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Isoform g of cAMP-dependent protein kinase catalytic subunit AlphaSync

Canonical isoform description: Essential for larval development1. Controls the rhythmic contraction of enteric muscles probably by regulating G-protein coupled receptor aex-2-mediated calcium influx in GABAergic DVB neurons2. Plays a role in the control of oocyte meiotic maturation by gonadal sheath cells3. Isoforms a and b: May play a role in the regulation of neuromuscular junctions.

AlphaFold DB , UniProt , Accession P21137-7 (canonical: P21137), Species CAEEL (Caenorhabditis elegans), Gene kin-1, Length 343 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
1M48.2Very low69.8Low182 Ų18296.8 Ų96.890%0.89752%0.52SS*.  0-46.40-99.7179.1-100.700113.1S3 M4 V5M1-S3 PolarHBondContact O-N 3.25Å; M1-M4 PolarHBondContact O-N 2.92Å; M1-V5 PolarHBondContact O-N 3.33Å
2G52.9Low71.6Confident62 Ų6290.4 Ų90.464%0.63949%0.486SS*.Hα-helixtrans-58.4-40-178.400000116.1F6G2-F6 PolarHBondContact O-N 3.13Å
3S61.5Low73.2Confident89 Ų8988.9 Ų88.962%0.62248%0.478SS*.Hα-helixtrans-65.7-39.8178.154.50000113.3M1 F6 I7M1-S3 PolarHBondContact O-N 3.25Å; S3-F6 WeakPolarHBondContact O-CB 3.43Å; S3-F6 PolarHBondContact O-N 3.25Å; S3-I7 WeakPolarHBondContact O-CG1 3.22Å; S3-I7 PolarHBondContact O-N 3.33Å
4M61.5Low74.7Confident60 Ų6092.6 Ų92.630%0.29649%0.487SS..Hα-helixtrans-67.8-40.7179.1-179.2173.9116.700112M1 F6 I7 V8 W295 I296M1-M4 PolarHBondContact O-N 2.92Å; M4-F6 PolarHBondContact O-N 2.76Å; M4-I7 PolarHBondContact O-N 2.65Å; M4-V8 WeakPolarHBondContact O-CG2 3.09Å; M4-V8 PolarHBondContact O-N 3.3Å; M4-W295 HydrophobicContact CE-CB 4.4Å; M4-I296 HydrophobicContact CG-CD1 3.91Å; M4-I296 HydrophobicContact CG-CG1 4.29Å; M4-I296 HydrophobicContact SD-CD1 3.91Å; M4-I296 HydrophobicContact SD-CG1 4.05Å
5V63.7Low76Confident98 Ų9887.2 Ų87.259%0.59446%0.461SS*.Hα-helixtrans-60.6-38.5174.4174.90000110.5M1 K9M1-V5 PolarHBondContact O-N 3.33Å; V5-K9 WeakPolarHBondContact O-CB 3.46Å; V5-K9 PolarHBondContact O-N 3.31Å
6F61.5Low77.3Confident127 Ų12788.3 Ų88.356%0.55746%0.457SS*.Hα-helixtrans-65.3-47177.4-148.3-94.9000112G2 S3 M4 V8 K9 E10G2-F6 PolarHBondContact O-N 3.13Å; S3-F6 WeakPolarHBondContact O-CB 3.43Å; S3-F6 PolarHBondContact O-N 3.25Å; M4-F6 PolarHBondContact O-N 2.76Å; F6-V8 PolarHBondContact O-N 3.22Å; F6-K9 PolarHBondContact O-N 3.08Å; F6-E10 HydrophobicContact CD1-CG 4.18Å; F6-E10 HydrophobicContact CE1-CG 4.22Å; F6-E10 WeakPolarHBondContact CE1-OE1 3.49Å; F6-E10 PolarHBondContact O-N 3.18Å
7I76.4Confident78.4Confident99 Ų9988.5 Ų88.551%0.50846%0.455SS..Hα-helixtrans-60.2-44.7178-68.7160.5000111.6S3 M4 K9 F11S3-I7 WeakPolarHBondContact O-CG1 3.22Å; S3-I7 PolarHBondContact O-N 3.33Å; M4-I7 PolarHBondContact O-N 2.65Å; I7-K9 VanDerWaalsContact C-N 3.33Å; I7-K9 PolarHBondContact O-N 2.98Å; I7-F11 WeakPolarHBondContact O-CB 3.35Å; I7-F11 PolarHBondContact O-N 3.1Å
8V80.5Confident79.4Confident34 Ų3487.4 Ų87.421%0.20645%0.45CS..Hα-helixtrans-64.8-40.4178.3174.50000110.7M4 F6 F11 L12M4-V8 WeakPolarHBondContact O-CG2 3.09Å; M4-V8 PolarHBondContact O-N 3.3Å; F6-V8 PolarHBondContact O-N 3.22Å; V8-F11 PolarHBondContact O-N 3.21Å; V8-L12 HydrophobicContact CG1-CD1 3.93Å; V8-L12 HydrophobicContact CG1-CG 4.28Å; V8-L12 WeakPolarHBondContact O-CB 3.34Å; V8-L12 VanDerWaalsContact O-CG 3.28Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 3.32Å
9K82.6Confident80.3Confident130 Ų13082.9 Ų82.957%0.56543%0.427SS*.Hα-helixtrans-63.5-48.4178.3-171.6-176.5179.8-1690111.9V5 F6 I7 F11 L12 D13V5-K9 WeakPolarHBondContact O-CB 3.46Å; V5-K9 PolarHBondContact O-N 3.31Å; F6-K9 PolarHBondContact O-N 3.08Å; I7-K9 VanDerWaalsContact C-N 3.33Å; I7-K9 PolarHBondContact O-N 2.98Å; K9-F11 VanDerWaalsContact C-N 3.3Å; K9-F11 PolarHBondContact O-N 3.39Å; K9-L12 PolarHBondContact O-N 2.67Å; K9-D13 WeakPolarHBondContact O-CB 3.34Å; K9-D13 PolarHBondContact O-N 3.4Å
10E87.6Confident81.2Confident114 Ų11483.1 Ų83.153%0.53342%0.424SS..Hα-helixtrans-59.7-42176.8-73.5-177.4156.800111.9F6 D13 K14F6-E10 HydrophobicContact CD1-CG 4.18Å; F6-E10 HydrophobicContact CE1-CG 4.22Å; F6-E10 WeakPolarHBondContact CE1-OE1 3.49Å; F6-E10 PolarHBondContact O-N 3.18Å; E10-D13 PolarHBondContact O-N 3.02Å; E10-K14 PolarHBondContact O-N 3.47Å
11F90.9Very high81.9Confident70 Ų7083.7 Ų83.731%0.30743%0.425SS..Hα-helixtrans-59.3-48.9174.5170.4-96.3000111.9I7 V8 K9 D13 K14 A15 F93 Y149 Y299I7-F11 WeakPolarHBondContact O-CB 3.35Å; I7-F11 PolarHBondContact O-N 3.1Å; V8-F11 PolarHBondContact O-N 3.21Å; K9-F11 VanDerWaalsContact C-N 3.3Å; K9-F11 PolarHBondContact O-N 3.39Å; F11-D13 VanDerWaalsContact C-N 3.33Å; F11-D13 PolarHBondContact O-N 3.02Å; F11-K14 PolarHBondContact O-N 3.3Å; F11-A15 VanDerWaalsContact O-CB 3.3Å; F11-A15 WeakPolarHBondContact O-CB 3.38Å; F11-A15 PolarHBondContact O-N 3.32Å; F11-F93 HydrophobicContact CE1-CD2 4.3Å; F11-F93 AromaticContact CE1-CE2 3.83Å; F11-F93 HydrophobicContact CE1-CE2 3.83Å; F11-F93 HydrophobicContact CZ-CD2 4.15Å; F11-F93 HydrophobicContact CZ-CE2 4Å; F11-Y149 HydrophobicContact CE1-CD2 4.41Å; F11-Y299 HydrophobicContact CE1-CE2 4.38Å; F11-Y299 AromaticContact CE2-CZ 3.92Å; F11-Y299 WeakPolarHBondContact CE2-OH 3.36Å; F11-Y299 HydrophobicContact CZ-CE2 4.01Å; F11-Y299 AromaticContact CZ-CZ 3.87Å; F11-Y299 VanDerWaalsContact CZ-OH 3.23Å; F11-Y299 WeakPolarHBondContact CZ-OH 3.21Å
12L92.1Very high84.2Confident20 Ų2079.5 Ų79.511%0.10540%0.4CS..Hα-helixtrans-66.7-34.4-180-69.1175.9000112.4V8 K9 R16 E148V8-L12 HydrophobicContact CG1-CD1 3.93Å; V8-L12 HydrophobicContact CG1-CG 4.28Å; V8-L12 WeakPolarHBondContact O-CB 3.34Å; V8-L12 VanDerWaalsContact O-CG 3.28Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 3.32Å; K9-L12 PolarHBondContact O-N 2.67Å; L12-R16 WeakPolarHBondContact O-CB 3.45Å; L12-R16 PolarHBondContact O-N 3.45Å; L12-E148 HydrophobicContact CD1-CG 4.06Å
13D92.3Very high86.3Confident71 Ų7178 Ų7838%0.3838%0.375SS..Hα-helixtrans-68.3-42.3176.8-74.3-25000111.1K9 E10 F11 R16 E17K9-D13 WeakPolarHBondContact O-CB 3.34Å; K9-D13 PolarHBondContact O-N 3.4Å; E10-D13 PolarHBondContact O-N 3.02Å; F11-D13 VanDerWaalsContact C-N 3.33Å; F11-D13 PolarHBondContact O-N 3.02Å; D13-R16 PolarHBondContact O-N 2.82Å; D13-R16 IonicContact OD1-CZ 3.75Å; D13-R16 IonicContact OD1-NH1 3.78Å; D13-R16 PolarHBondContact OD1-NH1 3.25Å; D13-R16 IonicContact OD1-NH2 2.81Å; D13-E17 PolarHBondContact O-N 3.36Å
14K94.1Very high88Confident141 Ų14178.7 Ų78.761%0.61337%0.368SS*.Hα-helixtrans-63-47.8172-175.7180177.4-177.60111.7E10 F11 R16 E17 D18E10-K14 PolarHBondContact O-N 3.47Å; F11-K14 PolarHBondContact O-N 3.3Å; K14-R16 PolarHBondContact O-N 3.32Å; K14-E17 PolarHBondContact O-N 3.27Å; K14-E17 VanDerWaalsContact O-N 3.07Å; K14-D18 PolarHBondContact O-N 2.99Å
15A94.7Very high89.6Confident11 Ų1180.9 Ų80.99%0.09138%0.381CS..Hα-helixtrans-57.6-35.1177.600000112.5F11 F19 Y149F11-A15 VanDerWaalsContact O-CB 3.3Å; F11-A15 WeakPolarHBondContact O-CB 3.38Å; F11-A15 PolarHBondContact O-N 3.32Å; A15-F19 WeakPolarHBondContact O-CB 3.47Å; A15-F19 PolarHBondContact O-N 3.14Å; A15-Y149 HydrophobicContact CB-CD2 4.32Å; A15-Y149 HydrophobicContact CB-CE2 3.81Å
16R95.7Very high91Very high105 Ų10578.4 Ų78.440%0.39637%0.367SS..Hα-helixtrans-67.1-40.3175.7-169.9-175.1-62.2120.47.4112.5L12 D13 K14 K20 S152 L153L12-R16 WeakPolarHBondContact O-CB 3.45Å; L12-R16 PolarHBondContact O-N 3.45Å; D13-R16 PolarHBondContact O-N 2.82Å; D13-R16 IonicContact OD1-CZ 3.75Å; D13-R16 IonicContact OD1-NH1 3.78Å; D13-R16 PolarHBondContact OD1-NH1 3.25Å; D13-R16 IonicContact OD1-NH2 2.81Å; K14-R16 PolarHBondContact O-N 3.32Å; R16-K20 VanDerWaalsContact O-CB 3.31Å; R16-K20 WeakPolarHBondContact O-CB 3.48Å; R16-K20 PolarHBondContact O-N 2.97Å; R16-S152 PolarHBondContact NE-O 3.23Å; R16-S152 PolarHBondContact NH2-O 2.85Å; R16-L153 HydrophobicContact CB-CD2 3.98Å; R16-L153 HydrophobicContact CG-CD2 4.14Å
17E96.4Very high92.5Very high91 Ų9174.9 Ų74.943%0.42536%0.361SS..Hα-helixtrans-67.5-47176.3-173.655.6-147.400111D13 K14 F19 K20 Q21D13-E17 PolarHBondContact O-N 3.36Å; K14-E17 PolarHBondContact O-N 3.27Å; K14-E17 VanDerWaalsContact O-N 3.07Å; E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 3.06Å; E17-K20 WeakPolarHBondContact O-CB 3.47Å; E17-K20 PolarHBondContact O-N 2.78Å; E17-K20 VanDerWaalsContact O-N 3.08Å; E17-Q21 WeakPolarHBondContact O-CG 3.48Å; E17-Q21 PolarHBondContact O-N 3.44Å; E17-Q21 PolarHBondContact OE1-NE2 3.17Å
18D96.6Very high93.3Very high70 Ų7074.2 Ų74.237%0.37436%0.356SS..Hα-helixtrans-58.6-44.9176.8-68.7-23000111.2K14 K20 Q21 R22K14-D18 PolarHBondContact O-N 2.99Å; D18-K20 PolarHBondContact O-N 3.45Å; D18-Q21 PolarHBondContact O-N 2.8Å; D18-R22 WeakPolarHBondContact O-CG 2.95Å; D18-R22 PolarHBondContact O-N 3.02Å
19F97.4Very high94.1Very high1 Ų176.6 Ų76.60%0.00437%0.368CS..Hα-helixtrans-60.1-44.6174171-96.4000111.9A15 E17 Q21 R22 W23 A90 I91 L153 L155A15-F19 WeakPolarHBondContact O-CB 3.47Å; A15-F19 PolarHBondContact O-N 3.14Å; E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 3.06Å; F19-Q21 PolarHBondContact O-N 3.22Å; F19-R22 PolarHBondContact O-N 2.66Å; F19-W23 HydrophobicContact CD1-CB 4.48Å; F19-W23 HydrophobicContact CE1-CB 4.16Å; F19-W23 HydrophobicContact CE1-CD2 4.35Å; F19-W23 HydrophobicContact CE1-CE3 4.36Å; F19-W23 HydrophobicContact CE1-CG 4.27Å; F19-W23 AromaticContact CE2-CE3 3.99Å; F19-W23 HydrophobicContact CE2-CE3 3.99Å; F19-W23 HydrophobicContact CZ-CB 4.25Å; F19-W23 AromaticContact CZ-CD2 3.94Å; F19-W23 HydrophobicContact CZ-CD2 3.94Å; F19-W23 AromaticContact CZ-CE3 3.53Å; F19-W23 HydrophobicContact CZ-CE3 3.53Å; F19-W23 HydrophobicContact CZ-CG 4.26Å; F19-W23 HydrophobicContact CZ-CZ3 4.22Å; F19-W23 WeakPolarHBondContact O-CB 3.27Å; F19-W23 PolarHBondContact O-N 3.01Å; F19-A90 HydrophobicContact CD2-CB 3.62Å; F19-A90 WeakPolarHBondContact CD2-O 3.42Å; F19-A90 HydrophobicContact CE2-CB 3.56Å; F19-A90 HydrophobicContact CZ-CB 4.49Å; F19-I91 HydrophobicContact CD2-CG2 4.2Å; F19-I91 HydrophobicContact CE2-CG2 4.12Å; F19-L153 HydrophobicContact CB-CD1 4.03Å; F19-L153 HydrophobicContact CB-CD2 3.74Å; F19-L153 HydrophobicContact CB-CG 4.46Å; F19-L153 HydrophobicContact CD1-CB 4.16Å; F19-L153 HydrophobicContact CD1-CD1 4.41Å; F19-L153 HydrophobicContact CD1-CD2 3.98Å; F19-L153 HydrophobicContact CD1-CG 4.41Å; F19-L153 HydrophobicContact CD2-CD1 3.7Å; F19-L153 HydrophobicContact CE1-CB 4.2Å; F19-L153 HydrophobicContact CE2-CD1 4.28Å; F19-L153 HydrophobicContact CG-CB 4.36Å; F19-L153 HydrophobicContact CG-CD1 3.79Å; F19-L153 HydrophobicContact CG-CD2 3.87Å; F19-L153 HydrophobicContact CG-CG 4.21Å; F19-L153 HydrophobicContact CZ-CB 4.46Å; F19-L155 HydrophobicContact CE2-CD1 3.92Å; F19-L155 HydrophobicContact CZ-CD1 4.16Å; F19-L155 HydrophobicContact CZ-CD2 4.33Å; F19-L155 HydrophobicContact CZ-CG 4.4Å
20K96.8Very high94.8Very high86 Ų8673.3 Ų73.337%0.37436%0.359SS..Hα-helixtrans-61.2-45.1-179-175-174.9171.4-1630111.1R16 E17 D18 R22 W23 E24R16-K20 VanDerWaalsContact O-CB 3.31Å; R16-K20 WeakPolarHBondContact O-CB 3.48Å; R16-K20 PolarHBondContact O-N 2.97Å; E17-K20 WeakPolarHBondContact O-CB 3.47Å; E17-K20 PolarHBondContact O-N 2.78Å; E17-K20 VanDerWaalsContact O-N 3.08Å; D18-K20 PolarHBondContact O-N 3.45Å; K20-R22 PolarHBondContact O-N 3.19Å; K20-W23 PolarHBondContact O-N 2.78Å; K20-E24 WeakPolarHBondContact CE-OE1 3.24Å; K20-E24 HydrophobicContact CG-CG 4.37Å; K20-E24 WeakPolarHBondContact CG-OE1 3.44Å; K20-E24 WeakPolarHBondContact O-CB 3.42Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 2.85Å
21Q96.9Very high95.3Very high96 Ų9668.8 Ų68.845%0.44934%0.341SS..Hα-helixtrans-57.7-49176.7-68.7-66.1-26.300111.7E17 D18 F19 N25E17-Q21 WeakPolarHBondContact O-CG 3.48Å; E17-Q21 PolarHBondContact O-N 3.44Å; E17-Q21 PolarHBondContact OE1-NE2 3.17Å; D18-Q21 PolarHBondContact O-N 2.8Å; F19-Q21 PolarHBondContact O-N 3.22Å; Q21-N25 WeakPolarHBondContact O-CB 3.47Å; Q21-N25 PolarHBondContact O-N 2.83Å; Q21-N25 PolarHBondContact O-ND2 2.78Å
22R96.8Very high95.6Very high95 Ų9568.2 Ų68.236%0.35834%0.344SS..Hα-helixtrans-69.4-31.2178.4-61.6-179.9-163.8-178.58.5113D18 F19 K20 N25 A90 D92D18-R22 WeakPolarHBondContact O-CG 2.95Å; D18-R22 PolarHBondContact O-N 3.02Å; F19-R22 PolarHBondContact O-N 2.66Å; K20-R22 PolarHBondContact O-N 3.19Å; R22-N25 CarbonylContact O-C 3.47Å; R22-A90 HydrophobicContact CB-CB 3.96Å; R22-D92 IonicContact CZ-OD2 2.78Å; R22-D92 IonicContact NH1-OD2 3.86Å; R22-D92 PolarHBondContact NH1-OD2 3.16Å; R22-D92 IonicContact NH2-OD2 3.69Å; R22-D92 PolarHBondContact NH2-OD2 2.89Å
23W96.5Very high95.8Very high31 Ų3168.1 Ų68.112%0.11734%0.344CS..Hα-helixtrans-72.6-39.1178.8179.4-86.9000113.1F19 K20 R86 I87 A90 R183F19-W23 HydrophobicContact CD1-CB 4.48Å; F19-W23 HydrophobicContact CE1-CB 4.16Å; F19-W23 HydrophobicContact CE1-CD2 4.35Å; F19-W23 HydrophobicContact CE1-CE3 4.36Å; F19-W23 HydrophobicContact CE1-CG 4.27Å; F19-W23 AromaticContact CE2-CE3 3.99Å; F19-W23 HydrophobicContact CE2-CE3 3.99Å; F19-W23 HydrophobicContact CZ-CB 4.25Å; F19-W23 AromaticContact CZ-CD2 3.94Å; F19-W23 HydrophobicContact CZ-CD2 3.94Å; F19-W23 AromaticContact CZ-CE3 3.53Å; F19-W23 HydrophobicContact CZ-CE3 3.53Å; F19-W23 HydrophobicContact CZ-CG 4.26Å; F19-W23 HydrophobicContact CZ-CZ3 4.22Å; F19-W23 WeakPolarHBondContact O-CB 3.27Å; F19-W23 PolarHBondContact O-N 3.01Å; K20-W23 PolarHBondContact O-N 2.78Å; W23-R86 HydrophobicContact CD2-CG 4.32Å; W23-R86 HydrophobicContact CE3-CG 3.87Å; W23-R86 HydrophobicContact CH2-CB 4.43Å; W23-R86 HydrophobicContact CH2-CG 3.94Å; W23-R86 HydrophobicContact CZ2-CG 4.37Å; W23-R86 HydrophobicContact CZ3-CB 4.16Å; W23-R86 HydrophobicContact CZ3-CG 3.66Å; W23-R86 PolarHBondContact O-NE 2.91Å; W23-R86 PolarHBondContact O-NH2 3.34Å; W23-I87 HydrophobicContact CH2-CG1 4.17Å; W23-I87 HydrophobicContact CZ3-CB 4.5Å; W23-I87 HydrophobicContact CZ3-CG1 3.64Å; W23-A90 HydrophobicContact CB-CB 4.31Å; W23-A90 HydrophobicContact CE3-CB 4.28Å; W23-R183 HydrophobicContact CH2-CB 4.03Å; W23-R183 HydrophobicContact CZ2-CB 4.19Å
24E96.2Very high96.1Very high102 Ų10270.5 Ų70.548%0.47736%0.357SS..Hα-helixtrans-79.2-29.2178.6-70.5175.8179.200111.6K20 P26K20-E24 WeakPolarHBondContact CE-OE1 3.24Å; K20-E24 HydrophobicContact CG-CG 4.37Å; K20-E24 WeakPolarHBondContact CG-OE1 3.44Å; K20-E24 WeakPolarHBondContact O-CB 3.42Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 2.85Å; E24-P26 VanDerWaalsContact C-CD 3.47Å; E24-P26 VanDerWaalsContact O-CD 3.26Å; E24-P26 WeakPolarHBondContact O-CD 3.34Å
25N95.9Very high96.3Very high107 Ų10766.6 Ų66.657%0.57234%0.343SS*.SBendtrans-120.372.1179.9-54.3-77.7000111.3Q21 R22 A27Q21-N25 WeakPolarHBondContact O-CB 3.47Å; Q21-N25 PolarHBondContact O-N 2.83Å; Q21-N25 PolarHBondContact O-ND2 2.78Å; R22-N25 CarbonylContact O-C 3.47Å; N25-A27 PolarHBondContact O-N 3.24Å
26P93.3Very high96.5Very high45 Ų4566.3 Ų66.329%0.29234%0.339SS..  trans-66.2123.1-176.529.8-37.3000111.5E24E24-P26 VanDerWaalsContact C-CD 3.47Å; E24-P26 VanDerWaalsContact O-CD 3.26Å; E24-P26 WeakPolarHBondContact O-CD 3.34Å
27A93.7Very high96.6Very high53 Ų5365.1 Ų65.144%0.43834%0.341SS..  trans-66.4138.2172.800000110.5N25 T30 K85 Q89N25-A27 PolarHBondContact O-N 3.24Å; A27-T30 HydrophobicContact CB-CG2 3.85Å; A27-K85 PolarHBondContact O-NZ 2.88Å; A27-Q89 PolarHBondContact O-OE1 3.12Å
28Q93.1Very high96.6Very high86 Ų8666.2 Ų66.240%0.40234%0.341SS..  trans-129.5146.8-179.3-70.9178.4-12.200110.3T30 E342Q28-T30 PolarHBondContact O-N 3.45Å; Q28-E342 PolarHBondContact NE2-O 3.06Å
29N95.8Very high96.6Very high84 Ų8466.9 Ų66.945%0.44934%0.344SS..  trans47.256.5176.1-61.6-44.3000113.4A31 S102N29-A31 VanDerWaalsContact C-N 3.29Å; N29-A31 PolarHBondContact O-N 3.37Å; N29-S102 WeakPolarHBondContact CA-O 3.42Å; N29-S102 PolarHBondContact N-O 3.42Å
30T97.5Very high96.5Very high61 Ų6168.6 Ų68.637%0.37435%0.351SS..  trans-85.20.5-175.354.90000114.2A27 Q28 F101 S102A27-T30 HydrophobicContact CB-CG2 3.85Å; Q28-T30 PolarHBondContact O-N 3.45Å; T30-F101 VanDerWaalsContact OG1-CA 3.3Å; T30-F101 WeakPolarHBondContact OG1-CA 3.4Å; T30-S102 PolarHBondContact N-O 3.06Å; T30-S102 PolarHBondContact OG1-N 3.38Å; T30-S102 PolarHBondContact OG1-O 3.4Å
31A98Very high96.5Very high19 Ų1964.5 Ų64.516%0.15733%0.334CS..SBendtrans-159.7-178.3173.300000109.6N29 F36 F101 F103N29-A31 VanDerWaalsContact C-N 3.29Å; N29-A31 PolarHBondContact O-N 3.37Å; A31-F36 HydrophobicContact CB-CE2 3.85Å; A31-F36 HydrophobicContact CB-CZ 4.11Å; A31-F101 HydrophobicContact CB-CB 3.86Å; A31-F101 HydrophobicContact CB-CD1 3.91Å; A31-F101 HydrophobicContact CB-CG 3.96Å; A31-F103 HydrophobicContact CB-CD1 3.9Å; A31-F103 HydrophobicContact CB-CE1 4.1Å; A31-F103 WeakPolarHBondContact O-CB 3.44Å; A31-F103 VanDerWaalsContact O-CG 3.28Å; A31-F103 WeakPolarHBondContact O-CG 3Å
32C97.5Very high96.3Very high57 Ų5760.4 Ų60.439%0.38532%0.315SS..  trans-131.9167.8168.174.60000111.6D34 D35 F36C32-D34 VanDerWaalsContact C-N 3.25Å; C32-D34 PolarHBondContact O-N 3.19Å; C32-D35 PolarHBondContact N-OD2 3.32Å; C32-D35 WeakPolarHBondContact O-CB 3.28Å; C32-D35 PolarHBondContact O-N 2.98Å; C32-D35 PolarHBondContact SG-OD2 3.48Å; C32-F36 VanDerWaalsContact O-CD2 3.3Å; C32-F36 WeakPolarHBondContact O-CD2 3.25Å; C32-F36 WeakPolarHBondContact O-CE2 3.19Å
33L97.2Very high96Very high18 Ų1856.6 Ų56.69%0.09431%0.305CS..G310 helixtrans-63.6-33.3-175.9-172.963.4000112.7D35 F36 M64 F103 Y110 L328 I330L33-D35 PolarHBondContact O-N 2.9Å; L33-F36 PolarHBondContact O-N 2.99Å; L33-M64 HydrophobicContact CD1-CE 4.29Å; L33-M64 HydrophobicContact CD1-SD 3.94Å; L33-F103 HydrophobicContact CB-CE2 3.91Å; L33-F103 HydrophobicContact CB-CZ 4.37Å; L33-F103 HydrophobicContact CD1-CE2 4.43Å; L33-F103 HydrophobicContact CD1-CZ 4.4Å; L33-F103 VanDerWaalsContact N-CE2 3.29Å; L33-Y110 HydrophobicContact CD1-CD1 4.18Å; L33-Y110 HydrophobicContact CD1-CE1 3.64Å; L33-L328 HydrophobicContact CD1-CD2 4.23Å; L33-L328 HydrophobicContact CD2-CD2 3.77Å; L33-I330 HydrophobicContact CD2-CD1 3.55Å
34D97.5Very high95.8Very high121 Ų12159.1 Ų59.165%0.64732%0.324SS*.G310 helixtrans-72.8-10.9-177.5-71.5-21.2000113.2C32 F36 K56C32-D34 VanDerWaalsContact C-N 3.25Å; C32-D34 PolarHBondContact O-N 3.19Å; D34-F36 PolarHBondContact O-N 3.39Å; D34-K56 WeakPolarHBondContact O-CD 3.27Å; D34-K56 VanDerWaalsContact O-CE 3.29Å; D34-K56 WeakPolarHBondContact O-CE 3.36Å; D34-K56 PolarHBondContact O-NZ 3.19Å
35D98.3Very high95.1Very high60 Ų6056.9 Ų56.932%0.32133%0.329SS..G310 helixtrans-73-8.8174-60.8-37.2000112.7C32 L33 H55 K56C32-D35 PolarHBondContact N-OD2 3.32Å; C32-D35 WeakPolarHBondContact O-CB 3.28Å; C32-D35 PolarHBondContact O-N 2.98Å; C32-D35 PolarHBondContact SG-OD2 3.48Å; L33-D35 PolarHBondContact O-N 2.9Å; D35-H55 PolarHBondContact O-CD2 3.27Å; D35-K56 WeakPolarHBondContact O-CB 3.5Å; D35-K56 WeakPolarHBondContact O-CG 3.44Å; D35-K56 PolarHBondContact O-N 3.32Å
36F98.5Very high94.4Very high4 Ų456.3 Ų56.32%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-126.3135.5-171.1-57.1-86.7000113.1A31 C32 L33 D34 V53 K54 H55 Y62 M64 F101 F103 V112A31-F36 HydrophobicContact CB-CE2 3.85Å; A31-F36 HydrophobicContact CB-CZ 4.11Å; C32-F36 VanDerWaalsContact O-CD2 3.3Å; C32-F36 WeakPolarHBondContact O-CD2 3.25Å; C32-F36 WeakPolarHBondContact O-CE2 3.19Å; L33-F36 PolarHBondContact O-N 2.99Å; D34-F36 PolarHBondContact O-N 3.39Å; F36-V53 HydrophobicContact CB-CB 4.15Å; F36-V53 HydrophobicContact CB-CG2 4.36Å; F36-V53 HydrophobicContact CD1-CB 4.4Å; F36-V53 HydrophobicContact CD1-CG2 3.74Å; F36-V53 HydrophobicContact CE1-CG2 4.47Å; F36-V53 HydrophobicContact CG-CG2 4.29Å; F36-K54 CarbonylContact C-O 3.49Å; F36-K54 WeakPolarHBondContact CA-O 3.47Å; F36-H55 HydrophobicContact CD1-CB 3.98Å; F36-H55 HydrophobicContact CE1-CB 3.84Å; F36-H55 AromaticContact CE1-CD2 3.61Å; F36-H55 AromaticContact CZ-CD2 3.87Å; F36-Y62 HydrophobicContact CE1-CD2 4.23Å; F36-M64 HydrophobicContact CB-CE 3.87Å; F36-M64 HydrophobicContact CD1-CE 4.2Å; F36-M64 HydrophobicContact CD2-CE 3.46Å; F36-M64 VanDerWaalsContact CD2-CE 3.46Å; F36-M64 HydrophobicContact CE2-CE 4.03Å; F36-M64 HydrophobicContact CG-CE 3.57Å; F36-F101 HydrophobicContact CE1-CD2 4.19Å; F36-F101 HydrophobicContact CE1-CE2 4.29Å; F36-F101 AromaticContact CZ-CD2 3.74Å; F36-F101 HydrophobicContact CZ-CD2 3.74Å; F36-F101 HydrophobicContact CZ-CE2 4.12Å; F36-F101 HydrophobicContact CZ-CG 4.25Å; F36-F103 HydrophobicContact CD2-CE1 4.45Å; F36-F103 HydrophobicContact CD2-CZ 4.42Å; F36-F103 AromaticContact CE2-CE1 3.86Å; F36-F103 HydrophobicContact CE2-CE1 3.86Å; F36-F103 HydrophobicContact CE2-CZ 4.26Å; F36-V112 HydrophobicContact CE1-CG1 3.93Å; F36-V112 HydrophobicContact CE2-CG2 4.31Å; F36-V112 HydrophobicContact CZ-CG1 4.14Å; F36-V112 HydrophobicContact CZ-CG2 4.05Å
37D98.1Very high93.9Very high81 Ų8157 Ų5743%0.43333%0.331SS..EExtended strand (participates in β ladder)trans-86.5121.2163.2-64.4-42.6000109V53 K54 K56D37-V53 CarbonylContact O-C 3.56Å; D37-V53 WeakPolarHBondContact O-CA 3.39Å; D37-V53 WeakPolarHBondContact O-CB 3.31Å; D37-K54 HydrophobicContact CB-CB 4.49Å; D37-K54 PolarHBondContact N-O 3.4Å; D37-K54 PolarHBondContact O-N 3.13Å; D37-K56 WeakPolarHBondContact OD1-CE 3.35Å; D37-K56 IonicContact OD1-NZ 3.62Å
38R96.8Very high93.6Very high113 Ų11355.4 Ų55.443%0.42632%0.321SS..EExtended strand (participates in β ladder)trans-85.2127177.6-63178.1-64.8-82.90.1109.8M51 V53R38-M51 HydrophobicContact CB-CE 4.11Å; R38-M51 HydrophobicContact CB-SD 4.49Å; R38-V53 HydrophobicContact CB-CG1 4.5Å; R38-V53 HydrophobicContact CG-CG1 4.07Å
39I96.5Very high93.7Very high84 Ų8452.6 Ų52.643%0.43131%0.306SS..EExtended strand (participates in β ladder)trans-108.1-63.3-169.1-61.3163000112L52 K54 Y61I39-L52 HydrophobicContact CB-CB 4.44Å; I39-L52 HydrophobicContact CB-CD2 4.35Å; I39-L52 HydrophobicContact CB-CG 4.29Å; I39-L52 WeakPolarHBondContact CB-O 3.48Å; I39-L52 HydrophobicContact CD1-CD2 4.29Å; I39-L52 HydrophobicContact CD1-CG 4.11Å; I39-L52 HydrophobicContact CG2-CD2 4.18Å; I39-L52 PolarHBondContact N-O 3.44Å; I39-K54 HydrophobicContact CD1-CB 3.92Å; I39-Y61 HydrophobicContact CD1-CD1 3.8Å; I39-Y61 HydrophobicContact CD1-CE1 3.5Å
40K95.9Very high93.7Very high38 Ų3850.5 Ų50.517%0.16530%0.296CS..EExtended strand (participates in β ladder)trans-152.1147.3-173.1178-174.8166.5-172.60110.2M51 L52 D321 D322 E325K40-M51 CarbonylContact O-C 3.52Å; K40-M51 VanDerWaalsContact O-CA 3.3Å; K40-M51 WeakPolarHBondContact O-CA 3.44Å; K40-L52 PolarHBondContact O-N 2.93Å; K40-D321 WeakPolarHBondContact CE-O 3.3Å; K40-D321 PolarHBondContact NZ-O 2.71Å; K40-D322 VanDerWaalsContact CE-OD1 3.22Å; K40-D322 WeakPolarHBondContact CE-OD1 3.44Å; K40-D322 IonicContact NZ-OD1 3.68Å; K40-D322 PolarHBondContact NZ-OD1 3.34Å; K40-E325 WeakPolarHBondContact CA-OE1 3.12Å
41T96.1Very high93.7Very high0 Ų048.2 Ų48.20%028%0.282CS..EExtended strand (participates in β ladder)trans-72.2123168-62.60000111.1T44 R49 V50 Y323 E325T41-T44 HydrophobicContact CG2-CG2 4.07Å; T41-R49 HydrophobicContact CG2-CB 4.47Å; T41-R49 PolarHBondContact OG1-NH1 2.8Å; T41-R49 PolarHBondContact OG1-NH2 3.34Å; T41-V50 CarbonylContact C-O 3.57Å; T41-Y323 HydrophobicContact CG2-CD2 4.24Å; T41-Y323 HydrophobicContact CG2-CG 4.03Å; T41-E325 PolarHBondContact N-OE1 3.49Å; T41-E325 PolarHBondContact OG1-OE1 2.97Å; T41-E325 PolarHBondContact OG1-OE2 3.07Å
42L93.1Very high93.7Very high9 Ų947.4 Ų47.45%0.04728%0.275CS..EExtended strand (participates in β ladder)trans-88.5-26176.4-64.6174.7000112.3V50 L52 A63 F115 A317 F320 Y323L42-V50 HydrophobicContact CB-CG1 4.36Å; L42-V50 HydrophobicContact CD1-CG1 4.35Å; L42-V50 PolarHBondContact N-O 3.34Å; L42-L52 HydrophobicContact CD1-CB 4.03Å; L42-L52 HydrophobicContact CD2-CB 4.01Å; L42-L52 HydrophobicContact CG-CB 3.95Å; L42-A63 HydrophobicContact CD1-CB 4Å; L42-F115 HydrophobicContact CD1-CD2 3.7Å; L42-F115 HydrophobicContact CD1-CE2 3.63Å; L42-F115 HydrophobicContact CD2-CE2 3.85Å; L42-F115 HydrophobicContact CD2-CZ 4.45Å; L42-F115 HydrophobicContact CG-CE2 4.41Å; L42-A317 HydrophobicContact CD2-CB 3.75Å; L42-F320 HydrophobicContact CB-CD1 4.09Å; L42-F320 HydrophobicContact CB-CE1 4.38Å; L42-F320 HydrophobicContact CB-CG 4.49Å; L42-F320 HydrophobicContact CD2-CB 4.21Å; L42-F320 HydrophobicContact CD2-CD1 4.2Å; L42-F320 HydrophobicContact CD2-CD2 3.86Å; L42-F320 HydrophobicContact CD2-CE2 4.26Å; L42-F320 HydrophobicContact CD2-CG 3.82Å; L42-Y323 WeakPolarHBondContact O-CE2 3.28Å
43G91.4Very high93.7Very high15 Ų1544.7 Ų44.716%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-176.9161-178.500000112.5V50G43-V50 PolarHBondContact N-O 3.39Å; G43-V50 PolarHBondContact O-N 3.23Å
44T90.7Very high93.8Very high84 Ų8447.4 Ų47.452%0.51527%0.267SS..EExtended strand (participates in β ladder)trans-125.7140.6178.356.80000110.4T41 R49 Y323T41-T44 HydrophobicContact CG2-CG2 4.07Å; T44-R49 HydrophobicContact CG2-CB 4.43Å; T44-Y323 HydrophobicContact CG2-CD1 3.86Å; T44-Y323 HydrophobicContact CG2-CE1 4.37Å; T44-Y323 HydrophobicContact CG2-CG 4.43Å
45G82.7Confident93.8Very high56 Ų5642.5 Ų42.558%0.57724%0.241SC*.EExtended strand (participates in β ladder)trans-127.8179.5174.300000111.9F47 G48G45-F47 PolarHBondContact O-N 3.34Å; G45-F47 VanDerWaalsContact O-N 3.08Å; G45-G48 PolarHBondContact N-O 2.81Å; G45-G48 PolarHBondContact O-N 2.96Å; G45-G48 VanDerWaalsContact O-O 3.06Å
46S80.1Confident93.8Very high95 Ų9545 Ų4566%0.66425%0.248SC*.THydrogen-bonded Turntrans-58-27.5-174.9-51.50000114.8
47F83.9Confident93.8Very high58 Ų5853.2 Ų53.225%0.25429%0.287SS..THydrogen-bonded Turntrans-113.1-8.1-172.6-41.9-65.2000113.5G45 L67 D68 V72 L75 Q77G45-F47 PolarHBondContact O-N 3.34Å; G45-F47 VanDerWaalsContact O-N 3.08Å; F47-L67 HydrophobicContact CB-CD2 3.92Å; F47-D68 PolarHBondContact O-N 3.37Å; F47-V72 HydrophobicContact CB-CG2 4.16Å; F47-L75 HydrophobicContact CD1-CB 4.1Å; F47-L75 HydrophobicContact CD1-CD1 3.53Å; F47-L75 HydrophobicContact CD1-CG 4.42Å; F47-L75 HydrophobicContact CE1-CB 3.68Å; F47-L75 HydrophobicContact CE1-CD1 3.5Å; F47-L75 VanDerWaalsContact CE1-CD1 3.5Å; F47-L75 HydrophobicContact CE1-CG 4.2Å; F47-Q77 HydrophobicContact CD1-CG 4.14Å; F47-Q77 HydrophobicContact CE1-CB 4.36Å; F47-Q77 HydrophobicContact CE1-CG 3.42Å; F47-Q77 VanDerWaalsContact CE1-CG 3.42Å; F47-Q77 HydrophobicContact CE2-CG 4.09Å; F47-Q77 HydrophobicContact CZ-CB 4.44Å; F47-Q77 HydrophobicContact CZ-CG 3.42Å; F47-Q77 VanDerWaalsContact CZ-CG 3.42Å
48G87.5Confident93.8Very high21 Ų2152 Ų5222%0.21629%0.285CS..EExtended strand (participates in β ladder)trans174.7-163.9-16500000114.6G45 I66G45-G48 PolarHBondContact N-O 2.81Å; G45-G48 PolarHBondContact O-N 2.96Å; G45-G48 VanDerWaalsContact O-O 3.06Å; G48-I66 CarbonylContact C-O 3.46Å; G48-I66 WeakPolarHBondContact CA-O 3.31Å
49R94.7Very high93.8Very high26 Ų2648 Ų4810%0.09828%0.279CS..EExtended strand (participates in β ladder)trans-137155.3-176.566.2-178.85.6-145.8-8.7111.2T41 T44 M51 I66 E324 E325T41-R49 HydrophobicContact CG2-CB 4.47Å; T41-R49 PolarHBondContact OG1-NH1 2.8Å; T41-R49 PolarHBondContact OG1-NH2 3.34Å; T44-R49 HydrophobicContact CG2-CB 4.43Å; R49-M51 HydrophobicContact CG-CG 4.17Å; R49-I66 HydrophobicContact CG-CB 4.33Å; R49-I66 HydrophobicContact CG-CD1 4.36Å; R49-I66 PolarHBondContact N-O 2.88Å; R49-I66 PolarHBondContact O-N 3.14Å; R49-E324 PolarHBondContact NH2-O 3.19Å; R49-E325 IonicContact CZ-OE2 3.93Å; R49-E325 IonicContact NH1-OE2 2.69Å; R49-E325 PolarHBondContact NH1-OE2 3.24Å; R49-E325 IonicContact NH2-OE2 3.29Å
50V95.6Very high93.9Very high40 Ų4048 Ų4824%0.24228%0.28CS..EExtended strand (participates in β ladder)trans-110124.5171.7-176.60000107.5T41 L42 G43 A63 M64 K65T41-V50 CarbonylContact C-O 3.57Å; L42-V50 HydrophobicContact CB-CG1 4.36Å; L42-V50 HydrophobicContact CD1-CG1 4.35Å; L42-V50 PolarHBondContact N-O 3.34Å; G43-V50 PolarHBondContact N-O 3.39Å; G43-V50 PolarHBondContact O-N 3.23Å; V50-A63 HydrophobicContact CG1-CB 3.9Å; V50-M64 CarbonylContact C-O 3.55Å; V50-M64 WeakPolarHBondContact CA-O 3.29Å; V50-K65 HydrophobicContact CG2-CB 4.13Å; V50-K65 HydrophobicContact CG2-CG 4.14Å
51M97.3Very high94Very high14 Ų1449.7 Ų49.77%0.06929%0.285CS..EExtended strand (participates in β ladder)trans-115.8139.9179-61-170.177.300111R38 K40 R49 V53 A63 M64 I66R38-M51 HydrophobicContact CB-CE 4.11Å; R38-M51 HydrophobicContact CB-SD 4.49Å; K40-M51 CarbonylContact O-C 3.52Å; K40-M51 VanDerWaalsContact O-CA 3.3Å; K40-M51 WeakPolarHBondContact O-CA 3.44Å; R49-M51 HydrophobicContact CG-CG 4.17Å; M51-V53 HydrophobicContact CB-CG1 4.27Å; M51-V53 PolarHBondContact O-N 2.95Å; M51-A63 CarbonylContact O-C 3.53Å; M51-A63 WeakPolarHBondContact O-CA 3.43Å; M51-M64 PolarHBondContact N-O 2.94Å; M51-M64 PolarHBondContact O-N 3.29Å; M51-I66 HydrophobicContact CG-CD1 4.06Å; M51-I66 HydrophobicContact SD-CD1 3.76Å
52L97.9Very high94.1Very high2 Ų250.9 Ų50.91%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-65.5126.2160-179.663.9000108.2I39 K40 L42 Y61 Y62 F115 G315 A317I39-L52 HydrophobicContact CB-CB 4.44Å; I39-L52 HydrophobicContact CB-CD2 4.35Å; I39-L52 HydrophobicContact CB-CG 4.29Å; I39-L52 WeakPolarHBondContact CB-O 3.48Å; I39-L52 HydrophobicContact CD1-CD2 4.29Å; I39-L52 HydrophobicContact CD1-CG 4.11Å; I39-L52 HydrophobicContact CG2-CD2 4.18Å; I39-L52 PolarHBondContact N-O 3.44Å; K40-L52 PolarHBondContact O-N 2.93Å; L42-L52 HydrophobicContact CD1-CB 4.03Å; L42-L52 HydrophobicContact CD2-CB 4.01Å; L42-L52 HydrophobicContact CG-CB 3.95Å; L52-Y61 HydrophobicContact CD1-CD1 3.99Å; L52-Y61 HydrophobicContact CD1-CG 4.47Å; L52-Y61 HydrophobicContact CD2-CD1 4.45Å; L52-Y61 HydrophobicContact CG-CD1 4.29Å; L52-Y62 WeakPolarHBondContact CA-O 3.23Å; L52-F115 HydrophobicContact CD1-CB 4.37Å; L52-F115 HydrophobicContact CD1-CD1 3.72Å; L52-F115 HydrophobicContact CD1-CD2 3.89Å; L52-F115 HydrophobicContact CD1-CE1 3.88Å; L52-F115 HydrophobicContact CD1-CE2 4.06Å; L52-F115 HydrophobicContact CD1-CG 3.72Å; L52-F115 HydrophobicContact CD1-CZ 4.05Å; L52-G315 WeakPolarHBondContact CD2-O 3.48Å; L52-A317 HydrophobicContact CD2-CB 4.21Å
53V98.4Very high94.3Very high0 Ų051 Ų510%029%0.292CS..EExtended strand (participates in β ladder)trans-130.7155176.6-55.60000110.4F36 D37 R38 M51 Y61 Y62 M64F36-V53 HydrophobicContact CB-CB 4.15Å; F36-V53 HydrophobicContact CB-CG2 4.36Å; F36-V53 HydrophobicContact CD1-CB 4.4Å; F36-V53 HydrophobicContact CD1-CG2 3.74Å; F36-V53 HydrophobicContact CE1-CG2 4.47Å; F36-V53 HydrophobicContact CG-CG2 4.29Å; D37-V53 CarbonylContact O-C 3.56Å; D37-V53 WeakPolarHBondContact O-CA 3.39Å; D37-V53 WeakPolarHBondContact O-CB 3.31Å; R38-V53 HydrophobicContact CB-CG1 4.5Å; R38-V53 HydrophobicContact CG-CG1 4.07Å; M51-V53 HydrophobicContact CB-CG1 4.27Å; M51-V53 PolarHBondContact O-N 2.95Å; V53-Y61 CarbonylContact O-C 3.46Å; V53-Y61 VanDerWaalsContact O-CA 3.3Å; V53-Y61 WeakPolarHBondContact O-CA 3.37Å; V53-Y62 PolarHBondContact N-O 3.35Å; V53-Y62 PolarHBondContact O-N 3.35Å; V53-M64 HydrophobicContact CB-CB 4.49Å; V53-M64 HydrophobicContact CG1-CB 3.64Å; V53-M64 HydrophobicContact CG1-CE 4.15Å; V53-M64 HydrophobicContact CG1-SD 4.14Å; V53-M64 HydrophobicContact CG2-CB 3.97Å; V53-M64 HydrophobicContact CG2-CE 4.23Å
