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Cytochrome c oxidase assembly factor 7 homolog

Required for locomotion. Probably involved in the regulation of formation/maintenance of motor neurons at presynaptic terminals at the neuromuscular junction.

AlphaFold DB , UniProt , Accession Q9W5N0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Coa7, Length 266 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
1M63Low85Confident206 Ų206100.5 Ų100.5100%1.01553%0.526SS*.  0126.40-74.4-177.1-86.600107.2
2A83.5Confident85.5Confident104 Ų104101.2 Ų101.286%0.8652%0.522SS*.  trans-79.9126.2170.700000107.5
3Y82.6Confident85.9Confident73 Ų73100.2 Ų100.229%0.28651%0.513SS..  trans-76.1135.2172.6-60.4-81.5000109L5 D10 E13 Y14 K17Y3-L5 PolarHBondContact O-N 3.4Å; Y3-D10 HydrophobicContact CD1-CB 4.48Å; Y3-E13 HydrophobicContact CE1-CG 4.4Å; Y3-Y14 AromaticContact CD2-CD2 3.58Å; Y3-Y14 HydrophobicContact CD2-CD2 3.58Å; Y3-Y14 HydrophobicContact CD2-CE2 4.32Å; Y3-Y14 HydrophobicContact CD2-CG 4.25Å; Y3-Y14 AromaticContact CE2-CD2 3.6Å; Y3-Y14 HydrophobicContact CE2-CD2 3.6Å; Y3-Y14 HydrophobicContact CE2-CE2 4.34Å; Y3-Y14 HydrophobicContact CE2-CG 4.5Å; Y3-Y14 HydrophobicContact CG-CD2 4.2Å; Y3-Y14 HydrophobicContact CG-CG 4.44Å; Y3-K17 WeakPolarHBondContact OH-CD 3.33Å; Y3-K17 WeakPolarHBondContact OH-CE 3.49Å; Y3-K17 PolarHBondContact OH-NZ 3.16Å
4D85.7Confident86.4Confident81 Ų8199.7 Ų99.743%0.43350%0.503SS..  trans-83.6100.9166.6-176.1-0000109.4K6 K7 D10D4-K6 PolarHBondContact O-N 3.18Å; D4-K6 WeakPolarHBondContact OD1-CB 3.34Å; D4-K6 PolarHBondContact OD1-N 2.89Å; D4-K7 HydrophobicContact CB-CB 4.12Å; D4-K7 WeakPolarHBondContact O-CB 3.23Å; D4-K7 PolarHBondContact O-N 3.43Å; D4-D10 PolarHBondContact N-OD2 3.46Å; D4-D10 WeakPolarHBondContact O-CB 3.5Å
5L85.7Confident86.8Confident116 Ų11695.3 Ų95.361%0.60748%0.483SS*.THydrogen-bonded Turntrans-68.7-4-179.4-59.8-178.6000113.9Y3 V11 Y14Y3-L5 PolarHBondContact O-N 3.4Å; L5-V11 HydrophobicContact CB-CG2 4.47Å; L5-V11 HydrophobicContact CD2-CG2 4.32Å; L5-V11 WeakPolarHBondContact O-CG2 3.32Å; L5-Y14 HydrophobicContact CD2-CD1 4.34Å
6K88.6Confident87.2Confident198 Ų19894.8 Ų94.886%0.86148%0.478SS*.THydrogen-bonded Turntrans-86.5-14.7169.1-59-178.5179.4179.60112.3D4D4-K6 PolarHBondContact O-N 3.18Å; D4-K6 WeakPolarHBondContact OD1-CB 3.34Å; D4-K6 PolarHBondContact OD1-N 2.89Å
7K87.9Confident87.6Confident104 Ų10493.2 Ų93.245%0.45247%0.467SS..SBendtrans-100.5118.1-179.3-175.5173.3167.4-123.60110.2D4 S9 D10 V11D4-K7 HydrophobicContact CB-CB 4.12Å; D4-K7 WeakPolarHBondContact O-CB 3.23Å; D4-K7 PolarHBondContact O-N 3.43Å; K7-S9 VanDerWaalsContact C-N 3.29Å; K7-S9 WeakPolarHBondContact CE-OG 3.35Å; K7-S9 PolarHBondContact NZ-OG 2.96Å; K7-S9 VanDerWaalsContact NZ-OG 3.1Å; K7-S9 PolarHBondContact O-N 2.87Å; K7-D10 HydrophobicContact CB-CB 4.34Å; K7-D10 WeakPolarHBondContact CD-OD1 2.93Å; K7-D10 IonicContact NZ-OD1 2.92Å; K7-D10 PolarHBondContact NZ-OD1 2.9Å; K7-D10 PolarHBondContact O-N 2.89Å; K7-V11 PolarHBondContact O-N 2.78Å; K7-V11 VanDerWaalsContact O-N 3.08Å
8E88.9Confident87.9Confident85 Ų8589.7 Ų89.740%0.39745%0.45SS..Hα-helixtrans-55.6-39.4-174.2-168.5-167.8152.200113.7D10 V11 K12E8-D10 VanDerWaalsContact C-N 3.33Å; E8-D10 PolarHBondContact O-N 2.89Å; E8-V11 PolarHBondContact O-N 2.8Å; E8-K12 HydrophobicContact CG-CD 4.4Å; E8-K12 WeakPolarHBondContact O-CG 3.38Å; E8-K12 PolarHBondContact O-N 3.04Å; E8-K12 WeakPolarHBondContact OE1-CE 3.24Å; E8-K12 IonicContact OE1-NZ 2.71Å; E8-K12 PolarHBondContact OE1-NZ 3.11Å
9S90.2Very high88.3Confident60 Ų6085 Ų8542%0.4243%0.427SS..Hα-helixtrans-62.2-41178.261.50000112.5K7 K12 E13K7-S9 VanDerWaalsContact C-N 3.29Å; K7-S9 WeakPolarHBondContact CE-OG 3.35Å; K7-S9 PolarHBondContact NZ-OG 2.96Å; K7-S9 VanDerWaalsContact NZ-OG 3.1Å; K7-S9 PolarHBondContact O-N 2.87Å; S9-K12 PolarHBondContact O-N 2.88Å; S9-E13 PolarHBondContact O-N 2.82Å
10D88.8Confident88.7Confident28 Ų2885.1 Ų85.115%0.1543%0.431CS..Hα-helixtrans-72.9-35.5-177.7-66.125.3000109.7Y3 D4 K7 E8 Y14Y3-D10 HydrophobicContact CD1-CB 4.48Å; D4-D10 PolarHBondContact N-OD2 3.46Å; D4-D10 WeakPolarHBondContact O-CB 3.5Å; K7-D10 HydrophobicContact CB-CB 4.34Å; K7-D10 WeakPolarHBondContact CD-OD1 2.93Å; K7-D10 IonicContact NZ-OD1 2.92Å; K7-D10 PolarHBondContact NZ-OD1 2.9Å; K7-D10 PolarHBondContact O-N 2.89Å; E8-D10 VanDerWaalsContact C-N 3.33Å; E8-D10 PolarHBondContact O-N 2.89Å; D10-Y14 VanDerWaalsContact O-CB 3.24Å; D10-Y14 WeakPolarHBondContact O-CB 3.45Å; D10-Y14 PolarHBondContact O-N 3.19Å
11V90Very high89.1Confident51 Ų5186.8 Ų86.831%0.30944%0.438SS..Hα-helixtrans-62.5-48.1171.1175.80000111.1L5 K7 E8 E13 Y14 V15L5-V11 HydrophobicContact CB-CG2 4.47Å; L5-V11 HydrophobicContact CD2-CG2 4.32Å; L5-V11 WeakPolarHBondContact O-CG2 3.32Å; K7-V11 PolarHBondContact O-N 2.78Å; K7-V11 VanDerWaalsContact O-N 3.08Å; E8-V11 PolarHBondContact O-N 2.8Å; V11-E13 PolarHBondContact O-N 2.97Å; V11-Y14 PolarHBondContact O-N 2.85Å; V11-V15 HydrophobicContact CG1-CG2 4.29Å; V11-V15 WeakPolarHBondContact O-CB 3.06Å; V11-V15 VanDerWaalsContact O-CG2 3.24Å; V11-V15 WeakPolarHBondContact O-CG2 3.44Å; V11-V15 PolarHBondContact O-N 3.28Å
12K90.7Very high90.8Very high108 Ų10879.6 Ų79.647%0.4740%0.4SS..Hα-helixtrans-58.6-47.2177.4-79.1173.2169168.10111.4E8 S9 V15 E16E8-K12 HydrophobicContact CG-CD 4.4Å; E8-K12 WeakPolarHBondContact O-CG 3.38Å; E8-K12 PolarHBondContact O-N 3.04Å; E8-K12 WeakPolarHBondContact OE1-CE 3.24Å; E8-K12 IonicContact OE1-NZ 2.71Å; E8-K12 PolarHBondContact OE1-NZ 3.11Å; S9-K12 PolarHBondContact O-N 2.88Å; K12-V15 PolarHBondContact O-N 3.26Å; K12-E16 WeakPolarHBondContact O-CG 3.44Å; K12-E16 PolarHBondContact O-N 3.46Å
13E91.4Very high91.4Very high89 Ų8978.8 Ų78.842%0.41638%0.375SS..Hα-helixtrans-62.5-44.3177.9-170.6-173.9161.700112Y3 S9 V11 E16 K17Y3-E13 HydrophobicContact CE1-CG 4.4Å; S9-E13 PolarHBondContact O-N 2.82Å; V11-E13 PolarHBondContact O-N 2.97Å; E13-E16 PolarHBondContact O-N 2.89Å; E13-K17 HydrophobicContact CG-CD 4.44Å; E13-K17 WeakPolarHBondContact O-CG 3.47Å; E13-K17 PolarHBondContact O-N 3.38Å; E13-K17 VanDerWaalsContact OE1-CE 3.26Å; E13-K17 WeakPolarHBondContact OE1-CE 3.42Å; E13-K17 IonicContact OE1-NZ 3.52Å; E13-K17 PolarHBondContact OE1-NZ 3.11Å
14Y92.2Very high92.1Very high93 Ų9381 Ų8137%0.36539%0.386SS..Hα-helixtrans-59.9-46.9177176.9-111.1000111.8Y3 L5 D10 V11 E16 K17 L18Y3-Y14 AromaticContact CD2-CD2 3.58Å; Y3-Y14 HydrophobicContact CD2-CD2 3.58Å; Y3-Y14 HydrophobicContact CD2-CE2 4.32Å; Y3-Y14 HydrophobicContact CD2-CG 4.25Å; Y3-Y14 AromaticContact CE2-CD2 3.6Å; Y3-Y14 HydrophobicContact CE2-CD2 3.6Å; Y3-Y14 HydrophobicContact CE2-CE2 4.34Å; Y3-Y14 HydrophobicContact CE2-CG 4.5Å; Y3-Y14 HydrophobicContact CG-CD2 4.2Å; Y3-Y14 HydrophobicContact CG-CG 4.44Å; L5-Y14 HydrophobicContact CD2-CD1 4.34Å; D10-Y14 VanDerWaalsContact O-CB 3.24Å; D10-Y14 WeakPolarHBondContact O-CB 3.45Å; D10-Y14 PolarHBondContact O-N 3.19Å; V11-Y14 PolarHBondContact O-N 2.85Å; Y14-E16 PolarHBondContact O-N 3.3Å; Y14-K17 PolarHBondContact O-N 3.41Å; Y14-L18 HydrophobicContact CD1-CD1 4.06Å; Y14-L18 HydrophobicContact CE1-CD1 3.54Å; Y14-L18 HydrophobicContact CE1-CG 4.14Å; Y14-L18 HydrophobicContact CE2-CD2 4.41Å; Y14-L18 HydrophobicContact CE2-CG 4.37Å; Y14-L18 PolarHBondContact O-N 3.34Å
15V92.2Very high92.7Very high33 Ų3377.2 Ų77.220%0.237%0.366CS..Hα-helixtrans-64.1-40.3179.5170.10000111.7V11 K12 K17 L18 G19 Y41 I45V11-V15 HydrophobicContact CG1-CG2 4.29Å; V11-V15 WeakPolarHBondContact O-CB 3.06Å; V11-V15 VanDerWaalsContact O-CG2 3.24Å; V11-V15 WeakPolarHBondContact O-CG2 3.44Å; V11-V15 PolarHBondContact O-N 3.28Å; K12-V15 PolarHBondContact O-N 3.26Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 2.98Å; V15-L18 WeakPolarHBondContact O-CB 3.23Å; V15-L18 PolarHBondContact O-N 3.06Å; V15-G19 PolarHBondContact O-N 3.43Å; V15-G19 VanDerWaalsContact O-N 3.09Å; V15-Y41 HydrophobicContact CG1-CE2 3.73Å; V15-Y41 VanDerWaalsContact O-CE2 3.23Å; V15-Y41 WeakPolarHBondContact O-CE2 3.44Å; V15-Y41 PolarHBondContact O-OH 3.19Å; V15-I45 HydrophobicContact CG1-CB 4.43Å; V15-I45 HydrophobicContact CG1-CG1 4.24Å; V15-I45 HydrophobicContact CG1-CG2 3.46Å; V15-I45 VanDerWaalsContact CG1-CG2 3.46Å
16E93.7Very high93.3Very high88 Ų8872 Ų7241%0.41134%0.339SS..Hα-helixtrans-63.2-40.5174.4-71-63.3171.600112.5K12 E13 Y14 G19 V20 Y41 K46K12-E16 WeakPolarHBondContact O-CG 3.44Å; K12-E16 PolarHBondContact O-N 3.46Å; E13-E16 PolarHBondContact O-N 2.89Å; Y14-E16 PolarHBondContact O-N 3.3Å; E16-G19 PolarHBondContact O-N 3.38Å; E16-G19 VanDerWaalsContact O-N 3.16Å; E16-V20 PolarHBondContact O-N 2.94Å; E16-V20 VanDerWaalsContact O-N 3.12Å; E16-Y41 PolarHBondContact OE2-OH 3.5Å; E16-Y41 VanDerWaalsContact OE2-OH 3.05Å; E16-K46 IonicContact OE1-NZ 2.64Å; E16-K46 PolarHBondContact OE1-NZ 3.02Å; E16-K46 WeakPolarHBondContact OE2-CE 3.43Å; E16-K46 IonicContact OE2-NZ 3.45Å; E16-K46 PolarHBondContact OE2-NZ 2.71Å
17K94Very high93.6Very high68 Ų6869.3 Ų69.330%0.29633%0.325SS..Hα-helixtrans-64.6-41.1176.5-75.8174.7-178.9173.90112.2Y3 E13 Y14 V15 G19 V20 E21Y3-K17 WeakPolarHBondContact OH-CD 3.33Å; Y3-K17 WeakPolarHBondContact OH-CE 3.49Å; Y3-K17 PolarHBondContact OH-NZ 3.16Å; E13-K17 HydrophobicContact CG-CD 4.44Å; E13-K17 WeakPolarHBondContact O-CG 3.47Å; E13-K17 PolarHBondContact O-N 3.38Å; E13-K17 VanDerWaalsContact OE1-CE 3.26Å; E13-K17 WeakPolarHBondContact OE1-CE 3.42Å; E13-K17 IonicContact OE1-NZ 3.52Å; E13-K17 PolarHBondContact OE1-NZ 3.11Å; Y14-K17 PolarHBondContact O-N 3.41Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 2.98Å; K17-G19 VanDerWaalsContact C-N 3.25Å; K17-G19 PolarHBondContact O-N 2.96Å; K17-V20 WeakPolarHBondContact O-CA 3.47Å; K17-V20 WeakPolarHBondContact O-CB 3.48Å; K17-V20 PolarHBondContact O-N 3.42Å; K17-E21 PolarHBondContact O-N 2.67Å
18L94.1Very high94Very high30 Ų3068 Ų6816%0.15733%0.328CS..Hα-helixtrans-55.6-43.3170.5-72.9177.5000111.4Y14 V15 V20 E21 Y22Y14-L18 HydrophobicContact CD1-CD1 4.06Å; Y14-L18 HydrophobicContact CE1-CD1 3.54Å; Y14-L18 HydrophobicContact CE1-CG 4.14Å; Y14-L18 HydrophobicContact CE2-CD2 4.41Å; Y14-L18 HydrophobicContact CE2-CG 4.37Å; Y14-L18 PolarHBondContact O-N 3.34Å; V15-L18 WeakPolarHBondContact O-CB 3.23Å; V15-L18 PolarHBondContact O-N 3.06Å; L18-V20 VanDerWaalsContact C-N 3.27Å; L18-V20 PolarHBondContact O-N 2.76Å; L18-E21 PolarHBondContact O-N 3.37Å; L18-Y22 HydrophobicContact CB-CE2 4.09Å; L18-Y22 HydrophobicContact CD2-CE1 4.48Å; L18-Y22 WeakPolarHBondContact O-CD2 3.42Å; L18-Y22 PolarHBondContact O-N 2.77Å
19G95Very high94.4Very high0 Ų068.4 Ų68.40%033%0.33CS..Hα-helixtrans-59.8-34.8175.200000113.8V15 E16 K17 R23V15-G19 PolarHBondContact O-N 3.43Å; V15-G19 VanDerWaalsContact O-N 3.09Å; E16-G19 PolarHBondContact O-N 3.38Å; E16-G19 VanDerWaalsContact O-N 3.16Å; K17-G19 VanDerWaalsContact C-N 3.25Å; K17-G19 PolarHBondContact O-N 2.96Å; G19-R23 WeakPolarHBondContact O-CG 3.43Å; G19-R23 PolarHBondContact O-N 2.88Å; G19-R23 PolarHBondContact O-NE 3.03Å; G19-R23 PolarHBondContact O-NH1 2.85Å
20V96.4Very high94.7Very high86 Ų8672.3 Ų72.352%0.52134%0.339SS..Hα-helixtrans-70.7-45.5174.3176.30000111E16 K17 L18 Y22 R23 F24E16-V20 PolarHBondContact O-N 2.94Å; E16-V20 VanDerWaalsContact O-N 3.12Å; K17-V20 WeakPolarHBondContact O-CA 3.47Å; K17-V20 WeakPolarHBondContact O-CB 3.48Å; K17-V20 PolarHBondContact O-N 3.42Å; L18-V20 VanDerWaalsContact C-N 3.27Å; L18-V20 PolarHBondContact O-N 2.76Å; V20-Y22 PolarHBondContact O-N 3.09Å; V20-R23 PolarHBondContact O-N 3.38Å; V20-F24 WeakPolarHBondContact O-CB 3.29Å; V20-F24 PolarHBondContact O-N 3.36Å
21E96.5Very high95.1Very high122 Ų12275.4 Ų75.457%0.5735%0.352SS*.Hα-helixtrans-59.8-45.8177.3-70.3174.5-172.100111.7K17 L18 R23 F24 G25K17-E21 PolarHBondContact O-N 2.67Å; L18-E21 PolarHBondContact O-N 3.37Å; E21-R23 PolarHBondContact O-N 2.72Å; E21-F24 PolarHBondContact O-N 3.3Å; E21-G25 PolarHBondContact O-N 2.89Å
22Y98Very high95.5Very high55 Ų5574.3 Ų74.322%0.21635%0.345CS..Hα-helixtrans-64.1-39.5177-58.2-24000112.3L18 V20 C26 L37 Y41L18-Y22 HydrophobicContact CB-CE2 4.09Å; L18-Y22 HydrophobicContact CD2-CE1 4.48Å; L18-Y22 WeakPolarHBondContact O-CD2 3.42Å; L18-Y22 PolarHBondContact O-N 2.77Å; V20-Y22 PolarHBondContact O-N 3.09Å; Y22-C26 WeakPolarHBondContact O-CB 3.49Å; Y22-C26 PolarHBondContact O-N 3.13Å; Y22-L37 HydrophobicContact CD1-CB 3.91Å; Y22-L37 HydrophobicContact CD1-CD1 4.24Å; Y22-L37 HydrophobicContact CD2-CB 4.07Å; Y22-L37 HydrophobicContact CE1-CB 3.98Å; Y22-L37 HydrophobicContact CE1-CD1 3.83Å; Y22-L37 HydrophobicContact CE1-CG 4.47Å; Y22-L37 HydrophobicContact CE2-CB 4.12Å; Y22-L37 HydrophobicContact CG-CB 3.97Å; Y22-Y41 HydrophobicContact CD2-CG 4.33Å
23R97.6Very high95.8Very high87 Ų8773.8 Ų73.833%0.32835%0.345SS..Hα-helixtrans-62.8-44.6173.8-80.5-172.7-73.9-83.21.9111.9G19 V20 E21 C26 Y27 L38G19-R23 WeakPolarHBondContact O-CG 3.43Å; G19-R23 PolarHBondContact O-N 2.88Å; G19-R23 PolarHBondContact O-NE 3.03Å; G19-R23 PolarHBondContact O-NH1 2.85Å; V20-R23 PolarHBondContact O-N 3.38Å; E21-R23 PolarHBondContact O-N 2.72Å; R23-C26 PolarHBondContact O-N 2.86Å; R23-Y27 HydrophobicContact CB-CD2 4.3Å; R23-Y27 HydrophobicContact CG-CE2 4.25Å; R23-Y27 WeakPolarHBondContact O-CB 3.08Å; R23-Y27 VanDerWaalsContact O-CD2 3.3Å; R23-Y27 WeakPolarHBondContact O-CD2 3.27Å; R23-Y27 PolarHBondContact O-N 3.27Å; R23-L38 HydrophobicContact CG-CD1 3.54Å; R23-L38 HydrophobicContact CG-CD2 3.96Å; R23-L38 HydrophobicContact CG-CG 4.41Å
24F97.4Very high96.2Very high118 Ų11870.2 Ų70.252%0.51833%0.331SS..Hα-helixtrans-64.3-49.1178.2-178-94.3000111.4V20 E21 C26 S28 E29V20-F24 WeakPolarHBondContact O-CB 3.29Å; V20-F24 PolarHBondContact O-N 3.36Å; E21-F24 PolarHBondContact O-N 3.3Å; F24-C26 VanDerWaalsContact C-N 3.29Å; F24-C26 PolarHBondContact O-N 2.68Å; F24-S28 WeakPolarHBondContact CD2-OG 3.37Å; F24-S28 WeakPolarHBondContact O-CA 3.46Å; F24-S28 WeakPolarHBondContact O-CB 3.41Å; F24-S28 PolarHBondContact O-N 3.36Å; F24-E29 HydrophobicContact CD1-CG 4.12Å; F24-E29 HydrophobicContact CE1-CG 3.79Å; F24-E29 PolarHBondContact O-N 3.36Å
25G97.2Very high96.4Very high2 Ų265.9 Ų65.92%0.02131%0.314CS..Hα-helixtrans-62.2-36.5177.700000113.1E21 E29 K30 K31 A34E21-G25 PolarHBondContact O-N 2.89Å; G25-E29 WeakPolarHBondContact CA-OE2 3.39Å; G25-E29 CarbonylContact O-C 3.59Å; G25-E29 WeakPolarHBondContact O-CB 3.37Å; G25-K30 PolarHBondContact O-N 3.4Å; G25-K30 VanDerWaalsContact O-N 3.11Å; G25-K31 PolarHBondContact O-N 3.34Å; G25-A34 VanDerWaalsContact C-CB 3.49Å
26C98.2Very high96.8Very high6 Ų665 Ų654%0.04131%0.307CS..Hα-helixtrans-72-55.2177-178.10000112.6Y22 R23 F24 K30 C35 L38Y22-C26 WeakPolarHBondContact O-CB 3.49Å; Y22-C26 PolarHBondContact O-N 3.13Å; R23-C26 PolarHBondContact O-N 2.86Å; F24-C26 VanDerWaalsContact C-N 3.29Å; F24-C26 PolarHBondContact O-N 2.68Å; C26-K30 VanDerWaalsContact O-CA 3.22Å; C26-K30 WeakPolarHBondContact O-CA 3.32Å; C26-K30 PolarHBondContact O-N 2.8Å; C26-C35 WeakPolarHBondContact CA-SG 3.45Å; C26-C35 HydrophobicContact CB-CB 3.84Å; C26-C35 WeakPolarHBondContact CB-SG 3.29Å; C26-C35 WeakPolarHBondContact SG-CA 3.44Å; C26-C35 WeakPolarHBondContact SG-CB 3.5Å; C26-C35 CovalentContact SG-SG 2.04Å; C26-C35 PolarHBondContact SG-SG 2.9Å; C26-L38 HydrophobicContact CB-CD2 4.05Å
27Y96.3Very high97Very high143 Ų14364.2 Ų64.256%0.56131%0.306SS*.Hα-helixtrans-88.3-34.9-169.9-62.1-55.7000113.9R23 L38R23-Y27 HydrophobicContact CB-CD2 4.3Å; R23-Y27 HydrophobicContact CG-CE2 4.25Å; R23-Y27 WeakPolarHBondContact O-CB 3.08Å; R23-Y27 VanDerWaalsContact O-CD2 3.3Å; R23-Y27 WeakPolarHBondContact O-CD2 3.27Å; R23-Y27 PolarHBondContact O-N 3.27Å; Y27-L38 HydrophobicContact CE2-CD2 3.71Å
28S96.1Very high97.2Very high75 Ų7561.1 Ų61.152%0.52429%0.292SS..THydrogen-bonded Turntrans-88.9-46.6-179.3-51.50000111.5F24F24-S28 WeakPolarHBondContact CD2-OG 3.37Å; F24-S28 WeakPolarHBondContact O-CA 3.46Å; F24-S28 WeakPolarHBondContact O-CB 3.41Å; F24-S28 PolarHBondContact O-N 3.36Å
29E96.5Very high97.4Very high94 Ų9459.7 Ų59.744%0.43929%0.285SS..SBendtrans-92.1-10.8-177.2-51.4-176115.100113.6F24 G25 K31F24-E29 HydrophobicContact CD1-CG 4.12Å; F24-E29 HydrophobicContact CE1-CG 3.79Å; F24-E29 PolarHBondContact O-N 3.36Å; G25-E29 WeakPolarHBondContact CA-OE2 3.39Å; G25-E29 CarbonylContact O-C 3.59Å; G25-E29 WeakPolarHBondContact O-CB 3.37Å; E29-K31 HydrophobicContact CB-CD 4.11Å; E29-K31 HydrophobicContact CB-CG 4.01Å; E29-K31 PolarHBondContact O-N 2.84Å; E29-K31 IonicContact OE1-NZ 3.48Å; E29-K31 PolarHBondContact OE1-NZ 3.26Å; E29-K31 WeakPolarHBondContact OE2-CD 3.45Å; E29-K31 VanDerWaalsContact OE2-CE 3.3Å; E29-K31 WeakPolarHBondContact OE2-CE 3.48Å; E29-K31 IonicContact OE2-NZ 2.66Å; E29-K31 PolarHBondContact OE2-NZ 2.94Å
30K96.3Very high97.5Very high142 Ų14262 Ų6262%0.61730%0.297SS*.  trans56.634.7178.8-61.2-176.7-178.2-178.70113.2G25 C26 Y63G25-K30 PolarHBondContact O-N 3.4Å; G25-K30 VanDerWaalsContact O-N 3.11Å; C26-K30 VanDerWaalsContact O-CA 3.22Å; C26-K30 WeakPolarHBondContact O-CA 3.32Å; C26-K30 PolarHBondContact O-N 2.8Å; K30-Y63 HydrophobicContact CB-CE1 4.21Å; K30-Y63 WeakPolarHBondContact CB-OH 3.07Å; K30-Y63 WeakPolarHBondContact O-CE1 3.38Å
31K97.9Very high97.6Very high94 Ų9458.4 Ų58.441%0.40927%0.274SS..  trans-85.7119.8178.6-67.7175.1-176160.20110.3G25 E29 E33 A34 C35G25-K31 PolarHBondContact O-N 3.34Å; E29-K31 HydrophobicContact CB-CD 4.11Å; E29-K31 HydrophobicContact CB-CG 4.01Å; E29-K31 PolarHBondContact O-N 2.84Å; E29-K31 IonicContact OE1-NZ 3.48Å; E29-K31 PolarHBondContact OE1-NZ 3.26Å; E29-K31 WeakPolarHBondContact OE2-CD 3.45Å; E29-K31 VanDerWaalsContact OE2-CE 3.3Å; E29-K31 WeakPolarHBondContact OE2-CE 3.48Å; E29-K31 IonicContact OE2-NZ 2.66Å; E29-K31 PolarHBondContact OE2-NZ 2.94Å; K31-E33 VanDerWaalsContact C-N 3.29Å; K31-E33 PolarHBondContact O-N 3.06Å; K31-A34 HydrophobicContact CB-CB 3.96Å; K31-A34 PolarHBondContact O-N 3.38Å; K31-A34 VanDerWaalsContact O-N 3.14Å; K31-C35 PolarHBondContact O-N 3.5Å
32P97.6Very high97.7Very high27 Ų2753.2 Ų53.218%0.17525%0.25CS..Hα-helixtrans-63.5-33.2-177.122.8-31000113.3C35 H36 T59 Y63 Y65P32-C35 PolarHBondContact O-N 3.22Å; P32-H36 PolarHBondContact O-N 3.48Å; P32-T59 HydrophobicContact CB-CG2 4.15Å; P32-T59 WeakPolarHBondContact O-CG2 3.32Å; P32-Y63 HydrophobicContact CB-CD1 4.21Å; P32-Y63 HydrophobicContact CB-CG 3.92Å; P32-Y63 HydrophobicContact CG-CD1 4.39Å; P32-Y65 HydrophobicContact CB-CD2 3.77Å; P32-Y65 HydrophobicContact CB-CE2 4.5Å; P32-Y65 HydrophobicContact CB-CG 4.08Å; P32-Y65 HydrophobicContact CG-CD2 4.24Å
33E97.9Very high97.6Very high98 Ų9852.1 Ų52.146%0.45825%0.247SC..Hα-helixtrans-63.8-42.4175.4-60.271.7-158.600110.9K31 H36 L37 Y65K31-E33 VanDerWaalsContact C-N 3.29Å; K31-E33 PolarHBondContact O-N 3.06Å; E33-H36 PolarHBondContact O-N 3.06Å; E33-L37 WeakPolarHBondContact O-CG 3.18Å; E33-L37 PolarHBondContact O-N 2.97Å; E33-Y65 HydrophobicContact CG-CE2 3.87Å
34A98.1Very high97.5Very high14 Ų1450.4 Ų50.412%0.11626%0.256CS..Hα-helixtrans-67-37.717700000111.6G25 K31 L37 L38G25-A34 VanDerWaalsContact C-CB 3.49Å; K31-A34 HydrophobicContact CB-CB 3.96Å; K31-A34 PolarHBondContact O-N 3.38Å; K31-A34 VanDerWaalsContact O-N 3.14Å; A34-L37 PolarHBondContact O-N 3.2Å; A34-L38 WeakPolarHBondContact O-CB 3.46Å; A34-L38 PolarHBondContact O-N 2.92Å
