrophobicContact CZ-CE1 3.93Å; I117-Y230 HydrophobicContact CG2-CD1 4.42Å; I117-Y230 HydrophobicContact CG2-CE1 4.25Å; I183-Y230 HydrophobicContact CG2-CD2 4.41Å; I183-Y230 HydrophobicContact CG2-CE2 3.51Å; I183-Y230 WeakPolarHBondContact CG2-OH 3.25Å; V187-Y230 HydrophobicContact CG1-CD1 3.79Å; V187-Y230 HydrophobicContact CG1-CE1 4.47Å; V187-Y230 HydrophobicContact CG1-CG 3.89Å; V187-Y230 HydrophobicContact CG2-CD1 4.21Å; V187-Y230 HydrophobicContact CG2-CD2 3.67Å; V187-Y230 HydrophobicContact CG2-CE2 4.12Å; V187-Y230 HydrophobicContact CG2-CG 3.71Å; I226-Y230 HydrophobicContact CG2-CD2 4.47Å; I226-Y230 WeakPolarHBondContact O-CD2 3.32Å; I226-Y230 PolarHBondContact O-N 3.42Å; L227-Y230 PolarHBondContact O-N 3.32Å; L227-Y230 VanDerWaalsContact O-N 3.15Å; I228-Y230 PolarHBondContact O-N 3.09Å; Y230-S232 VanDerWaalsContact C-N 3.29Å; Y230-S232 PolarHBondContact O-N 2.94Å; Y230-S232 VanDerWaalsContact O-N 3.14Å; Y230-V233 HydrophobicContact CD1-CG2 3.96Å; Y230-V233 HydrophobicContact CG-CG2 4.47Å; Y230-V233 VanDerWaalsContact O-CG2 3.3Å; Y230-V233 WeakPolarHBondContact O-CG2 3.2Å; Y230-V233 PolarHBondContact O-N 2.87Å; Y230-A234 VanDerWaalsContact O-CB 3.3Å; Y230-A234 WeakPolarHBondContact O-CB 3.31Å; Y230-A234 PolarHBondContact O-N 2.98Å
231K92.7Very high85.4Confident154 Ų15478.8 Ų78.867%0.6740%0.404SS*.THydrogen-bonded Turntrans-51.8-40.8-174.3-174177.1-179.4176.50114.6Y191 L227 I228Y191-K231 VanDerWaalsContact OH-CA 3.23Å; Y191-K231 WeakPolarHBondContact OH-CA 3.45Å; Y191-K231 PolarHBondContact OH-N 2.93Å; L227-K231 PolarHBondContact O-N 3.16Å; I228-K231 WeakPolarHBondContact O-CB 3.18Å; I228-K231 PolarHBondContact O-N 3.42Å
232S90.8Very high84.8Confident88 Ų8882.7 Ų82.762%0.61542%0.424SS*.THydrogen-bonded Turntrans-76.8-25.1-177.260.70000113.8Y230Y230-S232 VanDerWaalsContact C-N 3.29Å; Y230-S232 PolarHBondContact O-N 2.94Å; Y230-S232 VanDerWaalsContact O-N 3.14Å
233V92.2Very high84.3Confident53 Ų5381.7 Ų81.732%0.32142%0.417SS..THydrogen-bonded Turntrans-105.6-26-172.8-61.60000112.9K118 Y230 K235K118-V233 HydrophobicContact CD-CB 4.32Å; K118-V233 HydrophobicContact CG-CB 4.04Å; K118-V233 HydrophobicContact CG-CG2 4.21Å; Y230-V233 HydrophobicContact CD1-CG2 3.96Å; Y230-V233 HydrophobicContact CG-CG2 4.47Å; Y230-V233 VanDerWaalsContact O-CG2 3.3Å; Y230-V233 WeakPolarHBondContact O-CG2 3.2Å; Y230-V233 PolarHBondContact O-N 2.87Å; V233-K235 PolarHBondContact O-N 3.46Å; V233-K235 VanDerWaalsContact O-N 3.14Å
234A89.4Confident83.5Confident2 Ų281.1 Ų81.12%0.01741%0.412CS..SBendtrans-88.148.3-18000000112I117 Y191 Y230 Y236I117-A234 HydrophobicContact CD1-CB 4.21Å; I117-A234 HydrophobicContact CG1-CB 3.92Å; Y191-A234 HydrophobicContact CD1-CB 3.76Å; Y191-A234 WeakPolarHBondContact CD1-O 3.46Å; Y191-A234 HydrophobicContact CD2-CB 3.72Å; Y191-A234 HydrophobicContact CE1-CB 4.19Å; Y191-A234 HydrophobicContact CE2-CB 4.14Å; Y191-A234 HydrophobicContact CG-CB 3.5Å; Y230-A234 VanDerWaalsContact O-CB 3.3Å; Y230-A234 WeakPolarHBondContact O-CB 3.31Å; Y230-A234 PolarHBondContact O-N 2.98Å; A234-Y236 PolarHBondContact O-N 2.84Å
235K79Confident82.8Confident146 Ų14681.7 Ų81.764%0.63541%0.406SS*.  trans-58.7137.7-179.2-65.8-176.7-179.9-179.60110.3R192 V233R192-K235 PolarHBondContact NH1-O 3.16Å; R192-K235 VanDerWaalsContact NH1-O 3.16Å; R192-K235 PolarHBondContact NH2-O 3.24Å; V233-K235 PolarHBondContact O-N 3.46Å; V233-K235 VanDerWaalsContact O-N 3.14Å
236Y66.9Low82Confident146 Ų14686.3 Ų86.357%0.57343%0.43SS*.  trans-66.9133.5175.5-105.7-92.5000109.8E190 A234 T238E190-Y236 PolarHBondContact O-OH 3.06Å; E190-Y236 VanDerWaalsContact O-OH 3.12Å; A234-Y236 PolarHBondContact O-N 2.84Å; Y236-T238 VanDerWaalsContact C-N 3.31Å; Y236-T238 PolarHBondContact O-N 3.06Å; Y236-T238 VanDerWaalsContact O-N 3.08Å
237L64.7Low80.9Confident39 Ų3992.9 Ų92.920%0.20446%0.463CS..  trans-77.486.9167.6-61.5172000106.7N119 P120 P122 N125 K239N119-L237 WeakPolarHBondContact O-CD2 3.15Å; P120-L237 VanDerWaalsContact C-CD2 3.48Å; P120-L237 WeakPolarHBondContact O-CD2 3.18Å; P122-L237 HydrophobicContact CG-CB 4.49Å; P122-L237 HydrophobicContact CG-CD2 4.13Å; N125-L237 HydrophobicContact CB-CD1 3.65Å; N125-L237 VanDerWaalsContact CG-CD1 3.42Å; N125-L237 WeakPolarHBondContact OD1-CD1 3.18Å; L237-K239 PolarHBondContact O-N 3.35Å
238T55.3Low79.7Confident121 Ų12197.8 Ų97.874%0.74249%0.486SS*.  trans-62124.4165.136.90000107.8Y236Y236-T238 VanDerWaalsContact C-N 3.31Å; Y236-T238 PolarHBondContact O-N 3.06Å; Y236-T238 VanDerWaalsContact O-N 3.08Å
239K45.7Very low78.5Confident275 Ų27598.3 Ų98.3100%1.19649%0.487SS*.  trans-56.50168.3-82.1-176.2176178.80110.8L237L237-K239 PolarHBondContact O-N 3.35Å

Retrieved 239 of 239 residues in 85.1 ms (Link to these results)

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