54K98.6Very high94.6Very high75 Ų7550.3 Ų50.333%0.32629%0.285SS..EExtended strand (participates in β ladder)trans-113.9124.1170.8-174.6-179.6-178-176.20109.2F36 D37 I39 K56 G59 N60 Y61F36-K54 CarbonylContact C-O 3.49Å; F36-K54 WeakPolarHBondContact CA-O 3.47Å; D37-K54 HydrophobicContact CB-CB 4.49Å; D37-K54 PolarHBondContact N-O 3.4Å; D37-K54 PolarHBondContact O-N 3.13Å; I39-K54 HydrophobicContact CD1-CB 3.92Å; K54-K56 PolarHBondContact O-N 3.46Å; K54-G59 WeakPolarHBondContact CE-O 3.24Å; K54-N60 WeakPolarHBondContact CA-O 3.41Å; K54-Y61 HydrophobicContact CB-CD1 4.19Å; K54-Y61 HydrophobicContact CB-CE1 4.1Å; K54-Y61 HydrophobicContact CD-CE1 4.24Å; K54-Y61 HydrophobicContact CG-CE1 4.3Å
55H98.6Very high94.9Very high18 Ų1847.9 Ų47.98%0.08327%0.267CS..EExtended strand (participates in β ladder)trans-71.8121173.7-177.6-121.6000109.3D35 F36 Q57 S58 G59 N60 Y62D35-H55 PolarHBondContact O-CD2 3.27Å; F36-H55 HydrophobicContact CD1-CB 3.98Å; F36-H55 HydrophobicContact CE1-CB 3.84Å; F36-H55 AromaticContact CE1-CD2 3.61Å; F36-H55 AromaticContact CZ-CD2 3.87Å; H55-Q57 VanDerWaalsContact C-N 3.34Å; H55-Q57 PolarHBondContact O-N 2.82Å; H55-S58 PolarHBondContact ND1-N 3.21Å; H55-S58 PolarHBondContact ND1-OG 3.31Å; H55-G59 VanDerWaalsContact O-CA 3.29Å; H55-G59 WeakPolarHBondContact O-CA 3.23Å; H55-G59 PolarHBondContact O-N 3.4Å; H55-N60 PolarHBondContact N-O 2.9Å; H55-Y62 HydrophobicContact CB-CD2 4Å; H55-Y62 HydrophobicContact CB-CE2 3.66Å
56K98.4Very high95.6Very high111 Ų11145.5 Ų45.548%0.48324%0.241SC..THydrogen-bonded Turntrans-60.8-42-169.7-71.8175.7179.5171.10112.5D34 D35 D37 K54D34-K56 WeakPolarHBondContact O-CD 3.27Å; D34-K56 VanDerWaalsContact O-CE 3.29Å; D34-K56 WeakPolarHBondContact O-CE 3.36Å; D34-K56 PolarHBondContact O-NZ 3.19Å; D35-K56 WeakPolarHBondContact O-CB 3.5Å; D35-K56 WeakPolarHBondContact O-CG 3.44Å; D35-K56 PolarHBondContact O-N 3.32Å; D37-K56 WeakPolarHBondContact OD1-CE 3.35Å; D37-K56 IonicContact OD1-NZ 3.62Å; K54-K56 PolarHBondContact O-N 3.46Å
57Q97.5Very high96.4Very high178 Ų17841.1 Ų41.183%0.83221%0.21SC*.THydrogen-bonded Turntrans-73.5-45.2-174.9-170.3-17723.100112.8H55H55-Q57 VanDerWaalsContact C-N 3.34Å; H55-Q57 PolarHBondContact O-N 2.82Å
58S97.4Very high97Very high56 Ų5640.6 Ų40.639%0.39221%0.21SC..THydrogen-bonded Turntrans-92.4-18-176.164.50000113.8H55 N60H55-S58 PolarHBondContact ND1-N 3.21Å; H55-S58 PolarHBondContact ND1-OG 3.31Å; S58-N60 PolarHBondContact O-N 2.86Å; S58-N60 WeakPolarHBondContact OG-CB 3.17Å; S58-N60 PolarHBondContact OG-N 2.84Å; S58-N60 PolarHBondContact OG-ND2 3.25Å
59G97.4Very high97.5Very high28 Ų2839.6 Ų39.629%0.28920%0.2SC..  trans72.91.8-172.800000114.7K54 H55K54-G59 WeakPolarHBondContact CE-O 3.24Å; H55-G59 VanDerWaalsContact O-CA 3.29Å; H55-G59 WeakPolarHBondContact O-CA 3.23Å; H55-G59 PolarHBondContact O-N 3.4Å
60N97.8Very high97.6Very high85 Ų8543.6 Ų43.646%0.45522%0.22SC..  trans-74.1147.9-179.6-67.6-19.5000111.7K54 H55 S58 Y62K54-N60 WeakPolarHBondContact CA-O 3.41Å; H55-N60 PolarHBondContact N-O 2.9Å; S58-N60 PolarHBondContact O-N 2.86Å; S58-N60 WeakPolarHBondContact OG-CB 3.17Å; S58-N60 PolarHBondContact OG-N 2.84Å; S58-N60 PolarHBondContact OG-ND2 3.25Å; N60-Y62 HydrophobicContact CB-CD2 4.49Å; N60-Y62 HydrophobicContact CB-CE2 3.67Å
61Y98.1Very high97.7Very high72 Ų7246.5 Ų46.528%0.28223%0.229SC..EExtended strand (participates in β ladder)trans-94.5142.9176.2-66.2-92.9000111.3I39 L52 V53 K54 P314I39-Y61 HydrophobicContact CD1-CD1 3.8Å; I39-Y61 HydrophobicContact CD1-CE1 3.5Å; L52-Y61 HydrophobicContact CD1-CD1 3.99Å; L52-Y61 HydrophobicContact CD1-CG 4.47Å; L52-Y61 HydrophobicContact CD2-CD1 4.45Å; L52-Y61 HydrophobicContact CG-CD1 4.29Å; V53-Y61 CarbonylContact O-C 3.46Å; V53-Y61 VanDerWaalsContact O-CA 3.3Å; V53-Y61 WeakPolarHBondContact O-CA 3.37Å; K54-Y61 HydrophobicContact CB-CD1 4.19Å; K54-Y61 HydrophobicContact CB-CE1 4.1Å; K54-Y61 HydrophobicContact CD-CE1 4.24Å; K54-Y61 HydrophobicContact CG-CE1 4.3Å; Y61-P314 HydrophobicContact CD2-CB 3.79Å; Y61-P314 HydrophobicContact CE2-CB 4.08Å
62Y98.5Very high97.6Very high26 Ų2645.8 Ų45.810%0.10223%0.226CC..EExtended strand (participates in β ladder)trans-139.1160.8-179.7-64.1-82.4000111F36 L52 V53 H55 N60 T100 F101 V112 L113F36-Y62 HydrophobicContact CE1-CD2 4.23Å; L52-Y62 WeakPolarHBondContact CA-O 3.23Å; V53-Y62 PolarHBondContact N-O 3.35Å; V53-Y62 PolarHBondContact O-N 3.35Å; H55-Y62 HydrophobicContact CB-CD2 4Å; H55-Y62 HydrophobicContact CB-CE2 3.66Å; N60-Y62 HydrophobicContact CB-CD2 4.49Å; N60-Y62 HydrophobicContact CB-CE2 3.67Å; Y62-T100 HydrophobicContact CE1-CG2 4.05Å; Y62-T100 WeakPolarHBondContact CE1-OG1 3.4Å; Y62-F101 HydrophobicContact CE1-CE2 4.35Å; Y62-F101 HydrophobicContact CE2-CE2 4.12Å; Y62-F101 AromaticContact CZ-CE2 3.93Å; Y62-V112 VanDerWaalsContact CB-CG1 3.42Å; Y62-V112 HydrophobicContact CD1-CG1 4.02Å; Y62-V112 HydrophobicContact CD2-CG1 4.29Å; Y62-V112 HydrophobicContact CG-CG1 3.66Å; Y62-L113 WeakPolarHBondContact CA-O 3.25Å; Y62-L113 WeakPolarHBondContact CB-O 3.49Å; Y62-L113 WeakPolarHBondContact CD1-O 3.49Å
63A98Very high97.6Very high11 Ų1148 Ų489%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-100.4108.1167.500000108.9L42 V50 M51 L113L42-A63 HydrophobicContact CD1-CB 4Å; V50-A63 HydrophobicContact CG1-CB 3.9Å; M51-A63 CarbonylContact O-C 3.53Å; M51-A63 WeakPolarHBondContact O-CA 3.43Å; A63-L113 HydrophobicContact CB-CB 4.45Å; A63-L113 PolarHBondContact N-O 2.82Å; A63-L113 WeakPolarHBondContact O-CB 3.41Å; A63-L113 PolarHBondContact O-N 3.03Å
64M98.2Very high97.5Very high0 Ų056.3 Ų56.30%028%0.275CS..EExtended strand (participates in β ladder)trans-92.6108.3178.3-177.8-177.4-74.400110L33 F36 V50 M51 V53 I66 F103 Y110 V112L33-M64 HydrophobicContact CD1-CE 4.29Å; L33-M64 HydrophobicContact CD1-SD 3.94Å; F36-M64 HydrophobicContact CB-CE 3.87Å; F36-M64 HydrophobicContact CD1-CE 4.2Å; F36-M64 HydrophobicContact CD2-CE 3.46Å; F36-M64 VanDerWaalsContact CD2-CE 3.46Å; F36-M64 HydrophobicContact CE2-CE 4.03Å; F36-M64 HydrophobicContact CG-CE 3.57Å; V50-M64 CarbonylContact C-O 3.55Å; V50-M64 WeakPolarHBondContact CA-O 3.29Å; M51-M64 PolarHBondContact N-O 2.94Å; M51-M64 PolarHBondContact O-N 3.29Å; V53-M64 HydrophobicContact CB-CB 4.49Å; V53-M64 HydrophobicContact CG1-CB 3.64Å; V53-M64 HydrophobicContact CG1-CE 4.15Å; V53-M64 HydrophobicContact CG1-SD 4.14Å; V53-M64 HydrophobicContact CG2-CB 3.97Å; V53-M64 HydrophobicContact CG2-CE 4.23Å; M64-I66 HydrophobicContact CG-CD1 4.48Å; M64-I66 HydrophobicContact CG-CG1 3.88Å; M64-I66 HydrophobicContact SD-CD1 4.23Å; M64-I66 HydrophobicContact SD-CG1 4.12Å; M64-F103 HydrophobicContact CE-CE1 4.36Å; M64-F103 HydrophobicContact CE-CZ 3.95Å; M64-Y110 HydrophobicContact CG-CD1 4.18Å; M64-Y110 HydrophobicContact SD-CD1 3.74Å; M64-Y110 HydrophobicContact SD-CE1 4.29Å; M64-V112 HydrophobicContact CE-CG2 3.89Å; M64-V112 HydrophobicContact CG-CG2 4.22Å
65K96.8Very high97.2Very high33 Ų3356.6 Ų56.614%0.14328%0.28CS..EExtended strand (participates in β ladder)trans-80.1118.5169.2-174.9168.1176.6-179.80108.7V50 L67 E84 Y110 M111 L113 D177V50-K65 HydrophobicContact CG2-CB 4.13Å; V50-K65 HydrophobicContact CG2-CG 4.14Å; K65-L67 HydrophobicContact CG-CD2 4.29Å; K65-L67 HydrophobicContact CG-CG 4.37Å; K65-E84 VanDerWaalsContact NZ-CD 3.28Å; K65-E84 IonicContact NZ-OE1 3.34Å; K65-E84 PolarHBondContact NZ-OE1 3.41Å; K65-E84 IonicContact NZ-OE2 2.94Å; K65-E84 PolarHBondContact NZ-OE2 2.9Å; K65-E84 VanDerWaalsContact NZ-OE2 3.08Å; K65-Y110 WeakPolarHBondContact O-CA 3.49Å; K65-M111 HydrophobicContact CB-CB 4.37Å; K65-M111 HydrophobicContact CD-CE 3.91Å; K65-M111 HydrophobicContact CG-CE 4.28Å; K65-M111 PolarHBondContact N-O 2.67Å; K65-M111 PolarHBondContact O-N 2.53Å; K65-L113 HydrophobicContact CB-CD1 4.11Å; K65-D177 IonicContact NZ-OD1 3.57Å
66I97.5Very high97Very high6 Ų664.5 Ų64.53%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-112.1120.3-177.2-50.5174000108.2G48 R49 M51 M64 N108 Y110 L328G48-I66 CarbonylContact C-O 3.46Å; G48-I66 WeakPolarHBondContact CA-O 3.31Å; R49-I66 HydrophobicContact CG-CB 4.33Å; R49-I66 HydrophobicContact CG-CD1 4.36Å; R49-I66 PolarHBondContact N-O 2.88Å; R49-I66 PolarHBondContact O-N 3.14Å; M51-I66 HydrophobicContact CG-CD1 4.06Å; M51-I66 HydrophobicContact SD-CD1 3.76Å; M64-I66 HydrophobicContact CG-CD1 4.48Å; M64-I66 HydrophobicContact CG-CG1 3.88Å; M64-I66 HydrophobicContact SD-CD1 4.23Å; M64-I66 HydrophobicContact SD-CG1 4.12Å; I66-N108 HydrophobicContact CG2-CB 4.08Å; I66-Y110 HydrophobicContact CB-CD1 4.42Å; I66-Y110 HydrophobicContact CB-CE1 4.39Å; I66-Y110 HydrophobicContact CD1-CE1 4.41Å; I66-Y110 HydrophobicContact CG1-CD1 3.96Å; I66-Y110 HydrophobicContact CG1-CE1 4.05Å; I66-Y110 HydrophobicContact CG2-CD1 4.12Å; I66-Y110 HydrophobicContact CG2-CE1 3.69Å; I66-L328 HydrophobicContact CD1-CD2 4.28Å; I66-L328 HydrophobicContact CG2-CD1 3.76Å
67L96.9Very high96.8Very high4 Ų461.1 Ų61.12%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-119.5127.6-178-57.3170.1000110.6F47 K65 K69 V72 T81 N108 L109 M111F47-L67 HydrophobicContact CB-CD2 3.92Å; K65-L67 HydrophobicContact CG-CD2 4.29Å; K65-L67 HydrophobicContact CG-CG 4.37Å; L67-K69 PolarHBondContact O-N 2.9Å; L67-V72 HydrophobicContact CB-CG2 4.1Å; L67-T81 HydrophobicContact CD1-CG2 3.64Å; L67-N108 CarbonylContact O-C 3.59Å; L67-N108 WeakPolarHBondContact O-CA 3.42Å; L67-L109 HydrophobicContact CB-CB 4.25Å; L67-L109 PolarHBondContact N-O 3.43Å; L67-L109 PolarHBondContact O-N 3.44Å; L67-M111 HydrophobicContact CD1-CE 3.59Å
68D96.9Very high96.7Very high46 Ų4654.2 Ų54.225%0.24627%0.27CS..EExtended strand (participates in β ladder)trans-74.8118.8175175.5-43.9000109.6F47 Q70 K71 V72F47-D68 PolarHBondContact O-N 3.37Å; D68-Q70 VanDerWaalsContact C-N 3.28Å; D68-Q70 PolarHBondContact O-N 3.08Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.47Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.36Å; D68-Q70 PolarHBondContact OD1-N 3.08Å; D68-K71 HydrophobicContact CB-CB 3.96Å; D68-K71 HydrophobicContact CB-CD 3.95Å; D68-K71 HydrophobicContact CB-CG 3.89Å; D68-K71 PolarHBondContact O-N 3.1Å; D68-K71 VanDerWaalsContact O-N 3.15Å; D68-K71 PolarHBondContact OD1-N 2.9Å; D68-V72 WeakPolarHBondContact O-CG2 3.49Å; D68-V72 PolarHBondContact O-N 3.19Å
69K97.7Very high96.5Very high1 Ų157 Ų570%0.00428%0.277CS..Hα-helixtrans-56.2-41.9-177.5-72.5-179.6177-1780112.4L67 V72 V73 D105 S107 L109 K335 C336 F340L67-K69 PolarHBondContact O-N 2.9Å; K69-V72 PolarHBondContact O-N 3.03Å; K69-V73 WeakPolarHBondContact O-CG2 3.36Å; K69-V73 PolarHBondContact O-N 3.3Å; K69-D105 WeakPolarHBondContact CE-O 3.19Å; K69-D105 PolarHBondContact NZ-O 3.34Å; K69-S107 VanDerWaalsContact CB-O 3.3Å; K69-S107 WeakPolarHBondContact CB-O 3.48Å; K69-S107 VanDerWaalsContact CG-O 3.31Å; K69-S107 WeakPolarHBondContact CG-O 3.46Å; K69-S107 PolarHBondContact N-O 3.36Å; K69-L109 HydrophobicContact CD-CD2 4.25Å; K69-L109 HydrophobicContact CG-CD1 4.49Å; K69-L109 HydrophobicContact CG-CD2 3.88Å; K69-L109 HydrophobicContact CG-CG 3.83Å; K69-K335 WeakPolarHBondContact CD-O 3.42Å; K69-K335 PolarHBondContact NZ-O 3.47Å; K69-C336 HydrophobicContact CB-CB 4.07Å; K69-C336 HydrophobicContact CD-CB 4.5Å; K69-F340 HydrophobicContact CB-CD2 4.04Å; K69-F340 HydrophobicContact CB-CE2 3.71Å; K69-F340 HydrophobicContact CD-CD2 4Å; K69-F340 HydrophobicContact CG-CD2 3.77Å; K69-F340 HydrophobicContact CG-CE2 3.88Å
70Q96.8Very high96.1Very high109 Ų10957.5 Ų57.551%0.50927%0.271SS..Hα-helixtrans-69.9-38.8-179-59.4-171.3-98.300111.1D68 V73 K74 K335D68-Q70 VanDerWaalsContact C-N 3.28Å; D68-Q70 PolarHBondContact O-N 3.08Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.47Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.36Å; D68-Q70 PolarHBondContact OD1-N 3.08Å; Q70-V73 PolarHBondContact O-N 3.5Å; Q70-K74 VanDerWaalsContact O-CB 3.22Å; Q70-K74 WeakPolarHBondContact O-CB 3.23Å; Q70-K74 PolarHBondContact O-N 3.45Å; Q70-K335 HydrophobicContact CG-CB 4.15Å; Q70-K335 HydrophobicContact CG-CG 4.33Å
71K96.3Very high96Very high101 Ų10153.7 Ų53.744%0.43925%0.251SS..Hα-helixtrans-63.4-44173.6-70.1-174.2-174.4176.30111.5D68 V73 K74 L75D68-K71 HydrophobicContact CB-CB 3.96Å; D68-K71 HydrophobicContact CB-CD 3.95Å; D68-K71 HydrophobicContact CB-CG 3.89Å; D68-K71 PolarHBondContact O-N 3.1Å; D68-K71 VanDerWaalsContact O-N 3.15Å; D68-K71 PolarHBondContact OD1-N 2.9Å; K71-V73 PolarHBondContact O-N 3.27Å; K71-K74 PolarHBondContact O-N 2.86Å; K71-L75 WeakPolarHBondContact O-CB 3.35Å; K71-L75 WeakPolarHBondContact O-CG 3.49Å; K71-L75 PolarHBondContact O-N 3.34Å
72V96.7Very high95.9Very high0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-59.9-46177.5173.90000111F47 L67 D68 K69 K76 Q77 V78 T81 F340F47-V72 HydrophobicContact CB-CG2 4.16Å; L67-V72 HydrophobicContact CB-CG2 4.1Å; D68-V72 WeakPolarHBondContact O-CG2 3.49Å; D68-V72 PolarHBondContact O-N 3.19Å; K69-V72 PolarHBondContact O-N 3.03Å; V72-K76 PolarHBondContact O-N 3.08Å; V72-Q77 HydrophobicContact CG1-CB 4.02Å; V72-Q77 PolarHBondContact O-N 3.47Å; V72-V78 HydrophobicContact CG1-CG2 4.43Å; V72-T81 VanDerWaalsContact CG1-OG1 3.28Å; V72-T81 WeakPolarHBondContact CG1-OG1 3.39Å; V72-F340 HydrophobicContact CB-CZ 3.86Å; V72-F340 HydrophobicContact CG1-CE1 3.82Å; V72-F340 HydrophobicContact CG1-CZ 3.51Å
73V97Very high95.7Very high48 Ų4852.3 Ų52.329%0.29125%0.25SS..Hα-helixtrans-64.1-48176.21720000111.3K69 Q70 K71 L75 K76 V78 C336 E339 F340K69-V73 WeakPolarHBondContact O-CG2 3.36Å; K69-V73 PolarHBondContact O-N 3.3Å; Q70-V73 PolarHBondContact O-N 3.5Å; K71-V73 PolarHBondContact O-N 3.27Å; V73-L75 VanDerWaalsContact C-N 3.26Å; V73-L75 PolarHBondContact O-N 2.9Å; V73-K76 PolarHBondContact O-N 3.21Å; V73-V78 HydrophobicContact CB-CG2 4.44Å; V73-V78 HydrophobicContact CG2-CG2 3.75Å; V73-C336 HydrophobicContact CG2-CB 4.05Å; V73-E339 HydrophobicContact CG2-CB 4.26Å; V73-E339 HydrophobicContact CG2-CG 4.13Å; V73-F340 HydrophobicContact CG2-CE2 3.8Å; V73-F340 HydrophobicContact CG2-CZ 3.99Å
74K96Very high95.6Very high175 Ų17552.3 Ų52.376%0.76125%0.248SC*.Hα-helixtrans-57.4-39.1-179.8179.9177.8176.1-178.70112.3Q70 K71 K76Q70-K74 VanDerWaalsContact O-CB 3.22Å; Q70-K74 WeakPolarHBondContact O-CB 3.23Å; Q70-K74 PolarHBondContact O-N 3.45Å; K71-K74 PolarHBondContact O-N 2.86Å; K74-K76 VanDerWaalsContact C-N 3.29Å
75L93.4Very high95.5Very high81 Ų8152.5 Ų52.542%0.42425%0.249SC..THydrogen-bonded Turntrans-90.810.8-179.7-63.5171.6000113.2F47 K71 V73 Q77F47-L75 HydrophobicContact CD1-CB 4.1Å; F47-L75 HydrophobicContact CD1-CD1 3.53Å; F47-L75 HydrophobicContact CD1-CG 4.42Å; F47-L75 HydrophobicContact CE1-CB 3.68Å; F47-L75 HydrophobicContact CE1-CD1 3.5Å; F47-L75 VanDerWaalsContact CE1-CD1 3.5Å; F47-L75 HydrophobicContact CE1-CG 4.2Å; K71-L75 WeakPolarHBondContact O-CB 3.35Å; K71-L75 WeakPolarHBondContact O-CG 3.49Å; K71-L75 PolarHBondContact O-N 3.34Å; V73-L75 VanDerWaalsContact C-N 3.26Å; V73-L75 PolarHBondContact O-N 2.9Å; L75-Q77 VanDerWaalsContact C-N 3.29Å; L75-Q77 HydrophobicContact CB-CG 4.29Å; L75-Q77 WeakPolarHBondContact O-CG 3.36Å; L75-Q77 PolarHBondContact O-N 2.97Å; L75-Q77 PolarHBondContact O-NE2 2.94Å
76K93.8Very high95.6Very high184 Ų18454.7 Ų54.780%0.826%0.256SS*.THydrogen-bonded Turntrans56.438.4176.3-57.6-179.3178.1-1800113.5V72 V73 K74V72-K76 PolarHBondContact O-N 3.08Å; V73-K76 PolarHBondContact O-N 3.21Å; K74-K76 VanDerWaalsContact C-N 3.29Å
77Q93.3Very high95.6Very high39 Ų3954.4 Ų54.418%0.18226%0.255CS..  trans-106.116-177.7-61.6-54.9-56.300114.1F47 V72 L75 E79 H80 T81F47-Q77 HydrophobicContact CD1-CG 4.14Å; F47-Q77 HydrophobicContact CE1-CB 4.36Å; F47-Q77 HydrophobicContact CE1-CG 3.42Å; F47-Q77 VanDerWaalsContact CE1-CG 3.42Å; F47-Q77 HydrophobicContact CE2-CG 4.09Å; F47-Q77 HydrophobicContact CZ-CB 4.44Å; F47-Q77 HydrophobicContact CZ-CG 3.42Å; F47-Q77 VanDerWaalsContact CZ-CG 3.42Å; V72-Q77 HydrophobicContact CG1-CB 4.02Å; V72-Q77 PolarHBondContact O-N 3.47Å; L75-Q77 VanDerWaalsContact C-N 3.29Å; L75-Q77 HydrophobicContact CB-CG 4.29Å; L75-Q77 WeakPolarHBondContact O-CG 3.36Å; L75-Q77 PolarHBondContact O-N 2.97Å; L75-Q77 PolarHBondContact O-NE2 2.94Å; Q77-E79 PolarHBondContact O-N 3.14Å; Q77-H80 PolarHBondContact O-N 3.25Å; Q77-H80 PolarHBondContact OE1-ND1 3.45Å; Q77-T81 WeakPolarHBondContact O-CB 3.42Å; Q77-T81 PolarHBondContact O-N 3.37Å; Q77-T81 PolarHBondContact O-OG1 2.82Å
78V95.5Very high95.6Very high33 Ų3354.4 Ų54.420%0.226%0.255CS..Hα-helixtrans-56.8-52.7-178.8179.10000111V72 V73 H80 T81 L82 E339 F340V72-V78 HydrophobicContact CG1-CG2 4.43Å; V73-V78 HydrophobicContact CB-CG2 4.44Å; V73-V78 HydrophobicContact CG2-CG2 3.75Å; V78-H80 PolarHBondContact O-N 3.09Å; V78-T81 PolarHBondContact O-N 2.99Å; V78-L82 HydrophobicContact CG1-CD1 4.05Å; V78-L82 WeakPolarHBondContact O-CG 3.21Å; V78-L82 PolarHBondContact O-N 3.23Å; V78-E339 HydrophobicContact CG1-CB 4.16Å; V78-E339 WeakPolarHBondContact CG1-O 3.49Å; V78-E339 HydrophobicContact CG2-CB 4.4Å; V78-F340 HydrophobicContact CB-CE1 4.36Å; V78-F340 HydrophobicContact CG1-CD1 4.41Å; V78-F340 HydrophobicContact CG1-CE1 3.97Å; V78-F340 HydrophobicContact CG1-CZ 4.47Å; V78-F340 HydrophobicContact CG2-CE1 4.25Å; V78-F340 HydrophobicContact CG2-CZ 4Å
79E93.1Very high95.6Very high116 Ų11653.4 Ų53.454%0.54225%0.249SC..Hα-helixtrans-62.6-42.9-179.3-167.2-167.2152.600111.9Q77 T81 L82 N83 K182Q77-E79 PolarHBondContact O-N 3.14Å; E79-T81 PolarHBondContact O-N 3.15Å; E79-L82 PolarHBondContact O-N 3.42Å; E79-N83 VanDerWaalsContact O-CB 3.28Å; E79-N83 WeakPolarHBondContact O-CB 3.27Å; E79-N83 VanDerWaalsContact O-CG 3.24Å; E79-N83 PolarHBondContact O-N 3.45Å; E79-N83 PolarHBondContact O-ND2 3.31Å; E79-K182 IonicContact OE1-NZ 3.11Å
80H91Very high95.6Very high37 Ų3753.4 Ų53.417%0.17125%0.249CC..Hα-helixtrans-63.7-40.2177.5-68.9157.6000112.2Q77 V78 N83 E84Q77-H80 PolarHBondContact O-N 3.25Å; Q77-H80 PolarHBondContact OE1-ND1 3.45Å; V78-H80 PolarHBondContact O-N 3.09Å; H80-N83 PolarHBondContact O-N 2.93Å; H80-E84 VanDerWaalsContact O-CB 3.31Å; H80-E84 WeakPolarHBondContact O-CB 3.49Å; H80-E84 PolarHBondContact O-N 2.95Å
81T95Very high95.7Very high5 Ų548.4 Ų48.43%0.03123%0.226CC..Hα-helixtrans-67.4-42.6178.5-55.30000111.7L67 V72 Q77 V78 E79 E84 K85 L109 F343L67-T81 HydrophobicContact CD1-CG2 3.64Å; V72-T81 VanDerWaalsContact CG1-OG1 3.28Å; V72-T81 WeakPolarHBondContact CG1-OG1 3.39Å; Q77-T81 WeakPolarHBondContact O-CB 3.42Å; Q77-T81 PolarHBondContact O-N 3.37Å; Q77-T81 PolarHBondContact O-OG1 2.82Å; V78-T81 PolarHBondContact O-N 2.99Å; E79-T81 PolarHBondContact O-N 3.15Å; T81-E84 PolarHBondContact O-N 2.89Å; T81-K85 PolarHBondContact O-N 2.97Å; T81-K85 VanDerWaalsContact O-N 3.09Å; T81-L109 HydrophobicContact CG2-CD1 3.68Å; T81-F343 HydrophobicContact CG2-CD2 4.43Å; T81-F343 HydrophobicContact CG2-CE2 4.06Å
82L95.8Very high95.7Very high38 Ų3847.4 Ų47.420%0.19923%0.225CC..Hα-helixtrans-65.5-41.7175.3-68.8174.2000111.4V78 E79 R86 F340 F343V78-L82 HydrophobicContact CG1-CD1 4.05Å; V78-L82 WeakPolarHBondContact O-CG 3.21Å; V78-L82 PolarHBondContact O-N 3.23Å; E79-L82 PolarHBondContact O-N 3.42Å; L82-R86 WeakPolarHBondContact O-CB 3.49Å; L82-R86 PolarHBondContact O-N 3.23Å; L82-F340 HydrophobicContact CD2-CD1 4.41Å; L82-F343 HydrophobicContact CD2-CB 3.96Å; L82-F343 HydrophobicContact CD2-CD2 4.28Å
83N94Very high95.7Very high32 Ų3247.8 Ų47.817%0.17123%0.227CC..Hα-helixtrans-63.1-45.5175.5-78.3-29.9000111.7E79 H80 R86 I87E79-N83 VanDerWaalsContact O-CB 3.28Å; E79-N83 WeakPolarHBondContact O-CB 3.27Å; E79-N83 VanDerWaalsContact O-CG 3.24Å; E79-N83 PolarHBondContact O-N 3.45Å; E79-N83 PolarHBondContact O-ND2 3.31Å; H80-N83 PolarHBondContact O-N 2.93Å; N83-R86 PolarHBondContact O-N 2.92Å; N83-I87 WeakPolarHBondContact O-CB 2.85Å; N83-I87 WeakPolarHBondContact O-CG1 3.46Å; N83-I87 PolarHBondContact O-N 3.12Å
84E95.7Very high95.7Very high11 Ų1147.1 Ų47.15%0.05122%0.224CC..Hα-helixtrans-55.2-55.7177.2177.7174.9-163.500110.5K65 H80 T81 R86 I87 L88 M111 F178K65-E84 VanDerWaalsContact NZ-CD 3.28Å; K65-E84 IonicContact NZ-OE1 3.34Å; K65-E84 PolarHBondContact NZ-OE1 3.41Å; K65-E84 IonicContact NZ-OE2 2.94Å; K65-E84 PolarHBondContact NZ-OE2 2.9Å; K65-E84 VanDerWaalsContact NZ-OE2 3.08Å; H80-E84 VanDerWaalsContact O-CB 3.31Å; H80-E84 WeakPolarHBondContact O-CB 3.49Å; H80-E84 PolarHBondContact O-N 2.95Å; T81-E84 PolarHBondContact O-N 2.89Å; E84-R86 VanDerWaalsContact C-N 3.32Å; E84-R86 PolarHBondContact O-N 3.32Å; E84-I87 PolarHBondContact O-N 3.03Å; E84-L88 HydrophobicContact CG-CD1 3.68Å; E84-L88 HydrophobicContact CG-CG 4.44Å; E84-L88 WeakPolarHBondContact O-CB 3.45Å; E84-L88 WeakPolarHBondContact O-CG 3.38Å; E84-L88 PolarHBondContact O-N 3.25Å; E84-M111 HydrophobicContact CG-CE 4.32Å; E84-M111 HydrophobicContact CG-SD 4.23Å; E84-F178 HydrophobicContact CG-CB 4.09Å
85K97.3Very high95.8Very high4 Ų438.8 Ų38.82%0.01719%0.187CC..Hα-helixtrans-59.1-44178.7-175.6-93.5171.3163.40111.7A27 T81 I87 L88 Q89 M99 S102 M111 F343A27-K85 PolarHBondContact O-NZ 2.88Å; T81-K85 PolarHBondContact O-N 2.97Å; T81-K85 VanDerWaalsContact O-N 3.09Å; K85-I87 VanDerWaalsContact C-N 3.34Å; K85-I87 PolarHBondContact O-N 3.47Å; K85-L88 PolarHBondContact O-N 2.65Å; K85-Q89 WeakPolarHBondContact O-CG 3.43Å; K85-Q89 PolarHBondContact O-N 2.98Å; K85-Q89 VanDerWaalsContact O-N 3.14Å; K85-M99 HydrophobicContact CG-CE 4.16Å; K85-M99 HydrophobicContact CG-SD 4.45Å; K85-S102 WeakPolarHBondContact CE-OG 3.16Å; K85-M111 HydrophobicContact CB-SD 3.94Å; K85-M111 HydrophobicContact CG-CG 4.48Å; K85-M111 HydrophobicContact CG-SD 4.4Å; K85-F343 HydrophobicContact CB-CD2 4.29Å; K85-F343 HydrophobicContact CB-CE2 3.83Å; K85-F343 HydrophobicContact CB-CZ 4.31Å; K85-F343 WeakPolarHBondContact CD-OXT 3.5Å; K85-F343 WeakPolarHBondContact CE-OXT 3.33Å; K85-F343 HydrophobicContact CG-CD2 4.33Å; K85-F343 HydrophobicContact CG-CE1 4.44Å; K85-F343 HydrophobicContact CG-CE2 3.92Å; K85-F343 HydrophobicContact CG-CZ 3.97Å; K85-F343 PolarHBondContact NZ-OXT 3Å
86R97.3Very high96.1Very high78 Ų7834.9 Ų34.929%0.29417%0.167SC..Hα-helixtrans-67-35-177.1-168.5178.5-176.2159.85.3112.7W23 L82 N83 E84 Q89 A90W23-R86 HydrophobicContact CD2-CG 4.32Å; W23-R86 HydrophobicContact CE3-CG 3.87Å; W23-R86 HydrophobicContact CH2-CB 4.43Å; W23-R86 HydrophobicContact CH2-CG 3.94Å; W23-R86 HydrophobicContact CZ2-CG 4.37Å; W23-R86 HydrophobicContact CZ3-CB 4.16Å; W23-R86 HydrophobicContact CZ3-CG 3.66Å; W23-R86 PolarHBondContact O-NE 2.91Å; W23-R86 PolarHBondContact O-NH2 3.34Å; L82-R86 WeakPolarHBondContact O-CB 3.49Å; L82-R86 PolarHBondContact O-N 3.23Å; N83-R86 PolarHBondContact O-N 2.92Å; E84-R86 VanDerWaalsContact C-N 3.32Å; E84-R86 PolarHBondContact O-N 3.32Å; R86-Q89 WeakPolarHBondContact O-CG 3.33Å; R86-A90 WeakPolarHBondContact O-CB 3.47Å
87I97.6Very high96.3Very high0 Ų026.2 Ų26.20%013%0.13CC..Hα-helixtrans-72.8-50.9175-67.7167.3000109.8W23 N83 E84 K85 Q89 A90 I91 L155 F178 A181W23-I87 HydrophobicContact CH2-CG1 4.17Å; W23-I87 HydrophobicContact CZ3-CB 4.5Å; W23-I87 HydrophobicContact CZ3-CG1 3.64Å; N83-I87 WeakPolarHBondContact O-CB 2.85Å; N83-I87 WeakPolarHBondContact O-CG1 3.46Å; N83-I87 PolarHBondContact O-N 3.12Å; E84-I87 PolarHBondContact O-N 3.03Å; K85-I87 VanDerWaalsContact C-N 3.34Å; K85-I87 PolarHBondContact O-N 3.47Å; I87-Q89 VanDerWaalsContact C-N 3.32Å; I87-Q89 PolarHBondContact O-N 3.02Å; I87-A90 PolarHBondContact O-N 2.98Å; I87-I91 HydrophobicContact CG2-CD1 4.37Å; I87-I91 HydrophobicContact CG2-CG2 3.98Å; I87-I91 WeakPolarHBondContact O-CG1 3.32Å; I87-I91 PolarHBondContact O-N 3.28Å; I87-L155 HydrophobicContact CD1-CD2 3.88Å; I87-L155 HydrophobicContact CG1-CD2 3.83Å; I87-L155 HydrophobicContact CG2-CD1 3.98Å; I87-L155 HydrophobicContact CG2-CD2 4.19Å; I87-F178 HydrophobicContact CG2-CD1 3.7Å; I87-F178 HydrophobicContact CG2-CE1 4.2Å; I87-A181 VanDerWaalsContact CD1-C 3.45Å; I87-A181 HydrophobicContact CD1-CB 3.57Å; I87-A181 WeakPolarHBondContact CD1-O 3.46Å; I87-A181 HydrophobicContact CG2-CB 4.44Å
88L97.6Very high96.4Very high4 Ų426.8 Ų26.82%0.02113%0.134CC..Hα-helixtrans-58.6-37.6-175.6-79.6170.6000113.8E84 K85 A90 I91 V97 M99 M111 L113 F178E84-L88 HydrophobicContact CG-CD1 3.68Å; E84-L88 HydrophobicContact CG-CG 4.44Å; E84-L88 WeakPolarHBondContact O-CB 3.45Å; E84-L88 WeakPolarHBondContact O-CG 3.38Å; E84-L88 PolarHBondContact O-N 3.25Å; K85-L88 PolarHBondContact O-N 2.65Å; L88-A90 VanDerWaalsContact C-N 3.27Å; L88-A90 PolarHBondContact O-N 3.16Å; L88-I91 HydrophobicContact CD2-CD1 4.28Å; L88-V97 HydrophobicContact CD2-CG1 4.04Å; L88-M99 HydrophobicContact CB-CB 4.03Å; L88-M99 HydrophobicContact CB-CE 4.34Å; L88-M99 HydrophobicContact CB-SD 4.14Å; L88-M111 HydrophobicContact CD1-SD 4.07Å; L88-L113 HydrophobicContact CD1-CD2 4.18Å; L88-L113 HydrophobicContact CD2-CD2 4.29Å; L88-F178 HydrophobicContact CD1-CB 4.43Å; L88-F178 HydrophobicContact CD2-CB 4.15Å; L88-F178 HydrophobicContact CD2-CD2 3.55Å; L88-F178 HydrophobicContact CD2-CE2 4.08Å; L88-F178 HydrophobicContact CD2-CG 3.88Å; L88-F178 HydrophobicContact CG-CB 4.01Å; L88-F178 HydrophobicContact CG-CD2 4.35Å; L88-F178 HydrophobicContact CG-CG 4.23Å
89Q97.1Very high96.5Very high25 Ų2526.4 Ų26.412%0.11713%0.13CC..THydrogen-bonded Turntrans-72.1-20.4175.767.8-172-3.900113.7A27 K85 R86 I87 M99A27-Q89 PolarHBondContact O-OE1 3.12Å; K85-Q89 WeakPolarHBondContact O-CG 3.43Å; K85-Q89 PolarHBondContact O-N 2.98Å; K85-Q89 VanDerWaalsContact O-N 3.14Å; R86-Q89 WeakPolarHBondContact O-CG 3.33Å; I87-Q89 VanDerWaalsContact C-N 3.32Å; I87-Q89 PolarHBondContact O-N 3.02Å; Q89-M99 HydrophobicContact CB-CE 3.45Å; Q89-M99 VanDerWaalsContact CB-CE 3.45Å
90A97.7Very high96.7Very high1 Ų123.9 Ų23.91%0.00812%0.123CC..THydrogen-bonded Turntrans-99.8-24.1-170.600000113F19 R22 W23 R86 I87 L88F19-A90 HydrophobicContact CD2-CB 3.62Å; F19-A90 WeakPolarHBondContact CD2-O 3.42Å; F19-A90 HydrophobicContact CE2-CB 3.56Å; F19-A90 HydrophobicContact CZ-CB 4.49Å; R22-A90 HydrophobicContact CB-CB 3.96Å; W23-A90 HydrophobicContact CB-CB 4.31Å; W23-A90 HydrophobicContact CE3-CB 4.28Å; R86-A90 WeakPolarHBondContact O-CB 3.47Å; I87-A90 PolarHBondContact O-N 2.98Å; L88-A90 VanDerWaalsContact C-N 3.27Å; L88-A90 PolarHBondContact O-N 3.16Å
91I97.9Very high97.1Very high5 Ų524 Ų243%0.02612%0.123CC..  trans-83.2154.8177.263.1179000111.9F19 I87 L88 L96 Y149 L150 L153 L155 F178F19-I91 HydrophobicContact CD2-CG2 4.2Å; F19-I91 HydrophobicContact CE2-CG2 4.12Å; I87-I91 HydrophobicContact CG2-CD1 4.37Å; I87-I91 HydrophobicContact CG2-CG2 3.98Å; I87-I91 WeakPolarHBondContact O-CG1 3.32Å; I87-I91 PolarHBondContact O-N 3.28Å; L88-I91 HydrophobicContact CD2-CD1 4.28Å; I91-L96 HydrophobicContact CB-CD1 4.44Å; I91-L96 HydrophobicContact CD1-CB 4.41Å; I91-L96 HydrophobicContact CD1-CD1 3.97Å; I91-Y149 WeakPolarHBondContact CA-OH 3.48Å; I91-Y149 HydrophobicContact CB-CE1 4.11Å; I91-Y149 HydrophobicContact CG2-CE1 4.23Å; I91-L150 HydrophobicContact CG2-CD2 4.12Å; I91-L153 HydrophobicContact CG2-CD1 4.4Å; I91-L155 HydrophobicContact CG2-CD1 3.68Å; I91-F178 HydrophobicContact CD1-CD1 4.12Å; I91-F178 HydrophobicContact CD1-CE1 3.49Å; I91-F178 VanDerWaalsContact CD1-CE1 3.49Å; I91-F178 HydrophobicContact CD1-CE2 4.12Å; I91-F178 HydrophobicContact CD1-CZ 3.48Å; I91-F178 VanDerWaalsContact CD1-CZ 3.48Å
92D96.8Very high97.2Very high80 Ų8023.9 Ų23.943%0.42812%0.122SC..  trans-158.4102.5179.3-164.4-12.8000108.8R22 Y149R22-D92 IonicContact CZ-OD2 2.78Å; R22-D92 IonicContact NH1-OD2 3.86Å; R22-D92 PolarHBondContact NH1-OD2 3.16Å; R22-D92 IonicContact NH2-OD2 3.69Å; R22-D92 PolarHBondContact NH2-OD2 2.89Å; D92-Y149 PolarHBondContact N-OH 3.35Å; D92-Y149 WeakPolarHBondContact O-CE2 3.36Å; D92-Y149 PolarHBondContact O-OH 3.25Å
93F97.6Very high97.4Very high7 Ų722.3 Ų22.33%0.03111%0.114CC..  trans-155.1144.3-177.5-162.7-108.6000111.8F11 F95 L96 L145 A146 Y149 Y299F11-F93 HydrophobicContact CE1-CD2 4.3Å; F11-F93 AromaticContact CE1-CE2 3.83Å; F11-F93 HydrophobicContact CE1-CE2 3.83Å; F11-F93 HydrophobicContact CZ-CD2 4.15Å; F11-F93 HydrophobicContact CZ-CE2 4Å; F93-F95 HydrophobicContact CD1-CB 4.47Å; F93-F95 HydrophobicContact CD1-CD2 4.25Å; F93-F95 AromaticContact CE1-CD2 3.67Å; F93-F95 HydrophobicContact CE1-CD2 3.67Å; F93-F95 HydrophobicContact CE1-CE2 4.2Å; F93-F95 HydrophobicContact CE1-CG 4.49Å; F93-F95 PolarHBondContact O-N 3.12Å; F93-L96 HydrophobicContact CB-CB 4.31Å; F93-L96 HydrophobicContact CB-CD1 3.68Å; F93-L96 HydrophobicContact CB-CG 3.82Å; F93-L96 HydrophobicContact CD1-CG 4.25Å; F93-L96 HydrophobicContact CG-CD1 4.48Å; F93-L96 PolarHBondContact O-N 3.01Å; F93-L145 HydrophobicContact CE1-CB 4.11Å; F93-L145 HydrophobicContact CZ-CB 4.02Å; F93-L145 WeakPolarHBondContact CZ-O 3.49Å; F93-A146 HydrophobicContact CD1-CB 4.31Å; F93-A146 HydrophobicContact CE1-CB 4.24Å; F93-Y149 HydrophobicContact CB-CD1 3.84Å; F93-Y149 HydrophobicContact CB-CD2 4.29Å; F93-Y149 HydrophobicContact CB-CE1 3.88Å; F93-Y149 HydrophobicContact CB-CE2 4.27Å; F93-Y149 HydrophobicContact CB-CG 4.08Å; F93-Y149 HydrophobicContact CD1-CG 4.41Å; F93-Y149 HydrophobicContact CD2-CD1 4.13Å; F93-Y149 AromaticContact CD2-CD2 3.36Å; F93-Y149 HydrophobicContact CD2-CD2 3.36Å; F93-Y149 AromaticContact CD2-CE2 3.93Å; F93-Y149 HydrophobicContact CD2-CE2 3.93Å; F93-Y149 AromaticContact CD2-CG 3.47Å; F93-Y149 HydrophobicContact CD2-CG 3.47Å; F93-Y149 VanDerWaalsContact CD2-CG 3.47Å; F93-Y149 AromaticContact CE2-CD2 3.9Å; F93-Y149 HydrophobicContact CE2-CD2 3.9Å; F93-Y149 AromaticContact CE2-CG 3.96Å; F93-Y149 HydrophobicContact CE2-CG 3.96Å; F93-Y149 AromaticContact CG-CD1 3.94Å; F93-Y149 HydrophobicContact CG-CD1 3.94Å; F93-Y149 HydrophobicContact CG-CD2 4.03Å; F93-Y149 HydrophobicContact CG-CE1 4.44Å; F93-Y149 HydrophobicContact CG-CE2 4.46Å; F93-Y149 AromaticContact CG-CG 3.74Å; F93-Y149 HydrophobicContact CG-CG 3.74Å; F93-Y299 HydrophobicContact CD2-CE2 4.26Å; F93-Y299 HydrophobicContact CE2-CD2 4.04Å; F93-Y299 AromaticContact CE2-CE2 3.56Å; F93-Y299 HydrophobicContact CE2-CE2 3.56Å; F93-Y299 AromaticContact CZ-CD2 3.93Å; F93-Y299 HydrophobicContact CZ-CD2 3.93Å; F93-Y299 AromaticContact CZ-CE2 3.92Å; F93-Y299 HydrophobicContact CZ-CE2 3.92Å
94P97Very high97.6Very high34 Ų3423 Ų2322%0.22112%0.115CC..THydrogen-bonded Turntrans-57.5-28-170.3-29.136.6000116K174 Y299P94-K174 VanDerWaalsContact O-CE 3.27Å; P94-K174 WeakPolarHBondContact O-CE 3.46Å; P94-K174 PolarHBondContact O-NZ 3.34Å; P94-Y299 HydrophobicContact CG-CD2 4.08Å; P94-Y299 HydrophobicContact CG-CE2 3.57Å