35C98.5Very high97.3Very high2 Ų249.2 Ų49.21%0.01426%0.255CS..Hα-helixtrans-64.4-41.4172.3-66.80000112.6C26 K31 P32 L38 G39 V55 T59C26-C35 WeakPolarHBondContact CA-SG 3.45Å; C26-C35 HydrophobicContact CB-CB 3.84Å; C26-C35 WeakPolarHBondContact CB-SG 3.29Å; C26-C35 WeakPolarHBondContact SG-CA 3.44Å; C26-C35 WeakPolarHBondContact SG-CB 3.5Å; C26-C35 CovalentContact SG-SG 2.04Å; C26-C35 PolarHBondContact SG-SG 2.9Å; K31-C35 PolarHBondContact O-N 3.5Å; P32-C35 PolarHBondContact O-N 3.22Å; C35-L38 WeakPolarHBondContact O-CB 3.24Å; C35-L38 PolarHBondContact O-N 3.5Å; C35-G39 PolarHBondContact O-N 3.02Å; C35-V55 HydrophobicContact CB-CG1 4.4Å; C35-V55 WeakPolarHBondContact O-CG1 3.5Å; C35-T59 HydrophobicContact CB-CG2 3.77Å; C35-T59 WeakPolarHBondContact CB-OG1 3.48Å
36H98.7Very high97.2Very high14 Ų1453.3 Ų53.37%0.06527%0.272CS..Hα-helixtrans-61.9-46175.3-172.582.2000111.9P32 E33 L38 G39 D40 Y56 Y65 K67 S68P32-H36 PolarHBondContact O-N 3.48Å; E33-H36 PolarHBondContact O-N 3.06Å; H36-L38 VanDerWaalsContact C-N 3.29Å; H36-L38 PolarHBondContact O-N 3.32Å; H36-G39 CarbonylContact O-C 3.48Å; H36-G39 WeakPolarHBondContact O-CA 3.38Å; H36-G39 PolarHBondContact O-N 2.99Å; H36-D40 IonicContact CD2-OD2 2.87Å; H36-D40 PolarHBondContact CD2-OD2 2.89Å; H36-D40 IonicContact NE2-OD1 2.79Å; H36-D40 IonicContact NE2-OD2 2.55Å; H36-D40 PolarHBondContact O-N 3.27Å; H36-Y56 AromaticContact ND1-CE1 3.95Å; H36-Y65 HydrophobicContact CB-CD1 3.83Å; H36-Y65 HydrophobicContact CB-CE1 3.44Å; H36-Y65 VanDerWaalsContact CB-CE1 3.44Å; H36-Y65 AromaticContact CG-CD1 3.99Å; H36-Y65 AromaticContact CG-CE1 3.5Å; H36-Y65 VanDerWaalsContact CG-CE1 3.5Å; H36-Y65 AromaticContact ND1-CD1 3.91Å; H36-Y65 AromaticContact ND1-CE1 3.76Å; H36-K67 WeakPolarHBondContact CE1-CB 3.48Å; H36-S68 PolarHBondContact ND1-OG 3.03Å
37L98.4Very high97.1Very high72 Ų7259.8 Ų59.838%0.37730%0.299SS..Hα-helixtrans-62.4-35.6175.5-69.9172.9000112.2Y22 E33 A34 G39 D40 Y41Y22-L37 HydrophobicContact CD1-CB 3.91Å; Y22-L37 HydrophobicContact CD1-CD1 4.24Å; Y22-L37 HydrophobicContact CD2-CB 4.07Å; Y22-L37 HydrophobicContact CE1-CB 3.98Å; Y22-L37 HydrophobicContact CE1-CD1 3.83Å; Y22-L37 HydrophobicContact CE1-CG 4.47Å; Y22-L37 HydrophobicContact CE2-CB 4.12Å; Y22-L37 HydrophobicContact CG-CB 3.97Å; E33-L37 WeakPolarHBondContact O-CG 3.18Å; E33-L37 PolarHBondContact O-N 2.97Å; A34-L37 PolarHBondContact O-N 3.2Å; L37-G39 VanDerWaalsContact C-N 3.32Å; L37-D40 PolarHBondContact O-N 3.11Å; L37-Y41 VanDerWaalsContact O-CB 3.3Å; L37-Y41 WeakPolarHBondContact O-CB 3.49Å; L37-Y41 PolarHBondContact O-N 3.45Å
38L98.5Very high97.1Very high2 Ų255 Ų551%0.0128%0.283CS..Hα-helixtrans-61.6-42.1170.417860.3000111.3R23 C26 Y27 A34 C35 H36 Y41 L42 V55R23-L38 HydrophobicContact CG-CD1 3.54Å; R23-L38 HydrophobicContact CG-CD2 3.96Å; R23-L38 HydrophobicContact CG-CG 4.41Å; C26-L38 HydrophobicContact CB-CD2 4.05Å; Y27-L38 HydrophobicContact CE2-CD2 3.71Å; A34-L38 WeakPolarHBondContact O-CB 3.46Å; A34-L38 PolarHBondContact O-N 2.92Å; C35-L38 WeakPolarHBondContact O-CB 3.24Å; C35-L38 PolarHBondContact O-N 3.5Å; H36-L38 VanDerWaalsContact C-N 3.29Å; H36-L38 PolarHBondContact O-N 3.32Å; L38-Y41 PolarHBondContact O-N 3Å; L38-L42 HydrophobicContact CD1-CD1 4.14Å; L38-L42 HydrophobicContact CD1-CG 4.21Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 HydrophobicContact CG-CG 4.5Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 WeakPolarHBondContact O-CD1 3.18Å; L38-L42 WeakPolarHBondContact O-CG 3.35Å; L38-L42 PolarHBondContact O-N 2.93Å; L38-V55 HydrophobicContact CB-CG1 4.43Å; L38-V55 HydrophobicContact CD2-CG2 4.25Å; L38-V55 HydrophobicContact CG-CG1 4.48Å; L38-V55 HydrophobicContact CG-CG2 4.48Å
39G98.3Very high97.1Very high0 Ų055.2 Ų55.20%028%0.275CS..Hα-helixtrans-58.1-49.2173.100000112.2C35 H36 L37 Y41 L42 E43 Y56C35-G39 PolarHBondContact O-N 3.02Å; H36-G39 CarbonylContact O-C 3.48Å; H36-G39 WeakPolarHBondContact O-CA 3.38Å; H36-G39 PolarHBondContact O-N 2.99Å; L37-G39 VanDerWaalsContact C-N 3.32Å; G39-Y41 PolarHBondContact O-N 3.41Å; G39-L42 PolarHBondContact O-N 3.47Å; G39-E43 WeakPolarHBondContact O-CB 3.5Å; G39-E43 PolarHBondContact O-N 3.1Å; G39-Y56 VanDerWaalsContact C-CZ 3.42Å; G39-Y56 PolarHBondContact O-OH 2.67Å
40D98.1Very high97.1Very high50 Ų5055.7 Ų55.727%0.26728%0.277SS..Hα-helixtrans-63.6-39.4178.2-72-19.6000112.2H36 L37 E43 G44 Y56 K71H36-D40 IonicContact CD2-OD2 2.87Å; H36-D40 PolarHBondContact CD2-OD2 2.89Å; H36-D40 IonicContact NE2-OD1 2.79Å; H36-D40 IonicContact NE2-OD2 2.55Å; H36-D40 PolarHBondContact O-N 3.27Å; L37-D40 PolarHBondContact O-N 3.11Å; D40-E43 PolarHBondContact O-N 3.38Å; D40-G44 PolarHBondContact O-N 3.3Å; D40-Y56 VanDerWaalsContact CA-OH 3.28Å; D40-Y56 WeakPolarHBondContact CA-OH 3.41Å; D40-Y56 PolarHBondContact N-OH 3.35Å; D40-Y56 VanDerWaalsContact N-OH 3.15Å; D40-Y56 PolarHBondContact OD1-OH 3.06Å; D40-K71 WeakPolarHBondContact OD1-CE 3.32Å; D40-K71 IonicContact OD1-NZ 3.03Å; D40-K71 PolarHBondContact OD1-NZ 3.43Å
41Y97.8Very high97.1Very high9 Ų954.5 Ų54.54%0.03527%0.272CS..Hα-helixtrans-61.5-45.8173.5176.9-98.6000111.7V15 E16 Y22 L37 L38 G39 I45 K46V15-Y41 HydrophobicContact CG1-CE2 3.73Å; V15-Y41 VanDerWaalsContact O-CE2 3.23Å; V15-Y41 WeakPolarHBondContact O-CE2 3.44Å; V15-Y41 PolarHBondContact O-OH 3.19Å; E16-Y41 PolarHBondContact OE2-OH 3.5Å; E16-Y41 VanDerWaalsContact OE2-OH 3.05Å; Y22-Y41 HydrophobicContact CD2-CG 4.33Å; L37-Y41 VanDerWaalsContact O-CB 3.3Å; L37-Y41 WeakPolarHBondContact O-CB 3.49Å; L37-Y41 PolarHBondContact O-N 3.45Å; L38-Y41 PolarHBondContact O-N 3Å; G39-Y41 PolarHBondContact O-N 3.41Å; Y41-I45 HydrophobicContact CD2-CB 3.96Å; Y41-I45 HydrophobicContact CD2-CG1 3.86Å; Y41-I45 HydrophobicContact CD2-CG2 4.34Å; Y41-I45 HydrophobicContact CE2-CB 3.99Å; Y41-I45 HydrophobicContact CE2-CG1 4.18Å; Y41-I45 HydrophobicContact CE2-CG2 3.85Å; Y41-I45 WeakPolarHBondContact O-CA 3.39Å; Y41-I45 VanDerWaalsContact O-CB 3.29Å; Y41-I45 WeakPolarHBondContact O-CB 3.49Å; Y41-I45 PolarHBondContact O-N 2.91Å; Y41-K46 HydrophobicContact CD1-CG 4.09Å; Y41-K46 HydrophobicContact CE1-CD 4.25Å; Y41-K46 HydrophobicContact CE1-CG 3.53Å; Y41-K46 PolarHBondContact O-N 3.32Å; Y41-K46 WeakPolarHBondContact OH-CE 3.4Å
42L98Very high97.1Very high13 Ų1350 Ų507%0.06825%0.253CS..Hα-helixtrans-64.5-42.1177.9-71165.6000111.2L38 G39 K46 K47 D48 K51 A52 V55L38-L42 HydrophobicContact CD1-CD1 4.14Å; L38-L42 HydrophobicContact CD1-CG 4.21Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 HydrophobicContact CG-CG 4.5Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 WeakPolarHBondContact O-CD1 3.18Å; L38-L42 WeakPolarHBondContact O-CG 3.35Å; L38-L42 PolarHBondContact O-N 2.93Å; G39-L42 PolarHBondContact O-N 3.47Å; L42-K46 HydrophobicContact CD2-CB 4.47Å; L42-K46 CarbonylContact O-C 3.47Å; L42-K47 CarbonylContact O-C 3.59Å; L42-K47 WeakPolarHBondContact O-CA 3.4Å; L42-K47 PolarHBondContact O-N 3.15Å; L42-D48 HydrophobicContact CD2-CB 4.24Å; L42-D48 PolarHBondContact O-N 3.27Å; L42-K51 HydrophobicContact CD1-CB 3.83Å; L42-K51 HydrophobicContact CD2-CB 4.21Å; L42-A52 HydrophobicContact CB-CB 3.78Å; L42-V55 HydrophobicContact CD1-CG2 3.91Å
43E97Very high97.1Very high33 Ų3349.2 Ų49.215%0.15425%0.247CC..Hα-helixtrans-66.7-54.8178.4169.2165.3-113.600112.7G39 D40 K47 F49 A52 Y56 K71 Y75 K80G39-E43 WeakPolarHBondContact O-CB 3.5Å; G39-E43 PolarHBondContact O-N 3.1Å; D40-E43 PolarHBondContact O-N 3.38Å; E43-K47 WeakPolarHBondContact O-CA 3.47Å; E43-F49 HydrophobicContact CG-CE1 4.39Å; E43-F49 WeakPolarHBondContact O-CE1 3.44Å; E43-A52 HydrophobicContact CB-CB 4.11Å; E43-Y56 PolarHBondContact OE2-OH 2.89Å; E43-K71 IonicContact OE2-NZ 2.69Å; E43-K71 PolarHBondContact OE2-NZ 3.03Å; E43-Y75 WeakPolarHBondContact CB-OH 3.44Å; E43-Y75 VanDerWaalsContact CD-OH 3.27Å; E43-Y75 WeakPolarHBondContact CG-OH 3.28Å; E43-Y75 WeakPolarHBondContact OE1-CE2 3.44Å; E43-Y75 PolarHBondContact OE1-OH 3.11Å; E43-K80 IonicContact OE1-NZ 3.02Å; E43-K80 PolarHBondContact OE1-NZ 3.33Å
44G94.6Very high97.1Very high50 Ų5051.3 Ų51.352%0.51526%0.255SS..Hα-helixtrans-87-39.3-167.700000113.8D40D40-G44 PolarHBondContact O-N 3.3Å
45I94.1Very high97.1Very high94 Ų9451 Ų5148%0.48225%0.251SS..THydrogen-bonded Turntrans-96.3-56.1-174-54-56.2000110.7V15 Y41 K47V15-I45 HydrophobicContact CG1-CB 4.43Å; V15-I45 HydrophobicContact CG1-CG1 4.24Å; V15-I45 HydrophobicContact CG1-CG2 3.46Å; V15-I45 VanDerWaalsContact CG1-CG2 3.46Å; Y41-I45 HydrophobicContact CD2-CB 3.96Å; Y41-I45 HydrophobicContact CD2-CG1 3.86Å; Y41-I45 HydrophobicContact CD2-CG2 4.34Å; Y41-I45 HydrophobicContact CE2-CB 3.99Å; Y41-I45 HydrophobicContact CE2-CG1 4.18Å; Y41-I45 HydrophobicContact CE2-CG2 3.85Å; Y41-I45 WeakPolarHBondContact O-CA 3.39Å; Y41-I45 VanDerWaalsContact O-CB 3.29Å; Y41-I45 WeakPolarHBondContact O-CB 3.49Å; Y41-I45 PolarHBondContact O-N 2.91Å; I45-K47 VanDerWaalsContact C-N 3.33Å
46K94.9Very high97.1Very high87 Ų8750.9 Ų50.938%0.37825%0.251SS..SBendtrans-79.8-16.9-178.1-64.5-65.1-177.71760113.4E16 Y41 L42 D48E16-K46 IonicContact OE1-NZ 2.64Å; E16-K46 PolarHBondContact OE1-NZ 3.02Å; E16-K46 WeakPolarHBondContact OE2-CE 3.43Å; E16-K46 IonicContact OE2-NZ 3.45Å; E16-K46 PolarHBondContact OE2-NZ 2.71Å; Y41-K46 HydrophobicContact CD1-CG 4.09Å; Y41-K46 HydrophobicContact CE1-CD 4.25Å; Y41-K46 HydrophobicContact CE1-CG 3.53Å; Y41-K46 PolarHBondContact O-N 3.32Å; Y41-K46 WeakPolarHBondContact OH-CE 3.4Å; L42-K46 HydrophobicContact CD2-CB 4.47Å; L42-K46 CarbonylContact O-C 3.47Å; K46-D48 HydrophobicContact CB-CB 4.25Å; K46-D48 PolarHBondContact O-N 3.03Å; K46-D48 VanDerWaalsContact O-N 3.11Å
47K94.6Very high97.1Very high143 Ų14353.9 Ų53.962%0.62226%0.264SS*.  trans51.727.6-172.1-57.5-178.4179.6177.90112.8L42 E43 I45 F49L42-K47 CarbonylContact O-C 3.59Å; L42-K47 WeakPolarHBondContact O-CA 3.4Å; L42-K47 PolarHBondContact O-N 3.15Å; E43-K47 WeakPolarHBondContact O-CA 3.47Å; I45-K47 VanDerWaalsContact C-N 3.33Å; K47-F49 HydrophobicContact CB-CE2 4.38Å; K47-F49 HydrophobicContact CB-CZ 4.05Å; K47-F49 PolarHBondContact O-N 3.17Å
48D96.2Very high97.1Very high42 Ų4252.6 Ų52.623%0.22526%0.261CS..  trans-89.278.1177-171.1-24.8000108.5L42 K46 E50 K51 A52L42-D48 HydrophobicContact CD2-CB 4.24Å; L42-D48 PolarHBondContact O-N 3.27Å; K46-D48 HydrophobicContact CB-CB 4.25Å; K46-D48 PolarHBondContact O-N 3.03Å; K46-D48 VanDerWaalsContact O-N 3.11Å; D48-E50 VanDerWaalsContact C-N 3.26Å; D48-E50 PolarHBondContact O-N 3.08Å; D48-K51 HydrophobicContact CB-CB 4.49Å; D48-K51 PolarHBondContact O-N 3.49Å; D48-K51 WeakPolarHBondContact OD1-CB 3.14Å; D48-K51 WeakPolarHBondContact OD1-CG 3.48Å; D48-K51 PolarHBondContact OD1-N 3.43Å; D48-K51 WeakPolarHBondContact OD2-CD 3.1Å; D48-K51 WeakPolarHBondContact OD2-CE 3.29Å; D48-K51 WeakPolarHBondContact OD2-CG 3.11Å; D48-K51 IonicContact OD2-NZ 2.78Å; D48-K51 PolarHBondContact OD2-NZ 2.97Å; D48-A52 WeakPolarHBondContact O-CB 3.41Å; D48-A52 PolarHBondContact O-N 2.99Å
49F96.4Very high97.1Very high79 Ų7952.5 Ų52.535%0.34626%0.26SS..Hα-helixtrans-65.8-29.1-175.1-54.8-54.4000112.7E43 K47 S53 Y75 K80 G81E43-F49 HydrophobicContact CG-CE1 4.39Å; E43-F49 WeakPolarHBondContact O-CE1 3.44Å; K47-F49 HydrophobicContact CB-CE2 4.38Å; K47-F49 HydrophobicContact CB-CZ 4.05Å; K47-F49 PolarHBondContact O-N 3.17Å; F49-S53 VanDerWaalsContact O-CB 3.24Å; F49-S53 WeakPolarHBondContact O-CB 3.47Å; F49-S53 PolarHBondContact O-N 3.04Å; F49-Y75 HydrophobicContact CB-CE1 4.11Å; F49-Y75 WeakPolarHBondContact O-CE1 3.43Å; F49-K80 HydrophobicContact CB-CG 4.22Å; F49-K80 HydrophobicContact CD1-CD 4.35Å; F49-K80 HydrophobicContact CD1-CG 4.45Å; F49-K80 HydrophobicContact CG-CG 4.28Å; F49-G81 WeakPolarHBondContact O-CA 3.37Å
50E96.7Very high97.1Very high104 Ų10452.5 Ų52.549%0.48626%0.26SS..Hα-helixtrans-68.6-45.9178.1-56.7-163.7162.200111D48 K54 G81D48-E50 VanDerWaalsContact C-N 3.26Å; D48-E50 PolarHBondContact O-N 3.08Å; E50-K54 WeakPolarHBondContact O-CG 3.26Å; E50-K54 PolarHBondContact O-N 3.02Å; E50-G81 WeakPolarHBondContact CG-O 3.36Å
51K96.8Very high97.1Very high118 Ų11852.6 Ų52.651%0.51326%0.261SS..Hα-helixtrans-69.3-41.3175.1-67.8-168.9-167.3113.70111.8L42 D48 S53 K54 V55L42-K51 HydrophobicContact CD1-CB 3.83Å; L42-K51 HydrophobicContact CD2-CB 4.21Å; D48-K51 HydrophobicContact CB-CB 4.49Å; D48-K51 PolarHBondContact O-N 3.49Å; D48-K51 WeakPolarHBondContact OD1-CB 3.14Å; D48-K51 WeakPolarHBondContact OD1-CG 3.48Å; D48-K51 PolarHBondContact OD1-N 3.43Å; D48-K51 WeakPolarHBondContact OD2-CD 3.1Å; D48-K51 WeakPolarHBondContact OD2-CE 3.29Å; D48-K51 WeakPolarHBondContact OD2-CG 3.11Å; D48-K51 IonicContact OD2-NZ 2.78Å; D48-K51 PolarHBondContact OD2-NZ 2.97Å; K51-S53 VanDerWaalsContact C-N 3.31Å; K51-S53 PolarHBondContact O-N 3.39Å; K51-K54 PolarHBondContact O-N 2.96Å; K51-V55 WeakPolarHBondContact O-CG2 3.32Å; K51-V55 PolarHBondContact O-N 3.28Å
52A98.2Very high97.2Very high0 Ų057.9 Ų57.90%029%0.289CS..Hα-helixtrans-56.2-47.4175.900000111L42 E43 D48 K54 V55 Y56 Y75L42-A52 HydrophobicContact CB-CB 3.78Å; E43-A52 HydrophobicContact CB-CB 4.11Å; D48-A52 WeakPolarHBondContact O-CB 3.41Å; D48-A52 PolarHBondContact O-N 2.99Å; A52-K54 PolarHBondContact O-N 3.32Å; A52-V55 PolarHBondContact O-N 2.9Å; A52-Y56 HydrophobicContact CB-CD2 4.39Å; A52-Y56 HydrophobicContact CB-CE2 4.02Å; A52-Y56 WeakPolarHBondContact O-CD2 3.4Å; A52-Y56 PolarHBondContact O-N 3.16Å; A52-Y75 HydrophobicContact CB-CE1 4.36Å
53S97.8Very high97.1Very high9 Ų961.5 Ų61.56%0.06330%0.303CS..Hα-helixtrans-55.4-48176.5-171.40000112.3F49 K51 Y56 K57 Y72 Y75F49-S53 VanDerWaalsContact O-CB 3.24Å; F49-S53 WeakPolarHBondContact O-CB 3.47Å; F49-S53 PolarHBondContact O-N 3.04Å; K51-S53 VanDerWaalsContact C-N 3.31Å; K51-S53 PolarHBondContact O-N 3.39Å; S53-Y56 PolarHBondContact O-N 3.3Å; S53-K57 WeakPolarHBondContact O-CB 3.32Å; S53-K57 PolarHBondContact O-N 3.37Å; S53-Y72 WeakPolarHBondContact O-CD2 3.43Å; S53-Y72 WeakPolarHBondContact OG-CE2 3.15Å; S53-Y75 VanDerWaalsContact CB-CD1 3.5Å
54K97.6Very high97.2Very high143 Ų14361.3 Ų61.362%0.62231%0.309SS*.Hα-helixtrans-61.3-45.2178.5-71.2173.1-176.2173.50111.8E50 K51 A52 K57 S58E50-K54 WeakPolarHBondContact O-CG 3.26Å; E50-K54 PolarHBondContact O-N 3.02Å; K51-K54 PolarHBondContact O-N 2.96Å; A52-K54 PolarHBondContact O-N 3.32Å; K54-K57 PolarHBondContact O-N 2.87Å; K54-S58 PolarHBondContact O-N 3.09Å; K54-S58 PolarHBondContact O-OG 3.3Å
55V98.4Very high97.4Very high6 Ų661.2 Ų61.24%0.03629%0.294CS..Hα-helixtrans-64-47.4178.8173.40000110.9C35 L38 L42 K51 A52 K57 S58 T59C35-V55 HydrophobicContact CB-CG1 4.4Å; C35-V55 WeakPolarHBondContact O-CG1 3.5Å; L38-V55 HydrophobicContact CB-CG1 4.43Å; L38-V55 HydrophobicContact CD2-CG2 4.25Å; L38-V55 HydrophobicContact CG-CG1 4.48Å; L38-V55 HydrophobicContact CG-CG2 4.48Å; L42-V55 HydrophobicContact CD1-CG2 3.91Å; K51-V55 WeakPolarHBondContact O-CG2 3.32Å; K51-V55 PolarHBondContact O-N 3.28Å; A52-V55 PolarHBondContact O-N 2.9Å; V55-K57 VanDerWaalsContact C-N 3.32Å; V55-K57 PolarHBondContact O-N 3.31Å; V55-S58 PolarHBondContact O-N 3.36Å; V55-S58 PolarHBondContact O-OG 2.82Å; V55-T59 VanDerWaalsContact O-CB 3.27Å; V55-T59 WeakPolarHBondContact O-CB 3.33Å; V55-T59 PolarHBondContact O-N 3.46Å; V55-T59 PolarHBondContact O-OG1 3.39Å
56Y98.7Very high97.6Very high0 Ų057.6 Ų57.60%028%0.278CS..Hα-helixtrans-60.5-43176.4-66.4-51.8000111.9H36 G39 D40 E43 A52 S53 T59 C60 S68 K71 Y75H36-Y56 AromaticContact ND1-CE1 3.95Å; G39-Y56 VanDerWaalsContact C-CZ 3.42Å; G39-Y56 PolarHBondContact O-OH 2.67Å; D40-Y56 VanDerWaalsContact CA-OH 3.28Å; D40-Y56 WeakPolarHBondContact CA-OH 3.41Å; D40-Y56 PolarHBondContact N-OH 3.35Å; D40-Y56 VanDerWaalsContact N-OH 3.15Å; D40-Y56 PolarHBondContact OD1-OH 3.06Å; E43-Y56 PolarHBondContact OE2-OH 2.89Å; A52-Y56 HydrophobicContact CB-CD2 4.39Å; A52-Y56 HydrophobicContact CB-CE2 4.02Å; A52-Y56 WeakPolarHBondContact O-CD2 3.4Å; A52-Y56 PolarHBondContact O-N 3.16Å; S53-Y56 PolarHBondContact O-N 3.3Å; Y56-T59 PolarHBondContact O-N 3.36Å; Y56-C60 WeakPolarHBondContact O-CB 3.47Å; Y56-C60 PolarHBondContact O-N 2.89Å; Y56-S68 WeakPolarHBondContact O-CB 3.4Å; Y56-K71 HydrophobicContact CD1-CB 3.69Å; Y56-K71 HydrophobicContact CD1-CG 4.13Å; Y56-K71 HydrophobicContact CD2-CB 3.94Å; Y56-K71 HydrophobicContact CE1-CB 3.85Å; Y56-K71 HydrophobicContact CE1-CD 4.36Å; Y56-K71 HydrophobicContact CE1-CG 3.81Å; Y56-K71 HydrophobicContact CE2-CB 4.1Å; Y56-K71 HydrophobicContact CE2-CD 4.45Å; Y56-K71 HydrophobicContact CE2-CG 4.47Å; Y56-K71 HydrophobicContact CG-CB 3.73Å; Y56-Y75 HydrophobicContact CD2-CD2 4.34Å; Y56-Y75 HydrophobicContact CD2-CE2 4.02Å; Y56-Y75 HydrophobicContact CE2-CD2 4.49Å; Y56-Y75 AromaticContact CE2-CE2 3.76Å; Y56-Y75 HydrophobicContact CE2-CE2 3.76Å
57K98.4Very high97.8Very high78 Ų7858.8 Ų58.834%0.33928%0.283SS..Hα-helixtrans-59.3-56.1177.9-166.5-174-178.1-63.80111.6S53 K54 V55 T59 C60 D61 Y72 Y95S53-K57 WeakPolarHBondContact O-CB 3.32Å; S53-K57 PolarHBondContact O-N 3.37Å; K54-K57 PolarHBondContact O-N 2.87Å; V55-K57 VanDerWaalsContact C-N 3.32Å; V55-K57 PolarHBondContact O-N 3.31Å; K57-T59 VanDerWaalsContact C-N 3.3Å; K57-T59 PolarHBondContact O-N 2.77Å; K57-C60 WeakPolarHBondContact O-CB 3.4Å; K57-C60 PolarHBondContact O-N 3.18Å; K57-D61 WeakPolarHBondContact CG-OD2 3.46Å; K57-D61 IonicContact NZ-OD2 2.69Å; K57-D61 PolarHBondContact NZ-OD2 3.23Å; K57-D61 WeakPolarHBondContact O-CB 3.04Å; K57-D61 PolarHBondContact O-N 3.08Å; K57-Y72 HydrophobicContact CB-CD1 4.39Å; K57-Y72 HydrophobicContact CB-CD2 3.53Å; K57-Y72 HydrophobicContact CB-CE1 4.41Å; K57-Y72 HydrophobicContact CB-CE2 3.56Å; K57-Y72 HydrophobicContact CB-CG 3.95Å; K57-Y72 HydrophobicContact CD-CE1 4.17Å; K57-Y72 HydrophobicContact CD-CE2 3.91Å; K57-Y72 HydrophobicContact CG-CD1 4.15Å; K57-Y72 HydrophobicContact CG-CD2 4.07Å; K57-Y72 HydrophobicContact CG-CE1 3.88Å; K57-Y72 HydrophobicContact CG-CE2 3.79Å; K57-Y72 HydrophobicContact CG-CG 4.23Å; K57-Y95 VanDerWaalsContact CE-OH 3.26Å; K57-Y95 WeakPolarHBondContact CE-OH 3.45Å; K57-Y95 HydrophobicContact CG-CE1 4.45Å; K57-Y95 PolarHBondContact NZ-OH 2.88Å
58S98.2Very high98Very high45 Ų4552 Ų5232%0.31525%0.254SS..Hα-helixtrans-64-37.4-178.563.60000111.4K54 V55 C60 D61 D62K54-S58 PolarHBondContact O-N 3.09Å; K54-S58 PolarHBondContact O-OG 3.3Å; V55-S58 PolarHBondContact O-N 3.36Å; V55-S58 PolarHBondContact O-OG 2.82Å; S58-C60 VanDerWaalsContact C-N 3.34Å; S58-C60 PolarHBondContact O-N 3.14Å; S58-D61 PolarHBondContact O-N 3.4Å; S58-D62 VanDerWaalsContact O-CB 3.26Å; S58-D62 WeakPolarHBondContact O-CB 3.4Å; S58-D62 VanDerWaalsContact O-CG 3.3Å; S58-D62 PolarHBondContact O-N 3.41Å
59T98.6Very high98.1Very high0 Ų050 Ų500%024%0.243CC..Hα-helixtrans-64.3-39.3177.2-48.40000111.9P32 C35 V55 Y56 K57 Y63 Y65 S68P32-T59 HydrophobicContact CB-CG2 4.15Å; P32-T59 WeakPolarHBondContact O-CG2 3.32Å; C35-T59 HydrophobicContact CB-CG2 3.77Å; C35-T59 WeakPolarHBondContact CB-OG1 3.48Å; V55-T59 VanDerWaalsContact O-CB 3.27Å; V55-T59 WeakPolarHBondContact O-CB 3.33Å; V55-T59 PolarHBondContact O-N 3.46Å; V55-T59 PolarHBondContact O-OG1 3.39Å; Y56-T59 PolarHBondContact O-N 3.36Å; K57-T59 VanDerWaalsContact C-N 3.3Å; K57-T59 PolarHBondContact O-N 2.77Å; T59-Y63 HydrophobicContact CG2-CD2 4.44Å; T59-Y63 WeakPolarHBondContact O-CB 3.47Å; T59-Y63 PolarHBondContact O-N 3.4Å; T59-Y65 HydrophobicContact CG2-CD1 4.38Å; T59-Y65 HydrophobicContact CG2-CG 4.27Å; T59-Y65 PolarHBondContact O-N 2.03Å; T59-S68 WeakPolarHBondContact CB-OG 3.36Å; T59-S68 WeakPolarHBondContact CG2-OG 3.4Å
60C98.7Very high98.2Very high0 Ų048.2 Ų48.20%023%0.234CC..Hα-helixtrans-67.1-43.3172.6175.70000112.2Y56 K57 S58 G64 C69 Y95 K98Y56-C60 WeakPolarHBondContact O-CB 3.47Å; Y56-C60 PolarHBondContact O-N 2.89Å; K57-C60 WeakPolarHBondContact O-CB 3.4Å; K57-C60 PolarHBondContact O-N 3.18Å; S58-C60 VanDerWaalsContact C-N 3.34Å; S58-C60 PolarHBondContact O-N 3.14Å; C60-G64 VanDerWaalsContact O-CA 3.31Å; C60-G64 WeakPolarHBondContact O-CA 3.34Å; C60-G64 PolarHBondContact O-N 3.34Å; C60-G64 VanDerWaalsContact O-N 3.12Å; C60-C69 VanDerWaalsContact CA-SG 3.6Å; C60-C69 HydrophobicContact CB-CB 3.92Å; C60-C69 WeakPolarHBondContact CB-SG 3.3Å; C60-C69 WeakPolarHBondContact SG-CA 3.42Å; C60-C69 WeakPolarHBondContact SG-CB 2.85Å; C60-C69 CovalentContact SG-SG 2.03Å; C60-C69 PolarHBondContact SG-SG 3.43Å; C60-Y95 HydrophobicContact CB-CD1 4.37Å; C60-Y95 HydrophobicContact CB-CE1 4.25Å; C60-Y95 VanDerWaalsContact SG-CD1 3.56Å; C60-K98 WeakPolarHBondContact O-CE 3.49Å; C60-K98 PolarHBondContact O-NZ 3.21Å; C60-K98 VanDerWaalsContact SG-CE 3.56Å
61D98.5Very high98.3Very high52 Ų5245.6 Ų45.628%0.27822%0.221SC..Hα-helixtrans-75.7-45.2-172.6-71-20.6000113.4K57 S58 Y95 K98K57-D61 WeakPolarHBondContact CG-OD2 3.46Å; K57-D61 IonicContact NZ-OD2 2.69Å; K57-D61 PolarHBondContact NZ-OD2 3.23Å; K57-D61 WeakPolarHBondContact O-CB 3.04Å; K57-D61 PolarHBondContact O-N 3.08Å; S58-D61 PolarHBondContact O-N 3.4Å; D61-Y95 VanDerWaalsContact OD1-CE1 3.31Å; D61-Y95 WeakPolarHBondContact OD1-CE1 3.42Å; D61-Y95 PolarHBondContact OD1-OH 3.44Å; D61-Y95 PolarHBondContact OD2-OH 3.35Å; D61-K98 IonicContact OD1-NZ 2.71Å; D61-K98 PolarHBondContact OD1-NZ 2.89Å
62D98Very high98.4Very high119 Ų11940.6 Ų40.664%0.63620%0.199SC*.Hα-helixtrans-87-27.9-172.2-55.8-27.1000112.2S58S58-D62 VanDerWaalsContact O-CB 3.26Å; S58-D62 WeakPolarHBondContact O-CB 3.4Å; S58-D62 VanDerWaalsContact O-CG 3.3Å; S58-D62 PolarHBondContact O-N 3.41Å
63Y97.7Very high98.3Very high90 Ų9040.6 Ų40.635%0.35320%0.199SC..Hα-helixtrans-119.7-9-174.3-56.3-89.6000114.7K30 P32 T59 Y65K30-Y63 HydrophobicContact CB-CE1 4.21Å; K30-Y63 WeakPolarHBondContact CB-OH 3.07Å; K30-Y63 WeakPolarHBondContact O-CE1 3.38Å; P32-Y63 HydrophobicContact CB-CD1 4.21Å; P32-Y63 HydrophobicContact CB-CG 3.92Å; P32-Y63 HydrophobicContact CG-CD1 4.39Å; T59-Y63 HydrophobicContact CG2-CD2 4.44Å; T59-Y63 WeakPolarHBondContact O-CB 3.47Å; T59-Y63 PolarHBondContact O-N 3.4Å; Y63-Y65 VanDerWaalsContact C-N 3.28Å; Y63-Y65 PolarHBondContact O-N 2.8Å
64G98Very high98.3Very high28 Ų2841.9 Ų41.929%0.28921%0.205SC..  trans61.636.6-174.700000112.7C60 A66 L102C60-G64 VanDerWaalsContact O-CA 3.31Å; C60-G64 WeakPolarHBondContact O-CA 3.34Å; C60-G64 PolarHBondContact O-N 3.34Å; C60-G64 VanDerWaalsContact O-N 3.12Å; G64-A66 PolarHBondContact O-N 3.46Å; G64-L102 WeakPolarHBondContact O-CD1 3.49Å
65Y98.5Very high98.3Very high49 Ų4935.2 Ų35.219%0.19218%0.176CC..  trans-81.6107.4179.5-163.3-106.1000111.1P32 E33 H36 T59 Y63 K67 S68 C69P32-Y65 HydrophobicContact CB-CD2 3.77Å; P32-Y65 HydrophobicContact CB-CE2 4.5Å; P32-Y65 HydrophobicContact CB-CG 4.08Å; P32-Y65 HydrophobicContact CG-CD2 4.24Å; E33-Y65 HydrophobicContact CG-CE2 3.87Å; H36-Y65 HydrophobicContact CB-CD1 3.83Å; H36-Y65 HydrophobicContact CB-CE1 3.44Å; H36-Y65 VanDerWaalsContact CB-CE1 3.44Å; H36-Y65 AromaticContact CG-CD1 3.99Å; H36-Y65 AromaticContact CG-CE1 3.5Å; H36-Y65 VanDerWaalsContact CG-CE1 3.5Å; H36-Y65 AromaticContact ND1-CD1 3.91Å; H36-Y65 AromaticContact ND1-CE1 3.76Å; T59-Y65 HydrophobicContact CG2-CD1 4.38Å; T59-Y65 HydrophobicContact CG2-CG 4.27Å; T59-Y65 PolarHBondContact O-N 2.03Å; Y63-Y65 VanDerWaalsContact C-N 3.28Å; Y63-Y65 PolarHBondContact O-N 2.8Å; Y65-K67 HydrophobicContact CD1-CB 4.22Å; Y65-K67 HydrophobicContact CE1-CB 3.92Å; Y65-K67 HydrophobicContact CE1-CD 4.39Å; Y65-K67 HydrophobicContact CE1-CG 4.47Å; Y65-K67 PolarHBondContact O-N 3.48Å; Y65-S68 WeakPolarHBondContact CD1-OG 3.34Å; Y65-S68 WeakPolarHBondContact O-CA 3.25Å; Y65-S68 WeakPolarHBondContact O-CB 3.43Å; Y65-S68 PolarHBondContact O-N 3.27Å; Y65-C69 PolarHBondContact O-N 3.29Å; Y65-C69 VanDerWaalsContact O-N 3.15Å
66A98.6Very high98.2Very high18 Ų1835.5 Ų35.515%0.14918%0.179CC..Hα-helixtrans-53.3-46.6-167.400000114.2G64 S68 C69 Y70 L102 D104G64-A66 PolarHBondContact O-N 3.46Å; A66-S68 VanDerWaalsContact C-N 3.29Å; A66-S68 PolarHBondContact O-N 3.46Å; A66-C69 VanDerWaalsContact O-CB 3.31Å; A66-C69 WeakPolarHBondContact O-CB 3.46Å; A66-C69 PolarHBondContact O-N 3.48Å; A66-C69 VanDerWaalsContact O-N 3.09Å; A66-Y70 PolarHBondContact O-N 3.04Å; A66-L102 HydrophobicContact CB-CB 3.46Å; A66-L102 VanDerWaalsContact CB-CB 3.46Å; A66-L102 HydrophobicContact CB-CD1 4.3Å; A66-D104 HydrophobicContact CB-CB 3.67Å
67K98.5Very high97.9Very high111 Ų11138.5 Ų38.548%0.48319%0.192SC..Hα-helixtrans-63.5-33.1178.2-65.3-179.4177.51800113H36 Y65 Y70 K71 D104H36-K67 WeakPolarHBondContact CE1-CB 3.48Å; Y65-K67 HydrophobicContact CD1-CB 4.22Å; Y65-K67 HydrophobicContact CE1-CB 3.92Å; Y65-K67 HydrophobicContact CE1-CD 4.39Å; Y65-K67 HydrophobicContact CE1-CG 4.47Å; Y65-K67 PolarHBondContact O-N 3.48Å; K67-Y70 PolarHBondContact O-N 3.46Å; K67-K71 WeakPolarHBondContact O-CB 3.33Å; K67-K71 WeakPolarHBondContact O-CG 3.5Å; K67-K71 PolarHBondContact O-N 3.37Å; K67-D104 WeakPolarHBondContact CG-OD1 3.48Å
68S98.8Very high97.6Very high0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-71.7-33.6175.7-70.10000111.4H36 Y56 T59 Y65 A66 K71 Y72H36-S68 PolarHBondContact ND1-OG 3.03Å; Y56-S68 WeakPolarHBondContact O-CB 3.4Å; T59-S68 WeakPolarHBondContact CB-OG 3.36Å; T59-S68 WeakPolarHBondContact CG2-OG 3.4Å; Y65-S68 WeakPolarHBondContact CD1-OG 3.34Å; Y65-S68 WeakPolarHBondContact O-CA 3.25Å; Y65-S68 WeakPolarHBondContact O-CB 3.43Å; Y65-S68 PolarHBondContact O-N 3.27Å; A66-S68 VanDerWaalsContact C-N 3.29Å; A66-S68 PolarHBondContact O-N 3.46Å; S68-K71 PolarHBondContact O-N 3.1Å; S68-Y72 WeakPolarHBondContact O-CB 3.49Å; S68-Y72 PolarHBondContact O-N 3.14Å
69C98.8Very high97.4Very high0 Ų038.6 Ų38.60%019%0.194CC..Hα-helixtrans-63.1-46.3171.9-57.40000111.1C60 Y65 A66 Y72 G73 Y95C60-C69 VanDerWaalsContact CA-SG 3.6Å; C60-C69 HydrophobicContact CB-CB 3.92Å; C60-C69 WeakPolarHBondContact CB-SG 3.3Å; C60-C69 WeakPolarHBondContact SG-CA 3.42Å; C60-C69 WeakPolarHBondContact SG-CB 2.85Å; C60-C69 CovalentContact SG-SG 2.03Å; C60-C69 PolarHBondContact SG-SG 3.43Å; Y65-C69 PolarHBondContact O-N 3.29Å; Y65-C69 VanDerWaalsContact O-N 3.15Å; A66-C69 VanDerWaalsContact O-CB 3.31Å; A66-C69 WeakPolarHBondContact O-CB 3.46Å; A66-C69 PolarHBondContact O-N 3.48Å; A66-C69 VanDerWaalsContact O-N 3.09Å; C69-Y72 PolarHBondContact O-N 2.94Å; C69-G73 PolarHBondContact O-N 3.47Å; C69-Y95 WeakPolarHBondContact CB-O 3.37Å
70Y98.7Very high97Very high42 Ų4241.9 Ų41.917%0.16521%0.208CC..Hα-helixtrans-57.2-52.3172.9169.4-129.2000112.4A66 K67 Y72 G73 N74 Y96 D106 H110A66-Y70 PolarHBondContact O-N 3.04Å; K67-Y70 PolarHBondContact O-N 3.46Å; Y70-Y72 PolarHBondContact O-N 3.21Å; Y70-G73 WeakPolarHBondContact O-CA 3.32Å; Y70-G73 PolarHBondContact O-N 3.01Å; Y70-G73 VanDerWaalsContact O-N 3.12Å; Y70-N74 VanDerWaalsContact CE2-ND2 3.28Å; Y70-N74 WeakPolarHBondContact CE2-ND2 3.4Å; Y70-N74 WeakPolarHBondContact CE2-OD1 3.48Å; Y70-N74 PolarHBondContact O-N 3.3Å; Y70-N74 PolarHBondContact OH-ND2 3.34Å; Y70-Y96 HydrophobicContact CD2-CD1 4.01Å; Y70-Y96 AromaticContact CD2-CE1 3.84Å; Y70-Y96 HydrophobicContact CD2-CE1 3.84Å; Y70-Y96 HydrophobicContact CE2-CE1 4.18Å; Y70-D106 HydrophobicContact CD1-CB 3.88Å; Y70-D106 HydrophobicContact CD2-CB 4.17Å; Y70-D106 HydrophobicContact CE1-CB 3.64Å; Y70-D106 HydrophobicContact CE2-CB 3.98Å; Y70-D106 HydrophobicContact CG-CB 4.14Å; Y70-H110 AromaticContact CE2-CE1 3.51Å; Y70-H110 AromaticContact CE2-CG 3.98Å; Y70-H110 AromaticContact CE2-ND1 3.45Å; Y70-H110 WeakPolarHBondContact CE2-ND1 3.42Å; Y70-H110 AromaticContact CZ-CE1 3.82Å; Y70-H110 PolarHBondContact OH-CE1 3.43Å
71K98.5Very high96.5Very high49 Ų4942.6 Ų42.621%0.21322%0.216CC..Hα-helixtrans-57.5-46.9178.4-76.2-73.9-163160.80111.9D40 E43 Y56 K67 S68 G73 N74 Y75D40-K71 WeakPolarHBondContact OD1-CE 3.32Å; D40-K71 IonicContact OD1-NZ 3.03Å; D40-K71 PolarHBondContact OD1-NZ 3.43Å; E43-K71 IonicContact OE2-NZ 2.69Å; E43-K71 PolarHBondContact OE2-NZ 3.03Å; Y56-K71 HydrophobicContact CD1-CB 3.69Å; Y56-K71 HydrophobicContact CD1-CG 4.13Å; Y56-K71 HydrophobicContact CD2-CB 3.94Å; Y56-K71 HydrophobicContact CE1-CB 3.85Å; Y56-K71 HydrophobicContact CE1-CD 4.36Å; Y56-K71 HydrophobicContact CE1-CG 3.81Å; Y56-K71 HydrophobicContact CE2-CB 4.1Å; Y56-K71 HydrophobicContact CE2-CD 4.45Å; Y56-K71 HydrophobicContact CE2-CG 4.47Å; Y56-K71 HydrophobicContact CG-CB 3.73Å; K67-K71 WeakPolarHBondContact O-CB 3.33Å; K67-K71 WeakPolarHBondContact O-CG 3.5Å; K67-K71 PolarHBondContact O-N 3.37Å; S68-K71 PolarHBondContact O-N 3.1Å; K71-G73 VanDerWaalsContact C-N 3.31Å; K71-G73 PolarHBondContact O-N 2.96Å; K71-N74 WeakPolarHBondContact O-CB 3.45Å; K71-N74 PolarHBondContact O-N 3.09Å; K71-Y75 VanDerWaalsContact O-CD2 3.24Å; K71-Y75 WeakPolarHBondContact O-CD2 3.46Å; K71-Y75 PolarHBondContact O-N 3.34Å
72Y98.5Very high95.8Very high14 Ų1446 Ų466%0.05523%0.228CC..Hα-helixtrans-67.5-32.5177.7-174.6-101.1000112.6S53 K57 S68 C69 Y70 Y75 S76 V91 Y95S53-Y72 WeakPolarHBondContact O-CD2 3.43Å; S53-Y72 WeakPolarHBondContact OG-CE2 3.15Å; K57-Y72 HydrophobicContact CB-CD1 4.39Å; K57-Y72 HydrophobicContact CB-CD2 3.53Å; K57-Y72 HydrophobicContact CB-CE1 4.41Å; K57-Y72 HydrophobicContact CB-CE2 3.56Å; K57-Y72 HydrophobicContact CB-CG 3.95Å; K57-Y72 HydrophobicContact CD-CE1 4.17Å; K57-Y72 HydrophobicContact CD-CE2 3.91Å; K57-Y72 HydrophobicContact CG-CD1 4.15Å; K57-Y72 HydrophobicContact CG-CD2 4.07Å; K57-Y72 HydrophobicContact CG-CE1 3.88Å; K57-Y72 HydrophobicContact CG-CE2 3.79Å; K57-Y72 HydrophobicContact CG-CG 4.23Å; S68-Y72 WeakPolarHBondContact O-CB 3.49Å; S68-Y72 PolarHBondContact O-N 3.14Å; C69-Y72 PolarHBondContact O-N 2.94Å; Y70-Y72 PolarHBondContact O-N 3.21Å; Y72-Y75 PolarHBondContact O-N 2.96Å; Y72-S76 WeakPolarHBondContact CE1-OG 3.44Å; Y72-S76 WeakPolarHBondContact O-CB 3.07Å; Y72-S76 PolarHBondContact O-N 3.09Å; Y72-S76 PolarHBondContact O-OG 3.43Å; Y72-V91 HydrophobicContact CE1-CG1 4.42Å; Y72-Y95 AromaticContact CD1-CD1 3.48Å; Y72-Y95 HydrophobicContact CD1-CD1 3.48Å; Y72-Y95 VanDerWaalsContact CD1-CD1 3.48Å; Y72-Y95 AromaticContact CD1-CD2 3.63Å; Y72-Y95 HydrophobicContact CD1-CD2 3.63Å; Y72-Y95 AromaticContact CD1-CE1 3.5Å; Y72-Y95 HydrophobicContact CD1-CE1 3.5Å; Y72-Y95 AromaticContact CD1-CE2 3.65Å; Y72-Y95 HydrophobicContact CD1-CE2 3.65Å; Y72-Y95 AromaticContact CD1-CG 3.53Å; Y72-Y95 HydrophobicContact CD1-CG 3.53Å; Y72-Y95 AromaticContact CD1-CZ 3.58Å; Y72-Y95 HydrophobicContact CE1-CD1 4.23Å; Y72-Y95 AromaticContact CE1-CD2 3.68Å; Y72-Y95 HydrophobicContact CE1-CD2 3.68Å; Y72-Y95 AromaticContact CE1-CE1 3.95Å; Y72-Y95 HydrophobicContact CE1-CE1 3.95Å; Y72-Y95 AromaticContact CE1-CE2 3.36Å; Y72-Y95 HydrophobicContact CE1-CE2 3.36Å; Y72-Y95 HydrophobicContact CE1-CG 4.1Å; Y72-Y95 AromaticContact CE1-CZ 3.5Å; Y72-Y95 VanDerWaalsContact CE1-CZ 3.5Å; Y72-Y95 HydrophobicContact CG-CD1 4.36Å; Y72-Y95 HydrophobicContact CG-CE1 4.4Å
73G97.8Very high94.8Very high0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-56.3-48168.500000111.8C69 Y70 K71 Y75 S76 F77 A92 Y96C69-G73 PolarHBondContact O-N 3.47Å; Y70-G73 WeakPolarHBondContact O-CA 3.32Å; Y70-G73 PolarHBondContact O-N 3.01Å; Y70-G73 VanDerWaalsContact O-N 3.12Å; K71-G73 VanDerWaalsContact C-N 3.31Å; K71-G73 PolarHBondContact O-N 2.96Å; G73-Y75 PolarHBondContact O-N 3.3Å; G73-S76 PolarHBondContact O-N 3.36Å; G73-F77 WeakPolarHBondContact O-CB 3.2Å; G73-F77 PolarHBondContact O-N 3.33Å; G73-A92 WeakPolarHBondContact O-CB 3.42Å; G73-Y96 VanDerWaalsContact C-CZ 3.45Å; G73-Y96 VanDerWaalsContact C-OH 3.31Å; G73-Y96 PolarHBondContact O-OH 2.71Å
74N97.3Very high93.8Very high35 Ų3545.7 Ų45.719%0.18726%0.261CS..Hα-helixtrans-60.5-42.2175.2-76-13.4000112.3Y70 K71 F77 L78 Y96Y70-N74 VanDerWaalsContact CE2-ND2 3.28Å; Y70-N74 WeakPolarHBondContact CE2-ND2 3.4Å; Y70-N74 WeakPolarHBondContact CE2-OD1 3.48Å; Y70-N74 PolarHBondContact O-N 3.3Å; Y70-N74 PolarHBondContact OH-ND2 3.34Å; K71-N74 WeakPolarHBondContact O-CB 3.45Å; K71-N74 PolarHBondContact O-N 3.09Å; N74-F77 PolarHBondContact O-N 3.14Å; N74-L78 WeakPolarHBondContact O-CB 3.37Å; N74-L78 WeakPolarHBondContact O-CG 3.25Å; N74-L78 PolarHBondContact O-N 2.87Å; N74-Y96 VanDerWaalsContact CA-OH 3.3Å; N74-Y96 WeakPolarHBondContact CA-OH 3.35Å; N74-Y96 PolarHBondContact N-OH 3.02Å; N74-Y96 WeakPolarHBondContact OD1-CE1 3.37Å; N74-Y96 PolarHBondContact OD1-OH 3.2Å
75Y97.3Very high93.2Very high4 Ų446.9 Ų46.92%0.01627%0.265CS..Hα-helixtrans-63.5-43.6176.4-87.5-116.1000111.7E43 F49 A52 S53 Y56 K71 Y72 G73 G79 K80E43-Y75 WeakPolarHBondContact CB-OH 3.44Å; E43-Y75 VanDerWaalsContact CD-OH 3.27Å; E43-Y75 WeakPolarHBondContact CG-OH 3.28Å; E43-Y75 WeakPolarHBondContact OE1-CE2 3.44Å; E43-Y75 PolarHBondContact OE1-OH 3.11Å; F49-Y75 HydrophobicContact CB-CE1 4.11Å; F49-Y75 WeakPolarHBondContact O-CE1 3.43Å; A52-Y75 HydrophobicContact CB-CE1 4.36Å; S53-Y75 VanDerWaalsContact CB-CD1 3.5Å; Y56-Y75 HydrophobicContact CD2-CD2 4.34Å; Y56-Y75 HydrophobicContact CD2-CE2 4.02Å; Y56-Y75 HydrophobicContact CE2-CD2 4.49Å; Y56-Y75 AromaticContact CE2-CE2 3.76Å; Y56-Y75 HydrophobicContact CE2-CE2 3.76Å; K71-Y75 VanDerWaalsContact O-CD2 3.24Å; K71-Y75 WeakPolarHBondContact O-CD2 3.46Å; K71-Y75 PolarHBondContact O-N 3.34Å; Y72-Y75 PolarHBondContact O-N 2.96Å; G73-Y75 PolarHBondContact O-N 3.3Å; Y75-G79 CarbonylContact O-C 3.5Å; Y75-G79 WeakPolarHBondContact O-CA 3.4Å; Y75-G79 PolarHBondContact O-N 3.4Å; Y75-K80 HydrophobicContact CD1-CB 3.81Å; Y75-K80 HydrophobicContact CD1-CD 4.31Å; Y75-K80 HydrophobicContact CD1-CG 3.91Å; Y75-K80 VanDerWaalsContact CD1-O 3.23Å; Y75-K80 WeakPolarHBondContact CD1-O 3.39Å; Y75-K80 HydrophobicContact CD2-CD 4.36Å; Y75-K80 HydrophobicContact CE1-CB 4.15Å; Y75-K80 HydrophobicContact CE1-CD 3.91Å; Y75-K80 HydrophobicContact CE1-CG 3.71Å; Y75-K80 HydrophobicContact CE2-CD 3.99Å; Y75-K80 HydrophobicContact CG-CB 4.06Å; Y75-K80 HydrophobicContact CG-CG 4.44Å; Y75-K80 PolarHBondContact O-N 2.87Å; Y75-K80 WeakPolarHBondContact OH-CE 3.44Å
76S95.7Very high92.5Very high12 Ų1254.4 Ų54.48%0.08430%0.299CS..Hα-helixtrans-64.4-42.4177-61.70000110.7Y72 G73 G79 G87 N88Y72-S76 WeakPolarHBondContact CE1-OG 3.44Å; Y72-S76 WeakPolarHBondContact O-CB 3.07Å; Y72-S76 PolarHBondContact O-N 3.09Å; Y72-S76 PolarHBondContact O-OG 3.43Å; G73-S76 PolarHBondContact O-N 3.36Å; S76-G79 PolarHBondContact O-N 3.14Å; S76-G87 CarbonylContact O-C 3.5Å; S76-G87 WeakPolarHBondContact O-CA 3.49Å; S76-N88 PolarHBondContact O-N 2.95Å
77F93.5Very high92.1Very high63 Ų6354.4 Ų54.428%0.27630%0.301SS..Hα-helixtrans-63.1-46179.8-173.9-104.1000112.3G73 N74 P89 A92 Y96 L114 M120G73-F77 WeakPolarHBondContact O-CB 3.2Å; G73-F77 PolarHBondContact O-N 3.33Å; N74-F77 PolarHBondContact O-N 3.14Å; F77-P89 HydrophobicContact CD2-CB 4.44Å; F77-P89 HydrophobicContact CE2-CB 4.42Å; F77-A92 HydrophobicContact CB-CB 3.63Å; F77-A92 HydrophobicContact CD2-CB 4.15Å; F77-A92 HydrophobicContact CG-CB 4.4Å; F77-Y96 WeakPolarHBondContact CB-OH 3.45Å; F77-L114 HydrophobicContact CD2-CD2 4.32Å; F77-L114 HydrophobicContact CE2-CD2 3.89Å; F77-M120 HydrophobicContact CD2-CE 4.48Å; F77-M120 HydrophobicContact CE2-CE 3.22Å; F77-M120 HydrophobicContact CZ-CE 3.27Å
78L92.3Very high91.8Very high116 Ų11652.8 Ų52.861%0.60730%0.297SS*.Hα-helixtrans-88.2-7.3-176.3-62.1174.1000113.8N74 K80N74-L78 WeakPolarHBondContact O-CB 3.37Å; N74-L78 WeakPolarHBondContact O-CG 3.25Å; N74-L78 PolarHBondContact O-N 2.87Å; L78-K80 HydrophobicContact CB-CB 4.41Å; L78-K80 PolarHBondContact O-N 3.18Å
79G92.6Very high91.5Very high9 Ų953.4 Ų53.49%0.09330%0.302CS..THydrogen-bonded Turntrans68.714.4-170.700000113.9Y75 S76 K82 G87Y75-G79 CarbonylContact O-C 3.5Å; Y75-G79 WeakPolarHBondContact O-CA 3.4Å; Y75-G79 PolarHBondContact O-N 3.4Å; S76-G79 PolarHBondContact O-N 3.14Å; G79-K82 PolarHBondContact O-N 2.92Å; G79-G87 VanDerWaalsContact CA-CA 3.45Å; G79-G87 VanDerWaalsContact N-CA 3.28Å
80K91.4Very high91.2Very high68 Ų6856.8 Ų56.830%0.29632%0.317SS..THydrogen-bonded Turntrans-64.9141.2-178.5-167.2175.9177.7-177.60110.1E43 F49 Y75 L78 K82E43-K80 IonicContact OE1-NZ 3.02Å; E43-K80 PolarHBondContact OE1-NZ 3.33Å; F49-K80 HydrophobicContact CB-CG 4.22Å; F49-K80 HydrophobicContact CD1-CD 4.35Å; F49-K80 HydrophobicContact CD1-CG 4.45Å; F49-K80 HydrophobicContact CG-CG 4.28Å; Y75-K80 HydrophobicContact CD1-CB 3.81Å; Y75-K80 HydrophobicContact CD1-CD 4.31Å; Y75-K80 HydrophobicContact CD1-CG 3.91Å; Y75-K80 VanDerWaalsContact CD1-O 3.23Å; Y75-K80 WeakPolarHBondContact CD1-O 3.39Å; Y75-K80 HydrophobicContact CD2-CD 4.36Å; Y75-K80 HydrophobicContact CE1-CB 4.15Å; Y75-K80 HydrophobicContact CE1-CD 3.91Å; Y75-K80 HydrophobicContact CE1-CG 3.71Å; Y75-K80 HydrophobicContact CE2-CD 3.99Å; Y75-K80 HydrophobicContact CG-CB 4.06Å; Y75-K80 HydrophobicContact CG-CG 4.44Å; Y75-K80 PolarHBondContact O-N 2.87Å; Y75-K80 WeakPolarHBondContact OH-CE 3.44Å; L78-K80 HydrophobicContact CB-CB 4.41Å; L78-K80 PolarHBondContact O-N 3.18Å; K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.43Å
81G87Confident91Very high16 Ų1656.5 Ų56.517%0.16532%0.32CS..THydrogen-bonded Turntrans78.48.3-178.600000115.2F49 E50F49-G81 WeakPolarHBondContact O-CA 3.37Å; E50-G81 WeakPolarHBondContact CG-O 3.36Å
82K85.3Confident90.9Very high123 Ų12354.2 Ų54.254%0.53531%0.31SS..SBendtrans-135.2107.7168.4-67.7179.6-176.7173.80109G79 K80 G84 S85G79-K82 PolarHBondContact O-N 2.92Å; K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.43Å; K82-G84 PolarHBondContact O-N 2.99Å; K82-S85 WeakPolarHBondContact O-CB 3.39Å; K82-S85 PolarHBondContact O-N 3.37Å; K82-S85 VanDerWaalsContact O-N 3.11Å
83S75.9Confident90.7Very high121 Ų12154.4 Ų54.485%0.84631%0.311SS*.THydrogen-bonded Turntrans-53.6128.8-178.2-168.50000111.7S85S83-S85 VanDerWaalsContact C-N 3.27Å; S83-S85 PolarHBondContact O-N 3.22Å
84G77.9Confident90.7Very high81 Ų8159 Ų5984%0.83533%0.332SS*.THydrogen-bonded Turntrans74.13.9178.800000116.4K82K82-G84 PolarHBondContact O-N 2.99Å
85S83.8Confident90.8Very high54 Ų5458.6 Ų58.638%0.37833%0.328SS..  trans-78.7134.6177.8-175.40000111.8K82 S83 G87K82-S85 WeakPolarHBondContact O-CB 3.39Å; K82-S85 PolarHBondContact O-N 3.37Å; K82-S85 VanDerWaalsContact O-N 3.11Å; S83-S85 VanDerWaalsContact C-N 3.27Å; S83-S85 PolarHBondContact O-N 3.22Å; S85-G87 PolarHBondContact O-N 2.93Å; S85-G87 PolarHBondContact OG-N 3.38Å