95F98.4Very high97.7Very high0 Ų023.9 Ų23.90%012%0.121CC..THydrogen-bonded Turntrans-106.310.3-177.3-44.5-48.8000113.6F93 Q142 L145 Y172 L173 K174 I175 I298 K301F93-F95 HydrophobicContact CD1-CB 4.47Å; F93-F95 HydrophobicContact CD1-CD2 4.25Å; F93-F95 AromaticContact CE1-CD2 3.67Å; F93-F95 HydrophobicContact CE1-CD2 3.67Å; F93-F95 HydrophobicContact CE1-CE2 4.2Å; F93-F95 HydrophobicContact CE1-CG 4.49Å; F93-F95 PolarHBondContact O-N 3.12Å; F95-Q142 HydrophobicContact CB-CB 4.5Å; F95-Q142 HydrophobicContact CD1-CB 4.25Å; F95-Q142 HydrophobicContact CD1-CG 4.1Å; F95-Q142 HydrophobicContact CD2-CB 3.8Å; F95-Q142 HydrophobicContact CD2-CG 4.18Å; F95-Q142 WeakPolarHBondContact CD2-O 3.27Å; F95-Q142 HydrophobicContact CE1-CG 3.94Å; F95-Q142 HydrophobicContact CE2-CB 4.08Å; F95-Q142 HydrophobicContact CE2-CG 4.03Å; F95-Q142 HydrophobicContact CG-CB 3.91Å; F95-Q142 HydrophobicContact CG-CG 4.24Å; F95-Q142 HydrophobicContact CZ-CB 4.43Å; F95-Q142 HydrophobicContact CZ-CG 3.91Å; F95-L145 HydrophobicContact CD2-CB 4.29Å; F95-L145 HydrophobicContact CE2-CB 4.03Å; F95-L145 HydrophobicContact CE2-CD1 3.78Å; F95-L145 HydrophobicContact CZ-CD1 4.49Å; F95-Y172 HydrophobicContact CD1-CD1 4.36Å; F95-Y172 AromaticContact CE1-CD1 3.69Å; F95-Y172 HydrophobicContact CE1-CD1 3.69Å; F95-Y172 HydrophobicContact CE1-CE1 4.24Å; F95-L173 VanDerWaalsContact CA-O 3.32Å; F95-L173 WeakPolarHBondContact CA-O 3.32Å; F95-K174 CarbonylContact O-C 3.59Å; F95-K174 WeakPolarHBondContact O-CA 3.41Å; F95-I175 WeakPolarHBondContact O-CG1 3.3Å; F95-I175 PolarHBondContact O-N 2.59Å; F95-I298 HydrophobicContact CE2-CG2 4.32Å; F95-I298 HydrophobicContact CZ-CG2 4.01Å; F95-I298 WeakPolarHBondContact CZ-O 3.33Å; F95-K301 HydrophobicContact CE1-CG 4.16Å
96L98.5Very high97.7Very high0 Ų026.2 Ų26.20%013%0.133CC..BIsolated β-bridgetrans-107.7147.3173.3-55.6-178.2000108.7I91 F93 A146 Y149 L150 K174 I175 F178I91-L96 HydrophobicContact CB-CD1 4.44Å; I91-L96 HydrophobicContact CD1-CB 4.41Å; I91-L96 HydrophobicContact CD1-CD1 3.97Å; F93-L96 HydrophobicContact CB-CB 4.31Å; F93-L96 HydrophobicContact CB-CD1 3.68Å; F93-L96 HydrophobicContact CB-CG 3.82Å; F93-L96 HydrophobicContact CD1-CG 4.25Å; F93-L96 HydrophobicContact CG-CD1 4.48Å; F93-L96 PolarHBondContact O-N 3.01Å; L96-A146 HydrophobicContact CD2-CB 3.95Å; L96-Y149 HydrophobicContact CD1-CD1 3.79Å; L96-Y149 HydrophobicContact CD1-CE1 3.79Å; L96-L150 HydrophobicContact CD1-CD1 4.48Å; L96-L150 HydrophobicContact CD1-CD2 3.8Å; L96-L150 HydrophobicContact CD1-CG 4.1Å; L96-L150 HydrophobicContact CD2-CD1 4.38Å; L96-K174 WeakPolarHBondContact O-CD 3.42Å; L96-K174 PolarHBondContact O-NZ 2.73Å; L96-I175 HydrophobicContact CD2-CB 3.74Å; L96-I175 HydrophobicContact CD2-CD1 3.75Å; L96-I175 HydrophobicContact CD2-CG1 3.98Å; L96-I175 HydrophobicContact CD2-CG2 4.46Å; L96-F178 HydrophobicContact CD1-CZ 4.33Å; L96-F178 HydrophobicContact CD2-CZ 4.02Å
97V97.7Very high97.7Very high2 Ų223.2 Ų23.21%0.01212%0.124CC..PPolyproline II helixtrans-68.813217273.70000109.8L88 L113 E114 I175L88-V97 HydrophobicContact CD2-CG1 4.04Å; V97-L113 HydrophobicContact CG1-CD2 3.74Å; V97-L113 HydrophobicContact CG2-CB 4.03Å; V97-L113 HydrophobicContact CG2-CD2 4.02Å; V97-E114 WeakPolarHBondContact CA-OE1 3.27Å; V97-E114 HydrophobicContact CG2-CG 3.64Å; V97-I175 WeakPolarHBondContact CB-O 3.27Å; V97-I175 WeakPolarHBondContact CG1-O 3.41Å; V97-I175 PolarHBondContact N-O 2.79Å
98N96.8Very high97.7Very high50 Ų5023.6 Ų23.627%0.26713%0.126SC..PPolyproline II helixtrans-90.6130.3177.6-69.6-31.8000110.5L113 E114N98-L113 CarbonylContact O-C 3.48Å; N98-L113 WeakPolarHBondContact O-CA 3.13Å; N98-E114 HydrophobicContact CB-CG 4.39Å; N98-E114 WeakPolarHBondContact CB-OE1 3.29Å; N98-E114 PolarHBondContact N-OE1 2.85Å; N98-E114 PolarHBondContact O-N 3.45Å
99M97.8Very high97.8Very high26 Ų2623.4 Ų23.413%0.12813%0.125CC..EExtended strand (participates in β ladder)trans-88.8120.9167.3-172176.473.400109.4K85 L88 Q89 F101 M111 L113K85-M99 HydrophobicContact CG-CE 4.16Å; K85-M99 HydrophobicContact CG-SD 4.45Å; L88-M99 HydrophobicContact CB-CB 4.03Å; L88-M99 HydrophobicContact CB-CE 4.34Å; L88-M99 HydrophobicContact CB-SD 4.14Å; Q89-M99 HydrophobicContact CB-CE 3.45Å; Q89-M99 VanDerWaalsContact CB-CE 3.45Å; M99-F101 WeakPolarHBondContact CG-O 3.43Å; M99-M111 HydrophobicContact SD-CB 3.85Å; M99-M111 HydrophobicContact SD-CG 3.8Å; M99-M111 HydrophobicContact SD-SD 4.27Å; M99-L113 HydrophobicContact CB-CD2 4.25Å
100T97.2Very high97.8Very high63 Ų6322.2 Ų22.239%0.38712%0.119SC..EExtended strand (participates in β ladder)trans-93.2-42.8-178.8-51.70000111.4Y62 V112Y62-T100 HydrophobicContact CE1-CG2 4.05Å; Y62-T100 WeakPolarHBondContact CE1-OG1 3.4Å; T100-V112 PolarHBondContact N-O 2.99Å
101F98.2Very high97.9Very high38 Ų3822.2 Ų22.217%0.16712%0.119CC..EExtended strand (participates in β ladder)trans-132.6154.1179.9-45.1-83.2000111.8T30 A31 F36 Y62 M99 V112T30-F101 VanDerWaalsContact OG1-CA 3.3Å; T30-F101 WeakPolarHBondContact OG1-CA 3.4Å; A31-F101 HydrophobicContact CB-CB 3.86Å; A31-F101 HydrophobicContact CB-CD1 3.91Å; A31-F101 HydrophobicContact CB-CG 3.96Å; F36-F101 HydrophobicContact CE1-CD2 4.19Å; F36-F101 HydrophobicContact CE1-CE2 4.29Å; F36-F101 AromaticContact CZ-CD2 3.74Å; F36-F101 HydrophobicContact CZ-CD2 3.74Å; F36-F101 HydrophobicContact CZ-CE2 4.12Å; F36-F101 HydrophobicContact CZ-CG 4.25Å; Y62-F101 HydrophobicContact CE1-CE2 4.35Å; Y62-F101 HydrophobicContact CE2-CE2 4.12Å; Y62-F101 AromaticContact CZ-CE2 3.93Å; M99-F101 WeakPolarHBondContact CG-O 3.43Å; F101-V112 HydrophobicContact CB-CB 3.88Å; F101-V112 HydrophobicContact CB-CG2 4.01Å; F101-V112 HydrophobicContact CD2-CB 3.99Å; F101-V112 HydrophobicContact CD2-CG1 3.88Å; F101-V112 HydrophobicContact CG-CB 4.45Å; F101-V112 PolarHBondContact N-O 3.14Å; F101-V112 PolarHBondContact O-N 2.8Å
102S98.3Very high97.9Very high3 Ų322 Ų222%0.02112%0.118CC..EExtended strand (participates in β ladder)trans-149.4140.1167.962.50000110.4N29 T30 K85 Y110N29-S102 WeakPolarHBondContact CA-O 3.42Å; N29-S102 PolarHBondContact N-O 3.42Å; T30-S102 PolarHBondContact N-O 3.06Å; T30-S102 PolarHBondContact OG1-N 3.38Å; T30-S102 PolarHBondContact OG1-O 3.4Å; K85-S102 WeakPolarHBondContact CE-OG 3.16Å; S102-Y110 VanDerWaalsContact CA-O 3.23Å; S102-Y110 WeakPolarHBondContact CA-O 3.34Å
103F98.5Very high97.9Very high6 Ų618.6 Ų18.63%0.02610%0.1CC..EExtended strand (participates in β ladder)trans-160.1173.5-17958.5-87.8000110.6A31 L33 F36 M64 Y110 V112 F343A31-F103 HydrophobicContact CB-CD1 3.9Å; A31-F103 HydrophobicContact CB-CE1 4.1Å; A31-F103 WeakPolarHBondContact O-CB 3.44Å; A31-F103 VanDerWaalsContact O-CG 3.28Å; A31-F103 WeakPolarHBondContact O-CG 3Å; L33-F103 HydrophobicContact CB-CE2 3.91Å; L33-F103 HydrophobicContact CB-CZ 4.37Å; L33-F103 HydrophobicContact CD1-CE2 4.43Å; L33-F103 HydrophobicContact CD1-CZ 4.4Å; L33-F103 VanDerWaalsContact N-CE2 3.29Å; F36-F103 HydrophobicContact CD2-CE1 4.45Å; F36-F103 HydrophobicContact CD2-CZ 4.42Å; F36-F103 AromaticContact CE2-CE1 3.86Å; F36-F103 HydrophobicContact CE2-CE1 3.86Å; F36-F103 HydrophobicContact CE2-CZ 4.26Å; M64-F103 HydrophobicContact CE-CE1 4.36Å; M64-F103 HydrophobicContact CE-CZ 3.95Å; F103-Y110 AromaticContact CD2-CD2 3.38Å; F103-Y110 HydrophobicContact CD2-CD2 3.38Å; F103-Y110 HydrophobicContact CD2-CE2 4.1Å; F103-Y110 AromaticContact CD2-CG 3.79Å; F103-Y110 HydrophobicContact CD2-CG 3.79Å; F103-Y110 HydrophobicContact CE1-CG 4.35Å; F103-Y110 AromaticContact CE2-CD1 3.94Å; F103-Y110 HydrophobicContact CE2-CD1 3.94Å; F103-Y110 AromaticContact CE2-CD2 3.2Å; F103-Y110 HydrophobicContact CE2-CD2 3.2Å; F103-Y110 HydrophobicContact CE2-CE1 4.43Å; F103-Y110 AromaticContact CE2-CE2 3.76Å; F103-Y110 HydrophobicContact CE2-CE2 3.76Å; F103-Y110 AromaticContact CE2-CG 3.29Å; F103-Y110 HydrophobicContact CE2-CG 3.29Å; F103-Y110 HydrophobicContact CG-CD2 4.3Å; F103-Y110 HydrophobicContact CG-CG 4.48Å; F103-Y110 HydrophobicContact CZ-CD1 4.05Å; F103-Y110 HydrophobicContact CZ-CD2 4.03Å; F103-Y110 AromaticContact CZ-CG 3.62Å; F103-Y110 HydrophobicContact CZ-CG 3.62Å; F103-Y110 PolarHBondContact N-O 3.36Å; F103-Y110 VanDerWaalsContact N-O 3.11Å; F103-Y110 WeakPolarHBondContact O-CB 3.47Å; F103-Y110 PolarHBondContact O-N 3.28Å; F103-V112 HydrophobicContact CE1-CG2 3.83Å; F103-F343 WeakPolarHBondContact O-CE1 3.42Å
104K98.1Very high97.9Very high45 Ų4520.4 Ų20.420%0.19611%0.108CC..EExtended strand (participates in β ladder)trans-140.6155.2176.964.2-160.8173.4-148.90111N108 L109 F340 A341 F343K104-N108 WeakPolarHBondContact CA-O 3.24Å; K104-N108 WeakPolarHBondContact CB-O 3.41Å; K104-L109 HydrophobicContact CB-CD2 3.82Å; K104-L109 HydrophobicContact CD-CD2 4.44Å; K104-F340 PolarHBondContact NZ-O 2.93Å; K104-A341 PolarHBondContact NZ-O 3.22Å; K104-F343 HydrophobicContact CB-CD1 4.34Å; K104-F343 HydrophobicContact CD-CB 4.16Å; K104-F343 HydrophobicContact CD-CD1 4.4Å; K104-F343 PolarHBondContact NZ-O 3.04Å
105D97.7Very high97.9Very high31 Ų3120 Ų2017%0.16610%0.103CC..  trans-124.1-165.4169.267.828000110.3K69 S107 N108 Y110 I330K69-D105 WeakPolarHBondContact CE-O 3.19Å; K69-D105 PolarHBondContact NZ-O 3.34Å; D105-S107 PolarHBondContact O-N 2.79Å; D105-S107 WeakPolarHBondContact OD1-CA 3.14Å; D105-S107 PolarHBondContact OD1-N 2.87Å; D105-N108 PolarHBondContact N-O 3.35Å; D105-N108 PolarHBondContact OD1-N 3.43Å; D105-Y110 HydrophobicContact CB-CE2 4.22Å; D105-Y110 VanDerWaalsContact OD2-CE2 3.23Å; D105-Y110 WeakPolarHBondContact OD2-CE2 3.47Å; D105-Y110 VanDerWaalsContact OD2-CZ 3.25Å; D105-Y110 PolarHBondContact OD2-OH 2.87Å; D105-I330 HydrophobicContact CB-CG2 4.34Å; D105-I330 VanDerWaalsContact OD2-CD1 3.28Å; D105-I330 WeakPolarHBondContact OD2-CD1 3.32Å; D105-I330 WeakPolarHBondContact OD2-CG1 3.3Å
106N98Very high97.9Very high53 Ų5320.4 Ų20.428%0.28311%0.105SC..SBendtrans-58.8-27.3179.9-76-15.9000114.5I330 S331 K335N106-I330 HydrophobicContact CB-CG2 4.19Å; N106-S331 WeakPolarHBondContact CB-O 3.15Å; N106-S331 PolarHBondContact ND2-O 2.9Å; N106-K335 VanDerWaalsContact O-CB 3.29Å; N106-K335 WeakPolarHBondContact O-CB 3.42Å; N106-K335 WeakPolarHBondContact O-CG 3.46Å; N106-K335 PolarHBondContact O-N 3.34Å
107S97.7Very high97.7Very high14 Ų1421 Ų2110%0.09811%0.11CC..SBendtrans-117.8-32-171.6-78.40000114.1K69 D105 S331K69-S107 VanDerWaalsContact CB-O 3.3Å; K69-S107 WeakPolarHBondContact CB-O 3.48Å; K69-S107 VanDerWaalsContact CG-O 3.31Å; K69-S107 WeakPolarHBondContact CG-O 3.46Å; K69-S107 PolarHBondContact N-O 3.36Å; D105-S107 PolarHBondContact O-N 2.79Å; D105-S107 WeakPolarHBondContact OD1-CA 3.14Å; D105-S107 PolarHBondContact OD1-N 2.87Å; S107-S331 VanDerWaalsContact OG-CB 3.3Å; S107-S331 WeakPolarHBondContact OG-CB 3.43Å; S107-S331 PolarHBondContact OG-N 3.13Å
108N98Very high97.6Very high8 Ų820.9 Ų20.94%0.04311%0.109CC..EExtended strand (participates in β ladder)trans-130157.5-163-55.9-62.6000112.7I66 L67 K104 D105 Y110 R329I66-N108 HydrophobicContact CG2-CB 4.08Å; L67-N108 CarbonylContact O-C 3.59Å; L67-N108 WeakPolarHBondContact O-CA 3.42Å; K104-N108 WeakPolarHBondContact CA-O 3.24Å; K104-N108 WeakPolarHBondContact CB-O 3.41Å; D105-N108 PolarHBondContact N-O 3.35Å; D105-N108 PolarHBondContact OD1-N 3.43Å; N108-Y110 HydrophobicContact CB-CD2 4.45Å; N108-Y110 HydrophobicContact CB-CE1 4.2Å; N108-Y110 HydrophobicContact CB-CE2 3.66Å; N108-Y110 WeakPolarHBondContact CB-OH 3.48Å; N108-Y110 PolarHBondContact ND2-OH 2.89Å; N108-R329 PolarHBondContact ND2-O 3.3Å
109L98.2Very high97.5Very high0 Ų018.5 Ų18.50%010%0.096CC..EExtended strand (participates in β ladder)trans-109.7139.3167.9-50.4171.7000108.3L67 K69 T81 K104 F340 F343L67-L109 HydrophobicContact CB-CB 4.25Å; L67-L109 PolarHBondContact N-O 3.43Å; L67-L109 PolarHBondContact O-N 3.44Å; K69-L109 HydrophobicContact CD-CD2 4.25Å; K69-L109 HydrophobicContact CG-CD1 4.49Å; K69-L109 HydrophobicContact CG-CD2 3.88Å; K69-L109 HydrophobicContact CG-CG 3.83Å; T81-L109 HydrophobicContact CG2-CD1 3.68Å; K104-L109 HydrophobicContact CB-CD2 3.82Å; K104-L109 HydrophobicContact CD-CD2 4.44Å; L109-F340 HydrophobicContact CD1-CD1 3.57Å; L109-F340 HydrophobicContact CD1-CD2 4.42Å; L109-F340 HydrophobicContact CD1-CE1 3.58Å; L109-F340 HydrophobicContact CD1-CE2 4.43Å; L109-F340 HydrophobicContact CD1-CG 4.01Å; L109-F340 HydrophobicContact CD1-CZ 4.04Å; L109-F340 HydrophobicContact CD2-CB 3.95Å; L109-F340 HydrophobicContact CD2-CD1 4.24Å; L109-F340 HydrophobicContact CD2-CD2 4.37Å; L109-F340 HydrophobicContact CD2-CG 3.93Å; L109-F343 HydrophobicContact CB-CD1 4.37Å; L109-F343 HydrophobicContact CB-CD2 4.27Å; L109-F343 HydrophobicContact CB-CE1 3.91Å; L109-F343 HydrophobicContact CB-CE2 3.8Å; L109-F343 HydrophobicContact CB-CZ 3.61Å; L109-F343 HydrophobicContact CD1-CD2 3.84Å; L109-F343 HydrophobicContact CD1-CE2 3.91Å; L109-F343 HydrophobicContact CD1-CG 4.45Å; L109-F343 HydrophobicContact CD2-CB 4.19Å; L109-F343 HydrophobicContact CD2-CD1 3.9Å; L109-F343 HydrophobicContact CD2-CD2 3.99Å; L109-F343 HydrophobicContact CD2-CE1 4.3Å; L109-F343 HydrophobicContact CD2-CE2 4.38Å; L109-F343 HydrophobicContact CD2-CG 3.74Å; L109-F343 HydrophobicContact CG-CD2 4.25Å; L109-F343 HydrophobicContact CG-CE2 4.24Å; L109-F343 HydrophobicContact CG-CG 4.46Å; L109-F343 HydrophobicContact CG-CZ 4.45Å
110Y98.3Very high97.3Very high0 Ų020 Ų200%010%0.103CC..EExtended strand (participates in β ladder)trans-125126.7-175.7-56.9-89.8000110.2L33 M64 K65 I66 S102 F103 D105 N108 L328L33-Y110 HydrophobicContact CD1-CD1 4.18Å; L33-Y110 HydrophobicContact CD1-CE1 3.64Å; M64-Y110 HydrophobicContact CG-CD1 4.18Å; M64-Y110 HydrophobicContact SD-CD1 3.74Å; M64-Y110 HydrophobicContact SD-CE1 4.29Å; K65-Y110 WeakPolarHBondContact O-CA 3.49Å; I66-Y110 HydrophobicContact CB-CD1 4.42Å; I66-Y110 HydrophobicContact CB-CE1 4.39Å; I66-Y110 HydrophobicContact CD1-CE1 4.41Å; I66-Y110 HydrophobicContact CG1-CD1 3.96Å; I66-Y110 HydrophobicContact CG1-CE1 4.05Å; I66-Y110 HydrophobicContact CG2-CD1 4.12Å; I66-Y110 HydrophobicContact CG2-CE1 3.69Å; S102-Y110 VanDerWaalsContact CA-O 3.23Å; S102-Y110 WeakPolarHBondContact CA-O 3.34Å; F103-Y110 AromaticContact CD2-CD2 3.38Å; F103-Y110 HydrophobicContact CD2-CD2 3.38Å; F103-Y110 HydrophobicContact CD2-CE2 4.1Å; F103-Y110 AromaticContact CD2-CG 3.79Å; F103-Y110 HydrophobicContact CD2-CG 3.79Å; F103-Y110 HydrophobicContact CE1-CG 4.35Å; F103-Y110 AromaticContact CE2-CD1 3.94Å; F103-Y110 HydrophobicContact CE2-CD1 3.94Å; F103-Y110 AromaticContact CE2-CD2 3.2Å; F103-Y110 HydrophobicContact CE2-CD2 3.2Å; F103-Y110 HydrophobicContact CE2-CE1 4.43Å; F103-Y110 AromaticContact CE2-CE2 3.76Å; F103-Y110 HydrophobicContact CE2-CE2 3.76Å; F103-Y110 AromaticContact CE2-CG 3.29Å; F103-Y110 HydrophobicContact CE2-CG 3.29Å; F103-Y110 HydrophobicContact CG-CD2 4.3Å; F103-Y110 HydrophobicContact CG-CG 4.48Å; F103-Y110 HydrophobicContact CZ-CD1 4.05Å; F103-Y110 HydrophobicContact CZ-CD2 4.03Å; F103-Y110 AromaticContact CZ-CG 3.62Å; F103-Y110 HydrophobicContact CZ-CG 3.62Å; F103-Y110 PolarHBondContact N-O 3.36Å; F103-Y110 VanDerWaalsContact N-O 3.11Å; F103-Y110 WeakPolarHBondContact O-CB 3.47Å; F103-Y110 PolarHBondContact O-N 3.28Å; D105-Y110 HydrophobicContact CB-CE2 4.22Å; D105-Y110 VanDerWaalsContact OD2-CE2 3.23Å; D105-Y110 WeakPolarHBondContact OD2-CE2 3.47Å; D105-Y110 VanDerWaalsContact OD2-CZ 3.25Å; D105-Y110 PolarHBondContact OD2-OH 2.87Å; N108-Y110 HydrophobicContact CB-CD2 4.45Å; N108-Y110 HydrophobicContact CB-CE1 4.2Å; N108-Y110 HydrophobicContact CB-CE2 3.66Å; N108-Y110 WeakPolarHBondContact CB-OH 3.48Å; N108-Y110 PolarHBondContact ND2-OH 2.89Å; Y110-L328 HydrophobicContact CE1-CD2 4.13Å
111M98.1Very high97.2Very high1 Ų117 Ų171%0.0058%0.084CC..EExtended strand (participates in β ladder)trans-120115.8167.8-65.5179.9-82.600108.1K65 L67 E84 K85 L88 M99 F343K65-M111 HydrophobicContact CB-CB 4.37Å; K65-M111 HydrophobicContact CD-CE 3.91Å; K65-M111 HydrophobicContact CG-CE 4.28Å; K65-M111 PolarHBondContact N-O 2.67Å; K65-M111 PolarHBondContact O-N 2.53Å; L67-M111 HydrophobicContact CD1-CE 3.59Å; E84-M111 HydrophobicContact CG-CE 4.32Å; E84-M111 HydrophobicContact CG-SD 4.23Å; K85-M111 HydrophobicContact CB-SD 3.94Å; K85-M111 HydrophobicContact CG-CG 4.48Å; K85-M111 HydrophobicContact CG-SD 4.4Å; L88-M111 HydrophobicContact CD1-SD 4.07Å; M99-M111 HydrophobicContact SD-CB 3.85Å; M99-M111 HydrophobicContact SD-CG 3.8Å; M99-M111 HydrophobicContact SD-SD 4.27Å; M111-F343 HydrophobicContact CG-CZ 3.87Å
112V98.4Very high97Very high0 Ų017.9 Ų17.90%09%0.088CC..EExtended strand (participates in β ladder)trans-100.7104.7-178-171.90000108.5F36 Y62 M64 T100 F101 F103F36-V112 HydrophobicContact CE1-CG1 3.93Å; F36-V112 HydrophobicContact CE2-CG2 4.31Å; F36-V112 HydrophobicContact CZ-CG1 4.14Å; F36-V112 HydrophobicContact CZ-CG2 4.05Å; Y62-V112 VanDerWaalsContact CB-CG1 3.42Å; Y62-V112 HydrophobicContact CD1-CG1 4.02Å; Y62-V112 HydrophobicContact CD2-CG1 4.29Å; Y62-V112 HydrophobicContact CG-CG1 3.66Å; M64-V112 HydrophobicContact CE-CG2 3.89Å; M64-V112 HydrophobicContact CG-CG2 4.22Å; T100-V112 PolarHBondContact N-O 2.99Å; F101-V112 HydrophobicContact CB-CB 3.88Å; F101-V112 HydrophobicContact CB-CG2 4.01Å; F101-V112 HydrophobicContact CD2-CB 3.99Å; F101-V112 HydrophobicContact CD2-CG1 3.88Å; F101-V112 HydrophobicContact CG-CB 4.45Å; F101-V112 PolarHBondContact N-O 3.14Å; F101-V112 PolarHBondContact O-N 2.8Å; F103-V112 HydrophobicContact CE1-CG2 3.83Å
113L98Very high96.7Very high10 Ų1019.9 Ų19.95%0.05210%0.102CC..EExtended strand (participates in β ladder)trans-99.4155.7-175.2-60.1137000110.1Y62 A63 K65 L88 V97 N98 M99 F115Y62-L113 WeakPolarHBondContact CA-O 3.25Å; Y62-L113 WeakPolarHBondContact CB-O 3.49Å; Y62-L113 WeakPolarHBondContact CD1-O 3.49Å; A63-L113 HydrophobicContact CB-CB 4.45Å; A63-L113 PolarHBondContact N-O 2.82Å; A63-L113 WeakPolarHBondContact O-CB 3.41Å; A63-L113 PolarHBondContact O-N 3.03Å; K65-L113 HydrophobicContact CB-CD1 4.11Å; L88-L113 HydrophobicContact CD1-CD2 4.18Å; L88-L113 HydrophobicContact CD2-CD2 4.29Å; V97-L113 HydrophobicContact CG1-CD2 3.74Å; V97-L113 HydrophobicContact CG2-CB 4.03Å; V97-L113 HydrophobicContact CG2-CD2 4.02Å; N98-L113 CarbonylContact O-C 3.48Å; N98-L113 WeakPolarHBondContact O-CA 3.13Å; M99-L113 HydrophobicContact CB-CD2 4.25Å; L113-F115 PolarHBondContact O-N 2.85Å
114E97Very high96.5Very high44 Ų4419.8 Ų19.821%0.20610%0.102CC..EExtended strand (participates in β ladder)trans-55.7138.9167.864.6179.6134.900110.8V97 N98 I116 K174V97-E114 WeakPolarHBondContact CA-OE1 3.27Å; V97-E114 HydrophobicContact CG2-CG 3.64Å; N98-E114 HydrophobicContact CB-CG 4.39Å; N98-E114 WeakPolarHBondContact CB-OE1 3.29Å; N98-E114 PolarHBondContact N-OE1 2.85Å; N98-E114 PolarHBondContact O-N 3.45Å; E114-I116 HydrophobicContact CG-CD1 3.66Å; E114-I116 HydrophobicContact CG-CG1 4.34Å; E114-K174 WeakPolarHBondContact OE1-CE 3.39Å; E114-K174 IonicContact OE1-NZ 2.63Å; E114-K174 PolarHBondContact OE1-NZ 2.8Å; E114-K174 IonicContact OE2-NZ 3.56Å; E114-K174 PolarHBondContact OE2-NZ 3.34Å
115F97.6Very high96.3Very high26 Ų2617.7 Ų17.711%0.1149%0.093CC..PPolyproline II helixtrans-83.5120.1177.4174-125.2000110.6L42 L52 L113 P314 D316 A317 F320L42-F115 HydrophobicContact CD1-CD2 3.7Å; L42-F115 HydrophobicContact CD1-CE2 3.63Å; L42-F115 HydrophobicContact CD2-CE2 3.85Å; L42-F115 HydrophobicContact CD2-CZ 4.45Å; L42-F115 HydrophobicContact CG-CE2 4.41Å; L52-F115 HydrophobicContact CD1-CB 4.37Å; L52-F115 HydrophobicContact CD1-CD1 3.72Å; L52-F115 HydrophobicContact CD1-CD2 3.89Å; L52-F115 HydrophobicContact CD1-CE1 3.88Å; L52-F115 HydrophobicContact CD1-CE2 4.06Å; L52-F115 HydrophobicContact CD1-CG 3.72Å; L52-F115 HydrophobicContact CD1-CZ 4.05Å; L113-F115 PolarHBondContact O-N 2.85Å; F115-P314 WeakPolarHBondContact CD1-O 3.45Å; F115-D316 WeakPolarHBondContact CZ-O 3.13Å; F115-A317 HydrophobicContact CZ-CB 4.37Å; F115-F320 HydrophobicContact CE2-CD2 4.32Å; F115-F320 AromaticContact CE2-CE2 3.6Å; F115-F320 HydrophobicContact CE2-CE2 3.6Å; F115-F320 HydrophobicContact CE2-CZ 4.02Å; F115-F320 AromaticContact CZ-CE2 3.97Å; F115-F320 HydrophobicContact CZ-CE2 3.97Å
116I97.1Very high96.2Very high8 Ų821.6 Ų21.64%0.04111%0.105CC..  trans-103.298.2179-52.3-51.8000109.3E114 G118 L166 I167 D168 K174 F320E114-I116 HydrophobicContact CG-CD1 3.66Å; E114-I116 HydrophobicContact CG-CG1 4.34Å; I116-G118 VanDerWaalsContact C-N 3.34Å; I116-G118 PolarHBondContact O-N 2.92Å; I116-L166 HydrophobicContact CB-CB 3.89Å; I116-L166 HydrophobicContact CB-CD1 3.85Å; I116-L166 HydrophobicContact CG1-CB 4.43Å; I116-L166 HydrophobicContact CG1-CD1 4.11Å; I116-L166 HydrophobicContact CG2-CB 3.53Å; I116-L166 HydrophobicContact CG2-CD1 4.45Å; I116-I167 VanDerWaalsContact CG2-C 3.48Å; I116-I167 VanDerWaalsContact CG2-O 3.24Å; I116-I167 WeakPolarHBondContact CG2-O 3.47Å; I116-D168 HydrophobicContact CG2-CB 4.03Å; I116-K174 HydrophobicContact CD1-CB 4.14Å; I116-K174 HydrophobicContact CD1-CD 4.14Å; I116-K174 HydrophobicContact CD1-CG 3.63Å; I116-K174 HydrophobicContact CG1-CB 3.85Å; I116-K174 HydrophobicContact CG1-CG 3.94Å; I116-K174 HydrophobicContact CG2-CB 4.26Å; I116-K174 HydrophobicContact CG2-CG 4.36Å; I116-F320 WeakPolarHBondContact O-CE2 3.47Å; I116-F320 VanDerWaalsContact O-CZ 3.25Å; I116-F320 WeakPolarHBondContact O-CZ 3.4Å
117S94.9Very high96Very high13 Ų1326.9 Ų26.99%0.09112%0.121CC..THydrogen-bonded Turntrans-74-14.6-165.257.10000116.1G119 C311 N319S117-G119 VanDerWaalsContact C-N 3.28Å; S117-G119 PolarHBondContact O-N 2.79Å; S117-C311 PolarHBondContact OG-SG 3.44Å; S117-C311 VanDerWaalsContact OG-SG 3.33Å; S117-N319 PolarHBondContact O-ND2 3.16Å
118G95.7Very high95.8Very high0 Ų030.2 Ų30.20%014%0.137CC..THydrogen-bonded Turntrans-77.9-9.2-177.700000114.5I116 H124 I167 N319I116-G118 VanDerWaalsContact C-N 3.34Å; I116-G118 PolarHBondContact O-N 2.92Å; G118-H124 PolarHBondContact O-NE2 3.21Å; G118-I167 CarbonylContact C-O 3.56Å; G118-I167 WeakPolarHBondContact CA-O 3.46Å; G118-I167 PolarHBondContact N-O 3.31Å; G118-N319 VanDerWaalsContact O-CB 3.27Å; G118-N319 WeakPolarHBondContact O-CB 3.44Å
119G93.6Very high95.7Very high0 Ų031.6 Ų31.60%015%0.153CC..  trans79-169.7178.300000113.5S117 L166 I167S117-G119 VanDerWaalsContact C-N 3.28Å; S117-G119 PolarHBondContact O-N 2.79Å; G119-L166 CarbonylContact O-C 3.42Å; G119-L166 VanDerWaalsContact O-CA 3.31Å; G119-L166 WeakPolarHBondContact O-CA 3.48Å; G119-I167 PolarHBondContact O-N 2.87Å
120E93.9Very high95.7Very high56 Ų5636.8 Ų36.826%0.26217%0.173SC..BIsolated β-bridgetrans-78.2139.6-173.7-62.2175.4-169.700112.7F122 S123 H124 L166E120-F122 HydrophobicContact CB-CB 4.28Å; E120-F122 PolarHBondContact O-N 3.31Å; E120-S123 PolarHBondContact O-N 3.5Å; E120-H124 PolarHBondContact O-CD2 3.15Å; E120-H124 PolarHBondContact O-N 3.28Å; E120-L166 HydrophobicContact CG-CD2 3.86Å
121M96.4Very high95.7Very high0 Ų036.9 Ų36.90%017%0.173CC..Hα-helixtrans-55.5-36.8169.2176.3-174.9-7000110.6S123 H124 L125 F131 Y139 P162 L165 L173 L220 M224M121-S123 PolarHBondContact O-N 3.04Å; M121-H124 PolarHBondContact O-N 3.25Å; M121-L125 WeakPolarHBondContact O-CB 3.48Å; M121-L125 PolarHBondContact O-N 3.32Å; M121-F131 HydrophobicContact CG-CE2 4.03Å; M121-F131 HydrophobicContact CG-CZ 4.36Å; M121-F131 HydrophobicContact SD-CE2 4.29Å; M121-Y139 HydrophobicContact CE-CD1 4.22Å; M121-Y139 HydrophobicContact CE-CD2 3.6Å; M121-Y139 HydrophobicContact CE-CE2 4.12Å; M121-Y139 HydrophobicContact CE-CG 3.67Å; M121-P162 HydrophobicContact CB-CB 4.41Å; M121-P162 HydrophobicContact CG-CB 4.32Å; M121-P162 HydrophobicContact SD-CB 4.45Å; M121-L165 HydrophobicContact CB-CB 4Å; M121-L165 WeakPolarHBondContact CB-O 3.28Å; M121-L165 HydrophobicContact CE-CB 4.36Å; M121-L165 HydrophobicContact CE-CD1 3.88Å; M121-L165 PolarHBondContact N-O 3.32Å; M121-L165 HydrophobicContact SD-CD1 3.89Å; M121-L173 HydrophobicContact CE-CD1 3.77Å; M121-L173 HydrophobicContact CE-CD2 3.38Å; M121-L173 HydrophobicContact CE-CG 4.2Å; M121-L220 HydrophobicContact SD-CD1 4.41Å; M121-M224 HydrophobicContact CE-SD 4.04Å; M121-M224 HydrophobicContact SD-CG 4.14Å; M121-M224 HydrophobicContact SD-SD 3.77Å
122F93.8Very high95.7Very high57 Ų5739.9 Ų39.925%0.2519%0.194CC..Hα-helixtrans-50.9-54.4177.8-176.5-95.7000112.2E120 H124 L125 R126 P162 E163E120-F122 HydrophobicContact CB-CB 4.28Å; E120-F122 PolarHBondContact O-N 3.31Å; F122-H124 VanDerWaalsContact C-N 3.29Å; F122-H124 PolarHBondContact O-N 2.99Å; F122-L125 PolarHBondContact O-N 3.17Å; F122-R126 HydrophobicContact CD1-CG 4.15Å; F122-R126 HydrophobicContact CD2-CG 4.42Å; F122-R126 HydrophobicContact CE1-CG 3.81Å; F122-R126 HydrophobicContact CE2-CG 4.12Å; F122-R126 HydrophobicContact CG-CG 4.44Å; F122-R126 HydrophobicContact CZ-CG 3.8Å; F122-R126 WeakPolarHBondContact O-CB 3.3Å; F122-R126 WeakPolarHBondContact O-CG 3.29Å; F122-R126 PolarHBondContact O-N 3.38Å; F122-P162 HydrophobicContact CB-CB 3.85Å; F122-P162 HydrophobicContact CD2-CB 4.18Å; F122-P162 PolarHBondContact N-O 2.97Å; F122-E163 HydrophobicContact CB-CG 4.03Å; F122-E163 HydrophobicContact CD2-CG 3.88Å; F122-E163 HydrophobicContact CE2-CG 4.48Å; F122-E163 WeakPolarHBondContact CE2-OE1 3.47Å; F122-E163 HydrophobicContact CG-CG 3.92Å
123S92Very high95.7Very high45 Ų4541.4 Ų41.432%0.31520%0.202SC..Hα-helixtrans-59.9-39.5-179.4-610000112.1E120 M121 R127E120-S123 PolarHBondContact O-N 3.5Å; M121-S123 PolarHBondContact O-N 3.04Å; S123-R127 VanDerWaalsContact O-CB 3.25Å; S123-R127 WeakPolarHBondContact O-CB 3.32Å; S123-R127 PolarHBondContact O-N 3.46Å; S123-R127 VanDerWaalsContact O-N 3.13Å
124H93.1Very high95.7Very high4 Ų444.7 Ų44.72%0.01922%0.223CC..Hα-helixtrans-68.9-45.3176.2-65.8-57.9000112.8G118 E120 M121 F122 R127 I128 F131 F307G118-H124 PolarHBondContact O-NE2 3.21Å; E120-H124 PolarHBondContact O-CD2 3.15Å; E120-H124 PolarHBondContact O-N 3.28Å; M121-H124 PolarHBondContact O-N 3.25Å; F122-H124 VanDerWaalsContact C-N 3.29Å; F122-H124 PolarHBondContact O-N 2.99Å; H124-R127 PolarHBondContact ND1-NH2 3.22Å; H124-R127 PolarHBondContact O-N 2.9Å; H124-I128 WeakPolarHBondContact O-CB 3.44Å; H124-I128 WeakPolarHBondContact O-CG1 3.25Å; H124-I128 PolarHBondContact O-N 3.28Å; H124-F131 HydrophobicContact CB-CZ 4.43Å; H124-F307 AromaticContact CD2-CE1 3.91Å; H124-F307 AromaticContact CE1-CE1 3.54Å; H124-F307 AromaticContact CE1-CZ 3.43Å; H124-F307 VanDerWaalsContact CE1-CZ 3.43Å; H124-F307 WeakPolarHBondContact CE1-CZ 3.16Å; H124-F307 AromaticContact CG-CE1 3.84Å; H124-F307 AromaticContact ND1-CE1 3.61Å; H124-F307 AromaticContact ND1-CZ 3.44Å; H124-F307 WeakPolarHBondContact ND1-CZ 3.32Å; H124-F307 AromaticContact NE2-CE1 3.68Å
125L95.4Very high95.7Very high1 Ų143.6 Ų43.61%0.00522%0.218CC..Hα-helixtrans-62.6-47.5-179.9179.559.3000110.8M121 F122 R127 I128 G129 F131 P162 E223M121-L125 WeakPolarHBondContact O-CB 3.48Å; M121-L125 PolarHBondContact O-N 3.32Å; F122-L125 PolarHBondContact O-N 3.17Å; L125-R127 PolarHBondContact O-N 3.42Å; L125-I128 PolarHBondContact O-N 3.21Å; L125-G129 CarbonylContact O-C 3.57Å; L125-G129 WeakPolarHBondContact O-CA 3.29Å; L125-G129 PolarHBondContact O-N 2.97Å; L125-F131 HydrophobicContact CB-CE1 4.39Å; L125-F131 HydrophobicContact CB-CE2 4.28Å; L125-F131 HydrophobicContact CB-CZ 3.91Å; L125-F131 HydrophobicContact CD1-CD1 4.12Å; L125-F131 HydrophobicContact CD1-CD2 4.05Å; L125-F131 HydrophobicContact CD1-CE1 4.13Å; L125-F131 HydrophobicContact CD1-CE2 4.06Å; L125-F131 HydrophobicContact CD1-CG 4.07Å; L125-F131 HydrophobicContact CD1-CZ 4.1Å; L125-P162 HydrophobicContact CD2-CG 4.41Å; L125-E223 HydrophobicContact CD2-CG 4.02Å
126R95.1Very high95.8Very high114 Ų11442.3 Ų42.343%0.4321%0.213SC..Hα-helixtrans-62-41.4177.9-69.1-65.3177.7-144.2-8.9112.2F122 G129 E223 G227F122-R126 HydrophobicContact CD1-CG 4.15Å; F122-R126 HydrophobicContact CD2-CG 4.42Å; F122-R126 HydrophobicContact CE1-CG 3.81Å; F122-R126 HydrophobicContact CE2-CG 4.12Å; F122-R126 HydrophobicContact CG-CG 4.44Å; F122-R126 HydrophobicContact CZ-CG 3.8Å; F122-R126 WeakPolarHBondContact O-CB 3.3Å; F122-R126 WeakPolarHBondContact O-CG 3.29Å; F122-R126 PolarHBondContact O-N 3.38Å; R126-G129 PolarHBondContact O-N 3.43Å; R126-E223 IonicContact CZ-OE1 3.63Å; R126-E223 IonicContact NH1-OE1 3.9Å; R126-E223 IonicContact NH2-OE1 2.78Å; R126-E223 PolarHBondContact NH2-OE1 3.34Å; R126-G227 PolarHBondContact NH1-O 2.93Å
127R93.3Very high95.9Very high163 Ų16343.9 Ų43.962%0.61522%0.218SC*.Hα-helixtrans-67-39.2178.3-174.9175.265.7-153.82.9113.1S123 H124 L125S123-R127 VanDerWaalsContact O-CB 3.25Å; S123-R127 WeakPolarHBondContact O-CB 3.32Å; S123-R127 PolarHBondContact O-N 3.46Å; S123-R127 VanDerWaalsContact O-N 3.13Å; H124-R127 PolarHBondContact ND1-NH2 3.22Å; H124-R127 PolarHBondContact O-N 2.9Å; L125-R127 PolarHBondContact O-N 3.42Å
128I93.8Very high96.1Very high85 Ų8544 Ų4444%0.43622%0.217SC..Hα-helixtrans-82.8-20.2-179.5-66.9165.1000111.1H124 L125 R130 F131H124-I128 WeakPolarHBondContact O-CB 3.44Å; H124-I128 WeakPolarHBondContact O-CG1 3.25Å; H124-I128 PolarHBondContact O-N 3.28Å; L125-I128 PolarHBondContact O-N 3.21Å; I128-R130 VanDerWaalsContact C-N 3.31Å; I128-R130 WeakPolarHBondContact CG2-O 3.46Å; I128-R130 PolarHBondContact O-N 2.69Å; I128-F131 HydrophobicContact CB-CE1 4.48Å; I128-F131 HydrophobicContact CD1-CE1 3.94Å; I128-F131 HydrophobicContact CG2-CD1 4.42Å
129G96.8Very high96.2Very high37 Ų3744 Ų4438%0.38122%0.217SC..SBendtrans89.4-58.3-176.200000111.4L125 R126 G227L125-G129 CarbonylContact O-C 3.57Å; L125-G129 WeakPolarHBondContact O-CA 3.29Å; L125-G129 PolarHBondContact O-N 2.97Å; R126-G129 PolarHBondContact O-N 3.43Å; G129-G227 WeakPolarHBondContact O-CA 3.46Å
130R97.2Very high96.5Very high108 Ų10844 Ų4441%0.40822%0.217SC..  trans-155.2151.8173.968.9-170.4-178.295.9-5.1111.9I128 H253I128-R130 VanDerWaalsContact C-N 3.31Å; I128-R130 WeakPolarHBondContact CG2-O 3.46Å; I128-R130 PolarHBondContact O-N 2.69Å; R130-H253 PolarHBondContact NH1-CD2 3.14Å; R130-H253 PolarHBondContact NH1-NE2 3.23Å
131F98Very high96.7Very high3 Ų341.3 Ų41.31%0.01320%0.204CC..  trans-83.2153.3171.6-61.8-26000111.4M121 H124 L125 I128 H135 S136 Y139 M224M121-F131 HydrophobicContact CG-CE2 4.03Å; M121-F131 HydrophobicContact CG-CZ 4.36Å; M121-F131 HydrophobicContact SD-CE2 4.29Å; H124-F131 HydrophobicContact CB-CZ 4.43Å; L125-F131 HydrophobicContact CB-CE1 4.39Å; L125-F131 HydrophobicContact CB-CE2 4.28Å; L125-F131 HydrophobicContact CB-CZ 3.91Å; L125-F131 HydrophobicContact CD1-CD1 4.12Å; L125-F131 HydrophobicContact CD1-CD2 4.05Å; L125-F131 HydrophobicContact CD1-CE1 4.13Å; L125-F131 HydrophobicContact CD1-CE2 4.06Å; L125-F131 HydrophobicContact CD1-CG 4.07Å; L125-F131 HydrophobicContact CD1-CZ 4.1Å; I128-F131 HydrophobicContact CB-CE1 4.48Å; I128-F131 HydrophobicContact CD1-CE1 3.94Å; I128-F131 HydrophobicContact CG2-CD1 4.42Å; F131-H135 HydrophobicContact CB-CB 4.04Å; F131-H135 AromaticContact CD1-CE1 3.61Å; F131-H135 AromaticContact CD1-ND1 3.66Å; F131-H135 AromaticContact CE1-CE1 3.85Å; F131-H135 AromaticContact CG-CE1 3.98Å; F131-H135 AromaticContact CG-CG 3.96Å; F131-H135 AromaticContact CG-ND1 3.82Å; F131-S136 WeakPolarHBondContact CB-OG 3.43Å; F131-Y139 HydrophobicContact CD2-CD2 4.02Å; F131-Y139 HydrophobicContact CD2-CE2 4.04Å; F131-Y139 AromaticContact CE2-CD2 3.88Å; F131-Y139 HydrophobicContact CE2-CD2 3.88Å; F131-Y139 AromaticContact CE2-CE2 3.65Å; F131-Y139 HydrophobicContact CE2-CE2 3.65Å; F131-Y139 HydrophobicContact CZ-CE2 4.21Å; F131-M224 HydrophobicContact CD2-CB 3.98Å; F131-M224 HydrophobicContact CD2-CG 3.97Å; F131-M224 HydrophobicContact CD2-SD 4.15Å; F131-M224 HydrophobicContact CE2-CG 4.31Å; F131-M224 HydrophobicContact CE2-SD 4.42Å; F131-M224 PolarHBondContact N-O 3.22Å