86K84Confident90.8Very high207 Ų20758.5 Ų58.590%0.933%0.328SS*.  trans-80.12.7174.5-67.5-175.9178.41790113.8
87G90.7Very high90.9Very high18 Ų1860.3 Ų60.319%0.18634%0.335CS..  trans78.9168.2-168.200000112.7S76 G79 S85S76-G87 CarbonylContact O-C 3.5Å; S76-G87 WeakPolarHBondContact O-CA 3.49Å; G79-G87 VanDerWaalsContact CA-CA 3.45Å; G79-G87 VanDerWaalsContact N-CA 3.28Å; S85-G87 PolarHBondContact O-N 2.93Å; S85-G87 PolarHBondContact OG-N 3.38Å
88N92.2Very high91.2Very high76 Ų7660.6 Ų60.641%0.40634%0.336SS..  trans-135.498.6177.1-174.7-35.4000108S76 Q90 V91 A92S76-N88 PolarHBondContact O-N 2.95Å; N88-Q90 VanDerWaalsContact C-N 3.27Å; N88-Q90 PolarHBondContact O-N 3.47Å; N88-Q90 WeakPolarHBondContact OD1-CB 3.46Å; N88-Q90 PolarHBondContact OD1-N 3.19Å; N88-Q90 VanDerWaalsContact OD1-N 3.11Å; N88-V91 HydrophobicContact CB-CB 4.08Å; N88-V91 HydrophobicContact CB-CG2 4.15Å; N88-V91 VanDerWaalsContact CG-CG2 3.49Å; N88-V91 WeakPolarHBondContact ND2-CG2 3.24Å; N88-V91 PolarHBondContact O-N 3.26Å; N88-V91 PolarHBondContact OD1-N 3.36Å; N88-A92 PolarHBondContact O-N 3.02Å
89P91.9Very high91.5Very high14 Ų1455 Ų559%0.09131%0.307CS..Hα-helixtrans-58.6-36.9-179.9-2635000113.3F77 A92 Y93 P121 I124F77-P89 HydrophobicContact CD2-CB 4.44Å; F77-P89 HydrophobicContact CE2-CB 4.42Å; P89-A92 WeakPolarHBondContact O-CB 3.42Å; P89-A92 PolarHBondContact O-N 3.24Å; P89-Y93 PolarHBondContact O-N 2.98Å; P89-P121 HydrophobicContact CB-CB 4.38Å; P89-P121 HydrophobicContact CB-CG 4.26Å; P89-P121 HydrophobicContact CG-CB 3.75Å; P89-P121 HydrophobicContact CG-CG 3.55Å; P89-I124 HydrophobicContact CB-CD1 3.83Å; P89-I124 HydrophobicContact CB-CG1 4.12Å; P89-I124 WeakPolarHBondContact O-CD1 3.37Å
90Q92.7Very high91.8Very high71 Ų7154.6 Ų54.633%0.33230%0.303SS..Hα-helixtrans-65-47.3179.3-178.557.132.900111.4N88 A92 Y93 E94N88-Q90 VanDerWaalsContact C-N 3.27Å; N88-Q90 PolarHBondContact O-N 3.47Å; N88-Q90 WeakPolarHBondContact OD1-CB 3.46Å; N88-Q90 PolarHBondContact OD1-N 3.19Å; N88-Q90 VanDerWaalsContact OD1-N 3.11Å; Q90-A92 VanDerWaalsContact C-N 3.29Å; Q90-A92 PolarHBondContact O-N 3.08Å; Q90-Y93 WeakPolarHBondContact O-CB 3.06Å; Q90-Y93 PolarHBondContact O-N 3.21Å; Q90-E94 WeakPolarHBondContact O-CG 3.28Å; Q90-E94 PolarHBondContact O-N 3.17Å
91V94.6Very high92.1Very high36 Ų3656.2 Ų56.222%0.21831%0.314CS..Hα-helixtrans-63.8-37.9174.2174.60000110.7Y72 N88 Y93 E94 Y95Y72-V91 HydrophobicContact CE1-CG1 4.42Å; N88-V91 HydrophobicContact CB-CB 4.08Å; N88-V91 HydrophobicContact CB-CG2 4.15Å; N88-V91 VanDerWaalsContact CG-CG2 3.49Å; N88-V91 WeakPolarHBondContact ND2-CG2 3.24Å; N88-V91 PolarHBondContact O-N 3.26Å; N88-V91 PolarHBondContact OD1-N 3.36Å; V91-Y93 VanDerWaalsContact C-N 3.34Å; V91-Y93 PolarHBondContact O-N 2.88Å; V91-E94 PolarHBondContact O-N 2.95Å; V91-Y95 HydrophobicContact CG1-CD2 3.97Å; V91-Y95 HydrophobicContact CG1-CE2 4.06Å; V91-Y95 WeakPolarHBondContact O-CD2 3.46Å; V91-Y95 PolarHBondContact O-N 3.42Å
92A95.8Very high92.7Very high0 Ų058.9 Ų58.90%033%0.325CS..Hα-helixtrans-59.7-46.3174.900000111.8G73 F77 N88 P89 Q90 E94 Y95 Y96G73-A92 WeakPolarHBondContact O-CB 3.42Å; F77-A92 HydrophobicContact CB-CB 3.63Å; F77-A92 HydrophobicContact CD2-CB 4.15Å; F77-A92 HydrophobicContact CG-CB 4.4Å; N88-A92 PolarHBondContact O-N 3.02Å; P89-A92 WeakPolarHBondContact O-CB 3.42Å; P89-A92 PolarHBondContact O-N 3.24Å; Q90-A92 VanDerWaalsContact C-N 3.29Å; Q90-A92 PolarHBondContact O-N 3.08Å; A92-E94 PolarHBondContact O-N 3.46Å; A92-Y95 PolarHBondContact O-N 3.42Å; A92-Y96 HydrophobicContact CB-CD2 4.36Å; A92-Y96 HydrophobicContact CB-CE2 3.84Å; A92-Y96 WeakPolarHBondContact O-CD2 3.3Å; A92-Y96 PolarHBondContact O-N 3.07Å
93Y95.7Very high93.3Very high19 Ų1957.6 Ų57.68%0.07532%0.323CS..Hα-helixtrans-57.5-46.5176.3175.1-96.2000112P89 Q90 V91 Y95 Y96 E97 L114 L115 K130 F134P89-Y93 PolarHBondContact O-N 2.98Å; Q90-Y93 WeakPolarHBondContact O-CB 3.06Å; Q90-Y93 PolarHBondContact O-N 3.21Å; V91-Y93 VanDerWaalsContact C-N 3.34Å; V91-Y93 PolarHBondContact O-N 2.88Å; Y93-Y95 VanDerWaalsContact C-N 3.3Å; Y93-Y95 PolarHBondContact O-N 2.93Å; Y93-Y96 PolarHBondContact O-N 3.26Å; Y93-E97 HydrophobicContact CE1-CB 4.46Å; Y93-E97 WeakPolarHBondContact O-CB 3.41Å; Y93-E97 PolarHBondContact O-N 3.4Å; Y93-E97 PolarHBondContact OH-OE1 3.25Å; Y93-L114 HydrophobicContact CD2-CB 4.29Å; Y93-L114 HydrophobicContact CD2-CD1 4.13Å; Y93-L114 HydrophobicContact CG-CD1 4.44Å; Y93-L115 HydrophobicContact CD2-CD2 4.27Å; Y93-L115 HydrophobicContact CD2-CG 4.37Å; Y93-L115 HydrophobicContact CE2-CD1 3.75Å; Y93-L115 HydrophobicContact CE2-CD2 3.71Å; Y93-L115 HydrophobicContact CE2-CG 3.66Å; Y93-K130 VanDerWaalsContact OH-CE 3.3Å; Y93-K130 WeakPolarHBondContact OH-CE 3.23Å; Y93-K130 PolarHBondContact OH-NZ 2.99Å; Y93-F134 HydrophobicContact CE2-CE2 4.27Å; Y93-F134 WeakPolarHBondContact OH-CE2 3.44Å
94E97Very high94.4Very high96 Ų9652.6 Ų52.645%0.44929%0.287SS..Hα-helixtrans-56.7-42.7177.7-70.7165.6-166.700112.2Q90 V91 A92 K98Q90-E94 WeakPolarHBondContact O-CG 3.28Å; Q90-E94 PolarHBondContact O-N 3.17Å; V91-E94 PolarHBondContact O-N 2.95Å; A92-E94 PolarHBondContact O-N 3.46Å; E94-K98 WeakPolarHBondContact O-CB 3.24Å; E94-K98 PolarHBondContact O-N 3.14Å
95Y98.6Very high95.4Very high26 Ų2650 Ų5010%0.10226%0.256CS..Hα-helixtrans-77.2-33.4179.1-83.9-90.5000113.5K57 C60 D61 C69 Y72 V91 A92 Y93 G99K57-Y95 VanDerWaalsContact CE-OH 3.26Å; K57-Y95 WeakPolarHBondContact CE-OH 3.45Å; K57-Y95 HydrophobicContact CG-CE1 4.45Å; K57-Y95 PolarHBondContact NZ-OH 2.88Å; C60-Y95 HydrophobicContact CB-CD1 4.37Å; C60-Y95 HydrophobicContact CB-CE1 4.25Å; C60-Y95 VanDerWaalsContact SG-CD1 3.56Å; D61-Y95 VanDerWaalsContact OD1-CE1 3.31Å; D61-Y95 WeakPolarHBondContact OD1-CE1 3.42Å; D61-Y95 PolarHBondContact OD1-OH 3.44Å; D61-Y95 PolarHBondContact OD2-OH 3.35Å; C69-Y95 WeakPolarHBondContact CB-O 3.37Å; Y72-Y95 AromaticContact CD1-CD1 3.48Å; Y72-Y95 HydrophobicContact CD1-CD1 3.48Å; Y72-Y95 VanDerWaalsContact CD1-CD1 3.48Å; Y72-Y95 AromaticContact CD1-CD2 3.63Å; Y72-Y95 HydrophobicContact CD1-CD2 3.63Å; Y72-Y95 AromaticContact CD1-CE1 3.5Å; Y72-Y95 HydrophobicContact CD1-CE1 3.5Å; Y72-Y95 AromaticContact CD1-CE2 3.65Å; Y72-Y95 HydrophobicContact CD1-CE2 3.65Å; Y72-Y95 AromaticContact CD1-CG 3.53Å; Y72-Y95 HydrophobicContact CD1-CG 3.53Å; Y72-Y95 AromaticContact CD1-CZ 3.58Å; Y72-Y95 HydrophobicContact CE1-CD1 4.23Å; Y72-Y95 AromaticContact CE1-CD2 3.68Å; Y72-Y95 HydrophobicContact CE1-CD2 3.68Å; Y72-Y95 AromaticContact CE1-CE1 3.95Å; Y72-Y95 HydrophobicContact CE1-CE1 3.95Å; Y72-Y95 AromaticContact CE1-CE2 3.36Å; Y72-Y95 HydrophobicContact CE1-CE2 3.36Å; Y72-Y95 HydrophobicContact CE1-CG 4.1Å; Y72-Y95 AromaticContact CE1-CZ 3.5Å; Y72-Y95 VanDerWaalsContact CE1-CZ 3.5Å; Y72-Y95 HydrophobicContact CG-CD1 4.36Å; Y72-Y95 HydrophobicContact CG-CE1 4.4Å; V91-Y95 HydrophobicContact CG1-CD2 3.97Å; V91-Y95 HydrophobicContact CG1-CE2 4.06Å; V91-Y95 WeakPolarHBondContact O-CD2 3.46Å; V91-Y95 PolarHBondContact O-N 3.42Å; A92-Y95 PolarHBondContact O-N 3.42Å; Y93-Y95 VanDerWaalsContact C-N 3.3Å; Y93-Y95 PolarHBondContact O-N 2.93Å; Y95-G99 PolarHBondContact O-N 3.28Å
96Y98.5Very high96.1Very high3 Ų350.3 Ų50.31%0.01225%0.254CS..Hα-helixtrans-64.6-42.8169.8-62.9-40.1000111.1Y70 G73 N74 F77 A92 Y93 K98 G99 C100 A107 H110 S111 L114Y70-Y96 HydrophobicContact CD2-CD1 4.01Å; Y70-Y96 AromaticContact CD2-CE1 3.84Å; Y70-Y96 HydrophobicContact CD2-CE1 3.84Å; Y70-Y96 HydrophobicContact CE2-CE1 4.18Å; G73-Y96 VanDerWaalsContact C-CZ 3.45Å; G73-Y96 VanDerWaalsContact C-OH 3.31Å; G73-Y96 PolarHBondContact O-OH 2.71Å; N74-Y96 VanDerWaalsContact CA-OH 3.3Å; N74-Y96 WeakPolarHBondContact CA-OH 3.35Å; N74-Y96 PolarHBondContact N-OH 3.02Å; N74-Y96 WeakPolarHBondContact OD1-CE1 3.37Å; N74-Y96 PolarHBondContact OD1-OH 3.2Å; F77-Y96 WeakPolarHBondContact CB-OH 3.45Å; A92-Y96 HydrophobicContact CB-CD2 4.36Å; A92-Y96 HydrophobicContact CB-CE2 3.84Å; A92-Y96 WeakPolarHBondContact O-CD2 3.3Å; A92-Y96 PolarHBondContact O-N 3.07Å; Y93-Y96 PolarHBondContact O-N 3.26Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 2.88Å; Y96-G99 PolarHBondContact O-N 3.3Å; Y96-C100 WeakPolarHBondContact O-CB 3.03Å; Y96-C100 PolarHBondContact O-N 3.14Å; Y96-A107 WeakPolarHBondContact O-CB 3.49Å; Y96-H110 HydrophobicContact CD1-CB 3.95Å; Y96-H110 HydrophobicContact CD2-CB 3.76Å; Y96-H110 HydrophobicContact CE1-CB 3.97Å; Y96-H110 HydrophobicContact CE2-CB 3.79Å; Y96-H110 HydrophobicContact CG-CB 3.86Å; Y96-S111 WeakPolarHBondContact CB-OG 3.45Å; Y96-S111 PolarHBondContact O-OG 2.89Å; Y96-L114 HydrophobicContact CD2-CD1 3.58Å; Y96-L114 HydrophobicContact CD2-CG 4.47Å; Y96-L114 HydrophobicContact CE2-CD1 3.76Å; Y96-L114 HydrophobicContact CE2-CG 4.49Å
97E98.2Very high96.8Very high49 Ų4940.4 Ų40.423%0.22921%0.211CC..Hα-helixtrans-62.7-44.1177.9-177.3173.6-110.300110.3Y93 G99 C100 N101 S111 K130 F134Y93-E97 HydrophobicContact CE1-CB 4.46Å; Y93-E97 WeakPolarHBondContact O-CB 3.41Å; Y93-E97 PolarHBondContact O-N 3.4Å; Y93-E97 PolarHBondContact OH-OE1 3.25Å; E97-G99 PolarHBondContact O-N 3.26Å; E97-C100 PolarHBondContact O-N 3.14Å; E97-N101 WeakPolarHBondContact O-CB 3.36Å; E97-N101 VanDerWaalsContact O-CG 3.27Å; E97-N101 PolarHBondContact O-N 2.96Å; E97-N101 PolarHBondContact O-ND2 3.07Å; E97-S111 PolarHBondContact N-OG 3.44Å; E97-K130 VanDerWaalsContact OE1-CE 3.31Å; E97-K130 WeakPolarHBondContact OE1-CE 3.38Å; E97-K130 IonicContact OE1-NZ 2.71Å; E97-K130 PolarHBondContact OE1-NZ 3.28Å; E97-F134 HydrophobicContact CG-CE1 4.43Å; E97-F134 HydrophobicContact CG-CZ 3.88Å
98K98.5Very high97.2Very high69 Ų6939.6 Ų39.630%0.320%0.202SC..Hα-helixtrans-58.1-48.1173.2-174.3171.4173.3177.90112.2C60 D61 E94 Y96 C100 N101 L102C60-K98 WeakPolarHBondContact O-CE 3.49Å; C60-K98 PolarHBondContact O-NZ 3.21Å; C60-K98 VanDerWaalsContact SG-CE 3.56Å; D61-K98 IonicContact OD1-NZ 2.71Å; D61-K98 PolarHBondContact OD1-NZ 2.89Å; E94-K98 WeakPolarHBondContact O-CB 3.24Å; E94-K98 PolarHBondContact O-N 3.14Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 2.88Å; K98-C100 VanDerWaalsContact C-N 3.32Å; K98-C100 PolarHBondContact O-N 3.01Å; K98-N101 PolarHBondContact O-N 3.41Å; K98-L102 HydrophobicContact CG-CD1 4.39Å; K98-L102 WeakPolarHBondContact O-CD1 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.14Å; K98-L102 PolarHBondContact O-N 3.42Å
99G98.8Very high97.4Very high0 Ų036.4 Ų36.40%019%0.185CC..Hα-helixtrans-61.9-39.1175.800000112.8Y95 Y96 E97 L102 N103 D104 A107Y95-G99 PolarHBondContact O-N 3.28Å; Y96-G99 PolarHBondContact O-N 3.3Å; E97-G99 PolarHBondContact O-N 3.26Å; G99-L102 CarbonylContact O-C 3.47Å; G99-L102 WeakPolarHBondContact O-CA 3.38Å; G99-L102 WeakPolarHBondContact O-CB 3.48Å; G99-L102 PolarHBondContact O-N 2.79Å; G99-L102 VanDerWaalsContact O-N 3.13Å; G99-N103 PolarHBondContact O-N 3.05Å; G99-D104 WeakPolarHBondContact O-CB 3.37Å; G99-D104 PolarHBondContact O-N 3.04Å; G99-A107 VanDerWaalsContact C-CB 3.5Å
100C98.8Very high97.7Very high0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-67.6-38.8178.3-178.30000112.1Y96 E97 K98 L102 N103 A107 C108 F134 K137Y96-C100 WeakPolarHBondContact O-CB 3.03Å; Y96-C100 PolarHBondContact O-N 3.14Å; E97-C100 PolarHBondContact O-N 3.14Å; K98-C100 VanDerWaalsContact C-N 3.32Å; K98-C100 PolarHBondContact O-N 3.01Å; C100-L102 PolarHBondContact O-N 3.38Å; C100-N103 WeakPolarHBondContact O-CA 3.38Å; C100-N103 PolarHBondContact O-N 3.01Å; C100-A107 HydrophobicContact CB-CB 4.37Å; C100-C108 WeakPolarHBondContact CA-SG 3.45Å; C100-C108 HydrophobicContact CB-CB 3.84Å; C100-C108 WeakPolarHBondContact CB-SG 3.18Å; C100-C108 WeakPolarHBondContact SG-CA 3.47Å; C100-C108 WeakPolarHBondContact SG-CB 3.11Å; C100-C108 CovalentContact SG-SG 2.03Å; C100-C108 PolarHBondContact SG-SG 3.32Å; C100-F134 HydrophobicContact CB-CD1 4.42Å; C100-F134 WeakPolarHBondContact SG-CD1 3.43Å; C100-K137 WeakPolarHBondContact O-CE 3.29Å; C100-K137 PolarHBondContact O-NZ 3.23Å
101N98.5Very high97.9Very high101 Ų10134.7 Ų34.754%0.5418%0.175SC..Hα-helixtrans-62.8-26.7173.6-71.8-23.9000112.1E97 K98 N103E97-N101 WeakPolarHBondContact O-CB 3.36Å; E97-N101 VanDerWaalsContact O-CG 3.27Å; E97-N101 PolarHBondContact O-N 2.96Å; E97-N101 PolarHBondContact O-ND2 3.07Å; K98-N101 PolarHBondContact O-N 3.41Å; N101-N103 VanDerWaalsContact C-N 3.26Å; N101-N103 PolarHBondContact O-N 3.27Å
102L98.5Very high98Very high73 Ų7333 Ų3338%0.38217%0.165SC..THydrogen-bonded Turntrans-88.114.9171.9-61.3162.2000113.4G64 A66 K98 G99 C100 D104G64-L102 WeakPolarHBondContact O-CD1 3.49Å; A66-L102 HydrophobicContact CB-CB 3.46Å; A66-L102 VanDerWaalsContact CB-CB 3.46Å; A66-L102 HydrophobicContact CB-CD1 4.3Å; K98-L102 HydrophobicContact CG-CD1 4.39Å; K98-L102 WeakPolarHBondContact O-CD1 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.14Å; K98-L102 PolarHBondContact O-N 3.42Å; G99-L102 CarbonylContact O-C 3.47Å; G99-L102 WeakPolarHBondContact O-CA 3.38Å; G99-L102 WeakPolarHBondContact O-CB 3.48Å; G99-L102 PolarHBondContact O-N 2.79Å; G99-L102 VanDerWaalsContact O-N 3.13Å; C100-L102 PolarHBondContact O-N 3.38Å; L102-D104 VanDerWaalsContact C-N 3.33Å; L102-D104 PolarHBondContact O-N 3.13Å
103N98.4Very high97.9Very high96 Ų9634.5 Ų34.551%0.51317%0.173SC..THydrogen-bonded Turntrans61.729.4178.2-58.7-38.1000115.2G99 C100 N101 S105 K137 L141G99-N103 PolarHBondContact O-N 3.05Å; C100-N103 WeakPolarHBondContact O-CA 3.38Å; C100-N103 PolarHBondContact O-N 3.01Å; N101-N103 VanDerWaalsContact C-N 3.26Å; N101-N103 PolarHBondContact O-N 3.27Å; N103-S105 PolarHBondContact O-N 3.26Å; N103-K137 WeakPolarHBondContact OD1-CE 3.49Å; N103-K137 PolarHBondContact OD1-NZ 3.05Å; N103-L141 HydrophobicContact CB-CD1 4.12Å; N103-L141 HydrophobicContact CB-CD2 4.12Å; N103-L141 WeakPolarHBondContact O-CD1 3.18Å
104D98.7Very high97.8Very high16 Ų1634 Ų349%0.08617%0.172CC..  trans-77.8119.1165.1-17386.9000110.3A66 K67 G99 L102 D106 A107 C108A66-D104 HydrophobicContact CB-CB 3.67Å; K67-D104 WeakPolarHBondContact CG-OD1 3.48Å; G99-D104 WeakPolarHBondContact O-CB 3.37Å; G99-D104 PolarHBondContact O-N 3.04Å; L102-D104 VanDerWaalsContact C-N 3.33Å; L102-D104 PolarHBondContact O-N 3.13Å; D104-D106 PolarHBondContact O-N 3.36Å; D104-D106 PolarHBondContact OD2-N 2.86Å; D104-A107 HydrophobicContact CB-CB 3.81Å; D104-A107 PolarHBondContact O-N 3.41Å; D104-A107 WeakPolarHBondContact OD2-CB 3.45Å; D104-A107 PolarHBondContact OD2-N 3.4Å; D104-C108 PolarHBondContact O-N 3.13Å; D104-C108 PolarHBondContact O-SG 3.11Å; D104-C108 VanDerWaalsContact O-SG 3.33Å
105S98.6Very high97.6Very high27 Ų2729.8 Ų29.819%0.18915%0.152CC..Hα-helixtrans-69.8-35.5-171.977.30000112.2N103 C108 L109 S138N103-S105 PolarHBondContact O-N 3.26Å; S105-C108 PolarHBondContact O-N 3.19Å; S105-L109 PolarHBondContact O-N 3.31Å; S105-S138 WeakPolarHBondContact O-CB 3.47Å; S105-S138 PolarHBondContact O-OG 2.72Å
106D98.7Very high97.2Very high59 Ų5928.7 Ų28.732%0.31615%0.148SC..Hα-helixtrans-70.5-39.7176.2-70.7-49.9000111.5Y70 D104 C108 L109 H110 N143Y70-D106 HydrophobicContact CD1-CB 3.88Å; Y70-D106 HydrophobicContact CD2-CB 4.17Å; Y70-D106 HydrophobicContact CE1-CB 3.64Å; Y70-D106 HydrophobicContact CE2-CB 3.98Å; Y70-D106 HydrophobicContact CG-CB 4.14Å; D104-D106 PolarHBondContact O-N 3.36Å; D104-D106 PolarHBondContact OD2-N 2.86Å; D106-C108 VanDerWaalsContact C-N 3.32Å; D106-C108 PolarHBondContact O-N 3.2Å; D106-L109 WeakPolarHBondContact O-CB 3.44Å; D106-L109 PolarHBondContact O-N 3.11Å; D106-H110 PolarHBondContact O-N 3.36Å; D106-H110 PolarHBondContact O-ND1 2.88Å; D106-N143 PolarHBondContact OD1-ND2 3.25Å
107A98.8Very high96.5Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-59.4-43.5172.200000111.5Y96 G99 C100 D104 H110 S111Y96-A107 WeakPolarHBondContact O-CB 3.49Å; G99-A107 VanDerWaalsContact C-CB 3.5Å; C100-A107 HydrophobicContact CB-CB 4.37Å; D104-A107 HydrophobicContact CB-CB 3.81Å; D104-A107 PolarHBondContact O-N 3.41Å; D104-A107 WeakPolarHBondContact OD2-CB 3.45Å; D104-A107 PolarHBondContact OD2-N 3.4Å; A107-H110 PolarHBondContact O-N 2.74Å; A107-S111 WeakPolarHBondContact O-CB 3.31Å; A107-S111 PolarHBondContact O-N 3.3Å; A107-S111 PolarHBondContact O-OG 2.92Å
108C98.8Very high95.3Very high0 Ų031.3 Ų31.30%016%0.163CC..Hα-helixtrans-62.9-42.6174.4-67.10000112.2C100 D104 S105 D106 H110 S111 G112C100-C108 WeakPolarHBondContact CA-SG 3.45Å; C100-C108 HydrophobicContact CB-CB 3.84Å; C100-C108 WeakPolarHBondContact CB-SG 3.18Å; C100-C108 WeakPolarHBondContact SG-CA 3.47Å; C100-C108 WeakPolarHBondContact SG-CB 3.11Å; C100-C108 CovalentContact SG-SG 2.03Å; C100-C108 PolarHBondContact SG-SG 3.32Å; D104-C108 PolarHBondContact O-N 3.13Å; D104-C108 PolarHBondContact O-SG 3.11Å; D104-C108 VanDerWaalsContact O-SG 3.33Å; S105-C108 PolarHBondContact O-N 3.19Å; D106-C108 VanDerWaalsContact C-N 3.32Å; D106-C108 PolarHBondContact O-N 3.2Å; C108-H110 PolarHBondContact O-N 3.39Å; C108-S111 PolarHBondContact O-N 2.93Å; C108-G112 PolarHBondContact O-N 3.45Å
109L98.5Very high94.1Very high10 Ų1032.9 Ų32.95%0.05218%0.182CC..Hα-helixtrans-56.5-51.6175.8169.866.1000110.5S105 D106 G112 L113 L135 S138 T145 A146 Y149S105-L109 PolarHBondContact O-N 3.31Å; D106-L109 WeakPolarHBondContact O-CB 3.44Å; D106-L109 PolarHBondContact O-N 3.11Å; L109-G112 PolarHBondContact O-N 3.38Å; L109-L113 HydrophobicContact CD1-CD1 3.78Å; L109-L113 HydrophobicContact CD1-CG 3.96Å; L109-L113 HydrophobicContact CG-CD1 4.03Å; L109-L113 HydrophobicContact CG-CG 4.46Å; L109-L113 WeakPolarHBondContact O-CB 3.34Å; L109-L113 VanDerWaalsContact O-CG 3.32Å; L109-L113 WeakPolarHBondContact O-CG 3.2Å; L109-L113 PolarHBondContact O-N 3.33Å; L109-L135 HydrophobicContact CD1-CD2 3.89Å; L109-S138 PolarHBondContact N-OG 3.36Å; L109-T145 HydrophobicContact CD1-CG2 4.09Å; L109-T145 HydrophobicContact CD2-CG2 3.87Å; L109-A146 HydrophobicContact CD1-CB 3.94Å; L109-Y149 HydrophobicContact CD1-CD2 4.03Å; L109-Y149 HydrophobicContact CD1-CE2 4.37Å
110H97.5Very high92.5Very high48 Ų4835 Ų3522%0.22219%0.193CC..Hα-helixtrans-69.2-38.8-176.6-69.376.6000111.8Y70 Y96 D106 A107 C108 G112 L113 L114Y70-H110 AromaticContact CE2-CE1 3.51Å; Y70-H110 AromaticContact CE2-CG 3.98Å; Y70-H110 AromaticContact CE2-ND1 3.45Å; Y70-H110 WeakPolarHBondContact CE2-ND1 3.42Å; Y70-H110 AromaticContact CZ-CE1 3.82Å; Y70-H110 PolarHBondContact OH-CE1 3.43Å; Y96-H110 HydrophobicContact CD1-CB 3.95Å; Y96-H110 HydrophobicContact CD2-CB 3.76Å; Y96-H110 HydrophobicContact CE1-CB 3.97Å; Y96-H110 HydrophobicContact CE2-CB 3.79Å; Y96-H110 HydrophobicContact CG-CB 3.86Å; D106-H110 PolarHBondContact O-N 3.36Å; D106-H110 PolarHBondContact O-ND1 2.88Å; A107-H110 PolarHBondContact O-N 2.74Å; C108-H110 PolarHBondContact O-N 3.39Å; H110-G112 VanDerWaalsContact C-N 3.32Å; H110-G112 PolarHBondContact O-N 2.69Å; H110-L113 PolarHBondContact O-N 2.82Å; H110-L114 VanDerWaalsContact O-CG 3.28Å; H110-L114 WeakPolarHBondContact O-CG 3.38Å; H110-L114 PolarHBondContact O-N 2.89Å
111S96.8Very high90.8Very high0 Ų037.4 Ų37.40%021%0.209CC..Hα-helixtrans-56.1-48.2171.6-56.10000111.4Y96 E97 A107 C108 L115Y96-S111 WeakPolarHBondContact CB-OG 3.45Å; Y96-S111 PolarHBondContact O-OG 2.89Å; E97-S111 PolarHBondContact N-OG 3.44Å; A107-S111 WeakPolarHBondContact O-CB 3.31Å; A107-S111 PolarHBondContact O-N 3.3Å; A107-S111 PolarHBondContact O-OG 2.92Å; C108-S111 PolarHBondContact O-N 2.93Å; S111-L115 WeakPolarHBondContact O-CG 3.32Å; S111-L115 PolarHBondContact O-N 2.92Å
112G96.2Very high89.3Confident0 Ų044.4 Ų44.40%023%0.227CC..Hα-helixtrans-63.9-47.3179.400000112.6C108 L109 H110 L114 L115 V116 G131C108-G112 PolarHBondContact O-N 3.45Å; L109-G112 PolarHBondContact O-N 3.38Å; H110-G112 VanDerWaalsContact C-N 3.32Å; H110-G112 PolarHBondContact O-N 2.69Å; G112-L114 VanDerWaalsContact C-N 3.35Å; G112-L114 PolarHBondContact O-N 3.29Å; G112-L115 PolarHBondContact O-N 3.31Å; G112-L115 VanDerWaalsContact O-N 3.14Å; G112-V116 WeakPolarHBondContact O-CG1 3.35Å; G112-V116 WeakPolarHBondContact O-CG2 3.37Å; G112-V116 PolarHBondContact O-N 2.84Å; G112-V116 VanDerWaalsContact O-N 3.14Å; G112-G131 WeakPolarHBondContact CA-O 3.3Å
113L94.7Very high88.2Confident33 Ų3346.7 Ų46.717%0.17324%0.236CC..Hα-helixtrans-61.3-39.8179.2-72.9-178000112.9L109 H110 L115 V116 S117 L135 Y149L109-L113 HydrophobicContact CD1-CD1 3.78Å; L109-L113 HydrophobicContact CD1-CG 3.96Å; L109-L113 HydrophobicContact CG-CD1 4.03Å; L109-L113 HydrophobicContact CG-CG 4.46Å; L109-L113 WeakPolarHBondContact O-CB 3.34Å; L109-L113 VanDerWaalsContact O-CG 3.32Å; L109-L113 WeakPolarHBondContact O-CG 3.2Å; L109-L113 PolarHBondContact O-N 3.33Å; H110-L113 PolarHBondContact O-N 2.82Å; L113-L115 PolarHBondContact O-N 3Å; L113-V116 HydrophobicContact CD2-CG2 4.32Å; L113-V116 PolarHBondContact O-N 3.28Å; L113-S117 WeakPolarHBondContact O-CB 3.14Å; L113-S117 PolarHBondContact O-N 3.34Å; L113-L135 HydrophobicContact CD2-CD2 4.3Å; L113-L135 HydrophobicContact CG-CD2 4.33Å; L113-Y149 HydrophobicContact CD1-CD2 4.34Å; L113-Y149 HydrophobicContact CD1-CE2 3.79Å; L113-Y149 HydrophobicContact CD2-CD1 3.97Å; L113-Y149 HydrophobicContact CD2-CD2 3.76Å; L113-Y149 HydrophobicContact CD2-CE1 3.98Å; L113-Y149 HydrophobicContact CD2-CE2 3.77Å; L113-Y149 HydrophobicContact CD2-CG 3.87Å; L113-Y149 HydrophobicContact CG-CD2 4.49Å; L113-Y149 HydrophobicContact CG-CE2 4.35Å
114L92.8Very high87.3Confident9 Ų943 Ų435%0.04722%0.216CC..Hα-helixtrans-59.8-35.5175.8-73.5-175.9000112.5F77 Y93 Y96 H110 G112 M120 I124F77-L114 HydrophobicContact CD2-CD2 4.32Å; F77-L114 HydrophobicContact CE2-CD2 3.89Å; Y93-L114 HydrophobicContact CD2-CB 4.29Å; Y93-L114 HydrophobicContact CD2-CD1 4.13Å; Y93-L114 HydrophobicContact CG-CD1 4.44Å; Y96-L114 HydrophobicContact CD2-CD1 3.58Å; Y96-L114 HydrophobicContact CD2-CG 4.47Å; Y96-L114 HydrophobicContact CE2-CD1 3.76Å; Y96-L114 HydrophobicContact CE2-CG 4.49Å; H110-L114 VanDerWaalsContact O-CG 3.28Å; H110-L114 WeakPolarHBondContact O-CG 3.38Å; H110-L114 PolarHBondContact O-N 2.89Å; G112-L114 VanDerWaalsContact C-N 3.35Å; G112-L114 PolarHBondContact O-N 3.29Å; L114-M120 HydrophobicContact CD2-CE 3.11Å; L114-M120 HydrophobicContact CD2-CG 4.34Å; L114-M120 HydrophobicContact CD2-SD 4.21Å; L114-I124 HydrophobicContact CB-CD1 4.01Å; L114-I124 HydrophobicContact CD1-CD1 3.74Å; L114-I124 HydrophobicContact CD2-CD1 4.03Å; L114-I124 HydrophobicContact CG-CD1 4.15Å
115L92.6Very high86.5Confident7 Ų748.9 Ų48.94%0.03725%0.248CC..Hα-helixtrans-85.3-20-177.6-64.7-178.6000114.2Y93 S111 G112 L113 I124 N127 K130 F134Y93-L115 HydrophobicContact CD2-CD2 4.27Å; Y93-L115 HydrophobicContact CD2-CG 4.37Å; Y93-L115 HydrophobicContact CE2-CD1 3.75Å; Y93-L115 HydrophobicContact CE2-CD2 3.71Å; Y93-L115 HydrophobicContact CE2-CG 3.66Å; S111-L115 WeakPolarHBondContact O-CG 3.32Å; S111-L115 PolarHBondContact O-N 2.92Å; G112-L115 PolarHBondContact O-N 3.31Å; G112-L115 VanDerWaalsContact O-N 3.14Å; L113-L115 PolarHBondContact O-N 3Å; L115-I124 HydrophobicContact CD2-CG2 3.88Å; L115-N127 HydrophobicContact CD2-CB 4.31Å; L115-N127 CarbonylContact O-C 3.6Å; L115-N127 PolarHBondContact O-N 3.39Å; L115-N127 VanDerWaalsContact O-N 3.09Å; L115-K130 HydrophobicContact CD1-CB 3.92Å; L115-K130 HydrophobicContact CD1-CD 3.95Å; L115-K130 HydrophobicContact CD1-CG 3.8Å; L115-F134 HydrophobicContact CD1-CD2 3.89Å; L115-F134 HydrophobicContact CD1-CE2 3.82Å
116V90.5Very high85.8Confident2 Ų251.8 Ų51.81%0.01226%0.255CS..Hα-helixtrans-103.8-26.1-179.2-550000113.6G112 L113 W126 L135 M153 V167G112-V116 WeakPolarHBondContact O-CG1 3.35Å; G112-V116 WeakPolarHBondContact O-CG2 3.37Å; G112-V116 PolarHBondContact O-N 2.84Å; G112-V116 VanDerWaalsContact O-N 3.14Å; L113-V116 HydrophobicContact CD2-CG2 4.32Å; L113-V116 PolarHBondContact O-N 3.28Å; V116-W126 PolarHBondContact O-NE1 2.96Å; V116-L135 HydrophobicContact CG1-CD1 4.35Å; V116-L135 HydrophobicContact CG2-CD1 4.24Å; V116-M153 HydrophobicContact CB-CE 4.13Å; V116-M153 HydrophobicContact CG1-CE 3.78Å; V116-V167 HydrophobicContact CB-CG2 4.26Å; V116-V167 HydrophobicContact CG2-CG2 4.08Å
117S85Confident85.4Confident31 Ų3152.1 Ų52.122%0.21726%0.256CS..  trans-81.6121.2-175.11770000111.4L113 S119 M120L113-S117 WeakPolarHBondContact O-CB 3.14Å; L113-S117 PolarHBondContact O-N 3.34Å; S117-S119 VanDerWaalsContact C-N 3.32Å; S117-M120 WeakPolarHBondContact O-CB 3.15Å; S117-M120 VanDerWaalsContact O-CG 3.32Å; S117-M120 WeakPolarHBondContact O-CG 3.38Å
118K72.9Confident85.1Confident76 Ų7652.2 Ų52.233%0.3326%0.257SS..THydrogen-bonded Turntrans-77.4-18177.8-63.2-166.9175.5-159.70113.9M120 A162K118-M120 PolarHBondContact O-N 2.76Å; K118-A162 WeakPolarHBondContact CE-O 3.45Å; K118-A162 PolarHBondContact NZ-O 3.47Å
119S72.4Confident84.8Confident102 Ų10256 Ų5671%0.71328%0.281SS*.THydrogen-bonded Turntrans-75.8-0.7176.3-52.90000112.4S117S117-S119 VanDerWaalsContact C-N 3.32Å
120M65.3Low84.7Confident46 Ų4658.9 Ų58.923%0.22729%0.293CS..SBendtrans-80.6156.9-177.7-61.5-53.4-54.700112F77 L114 S117 K118F77-M120 HydrophobicContact CD2-CE 4.48Å; F77-M120 HydrophobicContact CE2-CE 3.22Å; F77-M120 HydrophobicContact CZ-CE 3.27Å; L114-M120 HydrophobicContact CD2-CE 3.11Å; L114-M120 HydrophobicContact CD2-CG 4.34Å; L114-M120 HydrophobicContact CD2-SD 4.21Å; S117-M120 WeakPolarHBondContact O-CB 3.15Å; S117-M120 VanDerWaalsContact O-CG 3.32Å; S117-M120 WeakPolarHBondContact O-CG 3.38Å; K118-M120 PolarHBondContact O-N 2.76Å
121P63.9Low84.6Confident50 Ų5056.6 Ų56.633%0.32528%0.283SS..  trans-58.2145.5-178.1-26.338.6000112.4P89 E123 I124P89-P121 HydrophobicContact CB-CB 4.38Å; P89-P121 HydrophobicContact CB-CG 4.26Å; P89-P121 HydrophobicContact CG-CB 3.75Å; P89-P121 HydrophobicContact CG-CG 3.55Å; P121-E123 WeakPolarHBondContact CA-OE2 3.34Å; P121-E123 WeakPolarHBondContact CB-OE2 3.02Å; P121-E123 PolarHBondContact O-N 3.41Å; P121-I124 PolarHBondContact O-N 2.94Å
122R66.1Low84.6Confident247 Ų24758 Ų5893%0.93229%0.29SS*.THydrogen-bonded Turntrans-59.2-13.1-173.2-78.3-171.8-79.3-104.60.9114.4I124R122-I124 VanDerWaalsContact C-N 3.32Å
123E75.4Confident84.6Confident122 Ų12264.3 Ų64.357%0.5732%0.32SS*.THydrogen-bonded Turntrans-74.2-17.8-176.4-61.583.4172.700113.7P121P121-E123 WeakPolarHBondContact CA-OE2 3.34Å; P121-E123 WeakPolarHBondContact CB-OE2 3.02Å; P121-E123 PolarHBondContact O-N 3.41Å
124I79.9Confident84.8Confident18 Ų1863.3 Ų63.39%0.09231%0.314CS..SBendtrans-103.6125.4177.5-59-174.6000110P89 L114 L115 P121 R122 W126P89-I124 HydrophobicContact CB-CD1 3.83Å; P89-I124 HydrophobicContact CB-CG1 4.12Å; P89-I124 WeakPolarHBondContact O-CD1 3.37Å; L114-I124 HydrophobicContact CB-CD1 4.01Å; L114-I124 HydrophobicContact CD1-CD1 3.74Å; L114-I124 HydrophobicContact CD2-CD1 4.03Å; L114-I124 HydrophobicContact CG-CD1 4.15Å; L115-I124 HydrophobicContact CD2-CG2 3.88Å; P121-I124 PolarHBondContact O-N 2.94Å; R122-I124 VanDerWaalsContact C-N 3.32Å; I124-W126 PolarHBondContact O-N 3.21Å
125D81.6Confident85.1Confident140 Ų14062.9 Ų62.975%0.74931%0.312SS*.  trans-66.1122.6174.2-71-38000111N127D125-N127 PolarHBondContact O-N 2.66Å; D125-N127 VanDerWaalsContact O-N 3.11Å
126W83.6Confident85.4Confident88 Ų8864.9 Ų64.933%0.33332%0.324SS..  trans-63.6113.1174.6-172.262.7000110.3V116 I124 V128 V158 Q159 I191V116-W126 PolarHBondContact O-NE1 2.96Å; I124-W126 PolarHBondContact O-N 3.21Å; W126-V128 HydrophobicContact CD2-CG2 3.94Å; W126-V128 HydrophobicContact CE3-CG2 4.5Å; W126-V128 HydrophobicContact CH2-CG2 3.83Å; W126-V128 HydrophobicContact CZ2-CG2 3.16Å; W126-V128 HydrophobicContact CZ3-CG2 4.45Å; W126-V158 HydrophobicContact CZ2-CG1 4.07Å; W126-Q159 WeakPolarHBondContact CH2-O 3.34Å; W126-I191 HydrophobicContact CH2-CD1 3.46Å; W126-I191 VanDerWaalsContact CH2-CD1 3.46Å; W126-I191 HydrophobicContact CZ2-CD1 4.26Å; W126-I191 HydrophobicContact CZ3-CD1 3.75Å
127N91.4Very high85.8Confident66 Ų6667.7 Ų67.735%0.35334%0.336SS..  trans-134.480.4-178.7-172.4-22.4000110.1L115 D125 P129 K130 G131L115-N127 HydrophobicContact CD2-CB 4.31Å; L115-N127 CarbonylContact O-C 3.6Å; L115-N127 PolarHBondContact O-N 3.39Å; L115-N127 VanDerWaalsContact O-N 3.09Å; D125-N127 PolarHBondContact O-N 2.66Å; D125-N127 VanDerWaalsContact O-N 3.11Å; N127-P129 WeakPolarHBondContact OD1-CD 3.01Å; N127-K130 HydrophobicContact CB-CB 4.3Å; N127-K130 PolarHBondContact O-N 3.35Å; N127-K130 WeakPolarHBondContact OD1-CB 3.36Å; N127-K130 PolarHBondContact OD1-N 2.83Å; N127-K130 VanDerWaalsContact OD1-N 3.13Å; N127-G131 PolarHBondContact O-N 2.88Å
128V91.5Very high86.4Confident1 Ų166.2 Ų66.21%0.00633%0.326CS..Hα-helixtrans-58-45.3-177.3173.30000113.4W126 K130 G131 L132 M153 V158 I191 V192W126-V128 HydrophobicContact CD2-CG2 3.94Å; W126-V128 HydrophobicContact CE3-CG2 4.5Å; W126-V128 HydrophobicContact CH2-CG2 3.83Å; W126-V128 HydrophobicContact CZ2-CG2 3.16Å; W126-V128 HydrophobicContact CZ3-CG2 4.45Å; V128-K130 VanDerWaalsContact C-N 3.35Å; V128-K130 PolarHBondContact O-N 3.41Å; V128-G131 PolarHBondContact O-N 3.15Å; V128-L132 HydrophobicContact CG1-CD1 3.94Å; V128-L132 HydrophobicContact CG1-CG 4.24Å; V128-L132 WeakPolarHBondContact O-CG 3.47Å; V128-L132 PolarHBondContact O-N 3.48Å; V128-M153 HydrophobicContact CG1-CE 4.18Å; V128-V158 HydrophobicContact CG1-CB 4.4Å; V128-V158 HydrophobicContact CG1-CG1 3.98Å; V128-V158 HydrophobicContact CG2-CG1 3.99Å; V128-I191 HydrophobicContact CB-CD1 3.92Å; V128-I191 HydrophobicContact CB-CG2 3.93Å; V128-I191 HydrophobicContact CG1-CB 4.17Å; V128-I191 HydrophobicContact CG1-CD1 4.41Å; V128-I191 HydrophobicContact CG1-CG2 3.64Å; V128-I191 HydrophobicContact CG2-CD1 3.96Å; V128-V192 HydrophobicContact CG1-CG2 4.08Å
129P93.5Very high87.7Confident79 Ų7962.6 Ų62.651%0.51331%0.31SS..Hα-helixtrans-56.6-46.2178.4-27.536.6000113.1N127 L132 E133 I191N127-P129 WeakPolarHBondContact OD1-CD 3.01Å; P129-L132 PolarHBondContact O-N 3.44Å; P129-E133 PolarHBondContact O-N 2.85Å; P129-I191 HydrophobicContact CG-CG2 4Å
130K94.7Very high88.9Confident71 Ų7162.3 Ų62.331%0.30930%0.301SS..Hα-helixtrans-68.7-37.9176.7-170.6178.7-175.6-172.10111.8Y93 E97 L115 N127 V128 L132 E133 F134Y93-K130 VanDerWaalsContact OH-CE 3.3Å; Y93-K130 WeakPolarHBondContact OH-CE 3.23Å; Y93-K130 PolarHBondContact OH-NZ 2.99Å; E97-K130 VanDerWaalsContact OE1-CE 3.31Å; E97-K130 WeakPolarHBondContact OE1-CE 3.38Å; E97-K130 IonicContact OE1-NZ 2.71Å; E97-K130 PolarHBondContact OE1-NZ 3.28Å; L115-K130 HydrophobicContact CD1-CB 3.92Å; L115-K130 HydrophobicContact CD1-CD 3.95Å; L115-K130 HydrophobicContact CD1-CG 3.8Å; N127-K130 HydrophobicContact CB-CB 4.3Å; N127-K130 PolarHBondContact O-N 3.35Å; N127-K130 WeakPolarHBondContact OD1-CB 3.36Å; N127-K130 PolarHBondContact OD1-N 2.83Å; N127-K130 VanDerWaalsContact OD1-N 3.13Å; V128-K130 VanDerWaalsContact C-N 3.35Å; V128-K130 PolarHBondContact O-N 3.41Å; K130-L132 VanDerWaalsContact C-N 3.31Å; K130-L132 PolarHBondContact O-N 3.32Å; K130-E133 WeakPolarHBondContact O-CB 3.33Å; K130-E133 PolarHBondContact O-N 3.37Å; K130-F134 HydrophobicContact CD-CE2 4.16Å; K130-F134 HydrophobicContact CG-CD2 4.3Å; K130-F134 HydrophobicContact CG-CE2 3.81Å; K130-F134 HydrophobicContact CG-CZ 4.41Å; K130-F134 WeakPolarHBondContact O-CD2 3.46Å; K130-F134 PolarHBondContact O-N 3.37Å; K130-F134 VanDerWaalsContact O-N 3.13Å
131G95.6Very high90.5Very high0 Ų063 Ų630%031%0.305CS..Hα-helixtrans-60.4-39.5174.800000113.2G112 N127 V128 F134 L135G112-G131 WeakPolarHBondContact CA-O 3.3Å; N127-G131 PolarHBondContact O-N 2.88Å; V128-G131 PolarHBondContact O-N 3.15Å; G131-F134 PolarHBondContact O-N 2.03Å; G131-L135 WeakPolarHBondContact O-CG 3.35Å; G131-L135 PolarHBondContact O-N 2.97Å
132L96.5Very high92.2Very high30 Ų3065.6 Ų65.616%0.15732%0.316CS..Hα-helixtrans-65.5-37.3173.9-72.8164.9000112.9V128 P129 K130 L135 T136 L150 M153 V192V128-L132 HydrophobicContact CG1-CD1 3.94Å; V128-L132 HydrophobicContact CG1-CG 4.24Å; V128-L132 WeakPolarHBondContact O-CG 3.47Å; V128-L132 PolarHBondContact O-N 3.48Å; P129-L132 PolarHBondContact O-N 3.44Å; K130-L132 VanDerWaalsContact C-N 3.31Å; K130-L132 PolarHBondContact O-N 3.32Å; L132-L135 PolarHBondContact O-N 3.27Å; L132-T136 VanDerWaalsContact O-CB 3.24Å; L132-T136 WeakPolarHBondContact O-CB 3.29Å; L132-T136 PolarHBondContact O-N 3.42Å; L132-T136 PolarHBondContact O-OG1 3.35Å; L132-L150 HydrophobicContact CD2-CD2 3.86Å; L132-M153 HydrophobicContact CD2-CE 3.34Å; L132-M153 HydrophobicContact CD2-SD 3.64Å; L132-M153 HydrophobicContact CG-CE 3.92Å; L132-V192 HydrophobicContact CD1-CG2 3.24Å; L132-V192 HydrophobicContact CD2-CG2 4.11Å; L132-V192 HydrophobicContact CG-CG2 4.18Å
133E97.8Very high93.7Very high133 Ų13354.4 Ų54.462%0.62128%0.275SS*.Hα-helixtrans-59.6-48.6174.6-171.7-174158.100110.3P129 K130 T136 K137P129-E133 PolarHBondContact O-N 2.85Å; K130-E133 WeakPolarHBondContact O-CB 3.33Å; K130-E133 PolarHBondContact O-N 3.37Å; E133-T136 PolarHBondContact O-N 2.69Å; E133-K137 WeakPolarHBondContact O-CB 3.46Å; E133-K137 PolarHBondContact O-N 2.98Å
134F98.5Very high94.8Very high11 Ų1149.3 Ų49.35%0.04825%0.254CS..Hα-helixtrans-65-42176.7-69.2-48.2000113.5Y93 E97 C100 L115 K130 G131 T136 K137 S138Y93-F134 HydrophobicContact CE2-CE2 4.27Å; Y93-F134 WeakPolarHBondContact OH-CE2 3.44Å; E97-F134 HydrophobicContact CG-CE1 4.43Å; E97-F134 HydrophobicContact CG-CZ 3.88Å; C100-F134 HydrophobicContact CB-CD1 4.42Å; C100-F134 WeakPolarHBondContact SG-CD1 3.43Å; L115-F134 HydrophobicContact CD1-CD2 3.89Å; L115-F134 HydrophobicContact CD1-CE2 3.82Å; K130-F134 HydrophobicContact CD-CE2 4.16Å; K130-F134 HydrophobicContact CG-CD2 4.3Å; K130-F134 HydrophobicContact CG-CE2 3.81Å; K130-F134 HydrophobicContact CG-CZ 4.41Å; K130-F134 WeakPolarHBondContact O-CD2 3.46Å; K130-F134 PolarHBondContact O-N 3.37Å; K130-F134 VanDerWaalsContact O-N 3.13Å; G131-F134 PolarHBondContact O-N 2.03Å; F134-T136 VanDerWaalsContact C-N 3.34Å; F134-K137 PolarHBondContact O-N 3.02Å; F134-S138 VanDerWaalsContact O-CB 3.31Å; F134-S138 WeakPolarHBondContact O-CB 3.41Å; F134-S138 PolarHBondContact O-N 3.48Å
135L98.6Very high95.7Very high0 Ų051 Ų510%027%0.265CS..Hα-helixtrans-64.4-40175.9-71.3174000111.4L109 L113 V116 G131 L132 S138 C139 A146 L150 M153L109-L135 HydrophobicContact CD1-CD2 3.89Å; L113-L135 HydrophobicContact CD2-CD2 4.3Å; L113-L135 HydrophobicContact CG-CD2 4.33Å; V116-L135 HydrophobicContact CG1-CD1 4.35Å; V116-L135 HydrophobicContact CG2-CD1 4.24Å; G131-L135 WeakPolarHBondContact O-CG 3.35Å; G131-L135 PolarHBondContact O-N 2.97Å; L132-L135 PolarHBondContact O-N 3.27Å; L135-S138 PolarHBondContact O-N 3.49Å; L135-C139 WeakPolarHBondContact O-CB 3.24Å; L135-C139 PolarHBondContact O-N 2.98Å; L135-A146 HydrophobicContact CD2-CB 4.3Å; L135-L150 HydrophobicContact CB-CD1 4.38Å; L135-L150 HydrophobicContact CB-CD2 3.73Å; L135-L150 HydrophobicContact CB-CG 3.96Å; L135-L150 HydrophobicContact CD1-CD2 4.49Å; L135-M153 HydrophobicContact CD1-SD 3.72Å
136T98.6Very high96.5Very high49 Ų4944.4 Ų44.430%0.30123%0.23SC..Hα-helixtrans-62.6-49.4176-57.40000110L132 E133 F134 S138 C139 D140L132-T136 VanDerWaalsContact O-CB 3.24Å; L132-T136 WeakPolarHBondContact O-CB 3.29Å; L132-T136 PolarHBondContact O-N 3.42Å; L132-T136 PolarHBondContact O-OG1 3.35Å; E133-T136 PolarHBondContact O-N 2.69Å; F134-T136 VanDerWaalsContact C-N 3.34Å; T136-S138 VanDerWaalsContact C-N 3.33Å; T136-S138 PolarHBondContact O-N 2.96Å; T136-C139 WeakPolarHBondContact O-CB 3.32Å; T136-C139 PolarHBondContact O-N 2.93Å; T136-C139 VanDerWaalsContact O-N 3.15Å; T136-D140 PolarHBondContact O-N 2.98Å
137K98.7Very high97.2Very high61 Ų6140.2 Ų40.227%0.26521%0.214SC..Hα-helixtrans-57.3-44.8174.8-173.9175.1-179.4-174.70112.2C100 N103 E133 F134 C139 D140 L141C100-K137 WeakPolarHBondContact O-CE 3.29Å; C100-K137 PolarHBondContact O-NZ 3.23Å; N103-K137 WeakPolarHBondContact OD1-CE 3.49Å; N103-K137 PolarHBondContact OD1-NZ 3.05Å; E133-K137 WeakPolarHBondContact O-CB 3.46Å; E133-K137 PolarHBondContact O-N 2.98Å; F134-K137 PolarHBondContact O-N 3.02Å; K137-C139 PolarHBondContact O-N 3.49Å; K137-D140 PolarHBondContact O-N 3.38Å; K137-L141 HydrophobicContact CG-CD1 4.17Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.46Å; K137-L141 PolarHBondContact O-N 3.42Å
138S98.8Very high97.5Very high0 Ų037.9 Ų37.90%020%0.201CC..Hα-helixtrans-60.3-44.2176.5-175.40000111.9S105 L109 F134 L135 T136 L141 N142 N143 A146S105-S138 WeakPolarHBondContact O-CB 3.47Å; S105-S138 PolarHBondContact O-OG 2.72Å; L109-S138 PolarHBondContact N-OG 3.36Å; F134-S138 VanDerWaalsContact O-CB 3.31Å; F134-S138 WeakPolarHBondContact O-CB 3.41Å; F134-S138 PolarHBondContact O-N 3.48Å; L135-S138 PolarHBondContact O-N 3.49Å; T136-S138 VanDerWaalsContact C-N 3.33Å; T136-S138 PolarHBondContact O-N 2.96Å; S138-L141 CarbonylContact O-C 3.53Å; S138-L141 PolarHBondContact O-N 3.47Å; S138-N142 PolarHBondContact O-N 3.36Å; S138-N143 WeakPolarHBondContact O-CB 3.31Å; S138-N143 PolarHBondContact O-N 2.86Å; S138-N143 WeakPolarHBondContact OG-CB 3.17Å; S138-A146 VanDerWaalsContact CB-CB 3.44Å; S138-A146 VanDerWaalsContact OG-CB 3.24Å; S138-A146 WeakPolarHBondContact OG-CB 3.49Å
139C98.8Very high97.8Very high0 Ų040.7 Ų40.70%021%0.212CC..Hα-helixtrans-64.7-37.7175.7178.40000112.2L135 T136 K137 L141 N142 A146 C147 L150 K205L135-C139 WeakPolarHBondContact O-CB 3.24Å; L135-C139 PolarHBondContact O-N 2.98Å; T136-C139 WeakPolarHBondContact O-CB 3.32Å; T136-C139 PolarHBondContact O-N 2.93Å; T136-C139 VanDerWaalsContact O-N 3.15Å; K137-C139 PolarHBondContact O-N 3.49Å; C139-L141 VanDerWaalsContact C-N 3.28Å; C139-L141 PolarHBondContact O-N 2.93Å; C139-N142 WeakPolarHBondContact O-CA 3.46Å; C139-N142 PolarHBondContact O-N 3.19Å; C139-A146 HydrophobicContact CB-CB 4.26Å; C139-C147 WeakPolarHBondContact CA-SG 3.02Å; C139-C147 HydrophobicContact CB-CB 4.01Å; C139-C147 WeakPolarHBondContact CB-SG 3.28Å; C139-C147 WeakPolarHBondContact SG-CA 3.36Å; C139-C147 WeakPolarHBondContact SG-CB 3.41Å; C139-C147 CovalentContact SG-SG 2.03Å; C139-C147 PolarHBondContact SG-SG 2.97Å; C139-L150 HydrophobicContact CB-CD1 3.74Å; C139-K205 WeakPolarHBondContact O-CE 3.37Å; C139-K205 PolarHBondContact O-NZ 3.48Å
140D98.6Very high98Very high97 Ų9737 Ų3752%0.51919%0.188SC..Hα-helixtrans-68.6-27.7174.8-69-21.3000113T136 K137 N142 K205T136-D140 PolarHBondContact O-N 2.98Å; K137-D140 PolarHBondContact O-N 3.38Å; D140-N142 PolarHBondContact O-N 3.25Å; D140-K205 IonicContact OD1-NZ 2.88Å; D140-K205 PolarHBondContact OD1-NZ 2.8Å