132S98.2Very high96.8Very high63 Ų6341.3 Ų41.344%0.44120%0.204SC..  trans-67.2162.1167.6700000110.2H135 S136S132-H135 PolarHBondContact O-N 2.98Å; S132-H135 VanDerWaalsContact OG-CB 3.31Å; S132-H135 WeakPolarHBondContact OG-CB 3.48Å; S132-H135 PolarHBondContact OG-N 2.63Å; S132-S136 WeakPolarHBondContact O-CB 3.35Å; S132-S136 PolarHBondContact O-N 2.89Å; S132-S136 PolarHBondContact O-OG 3.14Å
133E98.6Very high97Very high33 Ų3338.6 Ų38.615%0.15419%0.193CC..Hα-helixtrans-61.2-42.9176.4-68-165.7-150.800113.3H135 S136 R137 S255 L258 W289E133-H135 VanDerWaalsContact C-N 3.31Å; E133-H135 PolarHBondContact O-N 3.22Å; E133-S136 PolarHBondContact O-N 3.08Å; E133-R137 VanDerWaalsContact O-CB 3.23Å; E133-R137 WeakPolarHBondContact O-CB 3.38Å; E133-R137 PolarHBondContact O-N 3.25Å; E133-S255 VanDerWaalsContact CD-OG 3.31Å; E133-S255 WeakPolarHBondContact OE1-CB 3.14Å; E133-S255 PolarHBondContact OE1-N 2.79Å; E133-S255 PolarHBondContact OE1-OG 3.03Å; E133-S255 WeakPolarHBondContact OE2-CB 3.37Å; E133-S255 PolarHBondContact OE2-OG 2.79Å; E133-L258 HydrophobicContact CG-CD2 3.86Å; E133-W289 HydrophobicContact CB-CZ2 4.41Å; E133-W289 PolarHBondContact OE2-NE1 2.74Å
134P98.4Very high97.4Very high79 Ų7936.5 Ų36.551%0.51318%0.178SC..Hα-helixtrans-59-40.1173.3-25.935.9000113.5R137 F138P134-R137 PolarHBondContact O-N 3.11Å; P134-F138 PolarHBondContact O-N 3.34Å
135H97.9Very high97.6Very high20 Ų2036.7 Ų36.79%0.09318%0.179CC..Hα-helixtrans-66.3-46.8177.1-172.2169.1000111.3F131 S132 E133 R137 F138 Y139 P306F131-H135 HydrophobicContact CB-CB 4.04Å; F131-H135 AromaticContact CD1-CE1 3.61Å; F131-H135 AromaticContact CD1-ND1 3.66Å; F131-H135 AromaticContact CE1-CE1 3.85Å; F131-H135 AromaticContact CG-CE1 3.98Å; F131-H135 AromaticContact CG-CG 3.96Å; F131-H135 AromaticContact CG-ND1 3.82Å; S132-H135 PolarHBondContact O-N 2.98Å; S132-H135 VanDerWaalsContact OG-CB 3.31Å; S132-H135 WeakPolarHBondContact OG-CB 3.48Å; S132-H135 PolarHBondContact OG-N 2.63Å; E133-H135 VanDerWaalsContact C-N 3.31Å; E133-H135 PolarHBondContact O-N 3.22Å; H135-R137 VanDerWaalsContact C-N 3.28Å; H135-R137 PolarHBondContact O-N 2.93Å; H135-F138 WeakPolarHBondContact O-CB 3.49Å; H135-F138 PolarHBondContact O-N 3.1Å; H135-Y139 AromaticContact CD2-CD2 3.71Å; H135-Y139 AromaticContact CD2-CE2 3.19Å; H135-Y139 WeakPolarHBondContact CD2-CE2 3.23Å; H135-Y139 AromaticContact CD2-CZ 3.74Å; H135-Y139 AromaticContact NE2-CD2 3.98Å; H135-Y139 AromaticContact NE2-CE2 3Å; H135-Y139 WeakPolarHBondContact NE2-CE2 3.38Å; H135-Y139 AromaticContact NE2-CZ 3.35Å; H135-Y139 PolarHBondContact NE2-OH 3.02Å; H135-Y139 VanDerWaalsContact NE2-OH 3.12Å; H135-Y139 PolarHBondContact O-N 2.93Å; H135-P306 HydrophobicContact CB-CB 4.11Å; H135-P306 HydrophobicContact CB-CG 4.24Å; H135-P306 WeakPolarHBondContact CD2-CG 3.11Å
136S98.5Very high97.8Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-59.6-39.7174.6-54.80000111.6F131 S132 E133 Y139 A140 M224F131-S136 WeakPolarHBondContact CB-OG 3.43Å; S132-S136 WeakPolarHBondContact O-CB 3.35Å; S132-S136 PolarHBondContact O-N 2.89Å; S132-S136 PolarHBondContact O-OG 3.14Å; E133-S136 PolarHBondContact O-N 3.08Å; S136-Y139 PolarHBondContact O-N 3.35Å; S136-A140 VanDerWaalsContact O-CB 3.24Å; S136-A140 WeakPolarHBondContact O-CB 3.47Å; S136-A140 PolarHBondContact O-N 3Å; S136-M224 WeakPolarHBondContact O-CE 3.11Å
137R98.8Very high97.9Very high41 Ų4131.2 Ų31.216%0.15516%0.158CC..Hα-helixtrans-65.3-41.8178.5-173.8-171.2-58125.56.5112.3E133 P134 H135 Y139 A140 A141 W289 F290 T293E133-R137 VanDerWaalsContact O-CB 3.23Å; E133-R137 WeakPolarHBondContact O-CB 3.38Å; E133-R137 PolarHBondContact O-N 3.25Å; P134-R137 PolarHBondContact O-N 3.11Å; H135-R137 VanDerWaalsContact C-N 3.28Å; H135-R137 PolarHBondContact O-N 2.93Å; R137-Y139 VanDerWaalsContact C-N 3.31Å; R137-Y139 PolarHBondContact O-N 3.48Å; R137-A140 PolarHBondContact O-N 2.75Å; R137-A141 WeakPolarHBondContact O-CB 3.34Å; R137-A141 PolarHBondContact O-N 3.41Å; R137-W289 HydrophobicContact CB-CE3 4.38Å; R137-W289 HydrophobicContact CB-CH2 3.55Å; R137-W289 HydrophobicContact CB-CZ2 3.89Å; R137-W289 HydrophobicContact CB-CZ3 3.8Å; R137-W289 WeakPolarHBondContact CD-O 3.35Å; R137-W289 HydrophobicContact CG-CE3 4.09Å; R137-W289 HydrophobicContact CG-CH2 4.14Å; R137-W289 HydrophobicContact CG-CZ3 3.85Å; R137-W289 PolarHBondContact NE-O 3.42Å; R137-F290 HydrophobicContact CG-CD1 3.73Å; R137-F290 HydrophobicContact CG-CE1 3.92Å; R137-T293 WeakPolarHBondContact CD-OG1 3.27Å
138F98.7Very high98.1Very high15 Ų1525 Ų257%0.06614%0.136CC..Hα-helixtrans-57-45.4176.4171.4-100.1000111.8P134 H135 Q142 Y172 I298 I303 A305 P306P134-F138 PolarHBondContact O-N 3.34Å; H135-F138 WeakPolarHBondContact O-CB 3.49Å; H135-F138 PolarHBondContact O-N 3.1Å; F138-Q142 VanDerWaalsContact CD1-NE2 3.31Å; F138-Q142 VanDerWaalsContact CZ-NE2 3.33Å; F138-Q142 PolarHBondContact O-NE2 2.82Å; F138-Y172 HydrophobicContact CE2-CD1 4.46Å; F138-Y172 AromaticContact CE2-CE1 3.82Å; F138-Y172 HydrophobicContact CE2-CE1 3.82Å; F138-Y172 HydrophobicContact CE2-CE2 4.34Å; F138-Y172 AromaticContact CE2-CZ 3.74Å; F138-Y172 AromaticContact CZ-CD1 3.86Å; F138-Y172 HydrophobicContact CZ-CD1 3.86Å; F138-Y172 HydrophobicContact CZ-CD2 4.08Å; F138-Y172 AromaticContact CZ-CE1 3.64Å; F138-Y172 HydrophobicContact CZ-CE1 3.64Å; F138-Y172 AromaticContact CZ-CE2 3.85Å; F138-Y172 HydrophobicContact CZ-CE2 3.85Å; F138-Y172 HydrophobicContact CZ-CG 4.08Å; F138-Y172 AromaticContact CZ-CZ 3.62Å; F138-I298 HydrophobicContact CD2-CD1 3.57Å; F138-I298 HydrophobicContact CE2-CD1 3.78Å; F138-I303 HydrophobicContact CD2-CG2 4.01Å; F138-I303 HydrophobicContact CE2-CB 4.18Å; F138-I303 HydrophobicContact CE2-CG2 4.02Å; F138-A305 HydrophobicContact CE1-CB 4.09Å; F138-A305 HydrophobicContact CZ-CB 3.9Å; F138-P306 HydrophobicContact CB-CG 4.27Å; F138-P306 HydrophobicContact CD1-CG 3.73Å; F138-P306 HydrophobicContact CE1-CG 4.34Å; F138-P306 HydrophobicContact CG-CG 4.12Å
139Y98.8Very high98.3Very high0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-71.8-44.4176.4-70-34.6000112.9M121 F131 H135 S136 R137 A141 Q142 I143 G171 L173 M224M121-Y139 HydrophobicContact CE-CD1 4.22Å; M121-Y139 HydrophobicContact CE-CD2 3.6Å; M121-Y139 HydrophobicContact CE-CE2 4.12Å; M121-Y139 HydrophobicContact CE-CG 3.67Å; F131-Y139 HydrophobicContact CD2-CD2 4.02Å; F131-Y139 HydrophobicContact CD2-CE2 4.04Å; F131-Y139 AromaticContact CE2-CD2 3.88Å; F131-Y139 HydrophobicContact CE2-CD2 3.88Å; F131-Y139 AromaticContact CE2-CE2 3.65Å; F131-Y139 HydrophobicContact CE2-CE2 3.65Å; F131-Y139 HydrophobicContact CZ-CE2 4.21Å; H135-Y139 AromaticContact CD2-CD2 3.71Å; H135-Y139 AromaticContact CD2-CE2 3.19Å; H135-Y139 WeakPolarHBondContact CD2-CE2 3.23Å; H135-Y139 AromaticContact CD2-CZ 3.74Å; H135-Y139 AromaticContact NE2-CD2 3.98Å; H135-Y139 AromaticContact NE2-CE2 3Å; H135-Y139 WeakPolarHBondContact NE2-CE2 3.38Å; H135-Y139 AromaticContact NE2-CZ 3.35Å; H135-Y139 PolarHBondContact NE2-OH 3.02Å; H135-Y139 VanDerWaalsContact NE2-OH 3.12Å; H135-Y139 PolarHBondContact O-N 2.93Å; S136-Y139 PolarHBondContact O-N 3.35Å; R137-Y139 VanDerWaalsContact C-N 3.31Å; R137-Y139 PolarHBondContact O-N 3.48Å; Y139-A141 PolarHBondContact O-N 2.98Å; Y139-Q142 WeakPolarHBondContact O-CB 3.24Å; Y139-Q142 PolarHBondContact O-N 2.9Å; Y139-I143 PolarHBondContact O-N 3.31Å; Y139-G171 WeakPolarHBondContact CE1-O 3.22Å; Y139-L173 HydrophobicContact CD1-CD1 3.81Å; Y139-L173 HydrophobicContact CD1-CD2 3.66Å; Y139-L173 HydrophobicContact CD1-CG 3.56Å; Y139-L173 HydrophobicContact CE1-CD2 3.87Å; Y139-L173 HydrophobicContact CE1-CG 4.14Å; Y139-L173 HydrophobicContact CG-CD1 4.06Å; Y139-L173 HydrophobicContact CG-CD2 4.28Å; Y139-L173 HydrophobicContact CG-CG 4.27Å; Y139-M224 HydrophobicContact CD2-SD 4.03Å; Y139-M224 HydrophobicContact CG-SD 4.44Å
140A98.9Very high98.4Very high0 Ų019.3 Ų19.30%010%0.098CC..Hα-helixtrans-58.1-38.1177.200000112.3S136 R137 Q142 I143 V144 L217 I221 M224 W289 F290S136-A140 VanDerWaalsContact O-CB 3.24Å; S136-A140 WeakPolarHBondContact O-CB 3.47Å; S136-A140 PolarHBondContact O-N 3Å; R137-A140 PolarHBondContact O-N 2.75Å; A140-Q142 VanDerWaalsContact C-N 3.28Å; A140-Q142 PolarHBondContact O-N 3.36Å; A140-I143 PolarHBondContact O-N 2.91Å; A140-V144 VanDerWaalsContact O-CG2 3.3Å; A140-V144 WeakPolarHBondContact O-CG2 3.22Å; A140-V144 PolarHBondContact O-N 3.18Å; A140-L217 HydrophobicContact CB-CD1 4.48Å; A140-I221 HydrophobicContact CB-CD1 3.84Å; A140-I221 HydrophobicContact CB-CG1 3.68Å; A140-M224 HydrophobicContact CB-CE 4.35Å; A140-W289 HydrophobicContact CB-CH2 4.33Å; A140-W289 HydrophobicContact CB-CZ3 4.03Å; A140-F290 HydrophobicContact CB-CE1 4.1Å; A140-F290 HydrophobicContact CB-CZ 3.88Å
141A98.8Very high98.4Very high0 Ų015.1 Ų15.10%08%0.083CC..Hα-helixtrans-60.5-38.6177.100000112.1R137 Y139 V144 L145 F290 T293 W295 I298R137-A141 WeakPolarHBondContact O-CB 3.34Å; R137-A141 PolarHBondContact O-N 3.41Å; Y139-A141 PolarHBondContact O-N 2.98Å; A141-V144 PolarHBondContact O-N 3.07Å; A141-L145 WeakPolarHBondContact O-CG 3.27Å; A141-L145 PolarHBondContact O-N 2.83Å; A141-L145 VanDerWaalsContact O-N 3.09Å; A141-F290 HydrophobicContact CB-CE1 4.15Å; A141-T293 HydrophobicContact CB-CG2 3.77Å; A141-W295 HydrophobicContact CB-CE3 4.39Å; A141-W295 HydrophobicContact CB-CH2 4.19Å; A141-W295 HydrophobicContact CB-CZ3 3.79Å; A141-W295 WeakPolarHBondContact O-CZ3 3.48Å; A141-I298 HydrophobicContact CB-CG1 4.35Å; A141-I298 HydrophobicContact CB-CG2 4.26Å
142Q98.8Very high98.4Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-68-42177.4-65.4166.965.700111.4F95 F138 Y139 A140 L145 A146 Y172 L173 I298F95-Q142 HydrophobicContact CB-CB 4.5Å; F95-Q142 HydrophobicContact CD1-CB 4.25Å; F95-Q142 HydrophobicContact CD1-CG 4.1Å; F95-Q142 HydrophobicContact CD2-CB 3.8Å; F95-Q142 HydrophobicContact CD2-CG 4.18Å; F95-Q142 WeakPolarHBondContact CD2-O 3.27Å; F95-Q142 HydrophobicContact CE1-CG 3.94Å; F95-Q142 HydrophobicContact CE2-CB 4.08Å; F95-Q142 HydrophobicContact CE2-CG 4.03Å; F95-Q142 HydrophobicContact CG-CB 3.91Å; F95-Q142 HydrophobicContact CG-CG 4.24Å; F95-Q142 HydrophobicContact CZ-CB 4.43Å; F95-Q142 HydrophobicContact CZ-CG 3.91Å; F138-Q142 VanDerWaalsContact CD1-NE2 3.31Å; F138-Q142 VanDerWaalsContact CZ-NE2 3.33Å; F138-Q142 PolarHBondContact O-NE2 2.82Å; Y139-Q142 WeakPolarHBondContact O-CB 3.24Å; Y139-Q142 PolarHBondContact O-N 2.9Å; A140-Q142 VanDerWaalsContact C-N 3.28Å; A140-Q142 PolarHBondContact O-N 3.36Å; Q142-L145 PolarHBondContact O-N 3.27Å; Q142-A146 WeakPolarHBondContact O-CB 3.45Å; Q142-A146 PolarHBondContact O-N 2.9Å; Q142-Y172 HydrophobicContact CG-CD1 4.36Å; Q142-L173 HydrophobicContact CB-CD1 4.39Å; Q142-I298 HydrophobicContact CG-CG2 3.74Å
143I98.9Very high98.4Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-64.2-40.8175.6-55.5-55000111.3Y139 A140 L145 A146 F147 L160 L165 L173 I175 L217 L220Y139-I143 PolarHBondContact O-N 3.31Å; A140-I143 PolarHBondContact O-N 2.91Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 3.33Å; I143-A146 PolarHBondContact O-N 2.97Å; I143-F147 HydrophobicContact CG2-CD1 4.46Å; I143-F147 HydrophobicContact CG2-CD2 3.91Å; I143-F147 HydrophobicContact CG2-CE1 4.25Å; I143-F147 HydrophobicContact CG2-CE2 3.64Å; I143-F147 HydrophobicContact CG2-CG 4.32Å; I143-F147 HydrophobicContact CG2-CZ 3.85Å; I143-F147 WeakPolarHBondContact O-CB 3.31Å; I143-F147 PolarHBondContact O-N 2.96Å; I143-L160 HydrophobicContact CD1-CD1 4.16Å; I143-L160 HydrophobicContact CG2-CD1 4.01Å; I143-L160 HydrophobicContact CG2-CD2 3.93Å; I143-L165 HydrophobicContact CD1-CD1 4.16Å; I143-L165 HydrophobicContact CD1-CD2 3.62Å; I143-L173 HydrophobicContact CD1-CD1 3.83Å; I143-L173 HydrophobicContact CG1-CD1 4.18Å; I143-I175 HydrophobicContact CD1-CD1 3.74Å; I143-I175 HydrophobicContact CD1-CG1 3.94Å; I143-L217 HydrophobicContact CB-CD1 4Å; I143-L217 HydrophobicContact CG2-CD1 3.84Å; I143-L220 HydrophobicContact CG1-CD2 4.03Å
144V98.8Very high98.3Very high0 Ų013.4 Ų13.40%07%0.071CC..Hα-helixtrans-58.9-44.7175.5168.70000111.3A140 A141 E148 W214 L217 V281 I284 K285 F290 W295A140-V144 VanDerWaalsContact O-CG2 3.3Å; A140-V144 WeakPolarHBondContact O-CG2 3.22Å; A140-V144 PolarHBondContact O-N 3.18Å; A141-V144 PolarHBondContact O-N 3.07Å; V144-E148 WeakPolarHBondContact O-CB 3.22Å; V144-E148 PolarHBondContact O-N 2.91Å; V144-W214 HydrophobicContact CG2-CZ3 4.28Å; V144-L217 HydrophobicContact CG2-CD2 3.54Å; V144-V281 HydrophobicContact CG1-CG2 3.69Å; V144-I284 HydrophobicContact CG1-CG2 4.46Å; V144-I284 HydrophobicContact CG2-CG2 3.81Å; V144-K285 HydrophobicContact CG1-CG 3.86Å; V144-F290 HydrophobicContact CG2-CZ 4.17Å; V144-W295 HydrophobicContact CB-CH2 4.08Å; V144-W295 HydrophobicContact CB-CZ3 3.83Å; V144-W295 HydrophobicContact CG1-CH2 3.82Å; V144-W295 HydrophobicContact CG1-CZ3 3.67Å; V144-W295 HydrophobicContact CG2-CH2 4.39Å
145L98.2Very high98.3Very high9 Ų99.7 Ų9.75%0.0475%0.047CC..Hα-helixtrans-66.4-41.1176.8-69.8172.4000112F93 F95 A141 Q142 I143 E148 Y149 W295 I298F93-L145 HydrophobicContact CE1-CB 4.11Å; F93-L145 HydrophobicContact CZ-CB 4.02Å; F93-L145 WeakPolarHBondContact CZ-O 3.49Å; F95-L145 HydrophobicContact CD2-CB 4.29Å; F95-L145 HydrophobicContact CE2-CB 4.03Å; F95-L145 HydrophobicContact CE2-CD1 3.78Å; F95-L145 HydrophobicContact CZ-CD1 4.49Å; A141-L145 WeakPolarHBondContact O-CG 3.27Å; A141-L145 PolarHBondContact O-N 2.83Å; A141-L145 VanDerWaalsContact O-N 3.09Å; Q142-L145 PolarHBondContact O-N 3.27Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 3.33Å; L145-E148 PolarHBondContact O-N 3.25Å; L145-Y149 WeakPolarHBondContact O-CB 3.24Å; L145-Y149 PolarHBondContact O-N 3.09Å; L145-W295 HydrophobicContact CD1-CE3 4.24Å; L145-W295 HydrophobicContact CD2-CE3 3.94Å; L145-W295 HydrophobicContact CG-CE3 3.91Å; L145-W295 HydrophobicContact CG-CZ3 4.29Å; L145-I298 HydrophobicContact CD1-CB 4.26Å; L145-I298 HydrophobicContact CD1-CG2 3.73Å
146A98.4Very high98.3Very high0 Ų08.8 Ų8.80%04%0.043CC..Hα-helixtrans-64.2-42.2177.100000112.2F93 L96 Q142 I143 Y149 L150 I175F93-A146 HydrophobicContact CD1-CB 4.31Å; F93-A146 HydrophobicContact CE1-CB 4.24Å; L96-A146 HydrophobicContact CD2-CB 3.95Å; Q142-A146 WeakPolarHBondContact O-CB 3.45Å; Q142-A146 PolarHBondContact O-N 2.9Å; I143-A146 PolarHBondContact O-N 2.97Å; A146-Y149 WeakPolarHBondContact O-CB 3.25Å; A146-Y149 PolarHBondContact O-N 3.29Å; A146-L150 WeakPolarHBondContact O-CB 3.49Å; A146-L150 WeakPolarHBondContact O-CG 3.32Å; A146-L150 PolarHBondContact O-N 3.44Å; A146-I175 HydrophobicContact CB-CD1 3.62Å
147F98.7Very high98.3Very high0 Ų08.8 Ų8.80%04%0.043CC..Hα-helixtrans-69.2-40.5175.7-74.4-10.3000112.7I143 Y149 L150 H151 Y157 L160 D213 W214 L217I143-F147 HydrophobicContact CG2-CD1 4.46Å; I143-F147 HydrophobicContact CG2-CD2 3.91Å; I143-F147 HydrophobicContact CG2-CE1 4.25Å; I143-F147 HydrophobicContact CG2-CE2 3.64Å; I143-F147 HydrophobicContact CG2-CG 4.32Å; I143-F147 HydrophobicContact CG2-CZ 3.85Å; I143-F147 WeakPolarHBondContact O-CB 3.31Å; I143-F147 PolarHBondContact O-N 2.96Å; F147-Y149 VanDerWaalsContact C-N 3.26Å; F147-Y149 PolarHBondContact O-N 3.08Å; F147-L150 HydrophobicContact CD1-CD1 4.41Å; F147-L150 PolarHBondContact O-N 2.96Å; F147-H151 WeakPolarHBondContact O-CB 3.44Å; F147-H151 PolarHBondContact O-CD2 2.95Å; F147-H151 PolarHBondContact O-N 2.97Å; F147-Y157 HydrophobicContact CE1-CD1 4.01Å; F147-Y157 HydrophobicContact CE1-CG 4.26Å; F147-Y157 HydrophobicContact CZ-CD1 4.35Å; F147-L160 HydrophobicContact CE2-CD2 3.93Å; F147-L160 HydrophobicContact CZ-CB 4.08Å; F147-L160 HydrophobicContact CZ-CD1 4.14Å; F147-L160 HydrophobicContact CZ-CD2 3.79Å; F147-L160 HydrophobicContact CZ-CG 4.23Å; F147-D213 HydrophobicContact CD2-CB 3.96Å; F147-D213 HydrophobicContact CE1-CB 4.26Å; F147-D213 HydrophobicContact CE2-CB 3.66Å; F147-D213 VanDerWaalsContact CE2-O 3.24Å; F147-D213 WeakPolarHBondContact CE2-O 2.97Å; F147-D213 HydrophobicContact CG-CB 4.39Å; F147-D213 HydrophobicContact CZ-CB 3.8Å; F147-W214 HydrophobicContact CB-CH2 3.56Å; F147-W214 HydrophobicContact CB-CZ2 4.03Å; F147-W214 HydrophobicContact CB-CZ3 3.91Å; F147-W214 HydrophobicContact CD2-CE3 4Å; F147-W214 HydrophobicContact CD2-CH2 4.37Å; F147-W214 AromaticContact CD2-CZ3 3.88Å; F147-W214 HydrophobicContact CD2-CZ3 3.88Å; F147-W214 HydrophobicContact CG-CZ3 4.44Å; F147-L217 HydrophobicContact CE2-CB 4.26Å
148E97.9Very high98.3Very high31 Ų317.5 Ų7.515%0.1454%0.038CC..Hα-helixtrans-55.4-45.8172.1-179.2-178.8-126.700111.2L12 V144 L145 S152 V281 K285L12-E148 HydrophobicContact CD1-CG 4.06Å; V144-E148 WeakPolarHBondContact O-CB 3.22Å; V144-E148 PolarHBondContact O-N 2.91Å; L145-E148 PolarHBondContact O-N 3.25Å; E148-S152 WeakPolarHBondContact O-CB 3.24Å; E148-S152 PolarHBondContact O-N 3.38Å; E148-S152 VanDerWaalsContact O-N 3.1Å; E148-V281 HydrophobicContact CB-CG1 4.45Å; E148-V281 HydrophobicContact CB-CG2 4.29Å; E148-V281 HydrophobicContact CG-CG1 4.01Å; E148-V281 WeakPolarHBondContact OE1-CG1 3.43Å; E148-K285 IonicContact OE1-NZ 3.14Å; E148-K285 PolarHBondContact OE1-NZ 3.44Å; E148-K285 WeakPolarHBondContact OE2-CE 3.33Å; E148-K285 IonicContact OE2-NZ 2.69Å; E148-K285 PolarHBondContact OE2-NZ 2.93Å
149Y98Very high98.2Very high3 Ų37.1 Ų7.11%0.0124%0.037CC..Hα-helixtrans-59.9-58.3174.7170.8-93.5000111.7F11 A15 I91 D92 F93 L96 L145 A146 F147 H151 S152 L153F11-Y149 HydrophobicContact CE1-CD2 4.41Å; A15-Y149 HydrophobicContact CB-CD2 4.32Å; A15-Y149 HydrophobicContact CB-CE2 3.81Å; I91-Y149 WeakPolarHBondContact CA-OH 3.48Å; I91-Y149 HydrophobicContact CB-CE1 4.11Å; I91-Y149 HydrophobicContact CG2-CE1 4.23Å; D92-Y149 PolarHBondContact N-OH 3.35Å; D92-Y149 WeakPolarHBondContact O-CE2 3.36Å; D92-Y149 PolarHBondContact O-OH 3.25Å; F93-Y149 HydrophobicContact CB-CD1 3.84Å; F93-Y149 HydrophobicContact CB-CD2 4.29Å; F93-Y149 HydrophobicContact CB-CE1 3.88Å; F93-Y149 HydrophobicContact CB-CE2 4.27Å; F93-Y149 HydrophobicContact CB-CG 4.08Å; F93-Y149 HydrophobicContact CD1-CG 4.41Å; F93-Y149 HydrophobicContact CD2-CD1 4.13Å; F93-Y149 AromaticContact CD2-CD2 3.36Å; F93-Y149 HydrophobicContact CD2-CD2 3.36Å; F93-Y149 AromaticContact CD2-CE2 3.93Å; F93-Y149 HydrophobicContact CD2-CE2 3.93Å; F93-Y149 AromaticContact CD2-CG 3.47Å; F93-Y149 HydrophobicContact CD2-CG 3.47Å; F93-Y149 VanDerWaalsContact CD2-CG 3.47Å; F93-Y149 AromaticContact CE2-CD2 3.9Å; F93-Y149 HydrophobicContact CE2-CD2 3.9Å; F93-Y149 AromaticContact CE2-CG 3.96Å; F93-Y149 HydrophobicContact CE2-CG 3.96Å; F93-Y149 AromaticContact CG-CD1 3.94Å; F93-Y149 HydrophobicContact CG-CD1 3.94Å; F93-Y149 HydrophobicContact CG-CD2 4.03Å; F93-Y149 HydrophobicContact CG-CE1 4.44Å; F93-Y149 HydrophobicContact CG-CE2 4.46Å; F93-Y149 AromaticContact CG-CG 3.74Å; F93-Y149 HydrophobicContact CG-CG 3.74Å; L96-Y149 HydrophobicContact CD1-CD1 3.79Å; L96-Y149 HydrophobicContact CD1-CE1 3.79Å; L145-Y149 WeakPolarHBondContact O-CB 3.24Å; L145-Y149 PolarHBondContact O-N 3.09Å; A146-Y149 WeakPolarHBondContact O-CB 3.25Å; A146-Y149 PolarHBondContact O-N 3.29Å; F147-Y149 VanDerWaalsContact C-N 3.26Å; F147-Y149 PolarHBondContact O-N 3.08Å; Y149-H151 PolarHBondContact O-N 3.4Å; Y149-S152 WeakPolarHBondContact O-CB 3.3Å; Y149-S152 PolarHBondContact O-N 3.32Å; Y149-S152 VanDerWaalsContact O-N 3.13Å; Y149-S152 PolarHBondContact O-OG 2.92Å; Y149-L153 HydrophobicContact CD1-CD1 4.23Å; Y149-L153 HydrophobicContact CE1-CD1 3.57Å; Y149-L153 HydrophobicContact CE2-CD1 4.16Å; Y149-L153 WeakPolarHBondContact O-CG 3.31Å; Y149-L153 PolarHBondContact O-N 2.81Å
150L98.3Very high98.2Very high1 Ų17.2 Ų7.21%0.0054%0.037CC..Hα-helixtrans-59.1-44.7-177-71.9175.4000112.1I91 L96 A146 F147 S152 L153 D154 L155 F178I91-L150 HydrophobicContact CG2-CD2 4.12Å; L96-L150 HydrophobicContact CD1-CD1 4.48Å; L96-L150 HydrophobicContact CD1-CD2 3.8Å; L96-L150 HydrophobicContact CD1-CG 4.1Å; L96-L150 HydrophobicContact CD2-CD1 4.38Å; A146-L150 WeakPolarHBondContact O-CB 3.49Å; A146-L150 WeakPolarHBondContact O-CG 3.32Å; A146-L150 PolarHBondContact O-N 3.44Å; F147-L150 HydrophobicContact CD1-CD1 4.41Å; F147-L150 PolarHBondContact O-N 2.96Å; L150-S152 VanDerWaalsContact C-N 3.26Å; L150-S152 PolarHBondContact O-N 2.85Å; L150-L153 WeakPolarHBondContact O-CA 3.41Å; L150-L153 WeakPolarHBondContact O-CB 3.45Å; L150-L153 PolarHBondContact O-N 3.33Å; L150-D154 PolarHBondContact O-N 2.61Å; L150-L155 HydrophobicContact CB-CB 4.18Å; L150-L155 HydrophobicContact CD2-CB 4.29Å; L150-L155 HydrophobicContact CD2-CD1 3.71Å; L150-L155 WeakPolarHBondContact O-CB 3.34Å; L150-L155 PolarHBondContact O-N 2.84Å; L150-F178 HydrophobicContact CD1-CE1 4.23Å; L150-F178 HydrophobicContact CD2-CE1 4.03Å
151H97.8Very high98.1Very high20 Ų208.7 Ų8.79%0.0934%0.044CC..Hα-helixtrans-66.5-29.5-179.2-70.2-172.9000111.9F147 Y149 L153 D154 L155 K210 D213 W214F147-H151 WeakPolarHBondContact O-CB 3.44Å; F147-H151 PolarHBondContact O-CD2 2.95Å; F147-H151 PolarHBondContact O-N 2.97Å; Y149-H151 PolarHBondContact O-N 3.4Å; H151-L153 PolarHBondContact O-N 3.42Å; H151-D154 PolarHBondContact O-N 3.35Å; H151-L155 PolarHBondContact CD2-O 3.32Å; H151-K210 HydrophobicContact CB-CD 3.92Å; H151-K210 PolarHBondContact CE1-O 3.12Å; H151-K210 WeakPolarHBondContact O-CE 3.35Å; H151-K210 PolarHBondContact O-NZ 2.56Å; H151-D213 IonicContact CD2-OD2 2.56Å; H151-D213 IonicContact CE1-OD2 2.82Å; H151-D213 IonicContact NE2-OD2 2.79Å; H151-D213 PolarHBondContact NE2-OD2 3.15Å; H151-W214 AromaticContact CE1-CE2 3.76Å; H151-W214 AromaticContact CE1-NE1 3.58Å; H151-W214 AromaticContact ND1-CE2 3.75Å; H151-W214 AromaticContact ND1-CZ2 3.73Å; H151-W214 AromaticContact ND1-NE1 3.51Å
152S96.8Very high98Very high21 Ų218.7 Ų8.715%0.1474%0.044CC..Hα-helixtrans-67.9-18173.984.70000113.6R16 E148 Y149 L150R16-S152 PolarHBondContact NE-O 3.23Å; R16-S152 PolarHBondContact NH2-O 2.85Å; E148-S152 WeakPolarHBondContact O-CB 3.24Å; E148-S152 PolarHBondContact O-N 3.38Å; E148-S152 VanDerWaalsContact O-N 3.1Å; Y149-S152 WeakPolarHBondContact O-CB 3.3Å; Y149-S152 PolarHBondContact O-N 3.32Å; Y149-S152 VanDerWaalsContact O-N 3.13Å; Y149-S152 PolarHBondContact O-OG 2.92Å; L150-S152 VanDerWaalsContact C-N 3.26Å; L150-S152 PolarHBondContact O-N 2.85Å
153L97.7Very high97.8Very high2 Ų211.7 Ų11.71%0.016%0.058CC..THydrogen-bonded Turntrans-99.46.1177.8-55.1178.6000113.1R16 F19 I91 Y149 L150 H151 L155 R183R16-L153 HydrophobicContact CB-CD2 3.98Å; R16-L153 HydrophobicContact CG-CD2 4.14Å; F19-L153 HydrophobicContact CB-CD1 4.03Å; F19-L153 HydrophobicContact CB-CD2 3.74Å; F19-L153 HydrophobicContact CB-CG 4.46Å; F19-L153 HydrophobicContact CD1-CB 4.16Å; F19-L153 HydrophobicContact CD1-CD1 4.41Å; F19-L153 HydrophobicContact CD1-CD2 3.98Å; F19-L153 HydrophobicContact CD1-CG 4.41Å; F19-L153 HydrophobicContact CD2-CD1 3.7Å; F19-L153 HydrophobicContact CE1-CB 4.2Å; F19-L153 HydrophobicContact CE2-CD1 4.28Å; F19-L153 HydrophobicContact CG-CB 4.36Å; F19-L153 HydrophobicContact CG-CD1 3.79Å; F19-L153 HydrophobicContact CG-CD2 3.87Å; F19-L153 HydrophobicContact CG-CG 4.21Å; F19-L153 HydrophobicContact CZ-CB 4.46Å; I91-L153 HydrophobicContact CG2-CD1 4.4Å; Y149-L153 HydrophobicContact CD1-CD1 4.23Å; Y149-L153 HydrophobicContact CE1-CD1 3.57Å; Y149-L153 HydrophobicContact CE2-CD1 4.16Å; Y149-L153 WeakPolarHBondContact O-CG 3.31Å; Y149-L153 PolarHBondContact O-N 2.81Å; L150-L153 WeakPolarHBondContact O-CA 3.41Å; L150-L153 WeakPolarHBondContact O-CB 3.45Å; L150-L153 PolarHBondContact O-N 3.33Å; H151-L153 PolarHBondContact O-N 3.42Å; L153-L155 VanDerWaalsContact C-N 3.25Å; L153-L155 HydrophobicContact CB-CD1 4.03Å; L153-L155 HydrophobicContact CB-CG 4.1Å; L153-L155 HydrophobicContact CD1-CD1 4.17Å; L153-L155 PolarHBondContact O-N 3.36Å; L153-R183 PolarHBondContact O-NE 3.39Å
154D97.7Very high97.7Very high39 Ų3912.2 Ų12.221%0.2096%0.06CC..THydrogen-bonded Turntrans6424.8-171.5-59.9-46.2000114.6L150 H151 R183 V184 K185 K210L150-D154 PolarHBondContact O-N 2.61Å; H151-D154 PolarHBondContact O-N 3.35Å; D154-R183 HydrophobicContact CB-CG 4.24Å; D154-R183 CarbonylContact O-C 3.59Å; D154-R183 VanDerWaalsContact O-CA 3.26Å; D154-R183 WeakPolarHBondContact O-CA 3.38Å; D154-V184 PolarHBondContact O-N 3.19Å; D154-K185 HydrophobicContact CB-CG 4.37Å; D154-K210 IonicContact OD1-NZ 3.78Å; D154-K210 PolarHBondContact OD1-NZ 2.79Å
155L98.4Very high97.6Very high1 Ų112.2 Ų12.21%0.0056%0.06CC..EExtended strand (participates in β ladder)trans-92.3137.6174.7-60.5169.1000110.5F19 I87 I91 L150 H151 L153 K182 R183F19-L155 HydrophobicContact CE2-CD1 3.92Å; F19-L155 HydrophobicContact CZ-CD1 4.16Å; F19-L155 HydrophobicContact CZ-CD2 4.33Å; F19-L155 HydrophobicContact CZ-CG 4.4Å; I87-L155 HydrophobicContact CD1-CD2 3.88Å; I87-L155 HydrophobicContact CG1-CD2 3.83Å; I87-L155 HydrophobicContact CG2-CD1 3.98Å; I87-L155 HydrophobicContact CG2-CD2 4.19Å; I91-L155 HydrophobicContact CG2-CD1 3.68Å; L150-L155 HydrophobicContact CB-CB 4.18Å; L150-L155 HydrophobicContact CD2-CB 4.29Å; L150-L155 HydrophobicContact CD2-CD1 3.71Å; L150-L155 WeakPolarHBondContact O-CB 3.34Å; L150-L155 PolarHBondContact O-N 2.84Å; H151-L155 PolarHBondContact CD2-O 3.32Å; L153-L155 VanDerWaalsContact C-N 3.25Å; L153-L155 HydrophobicContact CB-CD1 4.03Å; L153-L155 HydrophobicContact CB-CG 4.1Å; L153-L155 HydrophobicContact CD1-CD1 4.17Å; L153-L155 PolarHBondContact O-N 3.36Å; L155-K182 WeakPolarHBondContact CA-O 3.35Å; L155-R183 HydrophobicContact CD2-CB 3.71Å; L155-R183 HydrophobicContact CD2-CG 4.1Å
156I98.1Very high97.6Very high1 Ų112.9 Ų12.91%0.0056%0.064CC..EExtended strand (participates in β ladder)trans-111.5133.3165.5-46.6179.3000107R158 A181 K182 V184 K210 V212 D213I156-R158 HydrophobicContact CB-CG 4Å; I156-R158 HydrophobicContact CG2-CG 3.39Å; I156-A181 CarbonylContact O-C 3.53Å; I156-A181 VanDerWaalsContact O-CA 3.24Å; I156-A181 WeakPolarHBondContact O-CA 3.22Å; I156-K182 PolarHBondContact N-O 3.35Å; I156-K182 PolarHBondContact O-N 3.22Å; I156-V184 HydrophobicContact CD1-CG1 3.32Å; I156-V184 HydrophobicContact CG1-CG1 3.78Å; I156-K210 HydrophobicContact CD1-CG 4.34Å; I156-K210 HydrophobicContact CG1-CG 3.79Å; I156-V212 HydrophobicContact CG2-CG2 3.86Å; I156-D213 WeakPolarHBondContact CG2-OD2 3.33Å
157Y98.4Very high97.5Very high1 Ų112.9 Ų12.90%0.0046%0.064CC..  trans-84.5-47.2-174.8179.1-116.3000113.2F147 D159 L160 N164 I175 T176 D177 F178 F180 D213F147-Y157 HydrophobicContact CE1-CD1 4.01Å; F147-Y157 HydrophobicContact CE1-CG 4.26Å; F147-Y157 HydrophobicContact CZ-CD1 4.35Å; Y157-D159 VanDerWaalsContact C-N 3.31Å; Y157-D159 WeakPolarHBondContact CE1-O 3.49Å; Y157-D159 PolarHBondContact O-N 2.72Å; Y157-L160 HydrophobicContact CD1-CB 4.15Å; Y157-L160 HydrophobicContact CE1-CB 4.14Å; Y157-L160 HydrophobicContact CE1-CD1 4.44Å; Y157-N164 WeakPolarHBondContact OH-CB 3.36Å; Y157-I175 HydrophobicContact CD2-CG2 4.39Å; Y157-I175 HydrophobicContact CE1-CG2 3.93Å; Y157-I175 HydrophobicContact CE2-CG2 3.65Å; Y157-I175 WeakPolarHBondContact OH-CG2 3.34Å; Y157-T176 PolarHBondContact OH-O 3.09Å; Y157-D177 WeakPolarHBondContact CE2-O 3.48Å; Y157-D177 PolarHBondContact OH-O 3.03Å; Y157-F178 HydrophobicContact CD2-CD1 4.26Å; Y157-F178 HydrophobicContact CD2-CE1 4.16Å; Y157-F178 HydrophobicContact CD2-CZ 4.39Å; Y157-F178 HydrophobicContact CE2-CD1 4.44Å; Y157-F178 HydrophobicContact CE2-CD2 4.19Å; Y157-F178 HydrophobicContact CE2-CE1 4.45Å; Y157-F178 HydrophobicContact CE2-CE2 4.21Å; Y157-F178 HydrophobicContact CE2-CG 4.32Å; Y157-F178 HydrophobicContact CE2-CZ 4.34Å; Y157-F180 CarbonylContact O-C 3.51Å; Y157-D213 PolarHBondContact N-OD1 3.48Å; Y157-D213 PolarHBondContact N-OD2 2.9Å
158R97.8Very high97.4Very high14 Ų1413.6 Ų13.65%0.0537%0.068CC..  trans68.31.2169.7-52-170.2-68.71664.7118.5I156 F180 C192 Y208 V212 D213I156-R158 HydrophobicContact CB-CG 4Å; I156-R158 HydrophobicContact CG2-CG 3.39Å; R158-F180 HydrophobicContact CB-CB 4.11Å; R158-F180 PolarHBondContact NE-O 3.31Å; R158-F180 PolarHBondContact NH2-O 3.45Å; R158-C192 PolarHBondContact NH1-SG 3.29Å; R158-C192 VanDerWaalsContact NH1-SG 3.45Å; R158-Y208 WeakPolarHBondContact CD-OH 3.35Å; R158-Y208 HydrophobicContact CG-CE2 4.49Å; R158-Y208 PolarHBondContact NH1-OH 3.45Å; R158-V212 HydrophobicContact CG-CG2 4.41Å; R158-D213 PolarHBondContact N-OD1 3.33Å
159D97Very high97.2Very high7 Ų715.7 Ų15.74%0.0379%0.086CC..  trans-141.244.9175.2-151.430.9000113.7Y157 K161 N164 F180 G193 T194Y157-D159 VanDerWaalsContact C-N 3.31Å; Y157-D159 WeakPolarHBondContact CE1-O 3.49Å; Y157-D159 PolarHBondContact O-N 2.72Å; D159-K161 PolarHBondContact O-N 3.45Å; D159-K161 IonicContact OD1-NZ 2.89Å; D159-K161 WeakPolarHBondContact OD2-CE 3.4Å; D159-K161 IonicContact OD2-NZ 3.69Å; D159-K161 PolarHBondContact OD2-NZ 2.61Å; D159-N164 PolarHBondContact O-ND2 3.25Å; D159-N164 PolarHBondContact OD2-ND2 2.91Å; D159-F180 HydrophobicContact CB-CD2 3.79Å; D159-G193 WeakPolarHBondContact OD1-CA 3.15Å; D159-T194 PolarHBondContact OD1-N 3.06Å; D159-T194 PolarHBondContact OD1-OG1 2.94Å
160L98.6Very high97Very high1 Ų118.9 Ų18.91%0.00511%0.105CC..  trans-69122.3173.6-174.573.6000110.1I143 F147 Y157 L165 Y197 A216 L217 L220I143-L160 HydrophobicContact CD1-CD1 4.16Å; I143-L160 HydrophobicContact CG2-CD1 4.01Å; I143-L160 HydrophobicContact CG2-CD2 3.93Å; F147-L160 HydrophobicContact CE2-CD2 3.93Å; F147-L160 HydrophobicContact CZ-CB 4.08Å; F147-L160 HydrophobicContact CZ-CD1 4.14Å; F147-L160 HydrophobicContact CZ-CD2 3.79Å; F147-L160 HydrophobicContact CZ-CG 4.23Å; Y157-L160 HydrophobicContact CD1-CB 4.15Å; Y157-L160 HydrophobicContact CE1-CB 4.14Å; Y157-L160 HydrophobicContact CE1-CD1 4.44Å; L160-L165 HydrophobicContact CD1-CD1 4.25Å; L160-L165 HydrophobicContact CD1-CD2 3.97Å; L160-L165 HydrophobicContact CD1-CG 4.42Å; L160-Y197 WeakPolarHBondContact O-CD1 3.39Å; L160-Y197 WeakPolarHBondContact O-CE1 3.49Å; L160-A216 HydrophobicContact CB-CB 3.95Å; L160-A216 HydrophobicContact CD2-CB 4.24Å; L160-L217 HydrophobicContact CD2-CB 4.35Å; L160-L220 HydrophobicContact CD1-CD2 4.1Å; L160-L220 HydrophobicContact CD2-CB 4.07Å; L160-L220 HydrophobicContact CD2-CD2 3.82Å; L160-L220 HydrophobicContact CG-CD2 4.04Å