141L98.6Very high98.2Very high60 Ų6033.6 Ų33.631%0.31417%0.173SC..THydrogen-bonded Turntrans-82.621.7167.1-62.6168.3000113.1N103 K137 S138 C139 N143N103-L141 HydrophobicContact CB-CD1 4.12Å; N103-L141 HydrophobicContact CB-CD2 4.12Å; N103-L141 WeakPolarHBondContact O-CD1 3.18Å; K137-L141 HydrophobicContact CG-CD1 4.17Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.46Å; K137-L141 PolarHBondContact O-N 3.42Å; S138-L141 CarbonylContact O-C 3.53Å; S138-L141 PolarHBondContact O-N 3.47Å; C139-L141 VanDerWaalsContact C-N 3.28Å; C139-L141 PolarHBondContact O-N 2.93Å; L141-N143 VanDerWaalsContact C-N 3.31Å; L141-N143 PolarHBondContact O-N 3.32Å
142N98.5Very high98.2Very high105 Ų10534.1 Ų34.156%0.56118%0.178SC*.THydrogen-bonded Turntrans61.128.5176.4-64.6-40.3000115.3S138 C139 D140 A144 L209S138-N142 PolarHBondContact O-N 3.36Å; C139-N142 WeakPolarHBondContact O-CA 3.46Å; C139-N142 PolarHBondContact O-N 3.19Å; D140-N142 PolarHBondContact O-N 3.25Å; N142-A144 PolarHBondContact O-N 3.2Å; N142-L209 HydrophobicContact CB-CD1 4.22Å; N142-L209 HydrophobicContact CB-CD2 3.76Å
143N98.6Very high98.1Very high11 Ų1132.9 Ų32.96%0.05917%0.171CC..  trans-79.1106.2169-166-65.8000110.5D106 S138 L141 T145 A146 C147D106-N143 PolarHBondContact OD1-ND2 3.25Å; S138-N143 WeakPolarHBondContact O-CB 3.31Å; S138-N143 PolarHBondContact O-N 2.86Å; S138-N143 WeakPolarHBondContact OG-CB 3.17Å; L141-N143 VanDerWaalsContact C-N 3.31Å; L141-N143 PolarHBondContact O-N 3.32Å; N143-T145 PolarHBondContact O-N 3.18Å; N143-T145 WeakPolarHBondContact OD1-CB 3.47Å; N143-T145 PolarHBondContact OD1-N 2.73Å; N143-A146 HydrophobicContact CB-CB 4.06Å; N143-A146 PolarHBondContact O-N 3.24Å; N143-A146 PolarHBondContact OD1-N 3.47Å; N143-A146 VanDerWaalsContact OD1-N 3.08Å; N143-C147 PolarHBondContact O-N 3.48Å; N143-C147 PolarHBondContact O-SG 2.81Å
144A98.3Very high98.1Very high16 Ų1627.3 Ų27.313%0.13215%0.145CC..Hα-helixtrans-58.5-37.3-176.900000112.8N142 C147 F148 A206 L209 N211N142-A144 PolarHBondContact O-N 3.2Å; A144-C147 PolarHBondContact O-N 3.4Å; A144-F148 WeakPolarHBondContact O-CB 3.44Å; A144-F148 PolarHBondContact O-N 3.22Å; A144-A206 WeakPolarHBondContact O-CB 3.42Å; A144-L209 HydrophobicContact CB-CB 3.47Å; A144-L209 VanDerWaalsContact CB-CB 3.47Å; A144-L209 HydrophobicContact CB-CD1 4.44Å; A144-L209 WeakPolarHBondContact CB-O 3.18Å; A144-N211 HydrophobicContact CB-CB 3.88Å
145T98.2Very high97.9Very high54 Ų5429 Ų2933%0.33116%0.155SC..Hα-helixtrans-68.1-41.5-179.7-60.10000111.3L109 N143 F148 Y149L109-T145 HydrophobicContact CD1-CG2 4.09Å; L109-T145 HydrophobicContact CD2-CG2 3.87Å; N143-T145 PolarHBondContact O-N 3.18Å; N143-T145 WeakPolarHBondContact OD1-CB 3.47Å; N143-T145 PolarHBondContact OD1-N 2.73Å; T145-F148 WeakPolarHBondContact O-CB 3.49Å; T145-F148 PolarHBondContact O-N 2.83Å; T145-Y149 HydrophobicContact CG2-CD2 3.72Å; T145-Y149 HydrophobicContact CG2-CE2 3.44Å; T145-Y149 VanDerWaalsContact CG2-CE2 3.44Å; T145-Y149 WeakPolarHBondContact O-CD2 3.42Å; T145-Y149 PolarHBondContact O-N 3.42Å
146A98.5Very high97.6Very high0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-62.8-4517500000112.2L109 L135 S138 C139 N143 F148 Y149 L150L109-A146 HydrophobicContact CD1-CB 3.94Å; L135-A146 HydrophobicContact CD2-CB 4.3Å; S138-A146 VanDerWaalsContact CB-CB 3.44Å; S138-A146 VanDerWaalsContact OG-CB 3.24Å; S138-A146 WeakPolarHBondContact OG-CB 3.49Å; C139-A146 HydrophobicContact CB-CB 4.26Å; N143-A146 HydrophobicContact CB-CB 4.06Å; N143-A146 PolarHBondContact O-N 3.24Å; N143-A146 PolarHBondContact OD1-N 3.47Å; N143-A146 VanDerWaalsContact OD1-N 3.08Å; A146-F148 VanDerWaalsContact C-N 3.28Å; A146-F148 PolarHBondContact O-N 2.8Å; A146-Y149 PolarHBondContact O-N 3.27Å; A146-L150 WeakPolarHBondContact O-CG 3.45Å; A146-L150 PolarHBondContact O-N 2.03Å
147C98.6Very high97.3Very high0 Ų029 Ų290%016%0.157CC..Hα-helixtrans-58.6-41.7174.1-59.70000111.5C139 N143 A144 L150 S151 F202 A206C139-C147 WeakPolarHBondContact CA-SG 3.02Å; C139-C147 HydrophobicContact CB-CB 4.01Å; C139-C147 WeakPolarHBondContact CB-SG 3.28Å; C139-C147 WeakPolarHBondContact SG-CA 3.36Å; C139-C147 WeakPolarHBondContact SG-CB 3.41Å; C139-C147 CovalentContact SG-SG 2.03Å; C139-C147 PolarHBondContact SG-SG 2.97Å; N143-C147 PolarHBondContact O-N 3.48Å; N143-C147 PolarHBondContact O-SG 2.81Å; A144-C147 PolarHBondContact O-N 3.4Å; C147-L150 PolarHBondContact O-N 3.45Å; C147-S151 PolarHBondContact O-N 2.86Å; C147-F202 WeakPolarHBondContact O-CB 3.5Å; C147-A206 HydrophobicContact CB-CB 3.63Å
148F98.4Very high96.9Very high18 Ų1826.8 Ų26.88%0.07915%0.149CC..Hα-helixtrans-62.3-43.2176.1172.7-111.5000112.7A144 T145 A146 S151 G152 A169 A206 Y213 A214 N217A144-F148 WeakPolarHBondContact O-CB 3.44Å; A144-F148 PolarHBondContact O-N 3.22Å; T145-F148 WeakPolarHBondContact O-CB 3.49Å; T145-F148 PolarHBondContact O-N 2.83Å; A146-F148 VanDerWaalsContact C-N 3.28Å; A146-F148 PolarHBondContact O-N 2.8Å; F148-S151 WeakPolarHBondContact O-CB 3.49Å; F148-S151 PolarHBondContact O-N 3.12Å; F148-G152 PolarHBondContact O-N 3.45Å; F148-A169 HydrophobicContact CD1-CB 4.14Å; F148-A169 HydrophobicContact CE1-CB 3.17Å; F148-A169 HydrophobicContact CE2-CB 4.45Å; F148-A169 HydrophobicContact CZ-CB 3.38Å; F148-A206 HydrophobicContact CB-CB 4.14Å; F148-Y213 VanDerWaalsContact CE2-CB 3.46Å; F148-Y213 VanDerWaalsContact CZ-CB 3.4Å; F148-Y213 HydrophobicContact CZ-CG 4.21Å; F148-A214 HydrophobicContact CD2-CB 3.92Å; F148-N217 WeakPolarHBondContact CE2-ND2 3.42Å
149Y97.4Very high96.3Very high60 Ų6028.3 Ų28.324%0.23516%0.156CC..Hα-helixtrans-63.1-44.2174.8-81.7-67.8000112.3L109 L113 T145 A146 S151 G152 M153 V167L109-Y149 HydrophobicContact CD1-CD2 4.03Å; L109-Y149 HydrophobicContact CD1-CE2 4.37Å; L113-Y149 HydrophobicContact CD1-CD2 4.34Å; L113-Y149 HydrophobicContact CD1-CE2 3.79Å; L113-Y149 HydrophobicContact CD2-CD1 3.97Å; L113-Y149 HydrophobicContact CD2-CD2 3.76Å; L113-Y149 HydrophobicContact CD2-CE1 3.98Å; L113-Y149 HydrophobicContact CD2-CE2 3.77Å; L113-Y149 HydrophobicContact CD2-CG 3.87Å; L113-Y149 HydrophobicContact CG-CD2 4.49Å; L113-Y149 HydrophobicContact CG-CE2 4.35Å; T145-Y149 HydrophobicContact CG2-CD2 3.72Å; T145-Y149 HydrophobicContact CG2-CE2 3.44Å; T145-Y149 VanDerWaalsContact CG2-CE2 3.44Å; T145-Y149 WeakPolarHBondContact O-CD2 3.42Å; T145-Y149 PolarHBondContact O-N 3.42Å; A146-Y149 PolarHBondContact O-N 3.27Å; Y149-S151 VanDerWaalsContact C-N 3.29Å; Y149-S151 PolarHBondContact O-N 3.02Å; Y149-G152 PolarHBondContact O-N 3.19Å; Y149-G152 VanDerWaalsContact O-N 3.16Å; Y149-M153 VanDerWaalsContact O-CG 3.29Å; Y149-M153 WeakPolarHBondContact O-CG 3.39Å; Y149-M153 PolarHBondContact O-N 2.95Å; Y149-V167 HydrophobicContact CD1-CG1 3.97Å
150L98.2Very high95.5Very high1 Ų133.8 Ų33.81%0.00518%0.18CC..Hα-helixtrans-59.2-41.1175.5-71.1169.4000112L132 L135 C139 A146 C147 M153 H154 F202L132-L150 HydrophobicContact CD2-CD2 3.86Å; L135-L150 HydrophobicContact CB-CD1 4.38Å; L135-L150 HydrophobicContact CB-CD2 3.73Å; L135-L150 HydrophobicContact CB-CG 3.96Å; L135-L150 HydrophobicContact CD1-CD2 4.49Å; C139-L150 HydrophobicContact CB-CD1 3.74Å; A146-L150 WeakPolarHBondContact O-CG 3.45Å; A146-L150 PolarHBondContact O-N 2.03Å; C147-L150 PolarHBondContact O-N 3.45Å; L150-M153 PolarHBondContact O-N 3.41Å; L150-H154 PolarHBondContact O-CD2 3.33Å; L150-H154 VanDerWaalsContact O-CD2 3.28Å; L150-H154 PolarHBondContact O-N 3.41Å; L150-H154 VanDerWaalsContact O-N 3.08Å; L150-F202 HydrophobicContact CB-CB 4.35Å; L150-F202 HydrophobicContact CB-CD1 4.07Å; L150-F202 HydrophobicContact CB-CD2 3.72Å; L150-F202 HydrophobicContact CB-CE1 4.26Å; L150-F202 HydrophobicContact CB-CE2 3.88Å; L150-F202 HydrophobicContact CB-CG 3.81Å; L150-F202 HydrophobicContact CB-CZ 4.17Å; L150-F202 HydrophobicContact CD1-CD1 3.97Å; L150-F202 HydrophobicContact CD1-CE1 3.6Å; L150-F202 HydrophobicContact CD1-CE2 4.38Å; L150-F202 HydrophobicContact CD1-CZ 3.83Å; L150-F202 HydrophobicContact CG-CZ 4.48Å
151S97.9Very high94Very high0 Ų038.3 Ų38.30%020%0.195CC..Hα-helixtrans-58-52.2173.2-177.70000111C147 F148 Y149 M153 H154 I155 A199 A203C147-S151 PolarHBondContact O-N 2.86Å; F148-S151 WeakPolarHBondContact O-CB 3.49Å; F148-S151 PolarHBondContact O-N 3.12Å; Y149-S151 VanDerWaalsContact C-N 3.29Å; Y149-S151 PolarHBondContact O-N 3.02Å; S151-M153 VanDerWaalsContact C-N 3.3Å; S151-M153 PolarHBondContact O-N 3.06Å; S151-H154 CarbonylContact O-C 3.48Å; S151-H154 PolarHBondContact O-N 2.79Å; S151-I155 WeakPolarHBondContact O-CG1 3.31Å; S151-I155 PolarHBondContact O-N 3.24Å; S151-A199 WeakPolarHBondContact CB-O 3.38Å; S151-A199 PolarHBondContact OG-O 3.41Å; S151-A203 WeakPolarHBondContact OG-CB 3.24Å
152G96Very high91.9Very high11 Ų1136 Ų3611%0.11318%0.184CC..Hα-helixtrans-58.2-38.4178.200000113.8F148 Y149 H154 I155 S156F148-G152 PolarHBondContact O-N 3.45Å; Y149-G152 PolarHBondContact O-N 3.19Å; Y149-G152 VanDerWaalsContact O-N 3.16Å; G152-H154 VanDerWaalsContact C-N 3.34Å; G152-H154 PolarHBondContact O-N 3.5Å; G152-I155 PolarHBondContact O-N 2.94Å; G152-S156 PolarHBondContact O-N 3.03Å; G152-S156 PolarHBondContact O-OG 2.69Å
153M95.4Very high89.6Confident3 Ų338.5 Ų38.52%0.01520%0.198CC..Hα-helixtrans-64.8-35.4175.3-69175.38600112.3V116 V128 L132 L135 Y149 L150 S151 G157 V158 V167 V192V116-M153 HydrophobicContact CB-CE 4.13Å; V116-M153 HydrophobicContact CG1-CE 3.78Å; V128-M153 HydrophobicContact CG1-CE 4.18Å; L132-M153 HydrophobicContact CD2-CE 3.34Å; L132-M153 HydrophobicContact CD2-SD 3.64Å; L132-M153 HydrophobicContact CG-CE 3.92Å; L135-M153 HydrophobicContact CD1-SD 3.72Å; Y149-M153 VanDerWaalsContact O-CG 3.29Å; Y149-M153 WeakPolarHBondContact O-CG 3.39Å; Y149-M153 PolarHBondContact O-N 2.95Å; L150-M153 PolarHBondContact O-N 3.41Å; S151-M153 VanDerWaalsContact C-N 3.3Å; S151-M153 PolarHBondContact O-N 3.06Å; M153-G157 CarbonylContact O-C 3.38Å; M153-G157 WeakPolarHBondContact O-CA 3Å; M153-G157 PolarHBondContact O-N 2.75Å; M153-V158 HydrophobicContact CB-CG2 4.13Å; M153-V158 HydrophobicContact CE-CG2 3.62Å; M153-V158 HydrophobicContact CG-CG2 4.1Å; M153-V167 HydrophobicContact CG-CG1 3.86Å; M153-V192 HydrophobicContact CE-CG2 4.47Å
154H96.4Very high87.1Confident16 Ų1645.9 Ų45.97%0.07423%0.232CC..Hα-helixtrans-82.2-24175.6-78.4-62.8000113.8L150 S151 G152 L193 K194 D195 K198 A199 F202L150-H154 PolarHBondContact O-CD2 3.33Å; L150-H154 VanDerWaalsContact O-CD2 3.28Å; L150-H154 PolarHBondContact O-N 3.41Å; L150-H154 VanDerWaalsContact O-N 3.08Å; S151-H154 CarbonylContact O-C 3.48Å; S151-H154 PolarHBondContact O-N 2.79Å; G152-H154 VanDerWaalsContact C-N 3.34Å; G152-H154 PolarHBondContact O-N 3.5Å; H154-L193 PolarHBondContact ND1-O 3.42Å; H154-K194 CarbonylContact O-C 3.39Å; H154-K194 VanDerWaalsContact O-CA 3.27Å; H154-K194 WeakPolarHBondContact O-CA 3.42Å; H154-D195 PolarHBondContact O-N 3.06Å; H154-K198 WeakPolarHBondContact NE2-CD 3.48Å; H154-K198 WeakPolarHBondContact NE2-CE 3.35Å; H154-K198 PolarHBondContact NE2-NZ 2.93Å; H154-A199 HydrophobicContact CB-CB 3.84Å; H154-F202 AromaticContact CD2-CD2 3.81Å; H154-F202 AromaticContact CD2-CE2 3.59Å; H154-F202 AromaticContact NE2-CE2 3.82Å
155I95.6Very high84.4Confident48 Ų4847.5 Ų47.525%0.24624%0.242CC..Hα-helixtrans-67.9-49.3170.4-67.2170.9000110S151 G152 M196 A199S151-I155 WeakPolarHBondContact O-CG1 3.31Å; S151-I155 PolarHBondContact O-N 3.24Å; G152-I155 PolarHBondContact O-N 2.94Å; I155-M196 HydrophobicContact CG1-CE 4.22Å; I155-M196 HydrophobicContact CG1-SD 4.41Å; I155-M196 HydrophobicContact CG2-CE 4.42Å; I155-M196 HydrophobicContact CG2-SD 4.47Å; I155-A199 HydrophobicContact CD1-CB 4.48Å; I155-A199 HydrophobicContact CG1-CB 3.58Å
156S91.9Very high81.9Confident42 Ų4246.8 Ų46.829%0.29424%0.242SC..Hα-helixtrans-90.6-22.4-171.2-56.20000113.3G152 K194G152-S156 PolarHBondContact O-N 3.03Å; G152-S156 PolarHBondContact O-OG 2.69Å; S156-K194 WeakPolarHBondContact O-CE 3.4Å
157G91.9Very high79.3Confident6 Ų648.4 Ų48.46%0.06225%0.251CS..  trans66.8163.7-160.900000111.3M153 V192M153-G157 CarbonylContact O-C 3.38Å; M153-G157 WeakPolarHBondContact O-CA 3Å; M153-G157 PolarHBondContact O-N 2.75Å; G157-V192 CarbonylContact C-O 3.42Å; G157-V192 WeakPolarHBondContact CA-O 3.42Å
158V90.6Very high76.5Confident14 Ų1452.8 Ų52.89%0.08528%0.278CS..EExtended strand (participates in β ladder)trans-121.1114.4172.5-178.30000108.6W126 V128 M153 Y190 I191 V192W126-V158 HydrophobicContact CZ2-CG1 4.07Å; V128-V158 HydrophobicContact CG1-CB 4.4Å; V128-V158 HydrophobicContact CG1-CG1 3.98Å; V128-V158 HydrophobicContact CG2-CG1 3.99Å; M153-V158 HydrophobicContact CB-CG2 4.13Å; M153-V158 HydrophobicContact CE-CG2 3.62Å; M153-V158 HydrophobicContact CG-CG2 4.1Å; V158-Y190 CarbonylContact O-C 3.39Å; V158-Y190 WeakPolarHBondContact O-CA 3.07Å; V158-I191 PolarHBondContact O-N 2.94Å; V158-V192 HydrophobicContact CB-CB 3.89Å; V158-V192 HydrophobicContact CB-CG2 3.94Å; V158-V192 HydrophobicContact CG2-CB 3.97Å; V158-V192 HydrophobicContact CG2-CG2 3.97Å; V158-V192 PolarHBondContact N-O 3.2Å; V158-V192 PolarHBondContact O-N 2.87Å
159Q85.4Confident73.8Confident32 Ų3253.7 Ų53.715%0.1529%0.289CS..EExtended strand (participates in β ladder)trans-83.5146.2-177.9-63.6174.93500112.1W126 K161 A162 L185 D189 Y190W126-Q159 WeakPolarHBondContact CH2-O 3.34Å; Q159-K161 VanDerWaalsContact C-N 3.3Å; Q159-K161 PolarHBondContact O-N 3.46Å; Q159-A162 HydrophobicContact CB-CB 3.76Å; Q159-A162 HydrophobicContact CG-CB 4.41Å; Q159-L185 VanDerWaalsContact CD-CD1 3.45Å; Q159-L185 HydrophobicContact CG-CD1 4.42Å; Q159-D189 CarbonylContact C-O 3.57Å; Q159-D189 WeakPolarHBondContact CA-O 3.35Å; Q159-Y190 HydrophobicContact CG-CD1 3.77Å; Q159-Y190 HydrophobicContact CG-CE1 3.5Å; Q159-Y190 VanDerWaalsContact CG-CE1 3.5Å; Q159-Y190 HydrophobicContact CG-CG 4.4Å
160K82.7Confident71.3Confident115 Ų11553.3 Ų53.350%0.530%0.295SS..THydrogen-bonded Turntrans-60.8-34.7175.9-69.6174.5-178.9171.40113.2S188 D189 Y190 I191K160-S188 WeakPolarHBondContact CD-O 3.4Å; K160-S188 VanDerWaalsContact CE-O 3.29Å; K160-S188 WeakPolarHBondContact CE-O 3.42Å; K160-S188 PolarHBondContact NZ-O 3.01Å; K160-D189 PolarHBondContact N-O 3.34Å; K160-Y190 WeakPolarHBondContact CE-O 3.4Å; K160-I191 HydrophobicContact CB-CG1 4.33Å; K160-I191 HydrophobicContact CG-CD1 4.29Å; K160-I191 HydrophobicContact CG-CG1 3.5Å; K160-I191 VanDerWaalsContact CG-CG1 3.5Å
161K67Low68.6Low192 Ų19258 Ų5884%0.83533%0.328SS*.THydrogen-bonded Turntrans-123.914.6-170.8-69-168.7176.9-177.30115.4Q159 D163Q159-K161 VanDerWaalsContact C-N 3.3Å; Q159-K161 PolarHBondContact O-N 3.46Å; K161-D163 PolarHBondContact O-N 3.22Å
162A54.6Low66Low11 Ų1159.4 Ų59.49%0.09134%0.343CS..  trans-72.894.2-177.100000111.9K118 Q159 Q164K118-A162 WeakPolarHBondContact CE-O 3.45Å; K118-A162 PolarHBondContact NZ-O 3.47Å; Q159-A162 HydrophobicContact CB-CB 3.76Å; Q159-A162 HydrophobicContact CG-CB 4.41Å; A162-Q164 PolarHBondContact O-N 3.49Å
163D49.2Very low63.5Low158 Ų15863.8 Ų63.885%0.84537%0.372SS*.THydrogen-bonded Turntrans-59.55.5160.8-92.4-24.5000113.4K161K161-D163 PolarHBondContact O-N 3.22Å
164Q46.3Very low60.9Low167 Ų16766.4 Ų66.478%0.7840%0.4SS*.THydrogen-bonded Turntrans-146.916.5-171.8-62.9-1731.700117.1A162A162-Q164 PolarHBondContact O-N 3.49Å
165S42.4Very low58.3Low50 Ų5071.8 Ų71.835%0.3543%0.433SS..  trans-129.589.4167.972.10000110.3
166A44.9Very low56.3Low38 Ų3872.2 Ų72.231%0.31444%0.441SS..  trans-52.6151.416000000108.8T168A166-T168 HydrophobicContact CB-CG2 4.07Å; A166-T168 PolarHBondContact O-N 3.28Å; A166-T168 PolarHBondContact O-OG1 2.78Å
167V44.2Very low54.4Low34 Ų3474.5 Ų74.521%0.20646%0.457CS..  trans-67.954.8161.9-1630000108V116 Y149 M153 A169V116-V167 HydrophobicContact CB-CG2 4.26Å; V116-V167 HydrophobicContact CG2-CG2 4.08Å; Y149-V167 HydrophobicContact CD1-CG1 3.97Å; M153-V167 HydrophobicContact CG-CG1 3.86Å; V167-A169 PolarHBondContact O-N 3.45Å
168T41.2Very low52.3Low92 Ų9276 Ų7656%0.56447%0.465SS*.  trans-68118161.5420000104.4A166 S170A166-T168 HydrophobicContact CB-CG2 4.07Å; A166-T168 PolarHBondContact O-N 3.28Å; A166-T168 PolarHBondContact O-OG1 2.78Å; T168-S170 PolarHBondContact O-N 3.29Å; T168-S170 PolarHBondContact O-OG 2.64Å
169A41.2Very low50.5Low37 Ų3778.5 Ų78.531%0.30648%0.482SS..  trans-64.178.5166.900000108.3F148 V167 S171F148-A169 HydrophobicContact CD1-CB 4.14Å; F148-A169 HydrophobicContact CE1-CB 3.17Å; F148-A169 HydrophobicContact CE2-CB 4.45Å; F148-A169 HydrophobicContact CZ-CB 3.38Å; V167-A169 PolarHBondContact O-N 3.45Å; A169-S171 PolarHBondContact O-N 3.33Å
170S44.4Very low49.1Very low53 Ų5382.3 Ų82.337%0.37152%0.519SS..  trans-83.2107-167.648.70000109T168 G172T168-S170 PolarHBondContact O-N 3.29Å; T168-S170 PolarHBondContact O-OG 2.64Å; S170-G172 PolarHBondContact O-N 3Å
171S41Very low48.1Very low98 Ų9881 Ų8169%0.68554%0.538SS*.  trans-10.597145.645.90000114.8A169 S173A169-S171 PolarHBondContact O-N 3.33Å; S171-S173 VanDerWaalsContact C-N 3.35Å; S171-S173 PolarHBondContact O-N 2.95Å
172G43.8Very low48Very low30 Ų3077.2 Ų77.231%0.30952%0.524SS..SBendtrans57.816.2132.100000121.2S170 R224S170-G172 PolarHBondContact O-N 3Å; G172-R224 VanDerWaalsContact O-CZ 3.31Å; G172-R224 PolarHBondContact O-NH1 2.97Å; G172-R224 PolarHBondContact O-NH2 2.87Å
173S42.7Very low48.8Very low104 Ų10481.6 Ų81.673%0.72755%0.551SS**  trans-133.4117173.254.10000111.7S171S171-S173 VanDerWaalsContact C-N 3.35Å; S171-S173 PolarHBondContact O-N 2.95Å
174G42.3Very low49.9Very low58 Ų5879.4 Ų79.460%0.59855%0.545SS*.  trans-67.5170.9173.100000112.4
175T42.1Very low51.3Low128 Ų12874 Ų7479%0.78552%0.521SS*.  trans80.675.4-17874.80000114.9S177T175-S177 PolarHBondContact O-N 3.35Å
176S52.2Low53.3Low58 Ų5878.5 Ų78.541%0.40654%0.535SS..  trans-69.571147.149.70000108.9K194S176-K194 PolarHBondContact OG-NZ 3.47Å
177S52Low55.2Low89 Ų8982.4 Ų82.462%0.62255%0.55SS**PPolyproline II helixtrans-62.8130.3161.2-62.20000106.5T175T175-S177 PolarHBondContact O-N 3.35Å
178P48.6Very low57.1Low37 Ų3784.2 Ų84.224%0.2457%0.565CS.*PPolyproline II helixtrans-60.3151.5173.930-35.1000108.7A180 Q182P178-A180 PolarHBondContact O-N 2.88Å; P178-Q182 HydrophobicContact CB-CB 3.8Å; P178-Q182 HydrophobicContact CG-CB 4.19Å
179P52.3Low59.3Low67 Ų6782.7 Ų82.744%0.43555%0.553SS.*SBendtrans-49.9142179.815.8-27.7000110.6G181 Q182P179-G181 PolarHBondContact O-N 3.49Å; P179-Q182 HydrophobicContact CG-CG 4.44Å; P179-Q182 PolarHBondContact O-N 3.23Å; P179-Q182 VanDerWaalsContact O-N 3.16Å
180A55.4Low61.5Low113 Ų11382.1 Ų82.193%0.93454%0.543SS*.THydrogen-bonded Turntrans-46.8123.1-17000000111.8P178P178-A180 PolarHBondContact O-N 2.88Å
181G61.4Low63.7Low87 Ų8782.3 Ų82.390%0.89754%0.54SS*.THydrogen-bonded Turntrans103.4-4.4179.500000115.9P179P179-G181 PolarHBondContact O-N 3.49Å
182Q65.6Low66.1Low113 Ų11378 Ų7853%0.52851%0.509SS..PPolyproline II helixtrans-87.2145.4173.5-73.8-173.1-7.800112.6P178 P179P178-Q182 HydrophobicContact CB-CB 3.8Å; P178-Q182 HydrophobicContact CG-CB 4.19Å; P179-Q182 HydrophobicContact CG-CG 4.44Å; P179-Q182 PolarHBondContact O-N 3.23Å; P179-Q182 VanDerWaalsContact O-N 3.16Å
183P70.9Confident68.5Low103 Ų10380.6 Ų80.667%0.66952%0.515SS*.PPolyproline II helixtrans-56.9153.1172.9-21.231.5000111.9L185P183-L185 PolarHBondContact O-N 3.46Å
184P74Confident70.9Confident112 Ų11280.2 Ų80.273%0.72750%0.5SS*.PPolyproline II helixtrans-58.8135171.724.8-32.4000110.5