161K97.2Very high97Very high32 Ų3218.8 Ų18.814%0.13911%0.105CC..SBendtrans-164.7158.4174.362.3-174.3168.4-160.50109.8D159 E163 N164 L165 T194 Y197D159-K161 PolarHBondContact O-N 3.45Å; D159-K161 IonicContact OD1-NZ 2.89Å; D159-K161 WeakPolarHBondContact OD2-CE 3.4Å; D159-K161 IonicContact OD2-NZ 3.69Å; D159-K161 PolarHBondContact OD2-NZ 2.61Å; K161-E163 VanDerWaalsContact CB-OE2 3.29Å; K161-E163 WeakPolarHBondContact CB-OE2 3.27Å; K161-E163 HydrophobicContact CD-CB 4.23Å; K161-E163 WeakPolarHBondContact CD-OE2 3.34Å; K161-E163 HydrophobicContact CG-CB 4.15Å; K161-E163 VanDerWaalsContact CG-OE2 3.27Å; K161-E163 WeakPolarHBondContact CG-OE2 3.49Å; K161-E163 PolarHBondContact O-N 3.42Å; K161-E163 VanDerWaalsContact O-N 3.14Å; K161-N164 VanDerWaalsContact CE-CG 3.43Å; K161-N164 VanDerWaalsContact CE-ND2 3.29Å; K161-N164 WeakPolarHBondContact CE-ND2 3.24Å; K161-N164 VanDerWaalsContact CE-OD1 3.31Å; K161-N164 WeakPolarHBondContact CE-OD1 3.29Å; K161-N164 HydrophobicContact CG-CB 4.14Å; K161-N164 PolarHBondContact O-N 2.97Å; K161-L165 WeakPolarHBondContact O-CG 3.3Å; K161-T194 HydrophobicContact CD-CG2 4.08Å; K161-T194 VanDerWaalsContact CD-OG1 3.3Å; K161-T194 WeakPolarHBondContact CD-OG1 3.43Å; K161-T194 PolarHBondContact NZ-OG1 2.93Å; K161-Y197 HydrophobicContact CB-CD2 4.02Å; K161-Y197 HydrophobicContact CB-CE2 3.91Å; K161-Y197 HydrophobicContact CB-CG 4.44Å
162P96.9Very high97Very high0 Ų018.1 Ų18.10%010%0.102CC..G310 helixtrans-57.2-27.9-177.8-25.734.3000114.4M121 F122 L125 N164 L165 Y197 L220M121-P162 HydrophobicContact CB-CB 4.41Å; M121-P162 HydrophobicContact CG-CB 4.32Å; M121-P162 HydrophobicContact SD-CB 4.45Å; F122-P162 HydrophobicContact CB-CB 3.85Å; F122-P162 HydrophobicContact CD2-CB 4.18Å; F122-P162 PolarHBondContact N-O 2.97Å; L125-P162 HydrophobicContact CD2-CG 4.41Å; P162-N164 VanDerWaalsContact C-N 3.32Å; P162-L165 PolarHBondContact O-N 2.95Å; P162-Y197 WeakPolarHBondContact CD-OH 3.4Å; P162-L220 HydrophobicContact CG-CD1 3.84Å
163E94.1Very high97.1Very high63 Ų6317.1 Ų17.129%0.29410%0.095SC..G310 helixtrans-67.8-31.6177.7-59.689153.400111.8F122 K161 L165F122-E163 HydrophobicContact CB-CG 4.03Å; F122-E163 HydrophobicContact CD2-CG 3.88Å; F122-E163 HydrophobicContact CE2-CG 4.48Å; F122-E163 WeakPolarHBondContact CE2-OE1 3.47Å; F122-E163 HydrophobicContact CG-CG 3.92Å; K161-E163 VanDerWaalsContact CB-OE2 3.29Å; K161-E163 WeakPolarHBondContact CB-OE2 3.27Å; K161-E163 HydrophobicContact CD-CB 4.23Å; K161-E163 WeakPolarHBondContact CD-OE2 3.34Å; K161-E163 HydrophobicContact CG-CB 4.15Å; K161-E163 VanDerWaalsContact CG-OE2 3.27Å; K161-E163 WeakPolarHBondContact CG-OE2 3.49Å; K161-E163 PolarHBondContact O-N 3.42Å; K161-E163 VanDerWaalsContact O-N 3.14Å; E163-L165 VanDerWaalsContact C-N 3.31Å
164N96.3Very high97.1Very high11 Ų1117.6 Ų17.66%0.05910%0.097CC..G310 helixtrans-91.99.6178.4-70.7-4.5000113.1Y157 D159 K161 P162 T176Y157-N164 WeakPolarHBondContact OH-CB 3.36Å; D159-N164 PolarHBondContact O-ND2 3.25Å; D159-N164 PolarHBondContact OD2-ND2 2.91Å; K161-N164 VanDerWaalsContact CE-CG 3.43Å; K161-N164 VanDerWaalsContact CE-ND2 3.29Å; K161-N164 WeakPolarHBondContact CE-ND2 3.24Å; K161-N164 VanDerWaalsContact CE-OD1 3.31Å; K161-N164 WeakPolarHBondContact CE-OD1 3.29Å; K161-N164 HydrophobicContact CG-CB 4.14Å; K161-N164 PolarHBondContact O-N 2.97Å; P162-N164 VanDerWaalsContact C-N 3.32Å; N164-T176 WeakPolarHBondContact O-CG2 3.48Å; N164-T176 PolarHBondContact O-N 2.92Å
165L98Very high97.2Very high0 Ų015.7 Ų15.70%09%0.087CC..EExtended strand (participates in β ladder)trans-115.3111.7178.2-61.2179.5000109.3M121 I143 L160 K161 P162 E163 I175 L220M121-L165 HydrophobicContact CB-CB 4Å; M121-L165 WeakPolarHBondContact CB-O 3.28Å; M121-L165 HydrophobicContact CE-CB 4.36Å; M121-L165 HydrophobicContact CE-CD1 3.88Å; M121-L165 PolarHBondContact N-O 3.32Å; M121-L165 HydrophobicContact SD-CD1 3.89Å; I143-L165 HydrophobicContact CD1-CD1 4.16Å; I143-L165 HydrophobicContact CD1-CD2 3.62Å; L160-L165 HydrophobicContact CD1-CD1 4.25Å; L160-L165 HydrophobicContact CD1-CD2 3.97Å; L160-L165 HydrophobicContact CD1-CG 4.42Å; K161-L165 WeakPolarHBondContact O-CG 3.3Å; P162-L165 PolarHBondContact O-N 2.95Å; E163-L165 VanDerWaalsContact C-N 3.31Å; L165-I175 HydrophobicContact CD2-CB 4.3Å; L165-I175 HydrophobicContact CD2-CD1 4.49Å; L165-I175 HydrophobicContact CD2-CG1 3.69Å; L165-I175 HydrophobicContact CD2-CG2 4.44Å; L165-L220 HydrophobicContact CD1-CD1 4.02Å; L165-L220 HydrophobicContact CD1-CD2 3.62Å; L165-L220 HydrophobicContact CD1-CG 4.48Å
166L97.1Very high97.1Very high22 Ų2217.1 Ų17.112%0.11510%0.095CC..EExtended strand (participates in β ladder)trans-94149175-56.4176.8000110.3I116 G119 E120 L173 K174 T176I116-L166 HydrophobicContact CB-CB 3.89Å; I116-L166 HydrophobicContact CB-CD1 3.85Å; I116-L166 HydrophobicContact CG1-CB 4.43Å; I116-L166 HydrophobicContact CG1-CD1 4.11Å; I116-L166 HydrophobicContact CG2-CB 3.53Å; I116-L166 HydrophobicContact CG2-CD1 4.45Å; G119-L166 CarbonylContact O-C 3.42Å; G119-L166 VanDerWaalsContact O-CA 3.31Å; G119-L166 WeakPolarHBondContact O-CA 3.48Å; E120-L166 HydrophobicContact CG-CD2 3.86Å; L166-L173 CarbonylContact O-C 3.57Å; L166-L173 WeakPolarHBondContact O-CA 3.46Å; L166-K174 HydrophobicContact CB-CB 4.39Å; L166-K174 PolarHBondContact N-O 2.91Å; L166-K174 PolarHBondContact O-N 3.18Å; L166-T176 HydrophobicContact CD1-CG2 4.04Å; L166-T176 HydrophobicContact CG-CG2 3.97Å
167I97.1Very high96.8Very high0 Ų019.7 Ų19.70%011%0.109CC..EExtended strand (participates in β ladder)trans-103.4125.9173.4-55.6-173.4000108.5I116 G118 G119 Y172 L173 F307 P309I116-I167 VanDerWaalsContact CG2-C 3.48Å; I116-I167 VanDerWaalsContact CG2-O 3.24Å; I116-I167 WeakPolarHBondContact CG2-O 3.47Å; G118-I167 CarbonylContact C-O 3.56Å; G118-I167 WeakPolarHBondContact CA-O 3.46Å; G118-I167 PolarHBondContact N-O 3.31Å; G119-I167 PolarHBondContact O-N 2.87Å; I167-Y172 CarbonylContact C-O 3.57Å; I167-Y172 WeakPolarHBondContact CA-O 3.44Å; I167-L173 HydrophobicContact CG1-CD2 4.07Å; I167-F307 HydrophobicContact CD1-CD1 4.03Å; I167-F307 HydrophobicContact CD1-CE1 4.17Å; I167-F307 HydrophobicContact CG2-CD1 4.47Å; I167-P309 HydrophobicContact CG2-CG 4.11Å
168D95.6Very high96.7Very high16 Ų1619.7 Ų19.79%0.08611%0.109CC..PPolyproline II helixtrans-79.2172175.573.723.9000112.2I116 T170 G171 Y172 K301 P309I116-D168 HydrophobicContact CG2-CB 4.03Å; D168-T170 VanDerWaalsContact CG-OG1 3.3Å; D168-T170 PolarHBondContact O-N 3.08Å; D168-T170 VanDerWaalsContact OD1-CA 3.27Å; D168-T170 WeakPolarHBondContact OD1-CA 3.41Å; D168-T170 WeakPolarHBondContact OD1-CB 3.38Å; D168-T170 PolarHBondContact OD1-N 3.19Å; D168-T170 PolarHBondContact OD1-OG1 3.33Å; D168-T170 PolarHBondContact OD2-OG1 2.84Å; D168-G171 PolarHBondContact O-N 3.07Å; D168-G171 PolarHBondContact OD1-N 2.61Å; D168-G171 VanDerWaalsContact OD1-N 3.1Å; D168-Y172 PolarHBondContact N-O 3.13Å; D168-Y172 PolarHBondContact OD1-N 2.88Å; D168-K301 IonicContact OD2-NZ 3.88Å; D168-K301 PolarHBondContact OD2-NZ 3.25Å; D168-P309 WeakPolarHBondContact O-CD 3.16Å; D168-P309 VanDerWaalsContact O-CG 3.24Å; D168-P309 WeakPolarHBondContact O-CG 3.44Å
169S94.1Very high96.5Very high74 Ų7419.5 Ų19.552%0.51711%0.112SC..THydrogen-bonded Turntrans-64-13.4-179.858.50000114
170T95.3Very high96.3Very high70 Ų7021.9 Ų21.943%0.42912%0.122SC..THydrogen-bonded Turntrans-94.81.9174.869.50000112.6D168 Y172 A305 L308D168-T170 VanDerWaalsContact CG-OG1 3.3Å; D168-T170 PolarHBondContact O-N 3.08Å; D168-T170 VanDerWaalsContact OD1-CA 3.27Å; D168-T170 WeakPolarHBondContact OD1-CA 3.41Å; D168-T170 WeakPolarHBondContact OD1-CB 3.38Å; D168-T170 PolarHBondContact OD1-N 3.19Å; D168-T170 PolarHBondContact OD1-OG1 3.33Å; D168-T170 PolarHBondContact OD2-OG1 2.84Å; T170-Y172 VanDerWaalsContact C-N 3.31Å; T170-A305 VanDerWaalsContact O-CB 3.24Å; T170-A305 WeakPolarHBondContact O-CB 3.43Å; T170-L308 VanDerWaalsContact O-CD2 3.27Å; T170-L308 WeakPolarHBondContact O-CD2 3.38Å
171G97.1Very high96.2Very high0 Ų022 Ų220%012%0.123CC..SBendtrans82.15.7179.800000114.4Y139 D168 F307Y139-G171 WeakPolarHBondContact CE1-O 3.22Å; D168-G171 PolarHBondContact O-N 3.07Å; D168-G171 PolarHBondContact OD1-N 2.61Å; D168-G171 VanDerWaalsContact OD1-N 3.1Å; G171-F307 VanDerWaalsContact CA-O 3.22Å; G171-F307 WeakPolarHBondContact CA-O 3.29Å
172Y98.4Very high96.2Very high5 Ų522.8 Ų22.82%0.0213%0.126CC..  trans-89.7159.4177.6-81.2-100000111.4F95 F138 Q142 I167 D168 T170 K301 I303F95-Y172 HydrophobicContact CD1-CD1 4.36Å; F95-Y172 AromaticContact CE1-CD1 3.69Å; F95-Y172 HydrophobicContact CE1-CD1 3.69Å; F95-Y172 HydrophobicContact CE1-CE1 4.24Å; F138-Y172 HydrophobicContact CE2-CD1 4.46Å; F138-Y172 AromaticContact CE2-CE1 3.82Å; F138-Y172 HydrophobicContact CE2-CE1 3.82Å; F138-Y172 HydrophobicContact CE2-CE2 4.34Å; F138-Y172 AromaticContact CE2-CZ 3.74Å; F138-Y172 AromaticContact CZ-CD1 3.86Å; F138-Y172 HydrophobicContact CZ-CD1 3.86Å; F138-Y172 HydrophobicContact CZ-CD2 4.08Å; F138-Y172 AromaticContact CZ-CE1 3.64Å; F138-Y172 HydrophobicContact CZ-CE1 3.64Å; F138-Y172 AromaticContact CZ-CE2 3.85Å; F138-Y172 HydrophobicContact CZ-CE2 3.85Å; F138-Y172 HydrophobicContact CZ-CG 4.08Å; F138-Y172 AromaticContact CZ-CZ 3.62Å; Q142-Y172 HydrophobicContact CG-CD1 4.36Å; I167-Y172 CarbonylContact C-O 3.57Å; I167-Y172 WeakPolarHBondContact CA-O 3.44Å; D168-Y172 PolarHBondContact N-O 3.13Å; D168-Y172 PolarHBondContact OD1-N 2.88Å; T170-Y172 VanDerWaalsContact C-N 3.31Å; Y172-K301 HydrophobicContact CD1-CB 4.38Å; Y172-K301 HydrophobicContact CD1-CD 4.18Å; Y172-K301 HydrophobicContact CD1-CG 3.8Å; Y172-K301 HydrophobicContact CD2-CB 4.33Å; Y172-K301 HydrophobicContact CD2-CD 4.24Å; Y172-K301 HydrophobicContact CD2-CG 4.33Å; Y172-K301 HydrophobicContact CE1-CB 4Å; Y172-K301 HydrophobicContact CE1-CG 3.82Å; Y172-K301 HydrophobicContact CE2-CB 3.98Å; Y172-K301 HydrophobicContact CE2-CG 4.37Å; Y172-K301 HydrophobicContact CG-CD 3.97Å; Y172-K301 HydrophobicContact CG-CG 4.05Å; Y172-K301 VanDerWaalsContact CZ-CA 3.46Å; Y172-K301 VanDerWaalsContact OH-C 3.25Å; Y172-K301 WeakPolarHBondContact OH-CA 3.2Å; Y172-I303 WeakPolarHBondContact OH-CA 3.28Å; Y172-I303 PolarHBondContact OH-N 2.7Å; Y172-I303 PolarHBondContact OH-O 2.73Å
173L98.3Very high96.2Very high0 Ų026.6 Ų26.60%014%0.141CC..EExtended strand (participates in β ladder)trans-82.7149.9-179.6-62.4-177.9000112.9F95 M121 Y139 Q142 I143 L166 I167F95-L173 VanDerWaalsContact CA-O 3.32Å; F95-L173 WeakPolarHBondContact CA-O 3.32Å; M121-L173 HydrophobicContact CE-CD1 3.77Å; M121-L173 HydrophobicContact CE-CD2 3.38Å; M121-L173 HydrophobicContact CE-CG 4.2Å; Y139-L173 HydrophobicContact CD1-CD1 3.81Å; Y139-L173 HydrophobicContact CD1-CD2 3.66Å; Y139-L173 HydrophobicContact CD1-CG 3.56Å; Y139-L173 HydrophobicContact CE1-CD2 3.87Å; Y139-L173 HydrophobicContact CE1-CG 4.14Å; Y139-L173 HydrophobicContact CG-CD1 4.06Å; Y139-L173 HydrophobicContact CG-CD2 4.28Å; Y139-L173 HydrophobicContact CG-CG 4.27Å; Q142-L173 HydrophobicContact CB-CD1 4.39Å; I143-L173 HydrophobicContact CD1-CD1 3.83Å; I143-L173 HydrophobicContact CG1-CD1 4.18Å; L166-L173 CarbonylContact O-C 3.57Å; L166-L173 WeakPolarHBondContact O-CA 3.46Å; I167-L173 HydrophobicContact CG1-CD2 4.07Å
174K98.4Very high96.2Very high12 Ų1224.8 Ų24.85%0.05213%0.134CC..EExtended strand (participates in β ladder)trans-132.2109.2165.3-74.1-79.6-175.8167.90108.4P94 F95 L96 E114 I116 L166 T176P94-K174 VanDerWaalsContact O-CE 3.27Å; P94-K174 WeakPolarHBondContact O-CE 3.46Å; P94-K174 PolarHBondContact O-NZ 3.34Å; F95-K174 CarbonylContact O-C 3.59Å; F95-K174 WeakPolarHBondContact O-CA 3.41Å; L96-K174 WeakPolarHBondContact O-CD 3.42Å; L96-K174 PolarHBondContact O-NZ 2.73Å; E114-K174 WeakPolarHBondContact OE1-CE 3.39Å; E114-K174 IonicContact OE1-NZ 2.63Å; E114-K174 PolarHBondContact OE1-NZ 2.8Å; E114-K174 IonicContact OE2-NZ 3.56Å; E114-K174 PolarHBondContact OE2-NZ 3.34Å; I116-K174 HydrophobicContact CD1-CB 4.14Å; I116-K174 HydrophobicContact CD1-CD 4.14Å; I116-K174 HydrophobicContact CD1-CG 3.63Å; I116-K174 HydrophobicContact CG1-CB 3.85Å; I116-K174 HydrophobicContact CG1-CG 3.94Å; I116-K174 HydrophobicContact CG2-CB 4.26Å; I116-K174 HydrophobicContact CG2-CG 4.36Å; L166-K174 HydrophobicContact CB-CB 4.39Å; L166-K174 PolarHBondContact N-O 2.91Å; L166-K174 PolarHBondContact O-N 3.18Å; K174-T176 PolarHBondContact O-N 2.72Å
175I98.5Very high96.1Very high0 Ų032.8 Ų32.80%017%0.168CC..EExtended strand (participates in β ladder)trans-69127.4172.2-54.2-176.1000107.9F95 L96 V97 I143 A146 Y157 L165 F178F95-I175 WeakPolarHBondContact O-CG1 3.3Å; F95-I175 PolarHBondContact O-N 2.59Å; L96-I175 HydrophobicContact CD2-CB 3.74Å; L96-I175 HydrophobicContact CD2-CD1 3.75Å; L96-I175 HydrophobicContact CD2-CG1 3.98Å; L96-I175 HydrophobicContact CD2-CG2 4.46Å; V97-I175 WeakPolarHBondContact CB-O 3.27Å; V97-I175 WeakPolarHBondContact CG1-O 3.41Å; V97-I175 PolarHBondContact N-O 2.79Å; I143-I175 HydrophobicContact CD1-CD1 3.74Å; I143-I175 HydrophobicContact CD1-CG1 3.94Å; A146-I175 HydrophobicContact CB-CD1 3.62Å; Y157-I175 HydrophobicContact CD2-CG2 4.39Å; Y157-I175 HydrophobicContact CE1-CG2 3.93Å; Y157-I175 HydrophobicContact CE2-CG2 3.65Å; Y157-I175 WeakPolarHBondContact OH-CG2 3.34Å; L165-I175 HydrophobicContact CD2-CB 4.3Å; L165-I175 HydrophobicContact CD2-CD1 4.49Å; L165-I175 HydrophobicContact CD2-CG1 3.69Å; L165-I175 HydrophobicContact CD2-CG2 4.44Å; I175-F178 HydrophobicContact CG2-CE2 4.29Å
176T96.2Very high95.9Very high30 Ų3034.9 Ų34.918%0.18419%0.19CC..  trans-117.1-174.4176.4-167.20000110.8Y157 N164 L166 K174Y157-T176 PolarHBondContact OH-O 3.09Å; N164-T176 WeakPolarHBondContact O-CG2 3.48Å; N164-T176 PolarHBondContact O-N 2.92Å; L166-T176 HydrophobicContact CD1-CG2 4.04Å; L166-T176 HydrophobicContact CG-CG2 3.97Å; K174-T176 PolarHBondContact O-N 2.72Å
177D93.2Very high95.8Very high55 Ų5541.7 Ų41.729%0.29421%0.214SC..  trans50.387.9177.7-159.8-6000115K65 Y157 G179K65-D177 IonicContact NZ-OD1 3.57Å; Y157-D177 WeakPolarHBondContact CE2-O 3.48Å; Y157-D177 PolarHBondContact OH-O 3.03Å; D177-G179 VanDerWaalsContact C-N 3.3Å; D177-G179 PolarHBondContact OD1-N 3.06Å; D177-G179 VanDerWaalsContact OD1-N 3.15Å
178F95.9Very high95.8Very high1 Ų142.1 Ų42.10%0.00422%0.217CC..  trans-9619.7177.9-79.7-110.7000111.8E84 I87 L88 I91 L96 L150 Y157 I175 F180 A181E84-F178 HydrophobicContact CG-CB 4.09Å; I87-F178 HydrophobicContact CG2-CD1 3.7Å; I87-F178 HydrophobicContact CG2-CE1 4.2Å; L88-F178 HydrophobicContact CD1-CB 4.43Å; L88-F178 HydrophobicContact CD2-CB 4.15Å; L88-F178 HydrophobicContact CD2-CD2 3.55Å; L88-F178 HydrophobicContact CD2-CE2 4.08Å; L88-F178 HydrophobicContact CD2-CG 3.88Å; L88-F178 HydrophobicContact CG-CB 4.01Å; L88-F178 HydrophobicContact CG-CD2 4.35Å; L88-F178 HydrophobicContact CG-CG 4.23Å; I91-F178 HydrophobicContact CD1-CD1 4.12Å; I91-F178 HydrophobicContact CD1-CE1 3.49Å; I91-F178 VanDerWaalsContact CD1-CE1 3.49Å; I91-F178 HydrophobicContact CD1-CE2 4.12Å; I91-F178 HydrophobicContact CD1-CZ 3.48Å; I91-F178 VanDerWaalsContact CD1-CZ 3.48Å; L96-F178 HydrophobicContact CD1-CZ 4.33Å; L96-F178 HydrophobicContact CD2-CZ 4.02Å; L150-F178 HydrophobicContact CD1-CE1 4.23Å; L150-F178 HydrophobicContact CD2-CE1 4.03Å; Y157-F178 HydrophobicContact CD2-CD1 4.26Å; Y157-F178 HydrophobicContact CD2-CE1 4.16Å; Y157-F178 HydrophobicContact CD2-CZ 4.39Å; Y157-F178 HydrophobicContact CE2-CD1 4.44Å; Y157-F178 HydrophobicContact CE2-CD2 4.19Å; Y157-F178 HydrophobicContact CE2-CE1 4.45Å; Y157-F178 HydrophobicContact CE2-CE2 4.21Å; Y157-F178 HydrophobicContact CE2-CG 4.32Å; Y157-F178 HydrophobicContact CE2-CZ 4.34Å; I175-F178 HydrophobicContact CG2-CE2 4.29Å; F178-F180 PolarHBondContact O-N 2.81Å; F178-A181 HydrophobicContact CB-CB 3.91Å; F178-A181 HydrophobicContact CD1-CB 3.57Å; F178-A181 HydrophobicContact CG-CB 4.16Å; F178-A181 WeakPolarHBondContact O-CB 3.35Å; F178-A181 PolarHBondContact O-N 3.17Å
179G92.9Very high95.8Very high11 Ų1149.5 Ų49.511%0.11324%0.244CC..THydrogen-bonded Turntrans-57.4-31.1-177.900000114.3D177D177-G179 VanDerWaalsContact C-N 3.3Å; D177-G179 PolarHBondContact OD1-N 3.06Å; D177-G179 VanDerWaalsContact OD1-N 3.15Å
180F93.9Very high95.8Very high57 Ų5748.4 Ų48.425%0.2523%0.233CC..THydrogen-bonded Turntrans-102.63.3173.1-57.9-33000113.5Y157 R158 D159 F178 C192Y157-F180 CarbonylContact O-C 3.51Å; R158-F180 HydrophobicContact CB-CB 4.11Å; R158-F180 PolarHBondContact NE-O 3.31Å; R158-F180 PolarHBondContact NH2-O 3.45Å; D159-F180 HydrophobicContact CB-CD2 3.79Å; F178-F180 PolarHBondContact O-N 2.81Å; F180-C192 HydrophobicContact CD1-CB 4.05Å; F180-C192 HydrophobicContact CD2-CB 4.17Å; F180-C192 HydrophobicContact CE1-CB 4.24Å; F180-C192 HydrophobicContact CE2-CB 4.39Å; F180-C192 HydrophobicContact CG-CB 4.04Å; F180-C192 HydrophobicContact CZ-CB 4.43Å
181A96.4Very high95.7Very high2 Ų250.5 Ų50.52%0.01724%0.241CC..  trans-65.7142.217700000110.7I87 I156 F178I87-A181 VanDerWaalsContact CD1-C 3.45Å; I87-A181 HydrophobicContact CD1-CB 3.57Å; I87-A181 WeakPolarHBondContact CD1-O 3.46Å; I87-A181 HydrophobicContact CG2-CB 4.44Å; I156-A181 CarbonylContact O-C 3.53Å; I156-A181 VanDerWaalsContact O-CA 3.24Å; I156-A181 WeakPolarHBondContact O-CA 3.22Å; F178-A181 HydrophobicContact CB-CB 3.91Å; F178-A181 HydrophobicContact CD1-CB 3.57Å; F178-A181 HydrophobicContact CG-CB 4.16Å; F178-A181 WeakPolarHBondContact O-CB 3.35Å; F178-A181 PolarHBondContact O-N 3.17Å
182K95.9Very high95.5Very high50 Ų5051 Ų5122%0.21725%0.245CC..EExtended strand (participates in β ladder)trans-145.4134.4-180-173167.8-170.4155.60111.9E79 L155 I156E79-K182 IonicContact OE1-NZ 3.11Å; L155-K182 WeakPolarHBondContact CA-O 3.35Å; I156-K182 PolarHBondContact N-O 3.35Å; I156-K182 PolarHBondContact O-N 3.22Å
183R96.8Very high95.2Very high79 Ų7951.9 Ų51.930%0.29826%0.256SS..EExtended strand (participates in β ladder)trans-81.8114.1168.8-162.6178.3-178.9-164.1-1.9110.3W23 L153 D154 L155W23-R183 HydrophobicContact CH2-CB 4.03Å; W23-R183 HydrophobicContact CZ2-CB 4.19Å; L153-R183 PolarHBondContact O-NE 3.39Å; D154-R183 HydrophobicContact CB-CG 4.24Å; D154-R183 CarbonylContact O-C 3.59Å; D154-R183 VanDerWaalsContact O-CA 3.26Å; D154-R183 WeakPolarHBondContact O-CA 3.38Å; L155-R183 HydrophobicContact CD2-CB 3.71Å; L155-R183 HydrophobicContact CD2-CG 4.1Å
184V95.8Very high95Very high25 Ų2553 Ų5315%0.15226%0.263CS..  trans-152.3128.6-178.858.50000111.2D154 I156D154-V184 PolarHBondContact O-N 3.19Å; I156-V184 HydrophobicContact CD1-CG1 3.32Å; I156-V184 HydrophobicContact CG1-CG1 3.78Å
185K93.1Very high95Very high179 Ų17954 Ų5478%0.77827%0.27SS*.SBendtrans-81.4-28.7176.9-67.7-174.1176-1780113.5D154D154-K185 HydrophobicContact CB-CG 4.37Å
186G94.3Very high94.9Very high45 Ų4556.8 Ų56.846%0.46428%0.283SS..SBendtrans-110.1-132.5-174.900000112.8
187R95.7Very high95.1Very high165 Ų16556 Ų5662%0.62328%0.277SS*.  trans-98.2156.4177-68.2179.4178.2-177.20.6111.7W189 G207 Y208R187-W189 HydrophobicContact CB-CH2 3.93Å; R187-W189 HydrophobicContact CB-CZ2 4.2Å; R187-W189 HydrophobicContact CB-CZ3 4.3Å; R187-W189 VanDerWaalsContact O-CZ3 3.28Å; R187-W189 WeakPolarHBondContact O-CZ3 3.35Å; R187-G207 WeakPolarHBondContact CD-O 3.41Å; R187-Y208 CarbonylContact C-O 3.57Å; R187-Y208 WeakPolarHBondContact CA-O 3.5Å
188T96.1Very high95.3Very high8 Ų853.7 Ų53.75%0.04926%0.264CS..BIsolated β-bridgetrans-132.3168167.2-164.20000110.2G207 Y208T188-G207 WeakPolarHBondContact O-CA 3.32Å; T188-Y208 HydrophobicContact CG2-CD2 3.88Å; T188-Y208 HydrophobicContact CG2-CE1 4.05Å; T188-Y208 HydrophobicContact CG2-CE2 3.29Å; T188-Y208 HydrophobicContact CG2-CG 4.47Å; T188-Y208 VanDerWaalsContact CG2-CZ 3.4Å; T188-Y208 PolarHBondContact N-O 2.89Å; T188-Y208 VanDerWaalsContact O-CD1 3.27Å; T188-Y208 WeakPolarHBondContact O-CD1 3.35Å; T188-Y208 PolarHBondContact O-N 2.87Å
189W96.6Very high95.4Very high172 Ų17253.7 Ų53.765%0.65227%0.265SS*.  trans-132.3-4.4-169.1-70.4-97.7000114.2R187 L191R187-W189 HydrophobicContact CB-CH2 3.93Å; R187-W189 HydrophobicContact CB-CZ2 4.2Å; R187-W189 HydrophobicContact CB-CZ3 4.3Å; R187-W189 VanDerWaalsContact O-CZ3 3.28Å; R187-W189 WeakPolarHBondContact O-CZ3 3.35Å; W189-L191 PolarHBondContact O-N 2.78Å
190T92.6Very high95.7Very high50 Ų5053.2 Ų53.231%0.30726%0.26SS..  trans-64.2123-176.4-49.40000110.4C192 Y208T190-C192 HydrophobicContact CG2-CB 4.22Å; T190-C192 PolarHBondContact O-N 3.47Å; T190-Y208 WeakPolarHBondContact O-CE1 3.43Å; T190-Y208 PolarHBondContact O-OH 2.95Å
191L93.6Very high95.9Very high114 Ų11450.9 Ų50.960%0.59725%0.25SC*.  trans-72.7105.6167.5178.262.3000108.5W189 L198 I202W189-L191 PolarHBondContact O-N 2.78Å; L191-L198 HydrophobicContact CD1-CD1 4.25Å; L191-I202 HydrophobicContact CD1-CG2 3.62Å
192C93Very high95.9Very high12 Ų1251.2 Ų51.28%0.08125%0.251CS..  trans-154.7163.2-179.459.40000109.8R158 F180 T190 L198R158-C192 PolarHBondContact NH1-SG 3.29Å; R158-C192 VanDerWaalsContact NH1-SG 3.45Å; F180-C192 HydrophobicContact CD1-CB 4.05Å; F180-C192 HydrophobicContact CD2-CB 4.17Å; F180-C192 HydrophobicContact CE1-CB 4.24Å; F180-C192 HydrophobicContact CE2-CB 4.39Å; F180-C192 HydrophobicContact CG-CB 4.04Å; F180-C192 HydrophobicContact CZ-CB 4.43Å; T190-C192 HydrophobicContact CG2-CB 4.22Å; T190-C192 PolarHBondContact O-N 3.47Å; C192-L198 WeakPolarHBondContact O-CD2 3.42Å
193G93.2Very high96Very high23 Ų2350.4 Ų50.424%0.23725%0.249CC..SBendtrans109.3-174.2-17300000112.2D159D159-G193 WeakPolarHBondContact OD1-CA 3.15Å
194T94.1Very high96Very high24 Ų2450.4 Ų50.415%0.14725%0.254CS..  trans-103.2135.4-175.3-570000110.5D159 K161 E196 Y197 L198D159-T194 PolarHBondContact OD1-N 3.06Å; D159-T194 PolarHBondContact OD1-OG1 2.94Å; K161-T194 HydrophobicContact CD-CG2 4.08Å; K161-T194 VanDerWaalsContact CD-OG1 3.3Å; K161-T194 WeakPolarHBondContact CD-OG1 3.43Å; K161-T194 PolarHBondContact NZ-OG1 2.93Å; T194-E196 VanDerWaalsContact C-N 3.35Å; T194-E196 PolarHBondContact O-N 3.29Å; T194-E196 VanDerWaalsContact O-N 3.14Å; T194-Y197 PolarHBondContact O-N 3.25Å; T194-L198 WeakPolarHBondContact O-CG 3.4Å; T194-L198 PolarHBondContact O-N 3.46Å
195P96.9Very high96Very high33 Ų3353.7 Ų53.721%0.21428%0.278CS..G310 helixtrans-49-45.9-165.8-3236.9000116.1Y197 L198 P236 I239 Y240 I243P195-Y197 PolarHBondContact O-N 3.02Å; P195-L198 PolarHBondContact O-N 3.02Å; P195-P236 HydrophobicContact CB-CB 4.38Å; P195-P236 HydrophobicContact CG-CB 4.37Å; P195-I239 HydrophobicContact CB-CD1 4.34Å; P195-Y240 HydrophobicContact CB-CE1 3.83Å; P195-I243 VanDerWaalsContact O-CD1 3.31Å; P195-I243 WeakPolarHBondContact O-CD1 3.35Å
196E97.9Very high96.1Very high58 Ų5851 Ų5127%0.27127%0.267SS..G310 helixtrans-66-24.8-177.8-65.883.3171.200113T194 V219 P229 I239T194-E196 VanDerWaalsContact C-N 3.35Å; T194-E196 PolarHBondContact O-N 3.29Å; T194-E196 VanDerWaalsContact O-N 3.14Å; E196-V219 WeakPolarHBondContact O-CG1 3.38Å; E196-P229 HydrophobicContact CB-CB 4.29Å; E196-P229 HydrophobicContact CB-CG 4.47Å; E196-P229 HydrophobicContact CG-CB 4.45Å; E196-P229 HydrophobicContact CG-CG 4.09Å; E196-I239 HydrophobicContact CG-CD1 4.2Å
197Y98.5Very high96.2Very high13 Ų1349.4 Ų49.45%0.05125%0.25CC..G310 helixtrans-102.4-6.7-173.7-76.1-94.5000113.5L160 K161 P162 T194 P195 A199 A216 V219 L220 E223L160-Y197 WeakPolarHBondContact O-CD1 3.39Å; L160-Y197 WeakPolarHBondContact O-CE1 3.49Å; K161-Y197 HydrophobicContact CB-CD2 4.02Å; K161-Y197 HydrophobicContact CB-CE2 3.91Å; K161-Y197 HydrophobicContact CB-CG 4.44Å; P162-Y197 WeakPolarHBondContact CD-OH 3.4Å; T194-Y197 PolarHBondContact O-N 3.25Å; P195-Y197 PolarHBondContact O-N 3.02Å; Y197-A199 PolarHBondContact O-N 3.33Å; Y197-A216 HydrophobicContact CD1-CB 4.21Å; Y197-V219 HydrophobicContact CD1-CB 3.69Å; Y197-V219 HydrophobicContact CD1-CG1 3.54Å; Y197-V219 HydrophobicContact CD2-CG1 4.14Å; Y197-V219 HydrophobicContact CE1-CB 3.77Å; Y197-V219 HydrophobicContact CE1-CG1 3.47Å; Y197-V219 VanDerWaalsContact CE1-CG1 3.47Å; Y197-V219 HydrophobicContact CE2-CG1 4.03Å; Y197-V219 HydrophobicContact CG-CB 4.39Å; Y197-V219 HydrophobicContact CG-CG1 3.89Å; Y197-L220 HydrophobicContact CE1-CB 4Å; Y197-L220 HydrophobicContact CE1-CD1 4.47Å; Y197-E223 PolarHBondContact OH-OE2 2.87Å
198L98.3Very high96.3Very high6 Ų641.7 Ų41.73%0.03122%0.221CC..  trans-64.1134.2-180-66.3-174.4000111.6L191 C192 T194 P195 I202 I203 W215 Y240L191-L198 HydrophobicContact CD1-CD1 4.25Å; C192-L198 WeakPolarHBondContact O-CD2 3.42Å; T194-L198 WeakPolarHBondContact O-CG 3.4Å; T194-L198 PolarHBondContact O-N 3.46Å; P195-L198 PolarHBondContact O-N 3.02Å; L198-I202 HydrophobicContact CD2-CD1 4.31Å; L198-I202 HydrophobicContact CD2-CG2 4.24Å; L198-I203 HydrophobicContact CB-CD1 4.08Å; L198-I203 HydrophobicContact CB-CG1 3.96Å; L198-I203 HydrophobicContact CD1-CG1 4.18Å; L198-W215 PolarHBondContact O-NE1 3.18Å; L198-W215 VanDerWaalsContact O-NE1 3.09Å; L198-Y240 HydrophobicContact CD1-CE1 3.76Å
199A98.4Very high96.3Very high1 Ų143.6 Ų43.61%0.00823%0.231CC..  trans-75.7150171.400000111Y197 E201 I202 I203 V212 W215Y197-A199 PolarHBondContact O-N 3.33Å; A199-E201 VanDerWaalsContact CB-CD 3.5Å; A199-E201 HydrophobicContact CB-CG 4.36Å; A199-E201 WeakPolarHBondContact CB-OE1 3.46Å; A199-E201 PolarHBondContact O-N 2.8Å; A199-E201 VanDerWaalsContact O-N 3.15Å; A199-I202 HydrophobicContact CB-CD1 4.46Å; A199-I202 HydrophobicContact CB-CG1 4.46Å; A199-I202 WeakPolarHBondContact O-CB 3.32Å; A199-I202 PolarHBondContact O-N 2.93Å; A199-I203 PolarHBondContact O-N 2.81Å; A199-V212 HydrophobicContact CB-CB 4.03Å; A199-V212 HydrophobicContact CB-CG1 3.89Å; A199-W215 HydrophobicContact CB-CB 3.93Å; A199-W215 HydrophobicContact CB-CD2 4.31Å; A199-W215 HydrophobicContact CB-CG 3.78Å
200P98.3Very high96.3Very high2 Ų237.8 Ų37.81%0.01321%0.21CC..Hα-helixtrans-54.7-37.3-178.2-24.831.3000113.6I202 I203 L204 W215 I243 V268P200-I202 VanDerWaalsContact C-N 3.31Å; P200-I202 PolarHBondContact O-N 3.42Å; P200-I203 PolarHBondContact O-N 3.08Å; P200-L204 WeakPolarHBondContact O-CB 3.48Å; P200-L204 VanDerWaalsContact O-CG 3.23Å; P200-L204 WeakPolarHBondContact O-CG 3.5Å; P200-L204 PolarHBondContact O-N 3.15Å; P200-W215 HydrophobicContact CG-CE3 4.28Å; P200-W215 HydrophobicContact CG-CH2 3.58Å; P200-W215 HydrophobicContact CG-CZ2 3.98Å; P200-W215 HydrophobicContact CG-CZ3 3.73Å; P200-I243 HydrophobicContact CB-CG2 4.32Å; P200-I243 HydrophobicContact CG-CG2 3.79Å; P200-V268 HydrophobicContact CB-CG1 4.18Å; P200-V268 HydrophobicContact CG-CB 4.49Å; P200-V268 HydrophobicContact CG-CG1 4.24Å; P200-V268 HydrophobicContact CG-CG2 4.11Å
201E98Very high96.6Very high8 Ų835.5 Ų35.54%0.03720%0.196CC..Hα-helixtrans-66.3-28.417961.7-87.5-158.400114A199 S205 K206 V212 L270 R273A199-E201 VanDerWaalsContact CB-CD 3.5Å; A199-E201 HydrophobicContact CB-CG 4.36Å; A199-E201 WeakPolarHBondContact CB-OE1 3.46Å; A199-E201 PolarHBondContact O-N 2.8Å; A199-E201 VanDerWaalsContact O-N 3.15Å; E201-S205 PolarHBondContact O-N 3.02Å; E201-K206 HydrophobicContact CB-CB 4.25Å; E201-K206 WeakPolarHBondContact O-CB 3.32Å; E201-K206 PolarHBondContact O-N 2.89Å; E201-V212 HydrophobicContact CG-CG1 4.12Å; E201-V212 WeakPolarHBondContact OE1-CG1 3.43Å; E201-L270 WeakPolarHBondContact OE1-CD2 3.47Å; E201-R273 IonicContact OE1-CZ 3.35Å; E201-R273 IonicContact OE1-NH1 3.08Å; E201-R273 PolarHBondContact OE1-NH1 3.24Å; E201-R273 IonicContact OE1-NH2 3.55Å; E201-R273 IonicContact OE2-CZ 2.88Å; E201-R273 IonicContact OE2-NH1 3.98Å; E201-R273 IonicContact OE2-NH2 2.79Å; E201-R273 PolarHBondContact OE2-NH2 3.3Å
202I97.8Very high96.9Very high8 Ų830.3 Ų30.34%0.04117%0.169CC..Hα-helixtrans-70.2-48.1173.6-60.6177.6000109.2L191 L198 A199 P200 L204 S205 Y208 V212L191-I202 HydrophobicContact CD1-CG2 3.62Å; L198-I202 HydrophobicContact CD2-CD1 4.31Å; L198-I202 HydrophobicContact CD2-CG2 4.24Å; A199-I202 HydrophobicContact CB-CD1 4.46Å; A199-I202 HydrophobicContact CB-CG1 4.46Å; A199-I202 WeakPolarHBondContact O-CB 3.32Å; A199-I202 PolarHBondContact O-N 2.93Å; P200-I202 VanDerWaalsContact C-N 3.31Å; P200-I202 PolarHBondContact O-N 3.42Å; I202-L204 VanDerWaalsContact C-N 3.32Å; I202-L204 PolarHBondContact O-N 3.39Å; I202-S205 PolarHBondContact O-N 3.31Å; I202-Y208 HydrophobicContact CD1-CE2 4.38Å; I202-Y208 HydrophobicContact CG1-CD1 3.77Å; I202-Y208 HydrophobicContact CG1-CD2 4.24Å; I202-Y208 HydrophobicContact CG1-CE1 3.94Å; I202-Y208 HydrophobicContact CG1-CE2 4.4Å; I202-Y208 HydrophobicContact CG1-CG 3.92Å; I202-Y208 HydrophobicContact CG2-CE1 4.46Å; I202-V212 HydrophobicContact CD1-CB 3.96Å; I202-V212 HydrophobicContact CD1-CG1 3.78Å; I202-V212 HydrophobicContact CD1-CG2 4.37Å; I202-V212 HydrophobicContact CG1-CG1 3.84Å
203I97.5Very high97.1Very high33 Ų3329.8 Ų29.817%0.16917%0.165CC..Hα-helixtrans-61.3-42.9-179.5-62.5170.1000110.7L198 A199 P200 S205 Y240 I243 V244L198-I203 HydrophobicContact CB-CD1 4.08Å; L198-I203 HydrophobicContact CB-CG1 3.96Å; L198-I203 HydrophobicContact CD1-CG1 4.18Å; A199-I203 PolarHBondContact O-N 2.81Å; P200-I203 PolarHBondContact O-N 3.08Å; I203-S205 PolarHBondContact O-N 2.68Å; I203-S205 VanDerWaalsContact O-N 3.12Å; I203-Y240 HydrophobicContact CD1-CD1 3.81Å; I203-Y240 HydrophobicContact CD1-CG 4.19Å; I203-Y240 HydrophobicContact CG1-CD1 4.15Å; I203-Y240 HydrophobicContact CG1-CG 4.39Å; I203-Y240 HydrophobicContact CG2-CG 4.14Å; I203-I243 HydrophobicContact CD1-CB 3.77Å; I203-I243 HydrophobicContact CD1-CD1 3.84Å; I203-I243 HydrophobicContact CD1-CG1 4.41Å; I203-I243 HydrophobicContact CD1-CG2 3.48Å; I203-I243 VanDerWaalsContact CD1-CG2 3.48Å; I203-V244 HydrophobicContact CB-CG2 4.3Å; I203-V244 HydrophobicContact CG2-CG2 3.85Å
204L96.7Very high97.4Very high80 Ų8029 Ų2942%0.41916%0.155SC..THydrogen-bonded Turntrans-75.48.6177.8-64.8174000113.3P200 I202 K206 V244P200-L204 WeakPolarHBondContact O-CB 3.48Å; P200-L204 VanDerWaalsContact O-CG 3.23Å; P200-L204 WeakPolarHBondContact O-CG 3.5Å; P200-L204 PolarHBondContact O-N 3.15Å; I202-L204 VanDerWaalsContact C-N 3.32Å; I202-L204 PolarHBondContact O-N 3.39Å; L204-K206 HydrophobicContact CB-CD 4.31Å; L204-K206 HydrophobicContact CB-CG 4.14Å; L204-K206 PolarHBondContact O-N 3.03Å; L204-K206 VanDerWaalsContact O-N 3.12Å; L204-V244 HydrophobicContact CD1-CG1 4.45Å; L204-V244 HydrophobicContact CD2-CG1 4.1Å; L204-V244 HydrophobicContact CD2-CG2 4.12Å; L204-V244 HydrophobicContact CG-CG2 4.16Å
205S95.1Very high97.6Very high93 Ų9327.9 Ų27.965%0.6515%0.148SC*.THydrogen-bonded Turntrans53.831.8179.7-57.60000113.6E201 I202 I203E201-S205 PolarHBondContact O-N 3.02Å; I202-S205 PolarHBondContact O-N 3.31Å; I203-S205 PolarHBondContact O-N 2.68Å; I203-S205 VanDerWaalsContact O-N 3.12Å
206K95.8Very high97.7Very high123 Ų12326.6 Ų26.654%0.53514%0.14SC..  trans-86.9149175.2-63.5179.5-178.6175.90109E201 L204 Y208E201-K206 HydrophobicContact CB-CB 4.25Å; E201-K206 WeakPolarHBondContact O-CB 3.32Å; E201-K206 PolarHBondContact O-N 2.89Å; L204-K206 HydrophobicContact CB-CD 4.31Å; L204-K206 HydrophobicContact CB-CG 4.14Å; L204-K206 PolarHBondContact O-N 3.03Å; L204-K206 VanDerWaalsContact O-N 3.12Å; K206-Y208 PolarHBondContact O-N 3.36Å
207G95.3Very high97.8Very high11 Ų1123.8 Ų23.811%0.11313%0.128CC..  trans-61.5123.6170.800000110.2R187 T188R187-G207 WeakPolarHBondContact CD-O 3.41Å; T188-G207 WeakPolarHBondContact O-CA 3.32Å