185L75.5Confident73.5Confident53 Ų5380.5 Ų80.528%0.27749%0.489SS..PPolyproline II helixtrans-69.6143.5177.4-64.6167.2000110.8Q159 P183 D189 Y190Q159-L185 VanDerWaalsContact CD-CD1 3.45Å; Q159-L185 HydrophobicContact CG-CD1 4.42Å; P183-L185 PolarHBondContact O-N 3.46Å; L185-D189 HydrophobicContact CD2-CB 4.33Å; L185-Y190 HydrophobicContact CB-CE2 4.02Å; L185-Y190 WeakPolarHBondContact CD1-OH 3.39Å
186K83.7Confident76.1Confident144 Ų14477.2 Ų77.263%0.62647%0.465SS*.  trans-107.7160.7176.1-61179.1-177.21790110.6S188 D189 Y190K186-S188 PolarHBondContact O-N 3.22Å; K186-S188 VanDerWaalsContact O-N 3.11Å; K186-D189 PolarHBondContact N-OD2 3.28Å; K186-D189 VanDerWaalsContact O-CB 3.24Å; K186-D189 WeakPolarHBondContact O-CB 3.45Å; K186-D189 PolarHBondContact O-N 2.74Å; K186-Y190 WeakPolarHBondContact O-CD2 3.46Å
187D84.2Confident78.3Confident120 Ų12081.5 Ų81.564%0.64248%0.476SS*.G310 helixtrans-54-33.7176.9-70.3-6.2000113.2D189 Y190 L193D187-D189 PolarHBondContact O-N 2.92Å; D187-D189 VanDerWaalsContact O-N 3.13Å; D187-Y190 PolarHBondContact O-N 3.44Å; D187-Y190 VanDerWaalsContact O-N 3.09Å; D187-L193 HydrophobicContact CB-CD2 3.67Å
188S85.1Confident80.5Confident73 Ų7381.1 Ų81.151%0.5146%0.463SS..G310 helixtrans-61.8-18.9175.857.20000114.3K160 K186 Y190K160-S188 WeakPolarHBondContact CD-O 3.4Å; K160-S188 VanDerWaalsContact CE-O 3.29Å; K160-S188 WeakPolarHBondContact CE-O 3.42Å; K160-S188 PolarHBondContact NZ-O 3.01Å; K186-S188 PolarHBondContact O-N 3.22Å; K186-S188 VanDerWaalsContact O-N 3.11Å; S188-Y190 VanDerWaalsContact C-N 3.29Å
189D86.3Confident82.9Confident60 Ų6079.3 Ų79.332%0.32145%0.452SS..G310 helixtrans-84.4-9.2-179.5-54.9-33.8000112Q159 K160 L185 K186 D187Q159-D189 CarbonylContact C-O 3.57Å; Q159-D189 WeakPolarHBondContact CA-O 3.35Å; K160-D189 PolarHBondContact N-O 3.34Å; L185-D189 HydrophobicContact CD2-CB 4.33Å; K186-D189 PolarHBondContact N-OD2 3.28Å; K186-D189 VanDerWaalsContact O-CB 3.24Å; K186-D189 WeakPolarHBondContact O-CB 3.45Å; K186-D189 PolarHBondContact O-N 2.74Å; D187-D189 PolarHBondContact O-N 2.92Å; D187-D189 VanDerWaalsContact O-N 3.13Å
190Y88.1Confident85.1Confident25 Ų2577.2 Ų77.210%0.09844%0.436CS..EExtended strand (participates in β ladder)trans-100.5141.9-179.8-67.3-96.4000111.9V158 Q159 K160 L185 K186 D187 S188 V192 L193V158-Y190 CarbonylContact O-C 3.39Å; V158-Y190 WeakPolarHBondContact O-CA 3.07Å; Q159-Y190 HydrophobicContact CG-CD1 3.77Å; Q159-Y190 HydrophobicContact CG-CE1 3.5Å; Q159-Y190 VanDerWaalsContact CG-CE1 3.5Å; Q159-Y190 HydrophobicContact CG-CG 4.4Å; K160-Y190 WeakPolarHBondContact CE-O 3.4Å; L185-Y190 HydrophobicContact CB-CE2 4.02Å; L185-Y190 WeakPolarHBondContact CD1-OH 3.39Å; K186-Y190 WeakPolarHBondContact O-CD2 3.46Å; D187-Y190 PolarHBondContact O-N 3.44Å; D187-Y190 VanDerWaalsContact O-N 3.09Å; S188-Y190 VanDerWaalsContact C-N 3.29Å; Y190-V192 WeakPolarHBondContact CB-O 3.33Å; Y190-V192 WeakPolarHBondContact CD1-O 3.46Å; Y190-L193 HydrophobicContact CG-CD2 4.49Å
191I90.1Very high87.1Confident57 Ų5778 Ų7829%0.29242%0.42SS..EExtended strand (participates in β ladder)trans-84.1-40.9161.6-54.6174.9000109.2W126 V128 P129 V158 K160W126-I191 HydrophobicContact CH2-CD1 3.46Å; W126-I191 VanDerWaalsContact CH2-CD1 3.46Å; W126-I191 HydrophobicContact CZ2-CD1 4.26Å; W126-I191 HydrophobicContact CZ3-CD1 3.75Å; V128-I191 HydrophobicContact CB-CD1 3.92Å; V128-I191 HydrophobicContact CB-CG2 3.93Å; V128-I191 HydrophobicContact CG1-CB 4.17Å; V128-I191 HydrophobicContact CG1-CD1 4.41Å; V128-I191 HydrophobicContact CG1-CG2 3.64Å; V128-I191 HydrophobicContact CG2-CD1 3.96Å; P129-I191 HydrophobicContact CG-CG2 4Å; V158-I191 PolarHBondContact O-N 2.94Å; K160-I191 HydrophobicContact CB-CG1 4.33Å; K160-I191 HydrophobicContact CG-CD1 4.29Å; K160-I191 HydrophobicContact CG-CG1 3.5Å; K160-I191 VanDerWaalsContact CG-CG1 3.5Å
192V92.4Very high88.9Confident8 Ų875 Ų755%0.04838%0.382CS..EExtended strand (participates in β ladder)trans-119.1119.3173.6-175.70000108.5V128 L132 M153 G157 V158 Y190V128-V192 HydrophobicContact CG1-CG2 4.08Å; L132-V192 HydrophobicContact CD1-CG2 3.24Å; L132-V192 HydrophobicContact CD2-CG2 4.11Å; L132-V192 HydrophobicContact CG-CG2 4.18Å; M153-V192 HydrophobicContact CE-CG2 4.47Å; G157-V192 CarbonylContact C-O 3.42Å; G157-V192 WeakPolarHBondContact CA-O 3.42Å; V158-V192 HydrophobicContact CB-CB 3.89Å; V158-V192 HydrophobicContact CB-CG2 3.94Å; V158-V192 HydrophobicContact CG2-CB 3.97Å; V158-V192 HydrophobicContact CG2-CG2 3.97Å; V158-V192 PolarHBondContact N-O 3.2Å; V158-V192 PolarHBondContact O-N 2.87Å; Y190-V192 WeakPolarHBondContact CB-O 3.33Å; Y190-V192 WeakPolarHBondContact CD1-O 3.46Å
193L92.8Very high90.4Very high83 Ų8369.6 Ų69.644%0.43536%0.357SS..  trans-72.1148.2176.1-65.3171.5000111H154 D187 Y190 D195H154-L193 PolarHBondContact ND1-O 3.42Å; D187-L193 HydrophobicContact CB-CD2 3.67Å; Y190-L193 HydrophobicContact CG-CD2 4.49Å; L193-D195 PolarHBondContact O-N 3.48Å
194K93.7Very high91.8Very high96 Ų9667.5 Ų67.542%0.41734%0.338SS..  trans-63.4124.5167.5-67.7176.2179173.30108.5H154 S156 S176H154-K194 CarbonylContact O-C 3.39Å; H154-K194 VanDerWaalsContact O-CA 3.27Å; H154-K194 WeakPolarHBondContact O-CA 3.42Å; S156-K194 WeakPolarHBondContact O-CE 3.4Å; S176-K194 PolarHBondContact OG-NZ 3.47Å
195D96.7Very high92.9Very high65 Ų6565.1 Ų65.135%0.34832%0.316SS..  trans-146.597.7178.4-176.8-20.3000108.7H154 L193 K197 K198 A199H154-D195 PolarHBondContact O-N 3.06Å; L193-D195 PolarHBondContact O-N 3.48Å; D195-K197 VanDerWaalsContact C-N 3.26Å; D195-K197 PolarHBondContact O-N 3.09Å; D195-K197 WeakPolarHBondContact OD1-CB 3.28Å; D195-K197 PolarHBondContact OD1-N 3.34Å; D195-K198 HydrophobicContact CB-CB 4.01Å; D195-K198 PolarHBondContact O-N 3.15Å; D195-K198 PolarHBondContact OD1-N 3.01Å; D195-A199 VanDerWaalsContact O-CB 3.32Å; D195-A199 WeakPolarHBondContact O-CB 3.31Å; D195-A199 PolarHBondContact O-N 3.17Å
196M97.7Very high94Very high58 Ų5862.6 Ų62.629%0.28630%0.303SS..Hα-helixtrans-66.8-28.6-177-61.3-53.2-69.700112.4I155 F200 M221 D226 G227I155-M196 HydrophobicContact CG1-CE 4.22Å; I155-M196 HydrophobicContact CG1-SD 4.41Å; I155-M196 HydrophobicContact CG2-CE 4.42Å; I155-M196 HydrophobicContact CG2-SD 4.47Å; M196-F200 VanDerWaalsContact O-CB 3.32Å; M196-F200 WeakPolarHBondContact O-CB 3.47Å; M196-F200 PolarHBondContact O-N 3.39Å; M196-M221 HydrophobicContact CE-CE 4.22Å; M196-D226 HydrophobicContact CE-CB 3.6Å; M196-G227 VanDerWaalsContact C-CA 3.47Å; M196-G227 WeakPolarHBondContact O-CA 3.29Å
197K98.2Very high94.7Very high149 Ų14955.8 Ų55.865%0.64827%0.274SS*.Hα-helixtrans-70-43.8177.7-67.4-176.6177.2-179.90110.7D195 F200 Q201 G227D195-K197 VanDerWaalsContact C-N 3.26Å; D195-K197 PolarHBondContact O-N 3.09Å; D195-K197 WeakPolarHBondContact OD1-CB 3.28Å; D195-K197 PolarHBondContact OD1-N 3.34Å; K197-F200 WeakPolarHBondContact O-CB 3.47Å; K197-F200 PolarHBondContact O-N 3.35Å; K197-Q201 WeakPolarHBondContact O-CG 3.35Å; K197-Q201 PolarHBondContact O-N 2.93Å; K197-G227 WeakPolarHBondContact CG-O 3.32Å
198K97.7Very high95.4Very high80 Ų8055.6 Ų55.635%0.34827%0.269SS..Hα-helixtrans-69.9-38.4176.1-164.9168.4-178.3-158.40111.8H154 D195 F200 Q201 F202H154-K198 WeakPolarHBondContact NE2-CD 3.48Å; H154-K198 WeakPolarHBondContact NE2-CE 3.35Å; H154-K198 PolarHBondContact NE2-NZ 2.93Å; D195-K198 HydrophobicContact CB-CB 4.01Å; D195-K198 PolarHBondContact O-N 3.15Å; D195-K198 PolarHBondContact OD1-N 3.01Å; K198-F200 VanDerWaalsContact C-N 3.27Å; K198-F200 PolarHBondContact O-N 3.01Å; K198-Q201 PolarHBondContact O-N 3.4Å; K198-F202 HydrophobicContact CD-CE2 4.16Å; K198-F202 HydrophobicContact CG-CD2 3.99Å; K198-F202 HydrophobicContact CG-CE2 3.66Å; K198-F202 VanDerWaalsContact O-CD2 3.26Å; K198-F202 WeakPolarHBondContact O-CD2 3.26Å; K198-F202 PolarHBondContact O-N 3.36Å; K198-F202 VanDerWaalsContact O-N 3.09Å
199A98.3Very high96Very high0 Ų054.6 Ų54.60%026%0.258CS..Hα-helixtrans-56.5-42.9170.400000112.1S151 H154 I155 D195 F202 A203 M221S151-A199 WeakPolarHBondContact CB-O 3.38Å; S151-A199 PolarHBondContact OG-O 3.41Å; H154-A199 HydrophobicContact CB-CB 3.84Å; I155-A199 HydrophobicContact CD1-CB 4.48Å; I155-A199 HydrophobicContact CG1-CB 3.58Å; D195-A199 VanDerWaalsContact O-CB 3.32Å; D195-A199 WeakPolarHBondContact O-CB 3.31Å; D195-A199 PolarHBondContact O-N 3.17Å; A199-F202 PolarHBondContact O-N 3.4Å; A199-A203 WeakPolarHBondContact O-CB 3.42Å; A199-A203 PolarHBondContact O-N 2.87Å; A199-M221 HydrophobicContact CB-CE 4.16Å
200F98.5Very high96.6Very high22 Ų2258.3 Ų58.310%0.09627%0.267CS..Hα-helixtrans-62.2-48.2177.7172.5-94.1000111M196 K197 K198 F202 A203 H204 L218 M221 Y222 I228M196-F200 VanDerWaalsContact O-CB 3.32Å; M196-F200 WeakPolarHBondContact O-CB 3.47Å; M196-F200 PolarHBondContact O-N 3.39Å; K197-F200 WeakPolarHBondContact O-CB 3.47Å; K197-F200 PolarHBondContact O-N 3.35Å; K198-F200 VanDerWaalsContact C-N 3.27Å; K198-F200 PolarHBondContact O-N 3.01Å; F200-F202 VanDerWaalsContact C-N 3.33Å; F200-F202 PolarHBondContact O-N 2.88Å; F200-A203 PolarHBondContact O-N 2.82Å; F200-H204 WeakPolarHBondContact O-CB 3.43Å; F200-H204 PolarHBondContact O-N 3.23Å; F200-L218 HydrophobicContact CD2-CD1 3.58Å; F200-L218 HydrophobicContact CE2-CD1 3.28Å; F200-L218 HydrophobicContact CZ-CD1 4.08Å; F200-M221 VanDerWaalsContact CA-CE 3.44Å; F200-M221 HydrophobicContact CB-CE 3.58Å; F200-M221 HydrophobicContact CD2-CB 4.5Å; F200-M221 HydrophobicContact CD2-CE 4.37Å; F200-M221 HydrophobicContact CG-CE 4.49Å; F200-Y222 HydrophobicContact CE2-CD2 4.41Å; F200-Y222 HydrophobicContact CE2-CE1 4.14Å; F200-Y222 AromaticContact CE2-CE2 3.79Å; F200-Y222 HydrophobicContact CE2-CE2 3.79Å; F200-Y222 AromaticContact CE2-CZ 3.67Å; F200-Y222 HydrophobicContact CZ-CE1 4.3Å; F200-Y222 HydrophobicContact CZ-CE2 4.19Å; F200-Y222 AromaticContact CZ-CZ 3.73Å; F200-Y222 WeakPolarHBondContact CZ-OH 3.43Å; F200-I228 HydrophobicContact CD1-CB 4.35Å; F200-I228 HydrophobicContact CD1-CD1 4.42Å; F200-I228 HydrophobicContact CD2-CB 3.69Å; F200-I228 HydrophobicContact CD2-CG1 4.31Å; F200-I228 HydrophobicContact CD2-CG2 3.62Å; F200-I228 HydrophobicContact CE1-CB 4.33Å; F200-I228 HydrophobicContact CE1-CD1 3.93Å; F200-I228 HydrophobicContact CE1-CG1 4.09Å; F200-I228 HydrophobicContact CE2-CB 3.65Å; F200-I228 HydrophobicContact CE2-CG1 3.79Å; F200-I228 HydrophobicContact CE2-CG2 3.54Å; F200-I228 HydrophobicContact CG-CB 4.05Å; F200-I228 HydrophobicContact CG-CG2 4.43Å; F200-I228 HydrophobicContact CZ-CB 4Å; F200-I228 HydrophobicContact CZ-CD1 4Å; F200-I228 HydrophobicContact CZ-CG1 3.68Å; F200-I228 HydrophobicContact CZ-CG2 4.33Å
201Q98.3Very high97Very high130 Ų13057.8 Ų57.861%0.60727%0.266SS*.Hα-helixtrans-57.2-45.1178.7-71.4172.5-11.500112.1K197 K198 K205K197-Q201 WeakPolarHBondContact O-CG 3.35Å; K197-Q201 PolarHBondContact O-N 2.93Å; K198-Q201 PolarHBondContact O-N 3.4Å; Q201-K205 PolarHBondContact O-N 2.93Å
202F98.6Very high97.4Very high24 Ų2457.5 Ų57.511%0.10526%0.264CS..Hα-helixtrans-70.2-39.4177-73.3-54000113.3C147 L150 H154 K198 A199 F200 H204 K205 A206C147-F202 WeakPolarHBondContact O-CB 3.5Å; L150-F202 HydrophobicContact CB-CB 4.35Å; L150-F202 HydrophobicContact CB-CD1 4.07Å; L150-F202 HydrophobicContact CB-CD2 3.72Å; L150-F202 HydrophobicContact CB-CE1 4.26Å; L150-F202 HydrophobicContact CB-CE2 3.88Å; L150-F202 HydrophobicContact CB-CG 3.81Å; L150-F202 HydrophobicContact CB-CZ 4.17Å; L150-F202 HydrophobicContact CD1-CD1 3.97Å; L150-F202 HydrophobicContact CD1-CE1 3.6Å; L150-F202 HydrophobicContact CD1-CE2 4.38Å; L150-F202 HydrophobicContact CD1-CZ 3.83Å; L150-F202 HydrophobicContact CG-CZ 4.48Å; H154-F202 AromaticContact CD2-CD2 3.81Å; H154-F202 AromaticContact CD2-CE2 3.59Å; H154-F202 AromaticContact NE2-CE2 3.82Å; K198-F202 HydrophobicContact CD-CE2 4.16Å; K198-F202 HydrophobicContact CG-CD2 3.99Å; K198-F202 HydrophobicContact CG-CE2 3.66Å; K198-F202 VanDerWaalsContact O-CD2 3.26Å; K198-F202 WeakPolarHBondContact O-CD2 3.26Å; K198-F202 PolarHBondContact O-N 3.36Å; K198-F202 VanDerWaalsContact O-N 3.09Å; A199-F202 PolarHBondContact O-N 3.4Å; F200-F202 VanDerWaalsContact C-N 3.33Å; F200-F202 PolarHBondContact O-N 2.88Å; F202-H204 VanDerWaalsContact C-N 3.33Å; F202-K205 PolarHBondContact O-N 2.83Å; F202-A206 VanDerWaalsContact O-CB 3.28Å; F202-A206 WeakPolarHBondContact O-CB 3.44Å; F202-A206 PolarHBondContact O-N 3.11Å
203A98.6Very high97.6Very high0 Ų063.9 Ų63.90%029%0.288CS..Hα-helixtrans-62-43174.800000111.2S151 A199 F200 A206 C207 L218 M221S151-A203 WeakPolarHBondContact OG-CB 3.24Å; A199-A203 WeakPolarHBondContact O-CB 3.42Å; A199-A203 PolarHBondContact O-N 2.87Å; F200-A203 PolarHBondContact O-N 2.82Å; A203-A206 PolarHBondContact O-N 2.87Å; A203-C207 WeakPolarHBondContact O-CB 3.39Å; A203-C207 PolarHBondContact O-N 3.4Å; A203-L218 HydrophobicContact CB-CD1 4.48Å; A203-M221 HydrophobicContact CB-SD 4.05Å
204H98.5Very high97.8Very high59 Ų5959.9 Ų59.927%0.27327%0.268SS..Hα-helixtrans-59.6-53.8175.3-170.7-69000110.8F200 F202 A206 C207 E208 L218 Y238F200-H204 WeakPolarHBondContact O-CB 3.43Å; F200-H204 PolarHBondContact O-N 3.23Å; F202-H204 VanDerWaalsContact C-N 3.33Å; H204-A206 VanDerWaalsContact C-N 3.33Å; H204-A206 PolarHBondContact O-N 3.33Å; H204-C207 PolarHBondContact O-N 3.48Å; H204-C207 VanDerWaalsContact O-N 3.14Å; H204-E208 IonicContact CE1-OE1 3.65Å; H204-E208 WeakPolarHBondContact O-CG 3.35Å; H204-E208 PolarHBondContact O-N 2.92Å; H204-L218 HydrophobicContact CB-CD1 4.24Å; H204-L218 HydrophobicContact CB-CD2 4.35Å; H204-Y238 PolarHBondContact NE2-OH 3.22Å
205K98.6Very high98.1Very high61 Ų6155.3 Ų55.327%0.26525%0.248SC..Hα-helixtrans-57.3-44177.2-174.7172.2174.5-178.20112.3C139 D140 Q201 F202 C207 E208 L209C139-K205 WeakPolarHBondContact O-CE 3.37Å; C139-K205 PolarHBondContact O-NZ 3.48Å; D140-K205 IonicContact OD1-NZ 2.88Å; D140-K205 PolarHBondContact OD1-NZ 2.8Å; Q201-K205 PolarHBondContact O-N 2.93Å; F202-K205 PolarHBondContact O-N 2.83Å; K205-C207 VanDerWaalsContact C-N 3.35Å; K205-C207 PolarHBondContact O-N 3.35Å; K205-E208 PolarHBondContact O-N 3.06Å; K205-L209 HydrophobicContact CG-CD1 4.14Å; K205-L209 VanDerWaalsContact O-CG 3.25Å; K205-L209 WeakPolarHBondContact O-CG 3.07Å; K205-L209 PolarHBondContact O-N 3.46Å; K205-L209 VanDerWaalsContact O-N 3.07Å
206A98.7Very high98.1Very high0 Ų054.3 Ų54.30%025%0.248CC..Hα-helixtrans-62.4-39.8176.900000112.7A144 C147 F148 F202 A203 H204 L209 R210 N211 A214A144-A206 WeakPolarHBondContact O-CB 3.42Å; C147-A206 HydrophobicContact CB-CB 3.63Å; F148-A206 HydrophobicContact CB-CB 4.14Å; F202-A206 VanDerWaalsContact O-CB 3.28Å; F202-A206 WeakPolarHBondContact O-CB 3.44Å; F202-A206 PolarHBondContact O-N 3.11Å; A203-A206 PolarHBondContact O-N 2.87Å; H204-A206 VanDerWaalsContact C-N 3.33Å; H204-A206 PolarHBondContact O-N 3.33Å; A206-L209 CarbonylContact O-C 3.52Å; A206-L209 PolarHBondContact O-N 2.59Å; A206-R210 PolarHBondContact O-N 3.15Å; A206-N211 HydrophobicContact CB-CB 4.19Å; A206-N211 WeakPolarHBondContact O-CB 3.38Å; A206-N211 PolarHBondContact O-N 3.04Å; A206-A214 HydrophobicContact CB-CB 3.35Å
207C98.6Very high98.1Very high2 Ų252.6 Ų52.61%0.01424%0.24CC..Hα-helixtrans-66.9-43.1177.21790000112.1A203 H204 K205 L209 R210 A214 C215 L218 Y238A203-C207 WeakPolarHBondContact O-CB 3.39Å; A203-C207 PolarHBondContact O-N 3.4Å; H204-C207 PolarHBondContact O-N 3.48Å; H204-C207 VanDerWaalsContact O-N 3.14Å; K205-C207 VanDerWaalsContact C-N 3.35Å; K205-C207 PolarHBondContact O-N 3.35Å; C207-L209 PolarHBondContact O-N 3Å; C207-R210 WeakPolarHBondContact O-CA 3.35Å; C207-R210 PolarHBondContact O-N 3.19Å; C207-A214 HydrophobicContact CB-CB 4.32Å; C207-C215 WeakPolarHBondContact CA-SG 3.5Å; C207-C215 HydrophobicContact CB-CB 4.02Å; C207-C215 WeakPolarHBondContact CB-SG 3.16Å; C207-C215 WeakPolarHBondContact SG-CA 3.49Å; C207-C215 WeakPolarHBondContact SG-CB 3.27Å; C207-C215 CovalentContact SG-SG 2.03Å; C207-C215 PolarHBondContact SG-SG 3.12Å; C207-L218 HydrophobicContact CB-CD2 4.03Å; C207-Y238 VanDerWaalsContact SG-CD1 3.51Å
208E98.2Very high98.1Very high116 Ų11645.5 Ų45.554%0.54221%0.21SC..Hα-helixtrans-60.2-31173.2-66.7-59.5132.600111.9H204 K205 R210H204-E208 IonicContact CE1-OE1 3.65Å; H204-E208 WeakPolarHBondContact O-CG 3.35Å; H204-E208 PolarHBondContact O-N 2.92Å; K205-E208 PolarHBondContact O-N 3.06Å; E208-R210 PolarHBondContact O-N 3.44Å
209L98.2Very high98.1Very high52 Ų5242 Ų4227%0.27220%0.195SC..THydrogen-bonded Turntrans-83.418.8172.2-63170.1000113.5N142 A144 K205 A206 C207 N211N142-L209 HydrophobicContact CB-CD1 4.22Å; N142-L209 HydrophobicContact CB-CD2 3.76Å; A144-L209 HydrophobicContact CB-CB 3.47Å; A144-L209 VanDerWaalsContact CB-CB 3.47Å; A144-L209 HydrophobicContact CB-CD1 4.44Å; A144-L209 WeakPolarHBondContact CB-O 3.18Å; K205-L209 HydrophobicContact CG-CD1 4.14Å; K205-L209 VanDerWaalsContact O-CG 3.25Å; K205-L209 WeakPolarHBondContact O-CG 3.07Å; K205-L209 PolarHBondContact O-N 3.46Å; K205-L209 VanDerWaalsContact O-N 3.07Å; A206-L209 CarbonylContact O-C 3.52Å; A206-L209 PolarHBondContact O-N 2.59Å; C207-L209 PolarHBondContact O-N 3Å; L209-N211 PolarHBondContact O-N 3.08Å
210R97.1Very high98.1Very high137 Ų13745.8 Ų45.852%0.51721%0.213SC..THydrogen-bonded Turntrans61.332.6178-57.1-167.268.289.6-5.3115.5A206 C207 E208 M212 M245 E248A206-R210 PolarHBondContact O-N 3.15Å; C207-R210 WeakPolarHBondContact O-CA 3.35Å; C207-R210 PolarHBondContact O-N 3.19Å; E208-R210 PolarHBondContact O-N 3.44Å; R210-M212 PolarHBondContact O-N 3.18Å; R210-M245 HydrophobicContact CB-SD 3.87Å; R210-M245 HydrophobicContact CG-SD 4.49Å; R210-E248 IonicContact CZ-OE2 3.99Å; R210-E248 VanDerWaalsContact NH2-CD 3.25Å; R210-E248 IonicContact NH2-OE1 3.85Å; R210-E248 PolarHBondContact NH2-OE1 3.36Å; R210-E248 IonicContact NH2-OE2 2.69Å; R210-E248 PolarHBondContact NH2-OE2 3.04Å
211N98Very high98.1Very high15 Ų1545 Ų458%0.0821%0.209CC..  trans-81.6109.8167.2-171.4-70.8000110.8A144 A206 L209 Y213 A214 C215A144-N211 HydrophobicContact CB-CB 3.88Å; A206-N211 HydrophobicContact CB-CB 4.19Å; A206-N211 WeakPolarHBondContact O-CB 3.38Å; A206-N211 PolarHBondContact O-N 3.04Å; L209-N211 PolarHBondContact O-N 3.08Å; N211-Y213 VanDerWaalsContact C-N 3.33Å; N211-Y213 PolarHBondContact O-N 2.69Å; N211-Y213 WeakPolarHBondContact OD1-CB 3.48Å; N211-Y213 PolarHBondContact OD1-N 2.74Å; N211-Y213 VanDerWaalsContact OD1-N 3.14Å; N211-A214 HydrophobicContact CB-CB 3.86Å; N211-A214 WeakPolarHBondContact O-CB 3.03Å; N211-A214 PolarHBondContact O-N 3.22Å; N211-A214 PolarHBondContact OD1-N 2.88Å; N211-C215 PolarHBondContact O-N 2.97Å; N211-C215 VanDerWaalsContact O-N 3.08Å
212M97.2Very high98.1Very high50 Ų5040 Ų4025%0.24619%0.185CC..Hα-helixtrans-61.1-36.9-177.271.6-179.2-17700114.3R210 C215 A216 M245R210-M212 PolarHBondContact O-N 3.18Å; M212-C215 PolarHBondContact O-N 3.21Å; M212-A216 PolarHBondContact O-N 3.13Å; M212-M245 VanDerWaalsContact CA-CE 3.49Å; M212-M245 HydrophobicContact CB-CB 4.1Å; M212-M245 HydrophobicContact CB-CE 3.93Å; M212-M245 HydrophobicContact CB-SD 4.45Å