208Y97.7Very high97.8Very high3 Ų323.2 Ų23.21%0.01213%0.125CC..BIsolated β-bridgetrans-119.1164.9-173.465.3-95.3000112.1R158 R187 T188 T190 I202 K206 V212R158-Y208 WeakPolarHBondContact CD-OH 3.35Å; R158-Y208 HydrophobicContact CG-CE2 4.49Å; R158-Y208 PolarHBondContact NH1-OH 3.45Å; R187-Y208 CarbonylContact C-O 3.57Å; R187-Y208 WeakPolarHBondContact CA-O 3.5Å; T188-Y208 HydrophobicContact CG2-CD2 3.88Å; T188-Y208 HydrophobicContact CG2-CE1 4.05Å; T188-Y208 HydrophobicContact CG2-CE2 3.29Å; T188-Y208 HydrophobicContact CG2-CG 4.47Å; T188-Y208 VanDerWaalsContact CG2-CZ 3.4Å; T188-Y208 PolarHBondContact N-O 2.89Å; T188-Y208 VanDerWaalsContact O-CD1 3.27Å; T188-Y208 WeakPolarHBondContact O-CD1 3.35Å; T188-Y208 PolarHBondContact O-N 2.87Å; T190-Y208 WeakPolarHBondContact O-CE1 3.43Å; T190-Y208 PolarHBondContact O-OH 2.95Å; I202-Y208 HydrophobicContact CD1-CE2 4.38Å; I202-Y208 HydrophobicContact CG1-CD1 3.77Å; I202-Y208 HydrophobicContact CG1-CD2 4.24Å; I202-Y208 HydrophobicContact CG1-CE1 3.94Å; I202-Y208 HydrophobicContact CG1-CE2 4.4Å; I202-Y208 HydrophobicContact CG1-CG 3.92Å; I202-Y208 HydrophobicContact CG2-CE1 4.46Å; K206-Y208 PolarHBondContact O-N 3.36Å; Y208-V212 HydrophobicContact CD2-CB 4.44Å; Y208-V212 HydrophobicContact CD2-CG1 3.56Å; Y208-V212 HydrophobicContact CD2-CG2 4.03Å; Y208-V212 HydrophobicContact CE2-CG1 4.41Å; Y208-V212 HydrophobicContact CE2-CG2 4.27Å; Y208-V212 HydrophobicContact CG-CG1 3.9Å
209N96.8Very high97.8Very high48 Ų4822.9 Ų22.926%0.25712%0.124SC..  trans-133.4-163.5-177.170.50.6000110.7A211 V212 N276N209-A211 PolarHBondContact O-N 2.89Å; N209-A211 WeakPolarHBondContact OD1-CB 3.24Å; N209-A211 PolarHBondContact OD1-N 3.24Å; N209-V212 WeakPolarHBondContact O-CG2 3.1Å; N209-V212 PolarHBondContact O-N 3.43Å; N209-N276 PolarHBondContact ND2-OD1 3.01Å
210K97.9Very high97.8Very high51 Ų5122.9 Ų22.922%0.22212%0.123CC..THydrogen-bonded Turntrans-52.1-18.8177.3-64.1167-173.9176.80114.7H151 D154 I156 V212 D213H151-K210 HydrophobicContact CB-CD 3.92Å; H151-K210 PolarHBondContact CE1-O 3.12Å; H151-K210 WeakPolarHBondContact O-CE 3.35Å; H151-K210 PolarHBondContact O-NZ 2.56Å; D154-K210 IonicContact OD1-NZ 3.78Å; D154-K210 PolarHBondContact OD1-NZ 2.79Å; I156-K210 HydrophobicContact CD1-CG 4.34Å; I156-K210 HydrophobicContact CG1-CG 3.79Å; K210-V212 PolarHBondContact O-N 2.95Å; K210-D213 PolarHBondContact O-N 3.34Å
211A98.3Very high97.9Very high1 Ų122.8 Ų22.81%0.00812%0.123CC..Hα-helixtrans-65.6-17.1179.800000114.7N209 D213 W214 W215 L270 R273 N276N209-A211 PolarHBondContact O-N 2.89Å; N209-A211 WeakPolarHBondContact OD1-CB 3.24Å; N209-A211 PolarHBondContact OD1-N 3.24Å; A211-D213 VanDerWaalsContact C-N 3.32Å; A211-W214 PolarHBondContact O-N 2.91Å; A211-W215 PolarHBondContact O-N 2.69Å; A211-L270 HydrophobicContact CB-CD2 3.81Å; A211-R273 PolarHBondContact O-NH1 2.82Å; A211-N276 HydrophobicContact CB-CB 3.86Å
212V98.5Very high97.9Very high5 Ų522.7 Ų22.73%0.0312%0.122CC..Hα-helixtrans-68.1-33.8174.9-570000111.6I156 R158 A199 E201 I202 Y208 N209 K210 W214 W215 A216I156-V212 HydrophobicContact CG2-CG2 3.86Å; R158-V212 HydrophobicContact CG-CG2 4.41Å; A199-V212 HydrophobicContact CB-CB 4.03Å; A199-V212 HydrophobicContact CB-CG1 3.89Å; E201-V212 HydrophobicContact CG-CG1 4.12Å; E201-V212 WeakPolarHBondContact OE1-CG1 3.43Å; I202-V212 HydrophobicContact CD1-CB 3.96Å; I202-V212 HydrophobicContact CD1-CG1 3.78Å; I202-V212 HydrophobicContact CD1-CG2 4.37Å; I202-V212 HydrophobicContact CG1-CG1 3.84Å; Y208-V212 HydrophobicContact CD2-CB 4.44Å; Y208-V212 HydrophobicContact CD2-CG1 3.56Å; Y208-V212 HydrophobicContact CD2-CG2 4.03Å; Y208-V212 HydrophobicContact CE2-CG1 4.41Å; Y208-V212 HydrophobicContact CE2-CG2 4.27Å; Y208-V212 HydrophobicContact CG-CG1 3.9Å; N209-V212 WeakPolarHBondContact O-CG2 3.1Å; N209-V212 PolarHBondContact O-N 3.43Å; K210-V212 PolarHBondContact O-N 2.95Å; V212-W214 VanDerWaalsContact C-N 3.34Å; V212-W215 WeakPolarHBondContact O-CB 3.22Å; V212-W215 PolarHBondContact O-N 2.96Å; V212-A216 PolarHBondContact O-N 2.95Å
213D98.8Very high98Very high1 Ų122.6 Ų22.61%0.00512%0.121CC..Hα-helixtrans-67.2-38.4176.6-70.1-20.7000110.4F147 H151 I156 Y157 R158 K210 A211 A216 L217F147-D213 HydrophobicContact CD2-CB 3.96Å; F147-D213 HydrophobicContact CE1-CB 4.26Å; F147-D213 HydrophobicContact CE2-CB 3.66Å; F147-D213 VanDerWaalsContact CE2-O 3.24Å; F147-D213 WeakPolarHBondContact CE2-O 2.97Å; F147-D213 HydrophobicContact CG-CB 4.39Å; F147-D213 HydrophobicContact CZ-CB 3.8Å; H151-D213 IonicContact CD2-OD2 2.56Å; H151-D213 IonicContact CE1-OD2 2.82Å; H151-D213 IonicContact NE2-OD2 2.79Å; H151-D213 PolarHBondContact NE2-OD2 3.15Å; I156-D213 WeakPolarHBondContact CG2-OD2 3.33Å; Y157-D213 PolarHBondContact N-OD1 3.48Å; Y157-D213 PolarHBondContact N-OD2 2.9Å; R158-D213 PolarHBondContact N-OD1 3.33Å; K210-D213 PolarHBondContact O-N 3.34Å; A211-D213 VanDerWaalsContact C-N 3.32Å; D213-A216 PolarHBondContact O-N 3.21Å; D213-L217 PolarHBondContact O-N 3.41Å
214W98.9Very high98Very high7 Ų721 Ų213%0.02711%0.113CC..Hα-helixtrans-68.4-33.3175.7-61.7125.2000113.2V144 F147 H151 A211 V212 L217 G218 L265 G275 V281 I284V144-W214 HydrophobicContact CG2-CZ3 4.28Å; F147-W214 HydrophobicContact CB-CH2 3.56Å; F147-W214 HydrophobicContact CB-CZ2 4.03Å; F147-W214 HydrophobicContact CB-CZ3 3.91Å; F147-W214 HydrophobicContact CD2-CE3 4Å; F147-W214 HydrophobicContact CD2-CH2 4.37Å; F147-W214 AromaticContact CD2-CZ3 3.88Å; F147-W214 HydrophobicContact CD2-CZ3 3.88Å; F147-W214 HydrophobicContact CG-CZ3 4.44Å; H151-W214 AromaticContact CE1-CE2 3.76Å; H151-W214 AromaticContact CE1-NE1 3.58Å; H151-W214 AromaticContact ND1-CE2 3.75Å; H151-W214 AromaticContact ND1-CZ2 3.73Å; H151-W214 AromaticContact ND1-NE1 3.51Å; A211-W214 PolarHBondContact O-N 2.91Å; V212-W214 VanDerWaalsContact C-N 3.34Å; W214-L217 HydrophobicContact CE3-CD2 3.73Å; W214-L217 HydrophobicContact CZ3-CD2 3.84Å; W214-L217 PolarHBondContact O-N 2.8Å; W214-G218 PolarHBondContact O-N 3.1Å; W214-L265 HydrophobicContact CB-CD2 4.39Å; W214-G275 PolarHBondContact NE1-O 2.71Å; W214-V281 HydrophobicContact CH2-CB 4.19Å; W214-V281 HydrophobicContact CH2-CG2 3.55Å; W214-V281 HydrophobicContact CZ2-CB 4.08Å; W214-V281 HydrophobicContact CZ2-CG2 3.96Å; W214-V281 HydrophobicContact CZ3-CG2 4.4Å; W214-I284 HydrophobicContact CD2-CD1 3.64Å; W214-I284 HydrophobicContact CE3-CD1 3.25Å; W214-I284 HydrophobicContact CG-CD1 4.29Å; W214-I284 HydrophobicContact CH2-CD1 4.19Å; W214-I284 HydrophobicContact CZ2-CD1 4.49Å; W214-I284 HydrophobicContact CZ3-CD1 3.56Å
215W98.8Very high98.1Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-62.6-49.4169172.9-83.3000110.8L198 A199 P200 A211 V212 L217 G218 V219 F231 I243 L266 V268L198-W215 PolarHBondContact O-NE1 3.18Å; L198-W215 VanDerWaalsContact O-NE1 3.09Å; A199-W215 HydrophobicContact CB-CB 3.93Å; A199-W215 HydrophobicContact CB-CD2 4.31Å; A199-W215 HydrophobicContact CB-CG 3.78Å; P200-W215 HydrophobicContact CG-CE3 4.28Å; P200-W215 HydrophobicContact CG-CH2 3.58Å; P200-W215 HydrophobicContact CG-CZ2 3.98Å; P200-W215 HydrophobicContact CG-CZ3 3.73Å; A211-W215 PolarHBondContact O-N 2.69Å; V212-W215 WeakPolarHBondContact O-CB 3.22Å; V212-W215 PolarHBondContact O-N 2.96Å; W215-L217 VanDerWaalsContact C-N 3.26Å; W215-L217 PolarHBondContact O-N 3.36Å; W215-G218 WeakPolarHBondContact O-CA 3.45Å; W215-G218 PolarHBondContact O-N 3.27Å; W215-V219 PolarHBondContact O-N 3Å; W215-F231 HydrophobicContact CH2-CE2 4.15Å; W215-F231 HydrophobicContact CH2-CZ 4.15Å; W215-F231 HydrophobicContact CZ2-CD2 4.45Å; W215-F231 AromaticContact CZ2-CE2 3.53Å; W215-F231 HydrophobicContact CZ2-CE2 3.53Å; W215-F231 AromaticContact CZ2-CZ 4Å; W215-F231 HydrophobicContact CZ2-CZ 4Å; W215-I243 HydrophobicContact CH2-CG2 4.45Å; W215-I243 HydrophobicContact CZ2-CG2 3.81Å; W215-L266 HydrophobicContact CD2-CD2 4.14Å; W215-L266 HydrophobicContact CE3-CD2 4.43Å; W215-L266 HydrophobicContact CH2-CB 4.45Å; W215-L266 HydrophobicContact CZ2-CD2 4.27Å; W215-L266 HydrophobicContact CZ3-CB 4.29Å; W215-L266 WeakPolarHBondContact CZ3-O 3.35Å; W215-V268 HydrophobicContact CH2-CG2 4.41Å; W215-V268 HydrophobicContact CZ3-CG2 4.34Å
216A98.9Very high98.3Very high6 Ų613.2 Ų13.25%0.057%0.066CC..Hα-helixtrans-60.5-35.5179.300000111.9L160 Y197 V212 D213 G218 V219 L220L160-A216 HydrophobicContact CB-CB 3.95Å; L160-A216 HydrophobicContact CD2-CB 4.24Å; Y197-A216 HydrophobicContact CD1-CB 4.21Å; V212-A216 PolarHBondContact O-N 2.95Å; D213-A216 PolarHBondContact O-N 3.21Å; A216-G218 VanDerWaalsContact C-N 3.31Å; A216-G218 PolarHBondContact O-N 2.89Å; A216-V219 WeakPolarHBondContact O-CB 3.43Å; A216-V219 PolarHBondContact O-N 3.48Å; A216-L220 WeakPolarHBondContact O-CB 3.19Å; A216-L220 PolarHBondContact O-N 3.36Å
217L98.9Very high98.3Very high0 Ų07.9 Ų7.90%05%0.046CC..Hα-helixtrans-59.3-42170.2175.665.4000111.6A140 I143 V144 F147 L160 D213 W214 W215 V219 L220 I221 L265A140-L217 HydrophobicContact CB-CD1 4.48Å; I143-L217 HydrophobicContact CB-CD1 4Å; I143-L217 HydrophobicContact CG2-CD1 3.84Å; V144-L217 HydrophobicContact CG2-CD2 3.54Å; F147-L217 HydrophobicContact CE2-CB 4.26Å; L160-L217 HydrophobicContact CD2-CB 4.35Å; D213-L217 PolarHBondContact O-N 3.41Å; W214-L217 HydrophobicContact CE3-CD2 3.73Å; W214-L217 HydrophobicContact CZ3-CD2 3.84Å; W214-L217 PolarHBondContact O-N 2.8Å; W215-L217 VanDerWaalsContact C-N 3.26Å; W215-L217 PolarHBondContact O-N 3.36Å; L217-V219 VanDerWaalsContact C-N 3.33Å; L217-V219 PolarHBondContact O-N 3.47Å; L217-L220 PolarHBondContact O-N 2.92Å; L217-I221 HydrophobicContact CD1-CD1 3.87Å; L217-I221 HydrophobicContact CD1-CG1 4.01Å; L217-I221 HydrophobicContact CD2-CD1 4.4Å; L217-I221 HydrophobicContact CG-CD1 3.81Å; L217-I221 HydrophobicContact CG-CG1 4.34Å; L217-I221 WeakPolarHBondContact O-CB 3.46Å; L217-I221 VanDerWaalsContact O-CG1 3.27Å; L217-I221 WeakPolarHBondContact O-CG1 3.42Å; L217-I221 PolarHBondContact O-N 3.45Å; L217-L265 HydrophobicContact CD2-CD1 4.37Å; L217-L265 HydrophobicContact CG-CD1 4.34Å
218G98.9Very high98.4Very high0 Ų011.8 Ų11.80%06%0.058CC..Hα-helixtrans-60-42.717400000112.5W214 W215 A216 Y222 L262W214-G218 PolarHBondContact O-N 3.1Å; W215-G218 WeakPolarHBondContact O-CA 3.45Å; W215-G218 PolarHBondContact O-N 3.27Å; A216-G218 VanDerWaalsContact C-N 3.31Å; A216-G218 PolarHBondContact O-N 2.89Å; G218-Y222 WeakPolarHBondContact O-CB 3.4Å; G218-Y222 PolarHBondContact O-N 2.93Å; G218-Y222 VanDerWaalsContact O-N 3.08Å; G218-L262 WeakPolarHBondContact O-CD2 3.28Å
219V98.9Very high98.5Very high0 Ų012.1 Ų12.10%06%0.061CC..Hα-helixtrans-63-46.5175.9179.90000110.3E196 Y197 W215 A216 L217 Y222 E223 P230 L266E196-V219 WeakPolarHBondContact O-CG1 3.38Å; Y197-V219 HydrophobicContact CD1-CB 3.69Å; Y197-V219 HydrophobicContact CD1-CG1 3.54Å; Y197-V219 HydrophobicContact CD2-CG1 4.14Å; Y197-V219 HydrophobicContact CE1-CB 3.77Å; Y197-V219 HydrophobicContact CE1-CG1 3.47Å; Y197-V219 VanDerWaalsContact CE1-CG1 3.47Å; Y197-V219 HydrophobicContact CE2-CG1 4.03Å; Y197-V219 HydrophobicContact CG-CB 4.39Å; Y197-V219 HydrophobicContact CG-CG1 3.89Å; W215-V219 PolarHBondContact O-N 3Å; A216-V219 WeakPolarHBondContact O-CB 3.43Å; A216-V219 PolarHBondContact O-N 3.48Å; L217-V219 VanDerWaalsContact C-N 3.33Å; L217-V219 PolarHBondContact O-N 3.47Å; V219-Y222 WeakPolarHBondContact O-CB 3.46Å; V219-Y222 PolarHBondContact O-N 2.82Å; V219-E223 WeakPolarHBondContact O-CB 3.46Å; V219-E223 PolarHBondContact O-N 3.44Å; V219-P230 HydrophobicContact CB-CG 4.4Å; V219-P230 HydrophobicContact CG1-CG 4.11Å; V219-P230 HydrophobicContact CG2-CG 4.25Å; V219-L266 HydrophobicContact CG2-CD2 3.7Å
220L98.8Very high98.5Very high0 Ų010.5 Ų10.50%05%0.053CC..Hα-helixtrans-62.2-47179.9-176.267.9000112.2M121 I143 L160 P162 L165 Y197 A216 L217 Y222 E223 M224M121-L220 HydrophobicContact SD-CD1 4.41Å; I143-L220 HydrophobicContact CG1-CD2 4.03Å; L160-L220 HydrophobicContact CD1-CD2 4.1Å; L160-L220 HydrophobicContact CD2-CB 4.07Å; L160-L220 HydrophobicContact CD2-CD2 3.82Å; L160-L220 HydrophobicContact CG-CD2 4.04Å; P162-L220 HydrophobicContact CG-CD1 3.84Å; L165-L220 HydrophobicContact CD1-CD1 4.02Å; L165-L220 HydrophobicContact CD1-CD2 3.62Å; L165-L220 HydrophobicContact CD1-CG 4.48Å; Y197-L220 HydrophobicContact CE1-CB 4Å; Y197-L220 HydrophobicContact CE1-CD1 4.47Å; A216-L220 WeakPolarHBondContact O-CB 3.19Å; A216-L220 PolarHBondContact O-N 3.36Å; L217-L220 PolarHBondContact O-N 2.92Å; L220-Y222 VanDerWaalsContact C-N 3.3Å; L220-Y222 PolarHBondContact O-N 3.22Å; L220-E223 PolarHBondContact O-N 2.88Å; L220-M224 HydrophobicContact CD1-CG 4.42Å; L220-M224 HydrophobicContact CD2-CE 4.41Å; L220-M224 HydrophobicContact CG-CE 4.05Å; L220-M224 HydrophobicContact CG-CG 4.46Å; L220-M224 HydrophobicContact CG-SD 4.4Å; L220-M224 WeakPolarHBondContact O-CB 3.45Å; L220-M224 WeakPolarHBondContact O-CG 3.34Å; L220-M224 PolarHBondContact O-N 3.46Å
221I98.9Very high98.6Very high0 Ų08.2 Ų8.20%04%0.043CC..Hα-helixtrans-61-43178.4-69.2170.7000110.3A140 L217 M224 A225 L258 L261 L262 L265 W289A140-I221 HydrophobicContact CB-CD1 3.84Å; A140-I221 HydrophobicContact CB-CG1 3.68Å; L217-I221 HydrophobicContact CD1-CD1 3.87Å; L217-I221 HydrophobicContact CD1-CG1 4.01Å; L217-I221 HydrophobicContact CD2-CD1 4.4Å; L217-I221 HydrophobicContact CG-CD1 3.81Å; L217-I221 HydrophobicContact CG-CG1 4.34Å; L217-I221 WeakPolarHBondContact O-CB 3.46Å; L217-I221 VanDerWaalsContact O-CG1 3.27Å; L217-I221 WeakPolarHBondContact O-CG1 3.42Å; L217-I221 PolarHBondContact O-N 3.45Å; I221-M224 HydrophobicContact CG1-CE 4.33Å; I221-A225 WeakPolarHBondContact O-CB 3.38Å; I221-A225 PolarHBondContact O-N 3.28Å; I221-L258 HydrophobicContact CG2-CD1 3.54Å; I221-L261 HydrophobicContact CD1-CD2 4.13Å; I221-L262 HydrophobicContact CB-CD2 3.97Å; I221-L262 HydrophobicContact CG2-CD2 3.88Å; I221-L262 HydrophobicContact CG2-CG 4.49Å; I221-L265 HydrophobicContact CD1-CD1 4.01Å; I221-W289 HydrophobicContact CD1-CZ3 4.32Å; I221-W289 HydrophobicContact CG2-CH2 3.91Å; I221-W289 HydrophobicContact CG2-CZ2 4.36Å; I221-W289 HydrophobicContact CG2-CZ3 4.33Å
222Y98.9Very high98.5Very high6 Ų613.5 Ų13.52%0.0247%0.066CC..Hα-helixtrans-59.6-51.6175.1-175.7-68.4000110.2G218 V219 L220 M224 A225 A226 Y228 P230 V248 K249 F250 F254 L262G218-Y222 WeakPolarHBondContact O-CB 3.4Å; G218-Y222 PolarHBondContact O-N 2.93Å; G218-Y222 VanDerWaalsContact O-N 3.08Å; V219-Y222 WeakPolarHBondContact O-CB 3.46Å; V219-Y222 PolarHBondContact O-N 2.82Å; L220-Y222 VanDerWaalsContact C-N 3.3Å; L220-Y222 PolarHBondContact O-N 3.22Å; Y222-M224 PolarHBondContact O-N 2.77Å; Y222-A225 PolarHBondContact O-N 2.93Å; Y222-A226 HydrophobicContact CD1-CB 3.84Å; Y222-A226 HydrophobicContact CE1-CB 3.57Å; Y222-A226 WeakPolarHBondContact O-CB 3.42Å; Y222-A226 PolarHBondContact O-N 2.83Å; Y222-Y228 VanDerWaalsContact CD1-O 3.25Å; Y222-Y228 WeakPolarHBondContact CD1-O 3.32Å; Y222-Y228 HydrophobicContact CE1-CD2 4.02Å; Y222-Y228 AromaticContact CE1-CE2 3.8Å; Y222-Y228 HydrophobicContact CE1-CE2 3.8Å; Y222-Y228 VanDerWaalsContact CE1-O 3.28Å; Y222-Y228 WeakPolarHBondContact CE1-O 3.43Å; Y222-Y228 WeakPolarHBondContact OH-CE2 3.39Å; Y222-P230 HydrophobicContact CD1-CB 3.89Å; Y222-P230 HydrophobicContact CD1-CG 4.21Å; Y222-P230 HydrophobicContact CD2-CB 3.75Å; Y222-P230 HydrophobicContact CD2-CG 4.43Å; Y222-P230 HydrophobicContact CE1-CB 4.06Å; Y222-P230 HydrophobicContact CE2-CB 3.89Å; Y222-P230 HydrophobicContact CG-CB 3.77Å; Y222-P230 HydrophobicContact CG-CG 4.05Å; Y222-V248 HydrophobicContact CD2-CG1 4.11Å; Y222-V248 HydrophobicContact CE2-CG1 3.74Å; Y222-K249 WeakPolarHBondContact CE2-O 3.28Å; Y222-K249 PolarHBondContact OH-O 2.89Å; Y222-F250 HydrophobicContact CD2-CD1 4.26Å; Y222-F250 HydrophobicContact CD2-CE1 4.3Å; Y222-F250 AromaticContact CE2-CD1 3.99Å; Y222-F250 HydrophobicContact CE2-CD1 3.99Å; Y222-F250 HydrophobicContact CE2-CE1 4.34Å; Y222-F254 AromaticContact CD2-CE2 3.98Å; Y222-F254 HydrophobicContact CD2-CE2 3.98Å; Y222-F254 HydrophobicContact CD2-CZ 4.5Å; Y222-F254 HydrophobicContact CE2-CE2 4.21Å; Y222-F254 HydrophobicContact CG-CE2 4.39Å; Y222-L262 HydrophobicContact CD2-CD1 4.04Å
223E98.7Very high98.4Very high6 Ų614.6 Ų14.63%0.0288%0.076CC..Hα-helixtrans-63.1-42.2-175.6-175.9163.3-165.400112.1L125 R126 Y197 V219 L220 A225 G227 Y228L125-E223 HydrophobicContact CD2-CG 4.02Å; R126-E223 IonicContact CZ-OE1 3.63Å; R126-E223 IonicContact NH1-OE1 3.9Å; R126-E223 IonicContact NH2-OE1 2.78Å; R126-E223 PolarHBondContact NH2-OE1 3.34Å; Y197-E223 PolarHBondContact OH-OE2 2.87Å; V219-E223 WeakPolarHBondContact O-CB 3.46Å; V219-E223 PolarHBondContact O-N 3.44Å; L220-E223 PolarHBondContact O-N 2.88Å; E223-A225 PolarHBondContact O-N 2.76Å; E223-G227 VanDerWaalsContact O-CA 3.27Å; E223-G227 WeakPolarHBondContact O-CA 3.41Å; E223-G227 PolarHBondContact O-N 2.85Å; E223-Y228 WeakPolarHBondContact CA-O 3.46Å
224M98.7Very high98.3Very high0 Ų021.7 Ų21.70%011%0.114CC..Hα-helixtrans-58.9-45.8174.6-72.6-171.2-62.600112M121 F131 S136 Y139 A140 L220 I221 Y222M121-M224 HydrophobicContact CE-SD 4.04Å; M121-M224 HydrophobicContact SD-CG 4.14Å; M121-M224 HydrophobicContact SD-SD 3.77Å; F131-M224 HydrophobicContact CD2-CB 3.98Å; F131-M224 HydrophobicContact CD2-CG 3.97Å; F131-M224 HydrophobicContact CD2-SD 4.15Å; F131-M224 HydrophobicContact CE2-CG 4.31Å; F131-M224 HydrophobicContact CE2-SD 4.42Å; F131-M224 PolarHBondContact N-O 3.22Å; S136-M224 WeakPolarHBondContact O-CE 3.11Å; Y139-M224 HydrophobicContact CD2-SD 4.03Å; Y139-M224 HydrophobicContact CG-SD 4.44Å; A140-M224 HydrophobicContact CB-CE 4.35Å; L220-M224 HydrophobicContact CD1-CG 4.42Å; L220-M224 HydrophobicContact CD2-CE 4.41Å; L220-M224 HydrophobicContact CG-CE 4.05Å; L220-M224 HydrophobicContact CG-CG 4.46Å; L220-M224 HydrophobicContact CG-SD 4.4Å; L220-M224 WeakPolarHBondContact O-CB 3.45Å; L220-M224 WeakPolarHBondContact O-CG 3.34Å; L220-M224 PolarHBondContact O-N 3.46Å; I221-M224 HydrophobicContact CG1-CE 4.33Å; Y222-M224 PolarHBondContact O-N 2.77Å
225A98.6Very high98.2Very high2 Ų226.8 Ų26.82%0.01714%0.138CC..Hα-helixtrans-81.3-26.1-174.300000113.8I221 Y222 E223 H253 F254 L258I221-A225 WeakPolarHBondContact O-CB 3.38Å; I221-A225 PolarHBondContact O-N 3.28Å; Y222-A225 PolarHBondContact O-N 2.93Å; E223-A225 PolarHBondContact O-N 2.76Å; A225-H253 PolarHBondContact O-NE2 3.44Å; A225-F254 HydrophobicContact CB-CE1 3.63Å; A225-F254 HydrophobicContact CB-CZ 3.69Å; A225-L258 HydrophobicContact CB-CD2 3.83Å
226A98.4Very high98.1Very high8 Ų829.4 Ų29.47%0.06616%0.155CC..Hα-helixtrans-94.8-32.918000000113.3Y222 Y228 P251 F254Y222-A226 HydrophobicContact CD1-CB 3.84Å; Y222-A226 HydrophobicContact CE1-CB 3.57Å; Y222-A226 WeakPolarHBondContact O-CB 3.42Å; Y222-A226 PolarHBondContact O-N 2.83Å; A226-Y228 HydrophobicContact CB-CD1 4.13Å; A226-Y228 HydrophobicContact CB-CD2 4.44Å; A226-Y228 HydrophobicContact CB-CE1 3.95Å; A226-Y228 HydrophobicContact CB-CE2 4.26Å; A226-Y228 HydrophobicContact CB-CG 4.38Å; A226-Y228 WeakPolarHBondContact O-CD1 3.27Å; A226-P251 HydrophobicContact CB-CG 4Å; A226-F254 HydrophobicContact CB-CE1 4.12Å; A226-F254 HydrophobicContact CB-CZ 3.83Å
227G97.6Very high98Very high11 Ų1134.2 Ų34.211%0.11318%0.179CC..SBendtrans89-0-169.800000114.8R126 G129 E223R126-G227 PolarHBondContact NH1-O 2.93Å; G129-G227 WeakPolarHBondContact O-CA 3.46Å; E223-G227 VanDerWaalsContact O-CA 3.27Å; E223-G227 WeakPolarHBondContact O-CA 3.41Å; E223-G227 PolarHBondContact O-N 2.85Å
228Y97.4Very high97.9Very high92 Ų9238 Ų3836%0.36120%0.196SC..SBendtrans-151.9151.7-179.956.9-93.5000109.7Y222 E223 A226 F232Y222-Y228 VanDerWaalsContact CD1-O 3.25Å; Y222-Y228 WeakPolarHBondContact CD1-O 3.32Å; Y222-Y228 HydrophobicContact CE1-CD2 4.02Å; Y222-Y228 AromaticContact CE1-CE2 3.8Å; Y222-Y228 HydrophobicContact CE1-CE2 3.8Å; Y222-Y228 VanDerWaalsContact CE1-O 3.28Å; Y222-Y228 WeakPolarHBondContact CE1-O 3.43Å; Y222-Y228 WeakPolarHBondContact OH-CE2 3.39Å; E223-Y228 WeakPolarHBondContact CA-O 3.46Å; A226-Y228 HydrophobicContact CB-CD1 4.13Å; A226-Y228 HydrophobicContact CB-CD2 4.44Å; A226-Y228 HydrophobicContact CB-CE1 3.95Å; A226-Y228 HydrophobicContact CB-CE2 4.26Å; A226-Y228 HydrophobicContact CB-CG 4.38Å; A226-Y228 WeakPolarHBondContact O-CD1 3.27Å; Y228-F232 HydrophobicContact CD2-CD1 4.36Å; Y228-F232 AromaticContact CD2-CE1 3.89Å; Y228-F232 HydrophobicContact CD2-CE1 3.89Å; Y228-F232 HydrophobicContact CE2-CE1 4.31Å
229P98Very high97.9Very high11 Ų1138.2 Ų38.27%0.07120%0.197CC..  trans-72156.9-177.127.6-31.8000112E196 F231 F232E196-P229 HydrophobicContact CB-CB 4.29Å; E196-P229 HydrophobicContact CB-CG 4.47Å; E196-P229 HydrophobicContact CG-CB 4.45Å; E196-P229 HydrophobicContact CG-CG 4.09Å; P229-F231 PolarHBondContact O-N 3.29Å; P229-F232 HydrophobicContact CG-CB 4.13Å; P229-F232 WeakPolarHBondContact O-CD1 3.38Å
230P98.5Very high97.8Very high14 Ų1441 Ų419%0.09121%0.208CC..SBendtrans-65-25.5-179.124-32000113.5V219 Y222 V248 L266V219-P230 HydrophobicContact CB-CG 4.4Å; V219-P230 HydrophobicContact CG1-CG 4.11Å; V219-P230 HydrophobicContact CG2-CG 4.25Å; Y222-P230 HydrophobicContact CD1-CB 3.89Å; Y222-P230 HydrophobicContact CD1-CG 4.21Å; Y222-P230 HydrophobicContact CD2-CB 3.75Å; Y222-P230 HydrophobicContact CD2-CG 4.43Å; Y222-P230 HydrophobicContact CE1-CB 4.06Å; Y222-P230 HydrophobicContact CE2-CB 3.89Å; Y222-P230 HydrophobicContact CG-CB 3.77Å; Y222-P230 HydrophobicContact CG-CG 4.05Å; P230-V248 HydrophobicContact CB-CG1 4.14Å; P230-L266 HydrophobicContact CB-CD1 4.24Å; P230-L266 HydrophobicContact CG-CD1 4.17Å
231F98.3Very high97.8Very high3 Ų347.1 Ų47.11%0.01324%0.237CC..SBendtrans-129112.8178.5-44.5-75.9000108.5W215 P229 I239 K242 I243 V248W215-F231 HydrophobicContact CH2-CE2 4.15Å; W215-F231 HydrophobicContact CH2-CZ 4.15Å; W215-F231 HydrophobicContact CZ2-CD2 4.45Å; W215-F231 AromaticContact CZ2-CE2 3.53Å; W215-F231 HydrophobicContact CZ2-CE2 3.53Å; W215-F231 AromaticContact CZ2-CZ 4Å; W215-F231 HydrophobicContact CZ2-CZ 4Å; P229-F231 PolarHBondContact O-N 3.29Å; F231-I239 HydrophobicContact CB-CG2 4.34Å; F231-K242 HydrophobicContact CB-CB 4.24Å; F231-K242 HydrophobicContact CD1-CB 3.99Å; F231-I243 HydrophobicContact CB-CG1 3.8Å; F231-I243 HydrophobicContact CD1-CG1 4.36Å; F231-I243 HydrophobicContact CD2-CG1 3.54Å; F231-I243 HydrophobicContact CE2-CG1 4.17Å; F231-I243 HydrophobicContact CG-CG1 3.65Å; F231-V248 HydrophobicContact CE1-CG2 3.83Å; F231-V248 HydrophobicContact CE2-CG2 4.39Å; F231-V248 HydrophobicContact CZ-CG2 3.47Å; F231-V248 VanDerWaalsContact CZ-CG2 3.47Å
232F96.4Very high97.8Very high111 Ų11151.6 Ų51.649%0.48726%0.256SS..  trans-140.5149.9176.261.2-83.6000110.5Y228 P229 K242Y228-F232 HydrophobicContact CD2-CD1 4.36Å; Y228-F232 AromaticContact CD2-CE1 3.89Å; Y228-F232 HydrophobicContact CD2-CE1 3.89Å; Y228-F232 HydrophobicContact CE2-CE1 4.31Å; P229-F232 HydrophobicContact CG-CB 4.13Å; P229-F232 WeakPolarHBondContact O-CD1 3.38Å; F232-K242 PolarHBondContact O-NZ 2.69Å
233A97.2Very high97.8Very high29 Ų2951.3 Ų51.324%0.2426%0.255CS..  trans-166.217217400000108.6Q235 Q238 I239A233-Q235 VanDerWaalsContact C-N 3.33Å; A233-Q238 HydrophobicContact CB-CB 3.45Å; A233-Q238 VanDerWaalsContact CB-CB 3.45Å; A233-Q238 HydrophobicContact CB-CG 4.49Å; A233-I239 HydrophobicContact CB-CG1 3.89Å
234D96.3Very high97.7Very high150 Ų15053.5 Ų53.580%0.80227%0.269SS*.SBendtrans-74.6-26.4-177.1-57-37.9000112.7
235Q96.9Very high97.6Very high113 Ų11356.4 Ų56.453%0.52829%0.289SS..SBendtrans-119.8138.2-178.8-63.2-61.8-41.500111.4A233 I237 Q238 I239A233-Q235 VanDerWaalsContact C-N 3.33Å; Q235-I237 HydrophobicContact CB-CG2 4.12Å; Q235-I237 PolarHBondContact O-N 2.94Å; Q235-I237 VanDerWaalsContact O-N 3.1Å; Q235-Q238 HydrophobicContact CB-CG 4.32Å; Q235-Q238 WeakPolarHBondContact O-CB 3.31Å; Q235-Q238 PolarHBondContact O-N 3.37Å; Q235-I239 PolarHBondContact O-N 3.21Å
236P96.2Very high97.4Very high56 Ų5657.5 Ų57.536%0.36430%0.3SS..Hα-helixtrans-52.5-37179.2-29.835.6000114P195 Q238 I239 Y240P195-P236 HydrophobicContact CB-CB 4.38Å; P195-P236 HydrophobicContact CG-CB 4.37Å; P236-Q238 VanDerWaalsContact C-N 3.29Å; P236-Q238 PolarHBondContact O-N 2.87Å; P236-I239 WeakPolarHBondContact O-CB 3.3Å; P236-I239 PolarHBondContact O-N 2.96Å; P236-I239 VanDerWaalsContact O-N 3.13Å; P236-Y240 HydrophobicContact CB-CE1 4.42Å; P236-Y240 HydrophobicContact CB-CE2 4.18Å; P236-Y240 VanDerWaalsContact O-CD1 3.27Å; P236-Y240 WeakPolarHBondContact O-CD1 3.35Å; P236-Y240 WeakPolarHBondContact O-CD2 3.36Å; P236-Y240 PolarHBondContact O-N 2.82Å
237I96.8Very high97.3Very high107 Ų10765.3 Ų65.355%0.54933%0.333SS..Hα-helixtrans-60.8-37.3179.1-168.460.8000112.8Q235 Y240 E241Q235-I237 HydrophobicContact CB-CG2 4.12Å; Q235-I237 PolarHBondContact O-N 2.94Å; Q235-I237 VanDerWaalsContact O-N 3.1Å; I237-Y240 HydrophobicContact CD1-CD2 4.34Å; I237-Y240 WeakPolarHBondContact O-CB 3.43Å; I237-Y240 PolarHBondContact O-N 2.77Å; I237-E241 WeakPolarHBondContact O-CG 3.28Å; I237-E241 PolarHBondContact O-N 3.01Å; I237-E241 VanDerWaalsContact O-N 3.08Å
238Q98Very high97.3Very high79 Ų7966.3 Ų66.337%0.36934%0.337SS..Hα-helixtrans-72.6-34.3177.9-63.2170.8-35.100111.2A233 Q235 P236 Y240 K242A233-Q238 HydrophobicContact CB-CB 3.45Å; A233-Q238 VanDerWaalsContact CB-CB 3.45Å; A233-Q238 HydrophobicContact CB-CG 4.49Å; Q235-Q238 HydrophobicContact CB-CG 4.32Å; Q235-Q238 WeakPolarHBondContact O-CB 3.31Å; Q235-Q238 PolarHBondContact O-N 3.37Å; P236-Q238 VanDerWaalsContact C-N 3.29Å; P236-Q238 PolarHBondContact O-N 2.87Å; Q238-Y240 VanDerWaalsContact C-N 3.32Å; Q238-K242 WeakPolarHBondContact O-CG 3.39Å; Q238-K242 PolarHBondContact O-N 3.47Å
239I98.1Very high97.4Very high4 Ų470.5 Ų70.52%0.02136%0.357CS..Hα-helixtrans-62.1-44.8172.2-58.7176.3000109.2P195 E196 F231 A233 Q235 P236 E241 K242 I243P195-I239 HydrophobicContact CB-CD1 4.34Å; E196-I239 HydrophobicContact CG-CD1 4.2Å; F231-I239 HydrophobicContact CB-CG2 4.34Å; A233-I239 HydrophobicContact CB-CG1 3.89Å; Q235-I239 PolarHBondContact O-N 3.21Å; P236-I239 WeakPolarHBondContact O-CB 3.3Å; P236-I239 PolarHBondContact O-N 2.96Å; P236-I239 VanDerWaalsContact O-N 3.13Å; I239-E241 PolarHBondContact O-N 3.39Å; I239-K242 WeakPolarHBondContact O-CB 3.49Å; I239-K242 PolarHBondContact O-N 3.32Å; I239-I243 HydrophobicContact CG2-CD1 3.77Å; I239-I243 HydrophobicContact CG2-CG1 4.39Å; I239-I243 WeakPolarHBondContact O-CG1 3.36Å; I239-I243 PolarHBondContact O-N 3.27Å
240Y98.1Very high97.4Very high59 Ų5972.4 Ų72.423%0.23136%0.364CS..Hα-helixtrans-61.8-44.2180-59.9-17.9000112.9P195 L198 I203 P236 I237 Q238 K242 I243 V244P195-Y240 HydrophobicContact CB-CE1 3.83Å; L198-Y240 HydrophobicContact CD1-CE1 3.76Å; I203-Y240 HydrophobicContact CD1-CD1 3.81Å; I203-Y240 HydrophobicContact CD1-CG 4.19Å; I203-Y240 HydrophobicContact CG1-CD1 4.15Å; I203-Y240 HydrophobicContact CG1-CG 4.39Å; I203-Y240 HydrophobicContact CG2-CG 4.14Å; P236-Y240 HydrophobicContact CB-CE1 4.42Å; P236-Y240 HydrophobicContact CB-CE2 4.18Å; P236-Y240 VanDerWaalsContact O-CD1 3.27Å; P236-Y240 WeakPolarHBondContact O-CD1 3.35Å; P236-Y240 WeakPolarHBondContact O-CD2 3.36Å; P236-Y240 PolarHBondContact O-N 2.82Å; I237-Y240 HydrophobicContact CD1-CD2 4.34Å; I237-Y240 WeakPolarHBondContact O-CB 3.43Å; I237-Y240 PolarHBondContact O-N 2.77Å; Q238-Y240 VanDerWaalsContact C-N 3.32Å; Y240-K242 VanDerWaalsContact C-N 3.3Å; Y240-K242 PolarHBondContact O-N 3.03Å; Y240-I243 PolarHBondContact O-N 3.38Å; Y240-V244 WeakPolarHBondContact O-CG2 3.21Å; Y240-V244 PolarHBondContact O-N 3.33Å
241E98Very high97.4Very high128 Ų12872.3 Ų72.360%0.59836%0.364SS*.Hα-helixtrans-57.7-43174.4-72173.9174.800111.8I237 I239 S245I237-E241 WeakPolarHBondContact O-CG 3.28Å; I237-E241 PolarHBondContact O-N 3.01Å; I237-E241 VanDerWaalsContact O-N 3.08Å; I239-E241 PolarHBondContact O-N 3.39Å; E241-S245 WeakPolarHBondContact O-CB 3.49Å; E241-S245 PolarHBondContact O-N 3.02Å
242K98.3Very high97.4Very high94 Ų9477.8 Ų77.841%0.40940%0.402SS..Hα-helixtrans-65-45.2177.3-71.4-179.8-179.6-1700112F231 F232 Q238 I239 Y240 S245 G246F231-K242 HydrophobicContact CB-CB 4.24Å; F231-K242 HydrophobicContact CD1-CB 3.99Å; F232-K242 PolarHBondContact O-NZ 2.69Å; Q238-K242 WeakPolarHBondContact O-CG 3.39Å; Q238-K242 PolarHBondContact O-N 3.47Å; I239-K242 WeakPolarHBondContact O-CB 3.49Å; I239-K242 PolarHBondContact O-N 3.32Å; Y240-K242 VanDerWaalsContact C-N 3.3Å; Y240-K242 PolarHBondContact O-N 3.03Å; K242-S245 WeakPolarHBondContact O-CB 3.39Å; K242-S245 PolarHBondContact O-N 2.94Å; K242-S245 PolarHBondContact O-OG 3.4Å; K242-G246 PolarHBondContact O-N 3.45Å
243I98.4Very high97.4Very high0 Ų076.3 Ų76.30%040%0.396CS..Hα-helixtrans-59-50177.4-72.4167.1000110.6P195 P200 I203 W215 F231 I239 Y240 S245 G246P195-I243 VanDerWaalsContact O-CD1 3.31Å; P195-I243 WeakPolarHBondContact O-CD1 3.35Å; P200-I243 HydrophobicContact CB-CG2 4.32Å; P200-I243 HydrophobicContact CG-CG2 3.79Å; I203-I243 HydrophobicContact CD1-CB 3.77Å; I203-I243 HydrophobicContact CD1-CD1 3.84Å; I203-I243 HydrophobicContact CD1-CG1 4.41Å; I203-I243 HydrophobicContact CD1-CG2 3.48Å; I203-I243 VanDerWaalsContact CD1-CG2 3.48Å; W215-I243 HydrophobicContact CH2-CG2 4.45Å; W215-I243 HydrophobicContact CZ2-CG2 3.81Å; F231-I243 HydrophobicContact CB-CG1 3.8Å; F231-I243 HydrophobicContact CD1-CG1 4.36Å; F231-I243 HydrophobicContact CD2-CG1 3.54Å; F231-I243 HydrophobicContact CE2-CG1 4.17Å; F231-I243 HydrophobicContact CG-CG1 3.65Å; I239-I243 HydrophobicContact CG2-CD1 3.77Å; I239-I243 HydrophobicContact CG2-CG1 4.39Å; I239-I243 WeakPolarHBondContact O-CG1 3.36Å; I239-I243 PolarHBondContact O-N 3.27Å; Y240-I243 PolarHBondContact O-N 3.38Å; I243-S245 VanDerWaalsContact C-N 3.26Å; I243-S245 PolarHBondContact O-N 2.86Å; I243-G246 PolarHBondContact O-N 2.91Å
244V97.6Very high97.5Very high53 Ų5375.2 Ų75.232%0.32139%0.386SS..Hα-helixtrans-64.2-32.1-179.2173.30000111.7I203 L204 Y240 G246I203-V244 HydrophobicContact CB-CG2 4.3Å; I203-V244 HydrophobicContact CG2-CG2 3.85Å; L204-V244 HydrophobicContact CD1-CG1 4.45Å; L204-V244 HydrophobicContact CD2-CG1 4.1Å; L204-V244 HydrophobicContact CD2-CG2 4.12Å; L204-V244 HydrophobicContact CG-CG2 4.16Å; Y240-V244 WeakPolarHBondContact O-CG2 3.21Å; Y240-V244 PolarHBondContact O-N 3.33Å; V244-G246 PolarHBondContact O-N 3.34Å
245S97Very high97.6Very high61 Ų6169.6 Ų69.643%0.42736%0.359SS..Hα-helixtrans-64.2-24.7174.3850000113.6E241 K242 I243 K247E241-S245 WeakPolarHBondContact O-CB 3.49Å; E241-S245 PolarHBondContact O-N 3.02Å; K242-S245 WeakPolarHBondContact O-CB 3.39Å; K242-S245 PolarHBondContact O-N 2.94Å; K242-S245 PolarHBondContact O-OG 3.4Å; I243-S245 VanDerWaalsContact C-N 3.26Å; I243-S245 PolarHBondContact O-N 2.86Å; S245-K247 PolarHBondContact O-N 3.05Å; S245-K247 VanDerWaalsContact O-N 3.14Å; S245-K247 PolarHBondContact OG-N 2.9Å
246G95.1Very high97.7Very high24 Ų2469.9 Ų69.925%0.24736%0.364CS..THydrogen-bonded Turntrans65.67.5-177.800000115.2K242 I243 V244 V248K242-G246 PolarHBondContact O-N 3.45Å; I243-G246 PolarHBondContact O-N 2.91Å; V244-G246 PolarHBondContact O-N 3.34Å; G246-V248 PolarHBondContact O-N 3.2Å
247K96.2Very high97.8Very high173 Ų17371.2 Ų71.275%0.75237%0.366SS*.  trans-84.396-175.7-67.2180-177.2175.70111S245S245-K247 PolarHBondContact O-N 3.05Å; S245-K247 VanDerWaalsContact O-N 3.14Å; S245-K247 PolarHBondContact OG-N 2.9Å
248V97.7Very high97.9Very high31 Ų3166.1 Ų66.119%0.18834%0.339CS..PPolyproline II helixtrans-94129.3176.5-1750000110.8Y222 P230 F231 G246 F250 L266Y222-V248 HydrophobicContact CD2-CG1 4.11Å; Y222-V248 HydrophobicContact CE2-CG1 3.74Å; P230-V248 HydrophobicContact CB-CG1 4.14Å; F231-V248 HydrophobicContact CE1-CG2 3.83Å; F231-V248 HydrophobicContact CE2-CG2 4.39Å; F231-V248 HydrophobicContact CZ-CG2 3.47Å; F231-V248 VanDerWaalsContact CZ-CG2 3.47Å; G246-V248 PolarHBondContact O-N 3.2Å; V248-F250 HydrophobicContact CB-CE1 4.5Å; V248-F250 HydrophobicContact CB-CE2 4.48Å; V248-F250 HydrophobicContact CB-CZ 4.11Å; V248-F250 HydrophobicContact CG1-CD1 4.15Å; V248-F250 HydrophobicContact CG1-CE1 3.63Å; V248-F250 HydrophobicContact CG1-CE2 4.31Å; V248-F250 HydrophobicContact CG1-CZ 3.73Å; V248-L266 HydrophobicContact CG1-CD1 4.23Å; V248-L266 HydrophobicContact CG2-CB 4.27Å; V248-L266 HydrophobicContact CG2-CD1 3.93Å
249K97.5Very high98Very high180 Ų18064.5 Ų64.578%0.78333%0.331SS*.PPolyproline II helixtrans-99.3133.4168.5-68.4-176.2-180-179.80109.3Y222Y222-K249 WeakPolarHBondContact CE2-O 3.28Å; Y222-K249 PolarHBondContact OH-O 2.89Å
250F98.5Very high98Very high52 Ų5267.9 Ų67.923%0.22835%0.349CS..PPolyproline II helixtrans-103.2139.2-179.7-60.5-73.5000111.3Y222 V248 F254 K259 L262 K263Y222-F250 HydrophobicContact CD2-CD1 4.26Å; Y222-F250 HydrophobicContact CD2-CE1 4.3Å; Y222-F250 AromaticContact CE2-CD1 3.99Å; Y222-F250 HydrophobicContact CE2-CD1 3.99Å; Y222-F250 HydrophobicContact CE2-CE1 4.34Å; V248-F250 HydrophobicContact CB-CE1 4.5Å; V248-F250 HydrophobicContact CB-CE2 4.48Å; V248-F250 HydrophobicContact CB-CZ 4.11Å; V248-F250 HydrophobicContact CG1-CD1 4.15Å; V248-F250 HydrophobicContact CG1-CE1 3.63Å; V248-F250 HydrophobicContact CG1-CE2 4.31Å; V248-F250 HydrophobicContact CG1-CZ 3.73Å; F250-F254 HydrophobicContact CB-CD2 4.29Å; F250-F254 AromaticContact CD1-CD2 3.91Å; F250-F254 HydrophobicContact CD1-CD2 3.91Å; F250-F254 HydrophobicContact CD1-CE2 4.17Å; F250-K259 HydrophobicContact CB-CD 4.22Å; F250-K259 HydrophobicContact CB-CG 3.97Å; F250-K259 HydrophobicContact CD1-CG 4.21Å; F250-K259 HydrophobicContact CD2-CG 4.23Å; F250-K259 HydrophobicContact CG-CD 4.49Å; F250-K259 HydrophobicContact CG-CG 3.87Å; F250-L262 HydrophobicContact CD1-CD1 4.19Å; F250-L262 HydrophobicContact CE1-CB 3.7Å; F250-L262 HydrophobicContact CE1-CD1 3.87Å; F250-L262 HydrophobicContact CE1-CG 4.46Å; F250-L262 HydrophobicContact CZ-CB 4.21Å; F250-K263 HydrophobicContact CE2-CG 3.98Å; F250-K263 HydrophobicContact CZ-CG 3.92Å
251P98.4Very high98Very high12 Ų1265.1 Ų65.18%0.07834%0.338CS..PPolyproline II helixtrans-56.1150.2168.9-23.733.3000112.4A226 H253 F254A226-P251 HydrophobicContact CB-CG 4Å; P251-H253 WeakPolarHBondContact CB-CE1 3.31Å; P251-H253 WeakPolarHBondContact CB-ND1 3.37Å; P251-H253 PolarHBondContact O-N 3.4Å; P251-F254 HydrophobicContact CB-CD1 3.9Å; P251-F254 HydrophobicContact CB-CE1 4.1Å; P251-F254 HydrophobicContact CB-CG 4.41Å; P251-F254 HydrophobicContact CG-CD1 3.88Å; P251-F254 HydrophobicContact CG-CE1 3.61Å; P251-F254 HydrophobicContact CG-CE2 4.37Å; P251-F254 HydrophobicContact CG-CG 4.37Å; P251-F254 HydrophobicContact CG-CZ 3.9Å; P251-F254 PolarHBondContact O-N 3.21Å
252S97.9Very high98.1Very high118 Ų11859 Ų5983%0.82531%0.31SS*.THydrogen-bonded Turntrans-61.5-35.4179.353.10000112F254S252-F254 VanDerWaalsContact C-N 3.27Å; S252-F254 PolarHBondContact O-N 2.93Å
253H98.4Very high98.1Very high79 Ų7960.1 Ų60.137%0.36632%0.315SS..THydrogen-bonded Turntrans-75-5.9-17965.2-98.7000115R130 A225 P251R130-H253 PolarHBondContact NH1-CD2 3.14Å; R130-H253 PolarHBondContact NH1-NE2 3.23Å; A225-H253 PolarHBondContact O-NE2 3.44Å; P251-H253 WeakPolarHBondContact CB-CE1 3.31Å; P251-H253 WeakPolarHBondContact CB-ND1 3.37Å; P251-H253 PolarHBondContact O-N 3.4Å
254F98.7Very high98.1Very high6 Ų661.8 Ų61.83%0.02632%0.323CS..SBendtrans-71.2132.4175.1-82.821.1000110.5Y222 A225 A226 F250 P251 S252 L258 K259 L262Y222-F254 AromaticContact CD2-CE2 3.98Å; Y222-F254 HydrophobicContact CD2-CE2 3.98Å; Y222-F254 HydrophobicContact CD2-CZ 4.5Å; Y222-F254 HydrophobicContact CE2-CE2 4.21Å; Y222-F254 HydrophobicContact CG-CE2 4.39Å; A225-F254 HydrophobicContact CB-CE1 3.63Å; A225-F254 HydrophobicContact CB-CZ 3.69Å; A226-F254 HydrophobicContact CB-CE1 4.12Å; A226-F254 HydrophobicContact CB-CZ 3.83Å; F250-F254 HydrophobicContact CB-CD2 4.29Å; F250-F254 AromaticContact CD1-CD2 3.91Å; F250-F254 HydrophobicContact CD1-CD2 3.91Å; F250-F254 HydrophobicContact CD1-CE2 4.17Å; P251-F254 HydrophobicContact CB-CD1 3.9Å; P251-F254 HydrophobicContact CB-CE1 4.1Å; P251-F254 HydrophobicContact CB-CG 4.41Å; P251-F254 HydrophobicContact CG-CD1 3.88Å; P251-F254 HydrophobicContact CG-CE1 3.61Å; P251-F254 HydrophobicContact CG-CE2 4.37Å; P251-F254 HydrophobicContact CG-CG 4.37Å; P251-F254 HydrophobicContact CG-CZ 3.9Å; P251-F254 PolarHBondContact O-N 3.21Å; S252-F254 VanDerWaalsContact C-N 3.27Å; S252-F254 PolarHBondContact O-N 2.93Å; F254-L258 HydrophobicContact CB-CD2 4.16Å; F254-L258 HydrophobicContact CD1-CD2 3.85Å; F254-L258 HydrophobicContact CD2-CD2 3.58Å; F254-L258 HydrophobicContact CD2-CG 3.85Å; F254-L258 HydrophobicContact CE1-CD2 4.07Å; F254-L258 HydrophobicContact CE2-CD2 3.83Å; F254-L258 HydrophobicContact CE2-CG 4.23Å; F254-L258 HydrophobicContact CG-CD2 3.59Å; F254-L258 HydrophobicContact CG-CG 4.22Å; F254-L258 HydrophobicContact CZ-CD2 4.06Å; F254-K259 HydrophobicContact CB-CD 4.33Å; F254-K259 HydrophobicContact CB-CG 3.91Å; F254-K259 HydrophobicContact CD2-CG 4.49Å; F254-K259 WeakPolarHBondContact O-CE 3.49Å; F254-K259 PolarHBondContact O-NZ 2.87Å; F254-L262 HydrophobicContact CD2-CD1 3.98Å; F254-L262 HydrophobicContact CE2-CD1 3.55Å
255S98.8Very high98.2Very high32 Ų3259.2 Ų59.222%0.22431%0.308CS..  trans-59.9159.3171.1690000111.8E133 E257 L258 K259E133-S255 VanDerWaalsContact CD-OG 3.31Å; E133-S255 WeakPolarHBondContact OE1-CB 3.14Å; E133-S255 PolarHBondContact OE1-N 2.79Å; E133-S255 PolarHBondContact OE1-OG 3.03Å; E133-S255 WeakPolarHBondContact OE2-CB 3.37Å; E133-S255 PolarHBondContact OE2-OG 2.79Å; S255-E257 VanDerWaalsContact C-N 3.27Å; S255-E257 PolarHBondContact O-N 3.28Å; S255-L258 PolarHBondContact O-N 3.27Å; S255-L258 VanDerWaalsContact OG-CB 3.24Å; S255-L258 WeakPolarHBondContact OG-CB 3.2Å; S255-L258 PolarHBondContact OG-N 3.45Å; S255-K259 WeakPolarHBondContact O-CG 3.4Å; S255-K259 PolarHBondContact O-N 3.31Å
256N98.7Very high98.3Very high120 Ų12056.8 Ų56.864%0.64229%0.29SS*.Hα-helixtrans-65.5-37.8176.7-71.8-31.1000110.7K259 D260N256-K259 PolarHBondContact O-N 3.37Å; N256-D260 WeakPolarHBondContact O-CB 3.38Å; N256-D260 PolarHBondContact O-N 2.99Å
257E98.7Very high98.4Very high84 Ų8458.3 Ų58.339%0.39329%0.291SS..Hα-helixtrans-63-43.1176.1-64.271.5-159.600111.1S255 D260 L261 H287 K288 W289S255-E257 VanDerWaalsContact C-N 3.27Å; S255-E257 PolarHBondContact O-N 3.28Å; E257-D260 PolarHBondContact O-N 3.09Å; E257-L261 PolarHBondContact O-N 3.47Å; E257-H287 PolarHBondContact O-CE1 3.49Å; E257-K288 HydrophobicContact CG-CB 3.92Å; E257-W289 HydrophobicContact CB-CB 4Å; E257-W289 HydrophobicContact CB-CG 4.46Å
258L98.9Very high98.5Very high0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-64.3-46.8176.617855.2000111.3E133 I221 A225 F254 S255 D260 L261 L262 W289E133-L258 HydrophobicContact CG-CD2 3.86Å; I221-L258 HydrophobicContact CG2-CD1 3.54Å; A225-L258 HydrophobicContact CB-CD2 3.83Å; F254-L258 HydrophobicContact CB-CD2 4.16Å; F254-L258 HydrophobicContact CD1-CD2 3.85Å; F254-L258 HydrophobicContact CD2-CD2 3.58Å; F254-L258 HydrophobicContact CD2-CG 3.85Å; F254-L258 HydrophobicContact CE1-CD2 4.07Å; F254-L258 HydrophobicContact CE2-CD2 3.83Å; F254-L258 HydrophobicContact CE2-CG 4.23Å; F254-L258 HydrophobicContact CG-CD2 3.59Å; F254-L258 HydrophobicContact CG-CG 4.22Å; F254-L258 HydrophobicContact CZ-CD2 4.06Å; S255-L258 PolarHBondContact O-N 3.27Å; S255-L258 VanDerWaalsContact OG-CB 3.24Å; S255-L258 WeakPolarHBondContact OG-CB 3.2Å; S255-L258 PolarHBondContact OG-N 3.45Å; L258-D260 VanDerWaalsContact C-N 3.27Å; L258-D260 PolarHBondContact O-N 2.88Å; L258-L261 PolarHBondContact O-N 3.39Å; L258-L262 HydrophobicContact CD1-CD1 3.74Å; L258-L262 HydrophobicContact CD1-CG 3.89Å; L258-L262 HydrophobicContact CG-CD1 3.86Å; L258-L262 HydrophobicContact CG-CG 4.41Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 VanDerWaalsContact O-CG 3.29Å; L258-L262 WeakPolarHBondContact O-CG 3.43Å; L258-L262 PolarHBondContact O-N 2.82Å; L258-W289 HydrophobicContact CD1-CD2 4.32Å; L258-W289 HydrophobicContact CD1-CZ2 3.91Å
259K98.8Very high98.5Very high45 Ų4553.8 Ų53.820%0.19628%0.276CS..Hα-helixtrans-58.7-41.3177.1-70.2170.9-173.9157.60111.3F250 F254 S255 N256 K263F250-K259 HydrophobicContact CB-CD 4.22Å; F250-K259 HydrophobicContact CB-CG 3.97Å; F250-K259 HydrophobicContact CD1-CG 4.21Å; F250-K259 HydrophobicContact CD2-CG 4.23Å; F250-K259 HydrophobicContact CG-CD 4.49Å; F250-K259 HydrophobicContact CG-CG 3.87Å; F254-K259 HydrophobicContact CB-CD 4.33Å; F254-K259 HydrophobicContact CB-CG 3.91Å; F254-K259 HydrophobicContact CD2-CG 4.49Å; F254-K259 WeakPolarHBondContact O-CE 3.49Å; F254-K259 PolarHBondContact O-NZ 2.87Å; S255-K259 WeakPolarHBondContact O-CG 3.4Å; S255-K259 PolarHBondContact O-N 3.31Å; N256-K259 PolarHBondContact O-N 3.37Å; K259-K263 WeakPolarHBondContact O-CB 3.35Å; K259-K263 VanDerWaalsContact O-CG 3.23Å; K259-K263 WeakPolarHBondContact O-CG 3.39Å; K259-K263 PolarHBondContact O-N 3.13Å
260D98.8Very high98.4Very high75 Ų7547.5 Ų47.540%0.40125%0.25SS..Hα-helixtrans-65.8-47178.9-165.650.9000111.7N256 E257 L258 L262 K263 N264 H287N256-D260 WeakPolarHBondContact O-CB 3.38Å; N256-D260 PolarHBondContact O-N 2.99Å; E257-D260 PolarHBondContact O-N 3.09Å; L258-D260 VanDerWaalsContact C-N 3.27Å; L258-D260 PolarHBondContact O-N 2.88Å; D260-L262 VanDerWaalsContact C-N 3.34Å; D260-L262 PolarHBondContact O-N 3.27Å; D260-K263 PolarHBondContact O-N 3.22Å; D260-N264 PolarHBondContact O-N 3.01Å; D260-N264 PolarHBondContact O-ND2 3.48Å; D260-H287 IonicContact OD2-NE2 3.8Å; D260-H287 PolarHBondContact OD2-NE2 3.02Å; D260-H287 VanDerWaalsContact OD2-NE2 3.14Å
261L98.9Very high98.3Very high0 Ų050.1 Ų50.10%027%0.271CS..Hα-helixtrans-57-49.3175.1179.360.3000111.3I221 E257 L258 K263 N264 L265 Y274 H287 W289 F290I221-L261 HydrophobicContact CD1-CD2 4.13Å; E257-L261 PolarHBondContact O-N 3.47Å; L258-L261 PolarHBondContact O-N 3.39Å; L261-K263 PolarHBondContact O-N 2.88Å; L261-N264 PolarHBondContact O-N 3.49Å; L261-N264 VanDerWaalsContact O-N 3.08Å; L261-L265 HydrophobicContact CD1-CD1 3.95Å; L261-L265 HydrophobicContact CD1-CG 4.19Å; L261-L265 HydrophobicContact CD2-CD1 4.42Å; L261-L265 HydrophobicContact CG-CD1 3.89Å; L261-L265 HydrophobicContact CG-CG 4.46Å; L261-L265 PolarHBondContact O-N 3.33Å; L261-Y274 HydrophobicContact CD1-CD2 4.48Å; L261-H287 HydrophobicContact CD1-CB 4.14Å; L261-H287 PolarHBondContact N-CE1 3.34Å; L261-W289 HydrophobicContact CB-CB 4.33Å; L261-W289 HydrophobicContact CD2-CB 4.12Å; L261-W289 HydrophobicContact CD2-CD2 3.94Å; L261-W289 HydrophobicContact CD2-CE3 3.43Å; L261-W289 VanDerWaalsContact CD2-CE3 3.43Å; L261-W289 HydrophobicContact CD2-CG 4.25Å; L261-W289 HydrophobicContact CD2-CZ3 4.08Å; L261-F290 HydrophobicContact CD2-CD2 4.24Å; L261-F290 HydrophobicContact CD2-CE2 3.72Å
262L98.9Very high98.3Very high0 Ų055.2 Ų55.20%029%0.292CS..Hα-helixtrans-65.3-36.7-177.2-70.6174.5000112.4G218 I221 Y222 F250 F254 L258 D260 N264 L265 L266G218-L262 WeakPolarHBondContact O-CD2 3.28Å; I221-L262 HydrophobicContact CB-CD2 3.97Å; I221-L262 HydrophobicContact CG2-CD2 3.88Å; I221-L262 HydrophobicContact CG2-CG 4.49Å; Y222-L262 HydrophobicContact CD2-CD1 4.04Å; F250-L262 HydrophobicContact CD1-CD1 4.19Å; F250-L262 HydrophobicContact CE1-CB 3.7Å; F250-L262 HydrophobicContact CE1-CD1 3.87Å; F250-L262 HydrophobicContact CE1-CG 4.46Å; F250-L262 HydrophobicContact CZ-CB 4.21Å; F254-L262 HydrophobicContact CD2-CD1 3.98Å; F254-L262 HydrophobicContact CE2-CD1 3.55Å; L258-L262 HydrophobicContact CD1-CD1 3.74Å; L258-L262 HydrophobicContact CD1-CG 3.89Å; L258-L262 HydrophobicContact CG-CD1 3.86Å; L258-L262 HydrophobicContact CG-CG 4.41Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 VanDerWaalsContact O-CG 3.29Å; L258-L262 WeakPolarHBondContact O-CG 3.43Å; L258-L262 PolarHBondContact O-N 2.82Å; D260-L262 VanDerWaalsContact C-N 3.34Å; D260-L262 PolarHBondContact O-N 3.27Å; L262-N264 PolarHBondContact O-N 2.65Å; L262-L265 PolarHBondContact O-N 3.07Å; L262-L266 WeakPolarHBondContact O-CA 3.4Å; L262-L266 VanDerWaalsContact O-CB 3.24Å; L262-L266 WeakPolarHBondContact O-CB 2.94Å; L262-L266 PolarHBondContact O-N 3.43Å
263K98.7Very high98.4Very high118 Ų11849.6 Ų49.651%0.51325%0.252SS..Hα-helixtrans-61.5-31.6173-76.8170.8-177.81780112.6F250 K259 D260 L261F250-K263 HydrophobicContact CE2-CG 3.98Å; F250-K263 HydrophobicContact CZ-CG 3.92Å; K259-K263 WeakPolarHBondContact O-CB 3.35Å; K259-K263 VanDerWaalsContact O-CG 3.23Å; K259-K263 WeakPolarHBondContact O-CG 3.39Å; K259-K263 PolarHBondContact O-N 3.13Å; D260-K263 PolarHBondContact O-N 3.22Å; L261-K263 PolarHBondContact O-N 2.88Å
264N98.7Very high98.4Very high34 Ų3448 Ų4818%0.18224%0.244CC..Hα-helixtrans-84.9-26.3179.6-75.2-66.6000113.3D260 L261 L262 R273 Y274D260-N264 PolarHBondContact O-N 3.01Å; D260-N264 PolarHBondContact O-ND2 3.48Å; L261-N264 PolarHBondContact O-N 3.49Å; L261-N264 VanDerWaalsContact O-N 3.08Å; L262-N264 PolarHBondContact O-N 2.65Å; N264-R273 WeakPolarHBondContact O-CA 3.41Å; N264-Y274 HydrophobicContact CB-CD1 3.54Å; N264-Y274 HydrophobicContact CB-CD2 3.84Å; N264-Y274 HydrophobicContact CB-CE1 3.64Å; N264-Y274 HydrophobicContact CB-CE2 3.95Å; N264-Y274 HydrophobicContact CB-CG 3.63Å; N264-Y274 VanDerWaalsContact CG-CE1 3.47Å; N264-Y274 PolarHBondContact O-N 2.81Å; N264-Y274 WeakPolarHBondContact OD1-CE1 3.28Å
265L98.8Very high98.3Very high0 Ų048.3 Ų48.30%025%0.248CC..Hα-helixtrans-85.7-46.8173.7-69.5173.1000112.8W214 L217 I221 L261 L262 Q267 R273 I284W214-L265 HydrophobicContact CB-CD2 4.39Å; L217-L265 HydrophobicContact CD2-CD1 4.37Å; L217-L265 HydrophobicContact CG-CD1 4.34Å; I221-L265 HydrophobicContact CD1-CD1 4.01Å; L261-L265 HydrophobicContact CD1-CD1 3.95Å; L261-L265 HydrophobicContact CD1-CG 4.19Å; L261-L265 HydrophobicContact CD2-CD1 4.42Å; L261-L265 HydrophobicContact CG-CD1 3.89Å; L261-L265 HydrophobicContact CG-CG 4.46Å; L261-L265 PolarHBondContact O-N 3.33Å; L262-L265 PolarHBondContact O-N 3.07Å; L265-Q267 PolarHBondContact O-N 3.45Å; L265-R273 WeakPolarHBondContact O-CD 3.36Å; L265-R273 WeakPolarHBondContact O-CG 3.26Å; L265-I284 HydrophobicContact CD2-CD1 3.79Å; L265-I284 HydrophobicContact CD2-CG1 4.09Å
266L98.8Very high98.3Very high9 Ų949.5 Ų49.55%0.04725%0.252CS..SBendtrans-80.441.4176.3-58.5177000111.4W215 V219 P230 V248 L262W215-L266 HydrophobicContact CD2-CD2 4.14Å; W215-L266 HydrophobicContact CE3-CD2 4.43Å; W215-L266 HydrophobicContact CH2-CB 4.45Å; W215-L266 HydrophobicContact CZ2-CD2 4.27Å; W215-L266 HydrophobicContact CZ3-CB 4.29Å; W215-L266 WeakPolarHBondContact CZ3-O 3.35Å; V219-L266 HydrophobicContact CG2-CD2 3.7Å; P230-L266 HydrophobicContact CB-CD1 4.24Å; P230-L266 HydrophobicContact CG-CD1 4.17Å; V248-L266 HydrophobicContact CG1-CD1 4.23Å; V248-L266 HydrophobicContact CG2-CB 4.27Å; V248-L266 HydrophobicContact CG2-CD1 3.93Å; L262-L266 WeakPolarHBondContact O-CA 3.4Å; L262-L266 VanDerWaalsContact O-CB 3.24Å; L262-L266 WeakPolarHBondContact O-CB 2.94Å; L262-L266 PolarHBondContact O-N 3.43Å
267Q98.4Very high98.2Very high56 Ų5646.4 Ų46.426%0.26224%0.235SC..  trans-94.1118.3-177.9179.651.6-104.200110L265 D269 K272 R273L265-Q267 PolarHBondContact O-N 3.45Å; Q267-D269 VanDerWaalsContact C-N 3.33Å; Q267-D269 HydrophobicContact CG-CB 4.35Å; Q267-D269 WeakPolarHBondContact CG-O 3.43Å; Q267-K272 HydrophobicContact CG-CB 3.69Å; Q267-R273 HydrophobicContact CB-CB 4.1Å; Q267-R273 HydrophobicContact CB-CG 4.27Å; Q267-R273 HydrophobicContact CG-CB 4.45Å; Q267-R273 VanDerWaalsContact O-CZ 3.31Å; Q267-R273 PolarHBondContact O-NE 3.23Å; Q267-R273 PolarHBondContact O-NH2 2.81Å
268V98.1Very high98.1Very high55 Ų5552.3 Ų52.333%0.33326%0.259SS..SBendtrans-66.8-37.1179.3-179.60000111P200 W215 L270P200-V268 HydrophobicContact CB-CG1 4.18Å; P200-V268 HydrophobicContact CG-CB 4.49Å; P200-V268 HydrophobicContact CG-CG1 4.24Å; P200-V268 HydrophobicContact CG-CG2 4.11Å; W215-V268 HydrophobicContact CH2-CG2 4.41Å; W215-V268 HydrophobicContact CZ3-CG2 4.34Å; V268-L270 PolarHBondContact O-N 3.48Å
269D97.3Very high98Very high55 Ų5557.2 Ų57.229%0.29429%0.286SS..SBendtrans-75.9104.6176-176.6-6.7000111.2Q267 T271 K272 R273Q267-D269 VanDerWaalsContact C-N 3.33Å; Q267-D269 HydrophobicContact CG-CB 4.35Å; Q267-D269 WeakPolarHBondContact CG-O 3.43Å; D269-T271 VanDerWaalsContact CG-OG1 3.23Å; D269-T271 PolarHBondContact O-N 3.23Å; D269-T271 WeakPolarHBondContact OD1-CB 3.3Å; D269-T271 PolarHBondContact OD1-N 3.28Å; D269-T271 PolarHBondContact OD1-OG1 3.41Å; D269-T271 PolarHBondContact OD2-OG1 2.86Å; D269-K272 HydrophobicContact CB-CB 4.44Å; D269-K272 HydrophobicContact CB-CD 4.27Å; D269-K272 HydrophobicContact CB-CG 4.48Å; D269-K272 PolarHBondContact O-N 3.38Å; D269-K272 WeakPolarHBondContact OD2-CD 3.48Å; D269-K272 WeakPolarHBondContact OD2-CE 3.5Å; D269-K272 IonicContact OD2-NZ 3.14Å; D269-K272 PolarHBondContact OD2-NZ 2.86Å; D269-R273 PolarHBondContact O-N 2.5Å
270L96Very high97.8Very high47 Ų4756 Ų5625%0.24629%0.286CS..THydrogen-bonded Turntrans-54.5-25.8179.2-72.7175.5000114E201 A211 V268 K272 N276E201-L270 WeakPolarHBondContact OE1-CD2 3.47Å; A211-L270 HydrophobicContact CB-CD2 3.81Å; V268-L270 PolarHBondContact O-N 3.48Å; L270-K272 PolarHBondContact O-N 2.86Å; L270-N276 PolarHBondContact O-ND2 3.49Å
271T96.5Very high97.8Very high107 Ų10753.6 Ų53.666%0.65627%0.274SS*.THydrogen-bonded Turntrans-75.3-9.2179.2710000113.1D269 L277D269-T271 VanDerWaalsContact CG-OG1 3.23Å; D269-T271 PolarHBondContact O-N 3.23Å; D269-T271 WeakPolarHBondContact OD1-CB 3.3Å; D269-T271 PolarHBondContact OD1-N 3.28Å; D269-T271 PolarHBondContact OD1-OG1 3.41Å; D269-T271 PolarHBondContact OD2-OG1 2.86Å; T271-L277 WeakPolarHBondContact O-CD2 3.44Å
272K98.1Very high97.7Very high120 Ų12055.2 Ų55.252%0.52229%0.287SS..THydrogen-bonded Turntrans-119.9-7.9-179.2-63.4176.7-171.3163.80113Q267 D269 L270 Y274Q267-K272 HydrophobicContact CG-CB 3.69Å; D269-K272 HydrophobicContact CB-CB 4.44Å; D269-K272 HydrophobicContact CB-CD 4.27Å; D269-K272 HydrophobicContact CB-CG 4.48Å; D269-K272 PolarHBondContact O-N 3.38Å; D269-K272 WeakPolarHBondContact OD2-CD 3.48Å; D269-K272 WeakPolarHBondContact OD2-CE 3.5Å; D269-K272 IonicContact OD2-NZ 3.14Å; D269-K272 PolarHBondContact OD2-NZ 2.86Å; L270-K272 PolarHBondContact O-N 2.86Å; K272-Y274 PolarHBondContact O-N 2.94Å
273R98.7Very high97.7Very high0 Ų056.6 Ų56.60%030%0.295CS..  trans-72.4125.6-178.1-166.5-179.2-60.5160.54.2111.2E201 A211 N264 L265 Q267 D269 N276 L277E201-R273 IonicContact OE1-CZ 3.35Å; E201-R273 IonicContact OE1-NH1 3.08Å; E201-R273 PolarHBondContact OE1-NH1 3.24Å; E201-R273 IonicContact OE1-NH2 3.55Å; E201-R273 IonicContact OE2-CZ 2.88Å; E201-R273 IonicContact OE2-NH1 3.98Å; E201-R273 IonicContact OE2-NH2 2.79Å; E201-R273 PolarHBondContact OE2-NH2 3.3Å; A211-R273 PolarHBondContact O-NH1 2.82Å; N264-R273 WeakPolarHBondContact O-CA 3.41Å; L265-R273 WeakPolarHBondContact O-CD 3.36Å; L265-R273 WeakPolarHBondContact O-CG 3.26Å; Q267-R273 HydrophobicContact CB-CB 4.1Å; Q267-R273 HydrophobicContact CB-CG 4.27Å; Q267-R273 HydrophobicContact CG-CB 4.45Å; Q267-R273 VanDerWaalsContact O-CZ 3.31Å; Q267-R273 PolarHBondContact O-NE 3.23Å; Q267-R273 PolarHBondContact O-NH2 2.81Å; D269-R273 PolarHBondContact O-N 2.5Å; R273-N276 PolarHBondContact O-N 3.28Å; R273-N276 VanDerWaalsContact O-N 3.14Å; R273-L277 WeakPolarHBondContact O-CG 3.48Å
274Y98.7Very high97.7Very high46 Ų4651 Ų5118%0.1827%0.27CS..THydrogen-bonded Turntrans-58.4147174.2-86.625.8000111.5L261 N264 K272 N276 L277 D283 I284 H287L261-Y274 HydrophobicContact CD1-CD2 4.48Å; N264-Y274 HydrophobicContact CB-CD1 3.54Å; N264-Y274 HydrophobicContact CB-CD2 3.84Å; N264-Y274 HydrophobicContact CB-CE1 3.64Å; N264-Y274 HydrophobicContact CB-CE2 3.95Å; N264-Y274 HydrophobicContact CB-CG 3.63Å; N264-Y274 VanDerWaalsContact CG-CE1 3.47Å; N264-Y274 PolarHBondContact O-N 2.81Å; N264-Y274 WeakPolarHBondContact OD1-CE1 3.28Å; K272-Y274 PolarHBondContact O-N 2.94Å; Y274-N276 PolarHBondContact O-N 3.34Å; Y274-L277 HydrophobicContact CD1-CD1 3.87Å; Y274-L277 HydrophobicContact CE1-CD1 4.12Å; Y274-D283 HydrophobicContact CD1-CB 4.31Å; Y274-D283 HydrophobicContact CD2-CB 4.01Å; Y274-D283 WeakPolarHBondContact CD2-O 3.44Å; Y274-D283 HydrophobicContact CE2-CB 4.19Å; Y274-D283 VanDerWaalsContact CE2-O 3.29Å; Y274-D283 WeakPolarHBondContact CE2-O 3.23Å; Y274-D283 HydrophobicContact CG-CB 4.07Å; Y274-I284 HydrophobicContact CD2-CG1 4.33Å; Y274-H287 AromaticContact CE2-CD2 3.82Å
275G98.2Very high97.6Very high12 Ų1250.3 Ų50.312%0.12427%0.266CS..THydrogen-bonded Turntrans83.7-20.1-171.200000114.2W214 G280W214-G275 PolarHBondContact NE1-O 2.71Å; G275-G280 WeakPolarHBondContact CA-O 3.45Å; G275-G280 PolarHBondContact N-O 3.23Å
276N97.7Very high97.6Very high56 Ų5655.7 Ų55.730%0.29930%0.295SS..SBendtrans-111.63.1178-167.561.4000113.7N209 A211 L270 R273 Y274N209-N276 PolarHBondContact ND2-OD1 3.01Å; A211-N276 HydrophobicContact CB-CB 3.86Å; L270-N276 PolarHBondContact O-ND2 3.49Å; R273-N276 PolarHBondContact O-N 3.28Å; R273-N276 VanDerWaalsContact O-N 3.14Å; Y274-N276 PolarHBondContact O-N 3.34Å
277L97.4Very high97.6Very high55 Ų5555.9 Ų55.929%0.28830%0.295SS..SBendtrans-84.2-179.4176.1-51.3-174.9000111.4T271 R273 Y274 N279 G280 D283T271-L277 WeakPolarHBondContact O-CD2 3.44Å; R273-L277 WeakPolarHBondContact O-CG 3.48Å; Y274-L277 HydrophobicContact CD1-CD1 3.87Å; Y274-L277 HydrophobicContact CE1-CD1 4.12Å; L277-N279 VanDerWaalsContact C-N 3.28Å; L277-N279 PolarHBondContact O-N 3.27Å; L277-G280 WeakPolarHBondContact O-CA 3.23Å; L277-G280 PolarHBondContact O-N 2.84Å; L277-D283 WeakPolarHBondContact CB-OD2 3.38Å
278K96.4Very high97.6Very high208 Ų20861 Ų6190%0.90432%0.316SS*.THydrogen-bonded Turntrans-56.5-37.1-179.7-174.1179.1177.1-176.90113.6G280K278-G280 VanDerWaalsContact C-N 3.3Å
279N95.5Very high97.6Very high103 Ų10358.6 Ų58.655%0.55130%0.301SS*.THydrogen-bonded Turntrans-86.5-3.4177.9-50.8-39.9000112.6L277 V281 A282 D283L277-N279 VanDerWaalsContact C-N 3.28Å; L277-N279 PolarHBondContact O-N 3.27Å; N279-V281 PolarHBondContact O-N 2.87Å; N279-A282 HydrophobicContact CB-CB 4.22Å; N279-A282 VanDerWaalsContact O-CB 3.29Å; N279-A282 WeakPolarHBondContact O-CB 3.49Å; N279-A282 PolarHBondContact O-N 3.18Å; N279-A282 VanDerWaalsContact O-N 3.09Å; N279-D283 WeakPolarHBondContact CB-OD1 3.05Å; N279-D283 PolarHBondContact ND2-OD1 3.11Å
280G96.4Very high97.7Very high19 Ų1956 Ų5620%0.19629%0.288CS..THydrogen-bonded Turntrans55.4-127.6177.600000112.7G275 L277 K278 A282 D283G275-G280 WeakPolarHBondContact CA-O 3.45Å; G275-G280 PolarHBondContact N-O 3.23Å; L277-G280 WeakPolarHBondContact O-CA 3.23Å; L277-G280 PolarHBondContact O-N 2.84Å; K278-G280 VanDerWaalsContact C-N 3.3Å; G280-A282 PolarHBondContact O-N 3.05Å; G280-D283 PolarHBondContact O-N 2.66Å
281V97.3Very high97.8Very high26 Ų2657 Ų5716%0.15831%0.309CS..THydrogen-bonded Turntrans-63.3-21.4-179.868.60000113.4V144 E148 W214 N279 D283 I284 K285V144-V281 HydrophobicContact CG1-CG2 3.69Å; E148-V281 HydrophobicContact CB-CG1 4.45Å; E148-V281 HydrophobicContact CB-CG2 4.29Å; E148-V281 HydrophobicContact CG-CG1 4.01Å; E148-V281 WeakPolarHBondContact OE1-CG1 3.43Å; W214-V281 HydrophobicContact CH2-CB 4.19Å; W214-V281 HydrophobicContact CH2-CG2 3.55Å; W214-V281 HydrophobicContact CZ2-CB 4.08Å; W214-V281 HydrophobicContact CZ2-CG2 3.96Å; W214-V281 HydrophobicContact CZ3-CG2 4.4Å; N279-V281 PolarHBondContact O-N 2.87Å; V281-D283 PolarHBondContact O-N 2.75Å; V281-I284 WeakPolarHBondContact O-CB 3.09Å; V281-I284 PolarHBondContact O-N 2.84Å; V281-K285 HydrophobicContact CG2-CD 4.47Å; V281-K285 HydrophobicContact CG2-CG 4.25Å; V281-K285 PolarHBondContact O-N 3.47Å
282A97Very high97.7Very high33 Ų3356.4 Ų56.427%0.27331%0.309SS..Hα-helixtrans-65.6-28.8179.800000112.4N279 G280 I284 K285 N286N279-A282 HydrophobicContact CB-CB 4.22Å; N279-A282 VanDerWaalsContact O-CB 3.29Å; N279-A282 WeakPolarHBondContact O-CB 3.49Å; N279-A282 PolarHBondContact O-N 3.18Å; N279-A282 VanDerWaalsContact O-N 3.09Å; G280-A282 PolarHBondContact O-N 3.05Å; A282-I284 PolarHBondContact O-N 3.14Å; A282-K285 PolarHBondContact O-N 3.06Å; A282-N286 VanDerWaalsContact O-CB 3.27Å; A282-N286 WeakPolarHBondContact O-CB 3.5Å; A282-N286 PolarHBondContact O-N 2.86Å; A282-N286 PolarHBondContact O-ND2 2.76Å; A282-N286 VanDerWaalsContact O-ND2 3.12Å
283D98.2Very high97.7Very high30 Ų3051.8 Ų51.816%0.1629%0.291CS..Hα-helixtrans-64.5-31173.6-66.6-39.6000111.6Y274 L277 N279 G280 V281Y274-D283 HydrophobicContact CD1-CB 4.31Å; Y274-D283 HydrophobicContact CD2-CB 4.01Å; Y274-D283 WeakPolarHBondContact CD2-O 3.44Å; Y274-D283 HydrophobicContact CE2-CB 4.19Å; Y274-D283 VanDerWaalsContact CE2-O 3.29Å; Y274-D283 WeakPolarHBondContact CE2-O 3.23Å; Y274-D283 HydrophobicContact CG-CB 4.07Å; L277-D283 WeakPolarHBondContact CB-OD2 3.38Å; N279-D283 WeakPolarHBondContact CB-OD1 3.05Å; N279-D283 PolarHBondContact ND2-OD1 3.11Å; G280-D283 PolarHBondContact O-N 2.66Å; V281-D283 PolarHBondContact O-N 2.75Å
284I98.7Very high97.7Very high0 Ų055.9 Ų55.90%031%0.313CS..Hα-helixtrans-77.9-50.2174.6-57.4171.8000109.8V144 W214 L265 Y274 V281 A282 N286 H287 F290V144-I284 HydrophobicContact CG1-CG2 4.46Å; V144-I284 HydrophobicContact CG2-CG2 3.81Å; W214-I284 HydrophobicContact CD2-CD1 3.64Å; W214-I284 HydrophobicContact CE3-CD1 3.25Å; W214-I284 HydrophobicContact CG-CD1 4.29Å; W214-I284 HydrophobicContact CH2-CD1 4.19Å; W214-I284 HydrophobicContact CZ2-CD1 4.49Å; W214-I284 HydrophobicContact CZ3-CD1 3.56Å; L265-I284 HydrophobicContact CD2-CD1 3.79Å; L265-I284 HydrophobicContact CD2-CG1 4.09Å; Y274-I284 HydrophobicContact CD2-CG1 4.33Å; V281-I284 WeakPolarHBondContact O-CB 3.09Å; V281-I284 PolarHBondContact O-N 2.84Å; A282-I284 PolarHBondContact O-N 3.14Å; I284-N286 VanDerWaalsContact C-N 3.3Å; I284-N286 PolarHBondContact O-N 3.28Å; I284-H287 VanDerWaalsContact O-CB 3.25Å; I284-H287 WeakPolarHBondContact O-CB 3.3Å; I284-H287 PolarHBondContact O-N 2.91Å; I284-H287 VanDerWaalsContact O-N 3.15Å; I284-F290 HydrophobicContact CG2-CD2 4.28Å; I284-F290 HydrophobicContact CG2-CE2 3.73Å; I284-F290 VanDerWaalsContact O-CD2 3.28Å; I284-F290 WeakPolarHBondContact O-CD2 3.23Å
285K98.2Very high97.6Very high20 Ų2054.6 Ų54.69%0.08731%0.308CS..Hα-helixtrans-63-34.8-175.1-73.8-174.8170.2177.70114V144 E148 V281 A282 W295V144-K285 HydrophobicContact CG1-CG 3.86Å; E148-K285 IonicContact OE1-NZ 3.14Å; E148-K285 PolarHBondContact OE1-NZ 3.44Å; E148-K285 WeakPolarHBondContact OE2-CE 3.33Å; E148-K285 IonicContact OE2-NZ 2.69Å; E148-K285 PolarHBondContact OE2-NZ 2.93Å; V281-K285 HydrophobicContact CG2-CD 4.47Å; V281-K285 HydrophobicContact CG2-CG 4.25Å; V281-K285 PolarHBondContact O-N 3.47Å; A282-K285 PolarHBondContact O-N 3.06Å; K285-W295 VanDerWaalsContact CA-CZ2 3.43Å; K285-W295 HydrophobicContact CB-CD2 4.44Å; K285-W295 HydrophobicContact CB-CH2 4.42Å; K285-W295 HydrophobicContact CB-CZ2 3.75Å; K285-W295 HydrophobicContact CD-CD2 4.11Å; K285-W295 HydrophobicContact CD-CE3 4.35Å; K285-W295 HydrophobicContact CD-CG 4.5Å; K285-W295 HydrophobicContact CG-CD2 4Å; K285-W295 HydrophobicContact CG-CE3 4.2Å; K285-W295 HydrophobicContact CG-CH2 3.86Å; K285-W295 HydrophobicContact CG-CZ2 3.65Å; K285-W295 HydrophobicContact CG-CZ3 4.11Å; K285-W295 PolarHBondContact O-NE1 2.7Å
286N97.9Very high97.4Very high113 Ų11356.9 Ų56.960%0.60432%0.317SS*.THydrogen-bonded Turntrans-91.50-179.4-62.1-36.2000112.9A282 I284A282-N286 VanDerWaalsContact O-CB 3.27Å; A282-N286 WeakPolarHBondContact O-CB 3.5Å; A282-N286 PolarHBondContact O-N 2.86Å; A282-N286 PolarHBondContact O-ND2 2.76Å; A282-N286 VanDerWaalsContact O-ND2 3.12Å; I284-N286 VanDerWaalsContact C-N 3.3Å; I284-N286 PolarHBondContact O-N 3.28Å
287H98.7Very high97.4Very high12 Ų1254.8 Ų54.86%0.05631%0.307CS..SBendtrans-63.6142.8177.6-173-89.2000110.9E257 D260 L261 Y274 I284 W289 F290 G291E257-H287 PolarHBondContact O-CE1 3.49Å; D260-H287 IonicContact OD2-NE2 3.8Å; D260-H287 PolarHBondContact OD2-NE2 3.02Å; D260-H287 VanDerWaalsContact OD2-NE2 3.14Å; L261-H287 HydrophobicContact CD1-CB 4.14Å; L261-H287 PolarHBondContact N-CE1 3.34Å; Y274-H287 AromaticContact CE2-CD2 3.82Å; I284-H287 VanDerWaalsContact O-CB 3.25Å; I284-H287 WeakPolarHBondContact O-CB 3.3Å; I284-H287 PolarHBondContact O-N 2.91Å; I284-H287 VanDerWaalsContact O-N 3.15Å; H287-W289 WeakPolarHBondContact ND1-CB 3.48Å; H287-W289 PolarHBondContact ND1-N 3.47Å; H287-W289 PolarHBondContact O-N 3.38Å; H287-W289 VanDerWaalsContact O-N 3.08Å; H287-F290 WeakPolarHBondContact O-CA 3.49Å; H287-F290 PolarHBondContact O-N 3Å; H287-G291 PolarHBondContact O-N 3.39Å
288K98.5Very high97.4Very high164 Ų16452.5 Ų52.571%0.71330%0.295SS*.G310 helixtrans-54.2-34.5-175.9-68.7-178.2-179.9177.60113.7E257 F290 G291E257-K288 HydrophobicContact CG-CB 3.92Å; K288-F290 PolarHBondContact O-N 2.88Å; K288-G291 PolarHBondContact O-N 3.22Å
289W98.8Very high97.4Very high4 Ų446.1 Ų46.12%0.01527%0.265CS..G310 helixtrans-60.6-29.7176.5-167.974.5000112.9E133 R137 A140 I221 E257 L258 L261 H287E133-W289 HydrophobicContact CB-CZ2 4.41Å; E133-W289 PolarHBondContact OE2-NE1 2.74Å; R137-W289 HydrophobicContact CB-CE3 4.38Å; R137-W289 HydrophobicContact CB-CH2 3.55Å; R137-W289 HydrophobicContact CB-CZ2 3.89Å; R137-W289 HydrophobicContact CB-CZ3 3.8Å; R137-W289 WeakPolarHBondContact CD-O 3.35Å; R137-W289 HydrophobicContact CG-CE3 4.09Å; R137-W289 HydrophobicContact CG-CH2 4.14Å; R137-W289 HydrophobicContact CG-CZ3 3.85Å; R137-W289 PolarHBondContact NE-O 3.42Å; A140-W289 HydrophobicContact CB-CH2 4.33Å; A140-W289 HydrophobicContact CB-CZ3 4.03Å; I221-W289 HydrophobicContact CD1-CZ3 4.32Å; I221-W289 HydrophobicContact CG2-CH2 3.91Å; I221-W289 HydrophobicContact CG2-CZ2 4.36Å; I221-W289 HydrophobicContact CG2-CZ3 4.33Å; E257-W289 HydrophobicContact CB-CB 4Å; E257-W289 HydrophobicContact CB-CG 4.46Å; L258-W289 HydrophobicContact CD1-CD2 4.32Å; L258-W289 HydrophobicContact CD1-CZ2 3.91Å; L261-W289 HydrophobicContact CB-CB 4.33Å; L261-W289 HydrophobicContact CD2-CB 4.12Å; L261-W289 HydrophobicContact CD2-CD2 3.94Å; L261-W289 HydrophobicContact CD2-CE3 3.43Å; L261-W289 VanDerWaalsContact CD2-CE3 3.43Å; L261-W289 HydrophobicContact CD2-CG 4.25Å; L261-W289 HydrophobicContact CD2-CZ3 4.08Å; H287-W289 WeakPolarHBondContact ND1-CB 3.48Å; H287-W289 PolarHBondContact ND1-N 3.47Å; H287-W289 PolarHBondContact O-N 3.38Å; H287-W289 VanDerWaalsContact O-N 3.08Å
290F98.7Very high97.4Very high2 Ų245.8 Ų45.81%0.00926%0.261CS..G310 helixtrans-92.57.9172.4-73.5-74.5000113.2R137 A140 A141 V144 L261 I284 H287 K288 S292 T293 W295R137-F290 HydrophobicContact CG-CD1 3.73Å; R137-F290 HydrophobicContact CG-CE1 3.92Å; A140-F290 HydrophobicContact CB-CE1 4.1Å; A140-F290 HydrophobicContact CB-CZ 3.88Å; A141-F290 HydrophobicContact CB-CE1 4.15Å; V144-F290 HydrophobicContact CG2-CZ 4.17Å; L261-F290 HydrophobicContact CD2-CD2 4.24Å; L261-F290 HydrophobicContact CD2-CE2 3.72Å; I284-F290 HydrophobicContact CG2-CD2 4.28Å; I284-F290 HydrophobicContact CG2-CE2 3.73Å; I284-F290 VanDerWaalsContact O-CD2 3.28Å; I284-F290 WeakPolarHBondContact O-CD2 3.23Å; H287-F290 WeakPolarHBondContact O-CA 3.49Å; H287-F290 PolarHBondContact O-N 3Å; K288-F290 PolarHBondContact O-N 2.88Å; F290-S292 PolarHBondContact O-N 2.96Å; F290-T293 WeakPolarHBondContact CA-OG1 3.11Å; F290-T293 HydrophobicContact CD1-CG2 4.35Å; F290-T293 WeakPolarHBondContact CD1-OG1 3.16Å; F290-T293 WeakPolarHBondContact O-CA 3.22Å; F290-T293 WeakPolarHBondContact O-CB 3.39Å; F290-T293 PolarHBondContact O-N 2.88Å; F290-T293 PolarHBondContact O-OG1 3.08Å; F290-W295 HydrophobicContact CB-CH2 4.48Å; F290-W295 HydrophobicContact CB-CZ2 3.74Å; F290-W295 AromaticContact CD1-CH2 3.62Å; F290-W295 HydrophobicContact CD1-CH2 3.62Å; F290-W295 AromaticContact CD1-CZ2 3.71Å; F290-W295 HydrophobicContact CD1-CZ2 3.71Å; F290-W295 HydrophobicContact CD2-CH2 4.36Å; F290-W295 HydrophobicContact CD2-CZ2 4.28Å; F290-W295 AromaticContact CE1-CH2 3.81Å; F290-W295 HydrophobicContact CE1-CH2 3.81Å; F290-W295 HydrophobicContact CE1-CZ2 4.36Å; F290-W295 AromaticContact CG-CH2 3.92Å; F290-W295 HydrophobicContact CG-CH2 3.92Å; F290-W295 AromaticContact CG-CZ2 3.66Å; F290-W295 HydrophobicContact CG-CZ2 3.66Å; F290-W295 HydrophobicContact CZ-CH2 4.24Å
291G97.3Very high97.4Very high67 Ų6748.1 Ų48.169%0.69127%0.265SS*.THydrogen-bonded Turntrans-57.8-23.8-171.800000115.4H287 K288H287-G291 PolarHBondContact O-N 3.39Å; K288-G291 PolarHBondContact O-N 3.22Å
292S96.2Very high97.5Very high94 Ų9453.8 Ų53.866%0.65729%0.288SS*.THydrogen-bonded Turntrans-959.517572.90000114.1F290F290-S292 PolarHBondContact O-N 2.96Å
293T98.1Very high97.5Very high23 Ų2355.3 Ų55.314%0.14129%0.291CS..  trans-95.1115.9-171.8-48.90000110.2R137 A141 F290 W295 I298R137-T293 WeakPolarHBondContact CD-OG1 3.27Å; A141-T293 HydrophobicContact CB-CG2 3.77Å; F290-T293 WeakPolarHBondContact CA-OG1 3.11Å; F290-T293 HydrophobicContact CD1-CG2 4.35Å; F290-T293 WeakPolarHBondContact CD1-OG1 3.16Å; F290-T293 WeakPolarHBondContact O-CA 3.22Å; F290-T293 WeakPolarHBondContact O-CB 3.39Å; F290-T293 PolarHBondContact O-N 2.88Å; F290-T293 PolarHBondContact O-OG1 3.08Å; T293-W295 HydrophobicContact CG2-CD2 4.16Å; T293-W295 HydrophobicContact CG2-CE3 4.37Å; T293-W295 HydrophobicContact CG2-CH2 4.43Å; T293-W295 HydrophobicContact CG2-CZ2 4.19Å; T293-W295 PolarHBondContact O-N 2.85Å; T293-I298 HydrophobicContact CG2-CG1 4.2Å
294D96.8Very high97.4Very high87 Ų8762.4 Ų62.447%0.46532%0.323SS..  trans-84.498.4166.4-174.6-24.1000109.6I296 A297 I298D294-I296 VanDerWaalsContact C-N 3.27Å; D294-I296 PolarHBondContact O-N 3.48Å; D294-I296 PolarHBondContact OD1-N 3Å; D294-A297 HydrophobicContact CB-CB 3.79Å; D294-A297 VanDerWaalsContact CG-CB 3.43Å; D294-A297 PolarHBondContact O-N 2.79Å; D294-A297 PolarHBondContact OD1-N 3.46Å; D294-I298 VanDerWaalsContact O-CG1 3.3Å; D294-I298 WeakPolarHBondContact O-CG1 3.47Å; D294-I298 PolarHBondContact O-N 3.35Å
295W96.9Very high97.4Very high19 Ų1963 Ų637%0.07233%0.328CS..Hα-helixtrans-59.6-35.1-178.5-63.9100000113.5M4 A141 V144 L145 K285 F290 T293 Y299M4-W295 HydrophobicContact CE-CB 4.4Å; A141-W295 HydrophobicContact CB-CE3 4.39Å; A141-W295 HydrophobicContact CB-CH2 4.19Å; A141-W295 HydrophobicContact CB-CZ3 3.79Å; A141-W295 WeakPolarHBondContact O-CZ3 3.48Å; V144-W295 HydrophobicContact CB-CH2 4.08Å; V144-W295 HydrophobicContact CB-CZ3 3.83Å; V144-W295 HydrophobicContact CG1-CH2 3.82Å; V144-W295 HydrophobicContact CG1-CZ3 3.67Å; V144-W295 HydrophobicContact CG2-CH2 4.39Å; L145-W295 HydrophobicContact CD1-CE3 4.24Å; L145-W295 HydrophobicContact CD2-CE3 3.94Å; L145-W295 HydrophobicContact CG-CE3 3.91Å; L145-W295 HydrophobicContact CG-CZ3 4.29Å; K285-W295 VanDerWaalsContact CA-CZ2 3.43Å; K285-W295 HydrophobicContact CB-CD2 4.44Å; K285-W295 HydrophobicContact CB-CH2 4.42Å; K285-W295 HydrophobicContact CB-CZ2 3.75Å; K285-W295 HydrophobicContact CD-CD2 4.11Å; K285-W295 HydrophobicContact CD-CE3 4.35Å; K285-W295 HydrophobicContact CD-CG 4.5Å; K285-W295 HydrophobicContact CG-CD2 4Å; K285-W295 HydrophobicContact CG-CE3 4.2Å; K285-W295 HydrophobicContact CG-CH2 3.86Å; K285-W295 HydrophobicContact CG-CZ2 3.65Å; K285-W295 HydrophobicContact CG-CZ3 4.11Å; K285-W295 PolarHBondContact O-NE1 2.7Å; F290-W295 HydrophobicContact CB-CH2 4.48Å; F290-W295 HydrophobicContact CB-CZ2 3.74Å; F290-W295 AromaticContact CD1-CH2 3.62Å; F290-W295 HydrophobicContact CD1-CH2 3.62Å; F290-W295 AromaticContact CD1-CZ2 3.71Å; F290-W295 HydrophobicContact CD1-CZ2 3.71Å; F290-W295 HydrophobicContact CD2-CH2 4.36Å; F290-W295 HydrophobicContact CD2-CZ2 4.28Å; F290-W295 AromaticContact CE1-CH2 3.81Å; F290-W295 HydrophobicContact CE1-CH2 3.81Å; F290-W295 HydrophobicContact CE1-CZ2 4.36Å; F290-W295 AromaticContact CG-CH2 3.92Å; F290-W295 HydrophobicContact CG-CH2 3.92Å; F290-W295 AromaticContact CG-CZ2 3.66Å; F290-W295 HydrophobicContact CG-CZ2 3.66Å; F290-W295 HydrophobicContact CZ-CH2 4.24Å; T293-W295 HydrophobicContact CG2-CD2 4.16Å; T293-W295 HydrophobicContact CG2-CE3 4.37Å; T293-W295 HydrophobicContact CG2-CH2 4.43Å; T293-W295 HydrophobicContact CG2-CZ2 4.19Å; T293-W295 PolarHBondContact O-N 2.85Å; W295-Y299 WeakPolarHBondContact O-CB 3.43Å; W295-Y299 PolarHBondContact O-N 3.36Å
296I95.3Very high97.3Very high60 Ų6065.2 Ų65.231%0.30835%0.345SS..Hα-helixtrans-74-44.1179.8-60.3177.6000109.3M4 D294 I298 Y299 Q300M4-I296 HydrophobicContact CG-CD1 3.91Å; M4-I296 HydrophobicContact CG-CG1 4.29Å; M4-I296 HydrophobicContact SD-CD1 3.91Å; M4-I296 HydrophobicContact SD-CG1 4.05Å; D294-I296 VanDerWaalsContact C-N 3.27Å; D294-I296 PolarHBondContact O-N 3.48Å; D294-I296 PolarHBondContact OD1-N 3Å; I296-I298 VanDerWaalsContact C-N 3.33Å; I296-I298 PolarHBondContact O-N 2.92Å; I296-Y299 PolarHBondContact O-N 3.36Å; I296-Q300 HydrophobicContact CG2-CG 4.25Å; I296-Q300 WeakPolarHBondContact O-CB 3.3Å; I296-Q300 VanDerWaalsContact O-CG 3.32Å; I296-Q300 WeakPolarHBondContact O-CG 3.47Å; I296-Q300 PolarHBondContact O-N 3.22Å
297A96.4Very high97.1Very high12 Ų1261.9 Ų61.910%0.09933%0.325CS..Hα-helixtrans-64.1-38.517800000111.9D294 Q300 K301 K302 I303D294-A297 HydrophobicContact CB-CB 3.79Å; D294-A297 VanDerWaalsContact CG-CB 3.43Å; D294-A297 PolarHBondContact O-N 2.79Å; D294-A297 PolarHBondContact OD1-N 3.46Å; A297-Q300 PolarHBondContact O-N 3.13Å; A297-K301 PolarHBondContact O-N 2.91Å; A297-K302 HydrophobicContact CB-CB 4.21Å; A297-K302 PolarHBondContact O-N 2.83Å; A297-I303 HydrophobicContact CB-CD1 3.56Å; A297-I303 HydrophobicContact CB-CG1 3.81Å
298I97.6Very high96.9Very high6 Ų666.5 Ų66.53%0.03135%0.349CS..Hα-helixtrans-59.6-53.4171.3-67.9-70.8000110F95 F138 A141 Q142 L145 T293 D294 I296 Q300 K301 I303F95-I298 HydrophobicContact CE2-CG2 4.32Å; F95-I298 HydrophobicContact CZ-CG2 4.01Å; F95-I298 WeakPolarHBondContact CZ-O 3.33Å; F138-I298 HydrophobicContact CD2-CD1 3.57Å; F138-I298 HydrophobicContact CE2-CD1 3.78Å; A141-I298 HydrophobicContact CB-CG1 4.35Å; A141-I298 HydrophobicContact CB-CG2 4.26Å; Q142-I298 HydrophobicContact CG-CG2 3.74Å; L145-I298 HydrophobicContact CD1-CB 4.26Å; L145-I298 HydrophobicContact CD1-CG2 3.73Å; T293-I298 HydrophobicContact CG2-CG1 4.2Å; D294-I298 VanDerWaalsContact O-CG1 3.3Å; D294-I298 WeakPolarHBondContact O-CG1 3.47Å; D294-I298 PolarHBondContact O-N 3.35Å; I296-I298 VanDerWaalsContact C-N 3.33Å; I296-I298 PolarHBondContact O-N 2.92Å; I298-Q300 VanDerWaalsContact C-N 3.28Å; I298-Q300 PolarHBondContact O-N 2.78Å; I298-K301 WeakPolarHBondContact O-CA 3.37Å; I298-K301 PolarHBondContact O-N 3.43Å; I298-I303 HydrophobicContact CD1-CB 3.87Å; I298-I303 HydrophobicContact CD1-CG1 3.65Å; I298-I303 HydrophobicContact CD1-CG2 4.18Å; I298-I303 HydrophobicContact CG1-CG1 4.02Å
299Y96.3Very high96.7Very high74 Ų7459.1 Ų59.129%0.2932%0.318SS..Hα-helixtrans-54.6-42.9179174.7-101.2000112.7F11 F93 P94 W295 I296 K301F11-Y299 HydrophobicContact CE1-CE2 4.38Å; F11-Y299 AromaticContact CE2-CZ 3.92Å; F11-Y299 WeakPolarHBondContact CE2-OH 3.36Å; F11-Y299 HydrophobicContact CZ-CE2 4.01Å; F11-Y299 AromaticContact CZ-CZ 3.87Å; F11-Y299 VanDerWaalsContact CZ-OH 3.23Å; F11-Y299 WeakPolarHBondContact CZ-OH 3.21Å; F93-Y299 HydrophobicContact CD2-CE2 4.26Å; F93-Y299 HydrophobicContact CE2-CD2 4.04Å; F93-Y299 AromaticContact CE2-CE2 3.56Å; F93-Y299 HydrophobicContact CE2-CE2 3.56Å; F93-Y299 AromaticContact CZ-CD2 3.93Å; F93-Y299 HydrophobicContact CZ-CD2 3.93Å; F93-Y299 AromaticContact CZ-CE2 3.92Å; F93-Y299 HydrophobicContact CZ-CE2 3.92Å; P94-Y299 HydrophobicContact CG-CD2 4.08Å; P94-Y299 HydrophobicContact CG-CE2 3.57Å; W295-Y299 WeakPolarHBondContact O-CB 3.43Å; W295-Y299 PolarHBondContact O-N 3.36Å; I296-Y299 PolarHBondContact O-N 3.36Å; Y299-K301 PolarHBondContact O-N 3.3Å
300Q96.1Very high96.4Very high97 Ų9767.6 Ų67.645%0.45336%0.355SS..THydrogen-bonded Turntrans-794.2179.2-66.7-179.5-11.700113.6I296 A297 I298 K302I296-Q300 HydrophobicContact CG2-CG 4.25Å; I296-Q300 WeakPolarHBondContact O-CB 3.3Å; I296-Q300 VanDerWaalsContact O-CG 3.32Å; I296-Q300 WeakPolarHBondContact O-CG 3.47Å; I296-Q300 PolarHBondContact O-N 3.22Å; A297-Q300 PolarHBondContact O-N 3.13Å; I298-Q300 VanDerWaalsContact C-N 3.28Å; I298-Q300 PolarHBondContact O-N 2.78Å; Q300-K302 VanDerWaalsContact C-N 3.26Å; Q300-K302 HydrophobicContact CB-CD 3.99Å; Q300-K302 HydrophobicContact CB-CG 3.93Å; Q300-K302 PolarHBondContact O-N 3.41Å
301K97.3Very high96Very high67 Ų6769.6 Ų69.629%0.29137%0.369SS..THydrogen-bonded Turntrans52.539.1-174.6-59.7-167.7172.8-170.60114F95 D168 Y172 A297 I298 Y299F95-K301 HydrophobicContact CE1-CG 4.16Å; D168-K301 IonicContact OD2-NZ 3.88Å; D168-K301 PolarHBondContact OD2-NZ 3.25Å; Y172-K301 HydrophobicContact CD1-CB 4.38Å; Y172-K301 HydrophobicContact CD1-CD 4.18Å; Y172-K301 HydrophobicContact CD1-CG 3.8Å; Y172-K301 HydrophobicContact CD2-CB 4.33Å; Y172-K301 HydrophobicContact CD2-CD 4.24Å; Y172-K301 HydrophobicContact CD2-CG 4.33Å; Y172-K301 HydrophobicContact CE1-CB 4Å; Y172-K301 HydrophobicContact CE1-CG 3.82Å; Y172-K301 HydrophobicContact CE2-CB 3.98Å; Y172-K301 HydrophobicContact CE2-CG 4.37Å; Y172-K301 HydrophobicContact CG-CD 3.97Å; Y172-K301 HydrophobicContact CG-CG 4.05Å; Y172-K301 VanDerWaalsContact CZ-CA 3.46Å; Y172-K301 VanDerWaalsContact OH-C 3.25Å; Y172-K301 WeakPolarHBondContact OH-CA 3.2Å; A297-K301 PolarHBondContact O-N 2.91Å; I298-K301 WeakPolarHBondContact O-CA 3.37Å; I298-K301 PolarHBondContact O-N 3.43Å; Y299-K301 PolarHBondContact O-N 3.3Å
302K97.5Very high95.7Very high145 Ų14576.1 Ų76.163%0.6337%0.373SS*.  trans-96.5-9.7-178.4-71.2-178.8175.5172.10114.4A297 Q300A297-K302 HydrophobicContact CB-CB 4.21Å; A297-K302 PolarHBondContact O-N 2.83Å; Q300-K302 VanDerWaalsContact C-N 3.26Å; Q300-K302 HydrophobicContact CB-CD 3.99Å; Q300-K302 HydrophobicContact CB-CG 3.93Å; Q300-K302 PolarHBondContact O-N 3.41Å
303I97.5Very high95.5Very high65 Ų6573.1 Ų73.133%0.33336%0.356SS..SBendtrans-82.9136.1175.2-58.8-57.3000108.9F138 Y172 A297 I298 A305F138-I303 HydrophobicContact CD2-CG2 4.01Å; F138-I303 HydrophobicContact CE2-CB 4.18Å; F138-I303 HydrophobicContact CE2-CG2 4.02Å; Y172-I303 WeakPolarHBondContact OH-CA 3.28Å; Y172-I303 PolarHBondContact OH-N 2.7Å; Y172-I303 PolarHBondContact OH-O 2.73Å; A297-I303 HydrophobicContact CB-CD1 3.56Å; A297-I303 HydrophobicContact CB-CG1 3.81Å; I298-I303 HydrophobicContact CD1-CB 3.87Å; I298-I303 HydrophobicContact CD1-CG1 3.65Å; I298-I303 HydrophobicContact CD1-CG2 4.18Å; I298-I303 HydrophobicContact CG1-CG1 4.02Å; I303-A305 PolarHBondContact O-N 3.29Å
304E97.4Very high95.1Very high180 Ų18077 Ų7784%0.84138%0.382SS*.PPolyproline II helixtrans-63.6125.8173.2-173.4177.4-179.900109.9
305A97.7Very high95Very high13 Ų1374 Ų7411%0.10737%0.371CS..PPolyproline II helixtrans-72136.9-179.100000110.6F138 T170 I303 F307 L308F138-A305 HydrophobicContact CE1-CB 4.09Å; F138-A305 HydrophobicContact CZ-CB 3.9Å; T170-A305 VanDerWaalsContact O-CB 3.24Å; T170-A305 WeakPolarHBondContact O-CB 3.43Å; I303-A305 PolarHBondContact O-N 3.29Å; A305-F307 PolarHBondContact O-N 3.34Å; A305-F307 VanDerWaalsContact O-N 3.16Å; A305-L308 HydrophobicContact CB-CD2 4.23Å
306P96.1Very high94.9Very high66 Ų6673.9 Ų73.943%0.42937%0.372SS..SBendtrans-67.7-14.8-179.728.6-36.6000113.7H135 F138H135-P306 HydrophobicContact CB-CB 4.11Å; H135-P306 HydrophobicContact CB-CG 4.24Å; H135-P306 WeakPolarHBondContact CD2-CG 3.11Å; F138-P306 HydrophobicContact CB-CG 4.27Å; F138-P306 HydrophobicContact CD1-CG 3.73Å; F138-P306 HydrophobicContact CE1-CG 4.34Å; F138-P306 HydrophobicContact CG-CG 4.12Å
307F93.9Very high94.8Very high42 Ų4271.6 Ų71.618%0.18436%0.362CS..  trans-148130.6179.5168.2-104.1000109.6H124 I167 G171 A305 P309H124-F307 AromaticContact CD2-CE1 3.91Å; H124-F307 AromaticContact CE1-CE1 3.54Å; H124-F307 AromaticContact CE1-CZ 3.43Å; H124-F307 VanDerWaalsContact CE1-CZ 3.43Å; H124-F307 WeakPolarHBondContact CE1-CZ 3.16Å; H124-F307 AromaticContact CG-CE1 3.84Å; H124-F307 AromaticContact ND1-CE1 3.61Å; H124-F307 AromaticContact ND1-CZ 3.44Å; H124-F307 WeakPolarHBondContact ND1-CZ 3.32Å; H124-F307 AromaticContact NE2-CE1 3.68Å; I167-F307 HydrophobicContact CD1-CD1 4.03Å; I167-F307 HydrophobicContact CD1-CE1 4.17Å; I167-F307 HydrophobicContact CG2-CD1 4.47Å; G171-F307 VanDerWaalsContact CA-O 3.22Å; G171-F307 WeakPolarHBondContact CA-O 3.29Å; A305-F307 PolarHBondContact O-N 3.34Å; A305-F307 VanDerWaalsContact O-N 3.16Å; F307-P309 HydrophobicContact CE1-CB 3.96Å; F307-P309 HydrophobicContact CZ-CB 4.12Å
308L95Very high94.7Very high109 Ų10974 Ų7457%0.57138%0.378SS*.  trans-112.6120.7171.4-65.5176000109T170 A305T170-L308 VanDerWaalsContact O-CD2 3.27Å; T170-L308 WeakPolarHBondContact O-CD2 3.38Å; A305-L308 HydrophobicContact CB-CD2 4.23Å
309P93.1Very high94.5Very high10 Ų1075.2 Ų75.27%0.06539%0.385CS..  trans-67.3147.2175.128.4-32.6000110.4I167 D168 F307 C311I167-P309 HydrophobicContact CG2-CG 4.11Å; D168-P309 WeakPolarHBondContact O-CD 3.16Å; D168-P309 VanDerWaalsContact O-CG 3.24Å; D168-P309 WeakPolarHBondContact O-CG 3.44Å; F307-P309 HydrophobicContact CE1-CB 3.96Å; F307-P309 HydrophobicContact CZ-CB 4.12Å; P309-C311 PolarHBondContact O-N 3.3Å
310K92.7Very high94.2Very high182 Ų18273 Ų7379%0.79138%0.377SS*.  trans-75.8117.5173.4-67.2-176.4-179.4-179.30108.3N319K310-N319 PolarHBondContact O-ND2 2.85Å
311C91.3Very high93.8Very high43 Ų4373.6 Ų73.629%0.29138%0.383SS..  trans-130.4119.2175.1-57.40000109.1S117 P309 G313S117-C311 PolarHBondContact OG-SG 3.44Å; S117-C311 VanDerWaalsContact OG-SG 3.33Å; P309-C311 PolarHBondContact O-N 3.3Å; C311-G313 VanDerWaalsContact C-N 3.33Å
312R90.9Very high93.5Very high205 Ų20577.2 Ų77.277%0.77441%0.405SS*.SBendtrans-79.6-14-178-65.6174.6-75.6-179.11.6113.6D316R312-D316 HydrophobicContact CB-CB 4.34Å; R312-D316 VanDerWaalsContact CB-OD2 3.23Å; R312-D316 WeakPolarHBondContact CB-OD2 3.29Å; R312-D316 WeakPolarHBondContact CG-OD2 3.33Å; R312-D316 IonicContact CZ-OD1 3.53Å; R312-D316 PolarHBondContact N-OD2 3.05Å; R312-D316 IonicContact NE-OD1 2.92Å; R312-D316 IonicContact NE-OD2 2.68Å; R312-D316 PolarHBondContact NE-OD2 3.45Å; R312-D316 VanDerWaalsContact NE-OD2 3.14Å; R312-D316 IonicContact NH2-OD1 3.51Å; R312-D316 PolarHBondContact NH2-OD1 2.89Å; R312-D316 VanDerWaalsContact NH2-OD1 3.11Å
313G91.6Very high93.3Very high30 Ų3073.9 Ų73.931%0.30939%0.389SS..SBendtrans173.1-179.5177.600000113C311 G315 D316C311-G313 VanDerWaalsContact C-N 3.33Å; G313-G315 PolarHBondContact O-N 3.48Å; G313-D316 WeakPolarHBondContact O-CB 3.36Å; G313-D316 PolarHBondContact O-N 3.29Å; G313-D316 VanDerWaalsContact O-N 3.08Å
314P90.7Very high93.1Very high105 Ų10578.8 Ų78.868%0.68241%0.411SS*.THydrogen-bonded Turntrans-62-25.1-173.4-2635.4000115.6Y61 F115Y61-P314 HydrophobicContact CD2-CB 3.79Å; Y61-P314 HydrophobicContact CE2-CB 4.08Å; F115-P314 WeakPolarHBondContact CD1-O 3.45Å
315G93.9Very high92.9Very high23 Ų2374.5 Ų74.524%0.23739%0.391CS..THydrogen-bonded Turntrans-106.21417700000113.9L52 G313 A317L52-G315 WeakPolarHBondContact CD2-O 3.48Å; G313-G315 PolarHBondContact O-N 3.48Å; G315-A317 PolarHBondContact O-N 3.37Å
316D94.8Very high92.4Very high17 Ų1780 Ų809%0.09141%0.414CS..  trans-73.3114.5-179.4-16913.5000110.7F115 R312 G313 S318F115-D316 WeakPolarHBondContact CZ-O 3.13Å; R312-D316 HydrophobicContact CB-CB 4.34Å; R312-D316 VanDerWaalsContact CB-OD2 3.23Å; R312-D316 WeakPolarHBondContact CB-OD2 3.29Å; R312-D316 WeakPolarHBondContact CG-OD2 3.33Å; R312-D316 IonicContact CZ-OD1 3.53Å; R312-D316 PolarHBondContact N-OD2 3.05Å; R312-D316 IonicContact NE-OD1 2.92Å; R312-D316 IonicContact NE-OD2 2.68Å; R312-D316 PolarHBondContact NE-OD2 3.45Å; R312-D316 VanDerWaalsContact NE-OD2 3.14Å; R312-D316 IonicContact NH2-OD1 3.51Å; R312-D316 PolarHBondContact NH2-OD1 2.89Å; R312-D316 VanDerWaalsContact NH2-OD1 3.11Å; G313-D316 WeakPolarHBondContact O-CB 3.36Å; G313-D316 PolarHBondContact O-N 3.29Å; G313-D316 VanDerWaalsContact O-N 3.08Å; D316-S318 VanDerWaalsContact OD1-CB 3.32Å; D316-S318 WeakPolarHBondContact OD1-CB 3.29Å; D316-S318 PolarHBondContact OD1-N 3.24Å; D316-S318 VanDerWaalsContact OD1-N 3.13Å; D316-S318 PolarHBondContact OD1-OG 3.3Å; D316-S318 PolarHBondContact OD2-OG 3.47Å
317A93.8Very high92.1Very high12 Ų1281.9 Ų81.910%0.09943%0.426CS..  trans-104.821.5177.200000112.4L42 L52 F115 G315 N319 F320L42-A317 HydrophobicContact CD2-CB 3.75Å; L52-A317 HydrophobicContact CD2-CB 4.21Å; F115-A317 HydrophobicContact CZ-CB 4.37Å; G315-A317 PolarHBondContact O-N 3.37Å; A317-N319 PolarHBondContact O-N 3.29Å; A317-F320 HydrophobicContact CB-CD2 4.33Å; A317-F320 PolarHBondContact O-N 2.98Å; A317-F320 VanDerWaalsContact O-N 3.08Å
318S93.5Very high92.1Very high62 Ų6282.3 Ų82.343%0.43443%0.43SS..THydrogen-bonded Turntrans-68.2-13.5-178.863.50000115.3D316 F320D316-S318 VanDerWaalsContact OD1-CB 3.32Å; D316-S318 WeakPolarHBondContact OD1-CB 3.29Å; D316-S318 PolarHBondContact OD1-N 3.24Å; D316-S318 VanDerWaalsContact OD1-N 3.13Å; D316-S318 PolarHBondContact OD1-OG 3.3Å; D316-S318 PolarHBondContact OD2-OG 3.47Å; S318-F320 VanDerWaalsContact C-N 3.26Å
319N92.8Very high91.9Very high33 Ų3387 Ų8718%0.17644%0.44CS..THydrogen-bonded Turntrans-88.86.4173.4-59.5-59.3000112.6S117 G118 K310 A317S117-N319 PolarHBondContact O-ND2 3.16Å; G118-N319 VanDerWaalsContact O-CB 3.27Å; G118-N319 WeakPolarHBondContact O-CB 3.44Å; K310-N319 PolarHBondContact O-ND2 2.85Å; A317-N319 PolarHBondContact O-N 3.29Å
320F89.7Confident92Very high28 Ų2890.5 Ų90.512%0.12346%0.458CS..SBendtrans-116.6146.7176-64.7-94.1000110.2L42 F115 I116 A317 S318L42-F320 HydrophobicContact CB-CD1 4.09Å; L42-F320 HydrophobicContact CB-CE1 4.38Å; L42-F320 HydrophobicContact CB-CG 4.49Å; L42-F320 HydrophobicContact CD2-CB 4.21Å; L42-F320 HydrophobicContact CD2-CD1 4.2Å; L42-F320 HydrophobicContact CD2-CD2 3.86Å; L42-F320 HydrophobicContact CD2-CE2 4.26Å; L42-F320 HydrophobicContact CD2-CG 3.82Å; F115-F320 HydrophobicContact CE2-CD2 4.32Å; F115-F320 AromaticContact CE2-CE2 3.6Å; F115-F320 HydrophobicContact CE2-CE2 3.6Å; F115-F320 HydrophobicContact CE2-CZ 4.02Å; F115-F320 AromaticContact CZ-CE2 3.97Å; F115-F320 HydrophobicContact CZ-CE2 3.97Å; I116-F320 WeakPolarHBondContact O-CE2 3.47Å; I116-F320 VanDerWaalsContact O-CZ 3.25Å; I116-F320 WeakPolarHBondContact O-CZ 3.4Å; A317-F320 HydrophobicContact CB-CD2 4.33Å; A317-F320 PolarHBondContact O-N 2.98Å; A317-F320 VanDerWaalsContact O-N 3.08Å; S318-F320 VanDerWaalsContact C-N 3.26Å
321D88.7Confident92.2Very high109 Ų10983.3 Ų83.358%0.58343%0.43SS*.  trans-64.5163.5176.1-67-23.3000111.6K40 Y323K40-D321 WeakPolarHBondContact CE-O 3.3Å; K40-D321 PolarHBondContact NZ-O 2.71Å; D321-Y323 HydrophobicContact CB-CE2 3.92Å
322D91.6Very high92.4Very high142 Ų14285.1 Ų85.176%0.75946%0.456SS*.  trans-89.8132172.1-68.9-50.2000109.7K40K40-D322 VanDerWaalsContact CE-OD1 3.22Å; K40-D322 WeakPolarHBondContact CE-OD1 3.44Å; K40-D322 IonicContact NZ-OD1 3.68Å; K40-D322 PolarHBondContact NZ-OD1 3.34Å
323Y93.4Very high92.7Very high76 Ų7679.3 Ų79.330%0.29844%0.444SS..  trans-121152.4178.3-67.3-93.5000109.9T41 L42 T44 D321 E325T41-Y323 HydrophobicContact CG2-CD2 4.24Å; T41-Y323 HydrophobicContact CG2-CG 4.03Å; L42-Y323 WeakPolarHBondContact O-CE2 3.28Å; T44-Y323 HydrophobicContact CG2-CD1 3.86Å; T44-Y323 HydrophobicContact CG2-CE1 4.37Å; T44-Y323 HydrophobicContact CG2-CG 4.43Å; D321-Y323 HydrophobicContact CB-CE2 3.92Å; Y323-E325 PolarHBondContact O-N 3.45Å
324E92.7Very high93Very high168 Ų16883.2 Ų83.279%0.78545%0.454SS*.  trans-63.9133.5172.7-171.3175.5179.300110.4R49R49-E324 PolarHBondContact NH2-O 3.19Å
325E92.9Very high93.3Very high89 Ų8981 Ų8142%0.41643%0.434SS..  trans-86124.5178.9-65.2-59.5168.300111.4K40 T41 R49 Y323K40-E325 WeakPolarHBondContact CA-OE1 3.12Å; T41-E325 PolarHBondContact N-OE1 3.49Å; T41-E325 PolarHBondContact OG1-OE1 2.97Å; T41-E325 PolarHBondContact OG1-OE2 3.07Å; R49-E325 IonicContact CZ-OE2 3.93Å; R49-E325 IonicContact NH1-OE2 2.69Å; R49-E325 PolarHBondContact NH1-OE2 3.24Å; R49-E325 IonicContact NH2-OE2 3.29Å; Y323-E325 PolarHBondContact O-N 3.45Å
326E88Confident93.5Very high129 Ų12981.2 Ų81.260%0.60343%0.431SS*.  trans-108136.6175.9-67.4-173.9172.500110.4L328E326-L328 PolarHBondContact O-N 2.83Å
327P89.8Confident93.6Very high105 Ų10582.2 Ų82.268%0.68244%0.442SS*.  trans-65.8127.9175.525.6-31.7000110.8R329P327-R329 PolarHBondContact O-N 2.74Å
328L92.2Very high93.7Very high51 Ų5190.8 Ų90.827%0.26748%0.477SS..  trans-71.7110.8176.1-175.562.9000110.4L33 I66 Y110 E326L33-L328 HydrophobicContact CD1-CD2 4.23Å; L33-L328 HydrophobicContact CD2-CD2 3.77Å; I66-L328 HydrophobicContact CD1-CD2 4.28Å; I66-L328 HydrophobicContact CG2-CD1 3.76Å; Y110-L328 HydrophobicContact CE1-CD2 4.13Å; E326-L328 PolarHBondContact O-N 2.83Å
329R91.5Very high93.9Very high208 Ų20891.8 Ų91.879%0.78548%0.475SS*.  trans-92.7130178.5-62.8-174.4-176.8-173.11.3110.8N108 P327N108-R329 PolarHBondContact ND2-O 3.3Å; P327-R329 PolarHBondContact O-N 2.74Å
330I95.9Very high94.1Very high83 Ų8390.3 Ų90.343%0.42647%0.467SS..  trans-119.4121.7175.2-56170.5000107.8L33 D105 N106L33-I330 HydrophobicContact CD2-CD1 3.55Å; D105-I330 HydrophobicContact CB-CG2 4.34Å; D105-I330 VanDerWaalsContact OD2-CD1 3.28Å; D105-I330 WeakPolarHBondContact OD2-CD1 3.32Å; D105-I330 WeakPolarHBondContact OD2-CG1 3.3Å; N106-I330 HydrophobicContact CB-CG2 4.19Å
331S95.9Very high94.5Very high31 Ų3191.8 Ų91.822%0.21748%0.484CS..  trans-67.6145179.1168.20000111N106 S107 T333 K335N106-S331 WeakPolarHBondContact CB-O 3.15Å; N106-S331 PolarHBondContact ND2-O 2.9Å; S107-S331 VanDerWaalsContact OG-CB 3.3Å; S107-S331 WeakPolarHBondContact OG-CB 3.43Å; S107-S331 PolarHBondContact OG-N 3.13Å; S331-T333 WeakPolarHBondContact CB-O 3.26Å; S331-T333 PolarHBondContact O-N 2.7Å; S331-T333 PolarHBondContact OG-N 2.93Å; S331-T333 PolarHBondContact OG-O 3.25Å; S331-T333 PolarHBondContact OG-OG1 3.48Å; S331-T333 VanDerWaalsContact OG-OG1 3.08Å; S331-K335 WeakPolarHBondContact OG-CE 3.31Å
332G96.4Very high94.7Very high81 Ų8193 Ų9384%0.83549%0.487SS*.SBendtrans-69.6-9.5168.900000114.1
333T96.7Very high95Very high83 Ų8386.3 Ų86.351%0.50945%0.451SS..SBendtrans-122.8139.4177.152.70000111.1S331 K335S331-T333 WeakPolarHBondContact CB-O 3.26Å; S331-T333 PolarHBondContact O-N 2.7Å; S331-T333 PolarHBondContact OG-N 2.93Å; S331-T333 PolarHBondContact OG-O 3.25Å; S331-T333 PolarHBondContact OG-OG1 3.48Å; S331-T333 VanDerWaalsContact OG-OG1 3.08Å; T333-K335 PolarHBondContact O-N 2.8Å; T333-K335 PolarHBondContact OG1-NZ 2.93Å
334E97.7Very high95Very high112 Ų11286.8 Ų86.852%0.52346%0.458SS..  trans-65.1130.3179.7-168.1174.9-160.200111.8A337E334-A337 VanDerWaalsContact CD-CB 3.46Å; E334-A337 HydrophobicContact CG-CB 3.92Å
335K97.8Very high95.2Very high59 Ų5982.5 Ų82.526%0.25744%0.441SS..  trans-105.9142176.5-53.9-51.7-172.8-163.90110.1K69 Q70 N106 S331 T333 A337K69-K335 WeakPolarHBondContact CD-O 3.42Å; K69-K335 PolarHBondContact NZ-O 3.47Å; Q70-K335 HydrophobicContact CG-CB 4.15Å; Q70-K335 HydrophobicContact CG-CG 4.33Å; N106-K335 VanDerWaalsContact O-CB 3.29Å; N106-K335 WeakPolarHBondContact O-CB 3.42Å; N106-K335 WeakPolarHBondContact O-CG 3.46Å; N106-K335 PolarHBondContact O-N 3.34Å; S331-K335 WeakPolarHBondContact OG-CE 3.31Å; T333-K335 PolarHBondContact O-N 2.8Å; T333-K335 PolarHBondContact OG1-NZ 2.93Å; K335-A337 PolarHBondContact O-N 2.98Å; K335-A337 VanDerWaalsContact O-N 3.13Å
336C97.1Very high95.3Very high27 Ų2782.2 Ų82.218%0.18244%0.442CS..SBendtrans51.737.1170.6-50.40000114.1K69 V73 K338 E339 F340K69-C336 HydrophobicContact CB-CB 4.07Å; K69-C336 HydrophobicContact CD-CB 4.5Å; V73-C336 HydrophobicContact CG2-CB 4.05Å; C336-K338 VanDerWaalsContact C-N 3.3Å; C336-K338 PolarHBondContact O-N 3.08Å; C336-E339 WeakPolarHBondContact CA-OE2 3.49Å; C336-E339 HydrophobicContact CB-CB 4.36Å; C336-E339 PolarHBondContact O-N 3.23Å; C336-F340 HydrophobicContact CB-CD2 3.68Å; C336-F340 HydrophobicContact CB-CE2 3.66Å; C336-F340 WeakPolarHBondContact O-CD2 2.94Å; C336-F340 PolarHBondContact O-N 2.93Å
337A96.6Very high95.7Very high39 Ų3979.4 Ų79.432%0.32243%0.433SS..THydrogen-bonded Turntrans-60.1-40-174.400000112.4E334 K335 A341E334-A337 VanDerWaalsContact CD-CB 3.46Å; E334-A337 HydrophobicContact CG-CB 3.92Å; K335-A337 PolarHBondContact O-N 2.98Å; K335-A337 VanDerWaalsContact O-N 3.13Å; A337-A341 WeakPolarHBondContact O-CA 3.44Å; A337-A341 PolarHBondContact O-N 3.38Å; A337-A341 VanDerWaalsContact O-N 3.09Å
338K97.1Very high96.1Very high192 Ų19277.8 Ų77.884%0.83542%0.417SS*.THydrogen-bonded Turntrans-69.2-41.8-178.6-66.5-173.2178.7-178.40111.5C336 F340C336-K338 VanDerWaalsContact C-N 3.3Å; C336-K338 PolarHBondContact O-N 3.08Å; K338-F340 VanDerWaalsContact C-N 3.29Å; K338-F340 PolarHBondContact O-N 3.09Å
339E97.8Very high96.4Very high83 Ų8379.6 Ų79.639%0.38843%0.427SS..THydrogen-bonded Turntrans-66.6-32-177.9-64.188157.900112.3V73 V78 C336V73-E339 HydrophobicContact CG2-CB 4.26Å; V73-E339 HydrophobicContact CG2-CG 4.13Å; V78-E339 HydrophobicContact CG1-CB 4.16Å; V78-E339 WeakPolarHBondContact CG1-O 3.49Å; V78-E339 HydrophobicContact CG2-CB 4.4Å; C336-E339 WeakPolarHBondContact CA-OE2 3.49Å; C336-E339 HydrophobicContact CB-CB 4.36Å; C336-E339 PolarHBondContact O-N 3.23Å
340F97.4Very high96.7Very high1 Ų170.4 Ų70.40%0.00440%0.402CS..THydrogen-bonded Turntrans-115.225.1-177.7-57.3-67.5000113.3K69 V72 V73 V78 L82 K104 L109 C336 K338 E342 F343K69-F340 HydrophobicContact CB-CD2 4.04Å; K69-F340 HydrophobicContact CB-CE2 3.71Å; K69-F340 HydrophobicContact CD-CD2 4Å; K69-F340 HydrophobicContact CG-CD2 3.77Å; K69-F340 HydrophobicContact CG-CE2 3.88Å; V72-F340 HydrophobicContact CB-CZ 3.86Å; V72-F340 HydrophobicContact CG1-CE1 3.82Å; V72-F340 HydrophobicContact CG1-CZ 3.51Å; V73-F340 HydrophobicContact CG2-CE2 3.8Å; V73-F340 HydrophobicContact CG2-CZ 3.99Å; V78-F340 HydrophobicContact CB-CE1 4.36Å; V78-F340 HydrophobicContact CG1-CD1 4.41Å; V78-F340 HydrophobicContact CG1-CE1 3.97Å; V78-F340 HydrophobicContact CG1-CZ 4.47Å; V78-F340 HydrophobicContact CG2-CE1 4.25Å; V78-F340 HydrophobicContact CG2-CZ 4Å; L82-F340 HydrophobicContact CD2-CD1 4.41Å; K104-F340 PolarHBondContact NZ-O 2.93Å; L109-F340 HydrophobicContact CD1-CD1 3.57Å; L109-F340 HydrophobicContact CD1-CD2 4.42Å; L109-F340 HydrophobicContact CD1-CE1 3.58Å; L109-F340 HydrophobicContact CD1-CE2 4.43Å; L109-F340 HydrophobicContact CD1-CG 4.01Å; L109-F340 HydrophobicContact CD1-CZ 4.04Å; L109-F340 HydrophobicContact CD2-CB 3.95Å; L109-F340 HydrophobicContact CD2-CD1 4.24Å; L109-F340 HydrophobicContact CD2-CD2 4.37Å; L109-F340 HydrophobicContact CD2-CG 3.93Å; C336-F340 HydrophobicContact CB-CD2 3.68Å; C336-F340 HydrophobicContact CB-CE2 3.66Å; C336-F340 WeakPolarHBondContact O-CD2 2.94Å; C336-F340 PolarHBondContact O-N 2.93Å; K338-F340 VanDerWaalsContact C-N 3.29Å; K338-F340 PolarHBondContact O-N 3.09Å; F340-E342 VanDerWaalsContact C-N 3.26Å; F340-E342 PolarHBondContact O-N 3.2Å; F340-F343 HydrophobicContact CB-CB 4.1Å; F340-F343 WeakPolarHBondContact O-CB 3.43Å; F340-F343 PolarHBondContact O-N 2.8Å; F340-F343 VanDerWaalsContact O-N 3.13Å
341A96.5Very high96.8Very high60 Ų6069.5 Ų69.550%0.49640%0.4SS..THydrogen-bonded Turntrans-55.9-42-18000000111.9K104 A337K104-A341 PolarHBondContact NZ-O 3.22Å; A337-A341 WeakPolarHBondContact O-CA 3.44Å; A337-A341 PolarHBondContact O-N 3.38Å; A337-A341 VanDerWaalsContact O-N 3.09Å
342E94.5Very high96.8Very high135 Ų13572.7 Ų72.763%0.63142%0.415SS*.THydrogen-bonded Turntrans-83.5-4.7-179-61.7-172.617700115Q28 F340Q28-E342 PolarHBondContact NE2-O 3.06Å; F340-E342 VanDerWaalsContact C-N 3.26Å; F340-E342 PolarHBondContact O-N 3.2Å
343F96.5Very high96.9Very high0 Ų071.9 Ų71.90%038%0.377CS..  trans-62.70179.4-171.5-81000111T81 L82 K85 F103 K104 L109 M111 F340T81-F343 HydrophobicContact CG2-CD2 4.43Å; T81-F343 HydrophobicContact CG2-CE2 4.06Å; L82-F343 HydrophobicContact CD2-CB 3.96Å; L82-F343 HydrophobicContact CD2-CD2 4.28Å; K85-F343 HydrophobicContact CB-CD2 4.29Å; K85-F343 HydrophobicContact CB-CE2 3.83Å; K85-F343 HydrophobicContact CB-CZ 4.31Å; K85-F343 WeakPolarHBondContact CD-OXT 3.5Å; K85-F343 WeakPolarHBondContact CE-OXT 3.33Å; K85-F343 HydrophobicContact CG-CD2 4.33Å; K85-F343 HydrophobicContact CG-CE1 4.44Å; K85-F343 HydrophobicContact CG-CE2 3.92Å; K85-F343 HydrophobicContact CG-CZ 3.97Å; K85-F343 PolarHBondContact NZ-OXT 3Å; F103-F343 WeakPolarHBondContact O-CE1 3.42Å; K104-F343 HydrophobicContact CB-CD1 4.34Å; K104-F343 HydrophobicContact CD-CB 4.16Å; K104-F343 HydrophobicContact CD-CD1 4.4Å; K104-F343 PolarHBondContact NZ-O 3.04Å; L109-F343 HydrophobicContact CB-CD1 4.37Å; L109-F343 HydrophobicContact CB-CD2 4.27Å; L109-F343 HydrophobicContact CB-CE1 3.91Å; L109-F343 HydrophobicContact CB-CE2 3.8Å; L109-F343 HydrophobicContact CB-CZ 3.61Å; L109-F343 HydrophobicContact CD1-CD2 3.84Å; L109-F343 HydrophobicContact CD1-CE2 3.91Å; L109-F343 HydrophobicContact CD1-CG 4.45Å; L109-F343 HydrophobicContact CD2-CB 4.19Å; L109-F343 HydrophobicContact CD2-CD1 3.9Å; L109-F343 HydrophobicContact CD2-CD2 3.99Å; L109-F343 HydrophobicContact CD2-CE1 4.3Å; L109-F343 HydrophobicContact CD2-CE2 4.38Å; L109-F343 HydrophobicContact CD2-CG 3.74Å; L109-F343 HydrophobicContact CG-CD2 4.25Å; L109-F343 HydrophobicContact CG-CE2 4.24Å; L109-F343 HydrophobicContact CG-CG 4.46Å; L109-F343 HydrophobicContact CG-CZ 4.45Å; M111-F343 HydrophobicContact CG-CZ 3.87Å; F340-F343 HydrophobicContact CB-CB 4.1Å; F340-F343 WeakPolarHBondContact O-CB 3.43Å; F340-F343 PolarHBondContact O-N 2.8Å; F340-F343 VanDerWaalsContact O-N 3.13Å

Retrieved 343 of 343 residues in 2177 ms (Link to these results)

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