213Y97Very high98.1Very high142 Ų14240.6 Ų40.656%0.55720%0.195SC*.Hα-helixtrans-69.8-36.3178.7-56.8-71.2000111.3F148 N211 A216 N217F148-Y213 VanDerWaalsContact CE2-CB 3.46Å; F148-Y213 VanDerWaalsContact CZ-CB 3.4Å; F148-Y213 HydrophobicContact CZ-CG 4.21Å; N211-Y213 VanDerWaalsContact C-N 3.33Å; N211-Y213 PolarHBondContact O-N 2.69Å; N211-Y213 WeakPolarHBondContact OD1-CB 3.48Å; N211-Y213 PolarHBondContact OD1-N 2.74Å; N211-Y213 VanDerWaalsContact OD1-N 3.14Å; Y213-A216 PolarHBondContact O-N 3.23Å; Y213-N217 PolarHBondContact O-N 2.88Å
214A98.2Very high98Very high0 Ų046.5 Ų46.50%022%0.217CC..Hα-helixtrans-65.8-41.2174.400000112.2F148 A206 C207 N211 A216 N217 L218F148-A214 HydrophobicContact CD2-CB 3.92Å; A206-A214 HydrophobicContact CB-CB 3.35Å; C207-A214 HydrophobicContact CB-CB 4.32Å; N211-A214 HydrophobicContact CB-CB 3.86Å; N211-A214 WeakPolarHBondContact O-CB 3.03Å; N211-A214 PolarHBondContact O-N 3.22Å; N211-A214 PolarHBondContact OD1-N 2.88Å; A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 3.48Å; A214-N217 PolarHBondContact O-N 3.38Å; A214-L218 VanDerWaalsContact O-CB 3.3Å; A214-L218 WeakPolarHBondContact O-CB 3.46Å; A214-L218 PolarHBondContact O-N 3.23Å
215C98.4Very high98Very high0 Ų045 Ų450%022%0.218CC..Hα-helixtrans-64.1-39.3174.8-62.70000112.2C207 N211 M212 L218 S219 A242 M245C207-C215 WeakPolarHBondContact CA-SG 3.5Å; C207-C215 HydrophobicContact CB-CB 4.02Å; C207-C215 WeakPolarHBondContact CB-SG 3.16Å; C207-C215 WeakPolarHBondContact SG-CA 3.49Å; C207-C215 WeakPolarHBondContact SG-CB 3.27Å; C207-C215 CovalentContact SG-SG 2.03Å; C207-C215 PolarHBondContact SG-SG 3.12Å; N211-C215 PolarHBondContact O-N 2.97Å; N211-C215 VanDerWaalsContact O-N 3.08Å; M212-C215 PolarHBondContact O-N 3.21Å; C215-L218 PolarHBondContact O-N 2.96Å; C215-S219 WeakPolarHBondContact O-CB 3.46Å; C215-S219 PolarHBondContact O-N 3.42Å; C215-A242 HydrophobicContact CB-CB 3.97Å; C215-M245 HydrophobicContact CB-CE 3.98Å; C215-M245 WeakPolarHBondContact SG-CE 3.37Å
216A98.1Very high97.9Very high43 Ų4344.7 Ų44.736%0.35522%0.219SC..Hα-helixtrans-62.6-42.7173.300000111.8M212 Y213 A214 S219 Q220 A242M212-A216 PolarHBondContact O-N 3.13Å; Y213-A216 PolarHBondContact O-N 3.23Å; A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 3.48Å; A216-S219 WeakPolarHBondContact O-CB 3.19Å; A216-S219 PolarHBondContact O-N 3.2Å; A216-Q220 WeakPolarHBondContact O-CG 3.04Å; A216-Q220 PolarHBondContact O-N 2.96Å; A216-A242 HydrophobicContact CB-CB 4.24Å
217N96.9Very high97.8Very high23 Ų2345.7 Ų45.712%0.12323%0.229CC..Hα-helixtrans-62.6-46.3173.9-77.8-5.3000111.4F148 Y213 A214 S219 Q220 M221F148-N217 WeakPolarHBondContact CE2-ND2 3.42Å; Y213-N217 PolarHBondContact O-N 2.88Å; A214-N217 PolarHBondContact O-N 3.38Å; N217-S219 VanDerWaalsContact C-N 3.31Å; N217-S219 PolarHBondContact O-N 3.39Å; N217-Q220 CarbonylContact O-C 3.52Å; N217-Q220 WeakPolarHBondContact O-CB 3.39Å; N217-Q220 PolarHBondContact O-N 3.21Å; N217-M221 VanDerWaalsContact O-CG 3.24Å; N217-M221 WeakPolarHBondContact O-CG 3.44Å; N217-M221 PolarHBondContact O-N 3.21Å
218L97.5Very high97.8Very high0 Ų048.4 Ų48.40%024%0.243CC..Hα-helixtrans-59.8-41.4179.8-170.863.4000111.9F200 A203 H204 C207 A214 C215 Q220 M221 Y222 Y238F200-L218 HydrophobicContact CD2-CD1 3.58Å; F200-L218 HydrophobicContact CE2-CD1 3.28Å; F200-L218 HydrophobicContact CZ-CD1 4.08Å; A203-L218 HydrophobicContact CB-CD1 4.48Å; H204-L218 HydrophobicContact CB-CD1 4.24Å; H204-L218 HydrophobicContact CB-CD2 4.35Å; C207-L218 HydrophobicContact CB-CD2 4.03Å; A214-L218 VanDerWaalsContact O-CB 3.3Å; A214-L218 WeakPolarHBondContact O-CB 3.46Å; A214-L218 PolarHBondContact O-N 3.23Å; C215-L218 PolarHBondContact O-N 2.96Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 3.41Å; L218-M221 PolarHBondContact O-N 2.03Å; L218-Y222 HydrophobicContact CD1-CD2 4.23Å; L218-Y222 HydrophobicContact CD1-CE2 3.86Å; L218-Y222 HydrophobicContact CD2-CE2 4.38Å; L218-Y222 HydrophobicContact CG-CD2 4.01Å; L218-Y222 HydrophobicContact CG-CE2 3.81Å; L218-Y222 VanDerWaalsContact O-CD2 3.29Å; L218-Y222 WeakPolarHBondContact O-CD2 3.35Å; L218-Y222 PolarHBondContact O-N 2.96Å; L218-Y238 HydrophobicContact CB-CG 4.45Å; L218-Y238 HydrophobicContact CD2-CD1 3.54Å; L218-Y238 HydrophobicContact CD2-CD2 3.8Å; L218-Y238 HydrophobicContact CD2-CE1 3.4Å; L218-Y238 VanDerWaalsContact CD2-CE1 3.4Å; L218-Y238 HydrophobicContact CD2-CE2 3.72Å; L218-Y238 HydrophobicContact CD2-CG 3.72Å; L218-Y238 VanDerWaalsContact CD2-CZ 3.5Å; L218-Y238 HydrophobicContact CG-CD1 4.35Å; L218-Y238 HydrophobicContact CG-CD2 3.96Å; L218-Y238 HydrophobicContact CG-CE2 4.19Å; L218-Y238 HydrophobicContact CG-CG 4.05Å
219S98.4Very high97.8Very high6 Ų650.8 Ų50.84%0.04225%0.254CS..Hα-helixtrans-54.8-48.8171.5176.10000111.9C215 A216 N217 M221 Y222 A223 A235 K239C215-S219 WeakPolarHBondContact O-CB 3.46Å; C215-S219 PolarHBondContact O-N 3.42Å; A216-S219 WeakPolarHBondContact O-CB 3.19Å; A216-S219 PolarHBondContact O-N 3.2Å; N217-S219 VanDerWaalsContact C-N 3.31Å; N217-S219 PolarHBondContact O-N 3.39Å; S219-M221 VanDerWaalsContact C-N 3.33Å; S219-M221 PolarHBondContact O-N 3.48Å; S219-Y222 PolarHBondContact O-N 3.41Å; S219-A223 WeakPolarHBondContact O-CB 3.49Å; S219-A223 PolarHBondContact O-N 3.25Å; S219-A235 WeakPolarHBondContact CB-O 3.02Å; S219-A235 WeakPolarHBondContact O-CB 3.3Å; S219-A235 PolarHBondContact OG-O 3.05Å; S219-K239 WeakPolarHBondContact OG-CB 3.17Å
220Q98.2Very high97.8Very high79 Ų7953.6 Ų53.637%0.36926%0.264SS..Hα-helixtrans-66.4-36178.1-64.3-63.193.500112.3A216 N217 L218 A223 R224A216-Q220 WeakPolarHBondContact O-CG 3.04Å; A216-Q220 PolarHBondContact O-N 2.96Å; N217-Q220 CarbonylContact O-C 3.52Å; N217-Q220 WeakPolarHBondContact O-CB 3.39Å; N217-Q220 PolarHBondContact O-N 3.21Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 3.41Å; Q220-A223 PolarHBondContact O-N 3.4Å; Q220-R224 WeakPolarHBondContact O-CB 3.24Å; Q220-R224 WeakPolarHBondContact O-CG 3.4Å; Q220-R224 PolarHBondContact O-N 3.45Å
221M98.5Very high97.8Very high6 Ų650.2 Ų50.23%0.0326%0.256CS..Hα-helixtrans-64.3-44.7178.2-67.9176.584.700111.4M196 A199 F200 A203 N217 L218 S219 R224 G225 D226M196-M221 HydrophobicContact CE-CE 4.22Å; A199-M221 HydrophobicContact CB-CE 4.16Å; F200-M221 VanDerWaalsContact CA-CE 3.44Å; F200-M221 HydrophobicContact CB-CE 3.58Å; F200-M221 HydrophobicContact CD2-CB 4.5Å; F200-M221 HydrophobicContact CD2-CE 4.37Å; F200-M221 HydrophobicContact CG-CE 4.49Å; A203-M221 HydrophobicContact CB-SD 4.05Å; N217-M221 VanDerWaalsContact O-CG 3.24Å; N217-M221 WeakPolarHBondContact O-CG 3.44Å; N217-M221 PolarHBondContact O-N 3.21Å; L218-M221 PolarHBondContact O-N 2.03Å; S219-M221 VanDerWaalsContact C-N 3.33Å; S219-M221 PolarHBondContact O-N 3.48Å; M221-R224 PolarHBondContact O-N 3.43Å; M221-G225 WeakPolarHBondContact O-CA 3.24Å; M221-G225 PolarHBondContact O-N 2.6Å; M221-D226 HydrophobicContact CB-CB 4.23Å; M221-D226 WeakPolarHBondContact CE-O 3.23Å; M221-D226 HydrophobicContact CG-CB 4.18Å; M221-D226 PolarHBondContact O-N 2.92Å
222Y98.6Very high97.8Very high25 Ų2555.2 Ų55.210%0.09828%0.279CS..Hα-helixtrans-65.5-36.7172.3-81.6-65000113.3F200 L218 S219 R224 I228 K230 N231 E234 Y238F200-Y222 HydrophobicContact CE2-CD2 4.41Å; F200-Y222 HydrophobicContact CE2-CE1 4.14Å; F200-Y222 AromaticContact CE2-CE2 3.79Å; F200-Y222 HydrophobicContact CE2-CE2 3.79Å; F200-Y222 AromaticContact CE2-CZ 3.67Å; F200-Y222 HydrophobicContact CZ-CE1 4.3Å; F200-Y222 HydrophobicContact CZ-CE2 4.19Å; F200-Y222 AromaticContact CZ-CZ 3.73Å; F200-Y222 WeakPolarHBondContact CZ-OH 3.43Å; L218-Y222 HydrophobicContact CD1-CD2 4.23Å; L218-Y222 HydrophobicContact CD1-CE2 3.86Å; L218-Y222 HydrophobicContact CD2-CE2 4.38Å; L218-Y222 HydrophobicContact CG-CD2 4.01Å; L218-Y222 HydrophobicContact CG-CE2 3.81Å; L218-Y222 VanDerWaalsContact O-CD2 3.29Å; L218-Y222 WeakPolarHBondContact O-CD2 3.35Å; L218-Y222 PolarHBondContact O-N 2.96Å; S219-Y222 PolarHBondContact O-N 3.41Å; Y222-R224 VanDerWaalsContact C-N 3.25Å; Y222-R224 PolarHBondContact O-N 3.3Å; Y222-I228 HydrophobicContact CD1-CG1 4.35Å; Y222-I228 HydrophobicContact CD1-CG2 3.78Å; Y222-I228 HydrophobicContact CE1-CG1 3.79Å; Y222-I228 HydrophobicContact CE1-CG2 4Å; Y222-I228 HydrophobicContact CG-CG2 4.35Å; Y222-K230 CarbonylContact O-C 3.05Å; Y222-K230 VanDerWaalsContact O-CA 3.23Å; Y222-K230 WeakPolarHBondContact O-CA 3.36Å; Y222-K230 WeakPolarHBondContact O-CG 3.47Å; Y222-N231 HydrophobicContact CD1-CB 3.93Å; Y222-N231 PolarHBondContact O-N 3.42Å; Y222-E234 HydrophobicContact CD1-CB 3.87Å; Y222-E234 HydrophobicContact CD2-CB 3.87Å; Y222-E234 HydrophobicContact CE1-CB 3.94Å; Y222-E234 HydrophobicContact CE1-CG 4.28Å; Y222-E234 HydrophobicContact CE2-CB 3.98Å; Y222-E234 HydrophobicContact CG-CB 3.81Å; Y222-Y238 AromaticContact CD2-CD2 3.75Å; Y222-Y238 HydrophobicContact CD2-CD2 3.75Å; Y222-Y238 HydrophobicContact CD2-CE2 4.02Å; Y222-Y238 AromaticContact CE2-CD2 3.61Å; Y222-Y238 HydrophobicContact CE2-CD2 3.61Å; Y222-Y238 AromaticContact CE2-CE2 3.38Å; Y222-Y238 HydrophobicContact CE2-CE2 3.38Å
223A98.3Very high97.9Very high37 Ų3761.1 Ų61.131%0.30630%0.303SS..Hα-helixtrans-66.2-29.9178.600000112.6S219 Q220 K230 A235S219-A223 WeakPolarHBondContact O-CB 3.49Å; S219-A223 PolarHBondContact O-N 3.25Å; Q220-A223 PolarHBondContact O-N 3.4Å; A223-K230 VanDerWaalsContact O-CE 3.23Å; A223-K230 WeakPolarHBondContact O-CE 3.41Å; A223-K230 WeakPolarHBondContact O-CG 3.46Å; A223-A235 HydrophobicContact CB-CB 3.97Å
224R97.6Very high98Very high123 Ų12356.6 Ų56.646%0.46429%0.288SS..Hα-helixtrans-102.5-19.8-175.4-66.6175.5-178.7170.50.6114.4G172 Q220 M221 Y222 D226G172-R224 VanDerWaalsContact O-CZ 3.31Å; G172-R224 PolarHBondContact O-NH1 2.97Å; G172-R224 PolarHBondContact O-NH2 2.87Å; Q220-R224 WeakPolarHBondContact O-CB 3.24Å; Q220-R224 WeakPolarHBondContact O-CG 3.4Å; Q220-R224 PolarHBondContact O-N 3.45Å; M221-R224 PolarHBondContact O-N 3.43Å; Y222-R224 VanDerWaalsContact C-N 3.25Å; Y222-R224 PolarHBondContact O-N 3.3Å; R224-D226 WeakPolarHBondContact CD-OD2 3.43Å
225G97.6Very high98Very high29 Ų2957 Ų5730%0.29929%0.291SS..THydrogen-bonded Turntrans76.929.2-169.100000112.9M221 G227 I228M221-G225 WeakPolarHBondContact O-CA 3.24Å; M221-G225 PolarHBondContact O-N 2.6Å; G225-G227 PolarHBondContact O-N 2.71Å; G225-I228 CarbonylContact C-O 3.52Å; G225-I228 WeakPolarHBondContact CA-O 3.07Å
226D96.2Very high98Very high53 Ų5363.5 Ų63.528%0.28332%0.321SS..SBendtrans-79.999.3-178-76-26.6000109.8M196 M221 R224 I228M196-D226 HydrophobicContact CE-CB 3.6Å; M221-D226 HydrophobicContact CB-CB 4.23Å; M221-D226 WeakPolarHBondContact CE-O 3.23Å; M221-D226 HydrophobicContact CG-CB 4.18Å; M221-D226 PolarHBondContact O-N 2.92Å; R224-D226 WeakPolarHBondContact CD-OD2 3.43Å; D226-I228 PolarHBondContact O-N 3Å
227G96.6Very high98Very high21 Ų2166.5 Ų66.522%0.21633%0.326CS..SBendtrans78.5-2.7178.900000115.3M196 K197 G225M196-G227 VanDerWaalsContact C-CA 3.47Å; M196-G227 WeakPolarHBondContact O-CA 3.29Å; K197-G227 WeakPolarHBondContact CG-O 3.32Å; G225-G227 PolarHBondContact O-N 2.71Å
228I98.3Very high98.1Very high59 Ų5965.7 Ų65.730%0.30332%0.321SS..SBendtrans-146.3164.5176.4-166.460000108.8F200 Y222 G225 D226F200-I228 HydrophobicContact CD1-CB 4.35Å; F200-I228 HydrophobicContact CD1-CD1 4.42Å; F200-I228 HydrophobicContact CD2-CB 3.69Å; F200-I228 HydrophobicContact CD2-CG1 4.31Å; F200-I228 HydrophobicContact CD2-CG2 3.62Å; F200-I228 HydrophobicContact CE1-CB 4.33Å; F200-I228 HydrophobicContact CE1-CD1 3.93Å; F200-I228 HydrophobicContact CE1-CG1 4.09Å; F200-I228 HydrophobicContact CE2-CB 3.65Å; F200-I228 HydrophobicContact CE2-CG1 3.79Å; F200-I228 HydrophobicContact CE2-CG2 3.54Å; F200-I228 HydrophobicContact CG-CB 4.05Å; F200-I228 HydrophobicContact CG-CG2 4.43Å; F200-I228 HydrophobicContact CZ-CB 4Å; F200-I228 HydrophobicContact CZ-CD1 4Å; F200-I228 HydrophobicContact CZ-CG1 3.68Å; F200-I228 HydrophobicContact CZ-CG2 4.33Å; Y222-I228 HydrophobicContact CD1-CG1 4.35Å; Y222-I228 HydrophobicContact CD1-CG2 3.78Å; Y222-I228 HydrophobicContact CE1-CG1 3.79Å; Y222-I228 HydrophobicContact CE1-CG2 4Å; Y222-I228 HydrophobicContact CG-CG2 4.35Å; G225-I228 CarbonylContact C-O 3.52Å; G225-I228 WeakPolarHBondContact CA-O 3.07Å; D226-I228 PolarHBondContact O-N 3Å
229E97.9Very high98.1Very high166 Ų16671.7 Ų71.778%0.77635%0.348SS*.  trans-63.2141.4172.2-171.1176.9-178.600111.2N231E229-N231 PolarHBondContact O-N 3.4Å
230K98.3Very high98.1Very high112 Ų11277.8 Ų77.849%0.48737%0.373SS..  trans-60.1126.9175.2-176.1-173.5172.8-160.70109.8Y222 A223 E232Y222-K230 CarbonylContact O-C 3.05Å; Y222-K230 VanDerWaalsContact O-CA 3.23Å; Y222-K230 WeakPolarHBondContact O-CA 3.36Å; Y222-K230 WeakPolarHBondContact O-CG 3.47Å; A223-K230 VanDerWaalsContact O-CE 3.23Å; A223-K230 WeakPolarHBondContact O-CE 3.41Å; A223-K230 WeakPolarHBondContact O-CG 3.46Å; K230-E232 WeakPolarHBondContact CE-OE1 3.26Å; K230-E232 IonicContact NZ-OE1 2.78Å; K230-E232 PolarHBondContact NZ-OE1 2.94Å
231N98.5Very high98.1Very high65 Ų6576.1 Ų76.135%0.34837%0.367SS..  trans-146.2105177.8-173.6-30.1000110.8Y222 E229 K233 E234 A235Y222-N231 HydrophobicContact CD1-CB 3.93Å; Y222-N231 PolarHBondContact O-N 3.42Å; E229-N231 PolarHBondContact O-N 3.4Å; N231-K233 VanDerWaalsContact C-N 3.33Å; N231-K233 PolarHBondContact O-N 2.96Å; N231-K233 PolarHBondContact OD1-N 3.29Å; N231-K233 VanDerWaalsContact OD1-N 3.11Å; N231-E234 HydrophobicContact CB-CB 4.18Å; N231-E234 HydrophobicContact CB-CG 4.43Å; N231-E234 PolarHBondContact O-N 3.26Å; N231-E234 PolarHBondContact OD1-N 2.87Å; N231-E234 VanDerWaalsContact OD1-N 3.11Å; N231-A235 WeakPolarHBondContact O-CB 3.44Å; N231-A235 PolarHBondContact O-N 2.88Å
232E98.2Very high98.1Very high120 Ų12076.5 Ų76.556%0.56137%0.371SS*.Hα-helixtrans-66.5-33.5-176.2-66.9178.1178.500112.8K230 A235 E236K230-E232 WeakPolarHBondContact CE-OE1 3.26Å; K230-E232 IonicContact NZ-OE1 2.78Å; K230-E232 PolarHBondContact NZ-OE1 2.94Å; E232-A235 WeakPolarHBondContact O-CB 3.28Å; E232-A235 PolarHBondContact O-N 2.84Å; E232-E236 WeakPolarHBondContact O-CG 3.43Å; E232-E236 PolarHBondContact O-N 3.46Å
233K98.5Very high98.1Very high174 Ų17479.3 Ų79.376%0.75739%0.387SS*.Hα-helixtrans-67.1-44.8177.8-67.1-177.8178.7178.50111.7N231 A235 E236 K237N231-K233 VanDerWaalsContact C-N 3.33Å; N231-K233 PolarHBondContact O-N 2.96Å; N231-K233 PolarHBondContact OD1-N 3.29Å; N231-K233 VanDerWaalsContact OD1-N 3.11Å; K233-A235 VanDerWaalsContact C-N 3.35Å; K233-E236 PolarHBondContact O-N 3.43Å; K233-K237 WeakPolarHBondContact O-CB 3.37Å; K233-K237 PolarHBondContact O-N 3.01Å
234E98.4Very high98Very high48 Ų4881.7 Ų81.722%0.22439%0.392CS..Hα-helixtrans-67.4-38.2174.8-71.7-61.6131.900111Y222 N231 E236 K237 Y238Y222-E234 HydrophobicContact CD1-CB 3.87Å; Y222-E234 HydrophobicContact CD2-CB 3.87Å; Y222-E234 HydrophobicContact CE1-CB 3.94Å; Y222-E234 HydrophobicContact CE1-CG 4.28Å; Y222-E234 HydrophobicContact CE2-CB 3.98Å; Y222-E234 HydrophobicContact CG-CB 3.81Å; N231-E234 HydrophobicContact CB-CB 4.18Å; N231-E234 HydrophobicContact CB-CG 4.43Å; N231-E234 PolarHBondContact O-N 3.26Å; N231-E234 PolarHBondContact OD1-N 2.87Å; N231-E234 VanDerWaalsContact OD1-N 3.11Å; E234-E236 PolarHBondContact O-N 3.41Å; E234-K237 WeakPolarHBondContact O-CB 3.36Å; E234-K237 PolarHBondContact O-N 2.55Å; E234-K237 IonicContact OE1-NZ 3.48Å; E234-K237 PolarHBondContact OE1-NZ 3.49Å; E234-K237 WeakPolarHBondContact OE2-CD 3.2Å; E234-K237 IonicContact OE2-NZ 2.8Å; E234-K237 PolarHBondContact OE2-NZ 3.09Å; E234-Y238 HydrophobicContact CB-CD2 4.48Å; E234-Y238 HydrophobicContact CB-CE2 4.46Å; E234-Y238 WeakPolarHBondContact O-CD2 3.01Å; E234-Y238 PolarHBondContact O-N 3.38Å; E234-Y238 VanDerWaalsContact OE2-CE2 3.25Å; E234-Y238 WeakPolarHBondContact OE2-CE2 3.41Å
235A98.5Very high98Very high8 Ų876.2 Ų76.27%0.06637%0.372CS..Hα-helixtrans-56.9-47.5174.600000112.1S219 A223 N231 E232 K233 K239S219-A235 WeakPolarHBondContact CB-O 3.02Å; S219-A235 WeakPolarHBondContact O-CB 3.3Å; S219-A235 PolarHBondContact OG-O 3.05Å; A223-A235 HydrophobicContact CB-CB 3.97Å; N231-A235 WeakPolarHBondContact O-CB 3.44Å; N231-A235 PolarHBondContact O-N 2.88Å; E232-A235 WeakPolarHBondContact O-CB 3.28Å; E232-A235 PolarHBondContact O-N 2.84Å; K233-A235 VanDerWaalsContact C-N 3.35Å; A235-K239 WeakPolarHBondContact O-CB 3.34Å; A235-K239 PolarHBondContact O-N 2.99Å
236E98.6Very high97.8Very high137 Ų13779 Ų7964%0.6438%0.377SS*.Hα-helixtrans-65.3-41.1177.1-74.1-179.9175.200112.8E232 K233 E234 K239 K240E232-E236 WeakPolarHBondContact O-CG 3.43Å; E232-E236 PolarHBondContact O-N 3.46Å; K233-E236 PolarHBondContact O-N 3.43Å; E234-E236 PolarHBondContact O-N 3.41Å; E236-K239 WeakPolarHBondContact O-CB 3.49Å; E236-K239 PolarHBondContact O-N 3.47Å; E236-K240 WeakPolarHBondContact O-CB 3.42Å; E236-K240 PolarHBondContact O-N 2.91Å
237K98.4Very high97.8Very high105 Ų10579.9 Ų79.946%0.45738%0.382SS..Hα-helixtrans-57.2-51.3175.9173-174.1159.2-155.80111.6K233 E234 K239 K240 L241K233-K237 WeakPolarHBondContact O-CB 3.37Å; K233-K237 PolarHBondContact O-N 3.01Å; E234-K237 WeakPolarHBondContact O-CB 3.36Å; E234-K237 PolarHBondContact O-N 2.55Å; E234-K237 IonicContact OE1-NZ 3.48Å; E234-K237 PolarHBondContact OE1-NZ 3.49Å; E234-K237 WeakPolarHBondContact OE2-CD 3.2Å; E234-K237 IonicContact OE2-NZ 2.8Å; E234-K237 PolarHBondContact OE2-NZ 3.09Å; K237-K239 VanDerWaalsContact C-N 3.35Å; K237-K239 PolarHBondContact O-N 3.4Å; K237-K240 PolarHBondContact O-N 2.91Å; K237-L241 PolarHBondContact O-N 3.1Å
238Y98.5Very high97.7Very high6 Ų683 Ų832%0.02439%0.391CS..Hα-helixtrans-72-28.4-179.7-72.4-67.1000113H204 C207 L218 Y222 E234 L241 A242H204-Y238 PolarHBondContact NE2-OH 3.22Å; C207-Y238 VanDerWaalsContact SG-CD1 3.51Å; L218-Y238 HydrophobicContact CB-CG 4.45Å; L218-Y238 HydrophobicContact CD2-CD1 3.54Å; L218-Y238 HydrophobicContact CD2-CD2 3.8Å; L218-Y238 HydrophobicContact CD2-CE1 3.4Å; L218-Y238 VanDerWaalsContact CD2-CE1 3.4Å; L218-Y238 HydrophobicContact CD2-CE2 3.72Å; L218-Y238 HydrophobicContact CD2-CG 3.72Å; L218-Y238 VanDerWaalsContact CD2-CZ 3.5Å; L218-Y238 HydrophobicContact CG-CD1 4.35Å; L218-Y238 HydrophobicContact CG-CD2 3.96Å; L218-Y238 HydrophobicContact CG-CE2 4.19Å; L218-Y238 HydrophobicContact CG-CG 4.05Å; Y222-Y238 AromaticContact CD2-CD2 3.75Å; Y222-Y238 HydrophobicContact CD2-CD2 3.75Å; Y222-Y238 HydrophobicContact CD2-CE2 4.02Å; Y222-Y238 AromaticContact CE2-CD2 3.61Å; Y222-Y238 HydrophobicContact CE2-CD2 3.61Å; Y222-Y238 AromaticContact CE2-CE2 3.38Å; Y222-Y238 HydrophobicContact CE2-CE2 3.38Å; E234-Y238 HydrophobicContact CB-CD2 4.48Å; E234-Y238 HydrophobicContact CB-CE2 4.46Å; E234-Y238 WeakPolarHBondContact O-CD2 3.01Å; E234-Y238 PolarHBondContact O-N 3.38Å; E234-Y238 VanDerWaalsContact OE2-CE2 3.25Å; E234-Y238 WeakPolarHBondContact OE2-CE2 3.41Å; Y238-L241 HydrophobicContact CD1-CD2 4.18Å; Y238-L241 HydrophobicContact CE1-CD2 4.48Å; Y238-A242 WeakPolarHBondContact O-CB 3.45Å; Y238-A242 PolarHBondContact O-N 3.48Å
239K98.5Very high97.4Very high127 Ų12783 Ų8355%0.55239%0.393SS*.Hα-helixtrans-61.6-48169.5-175.5177.9177.2-178.50111S219 A235 E236 K237 A242 L243S219-K239 WeakPolarHBondContact OG-CB 3.17Å; A235-K239 WeakPolarHBondContact O-CB 3.34Å; A235-K239 PolarHBondContact O-N 2.99Å; E236-K239 WeakPolarHBondContact O-CB 3.49Å; E236-K239 PolarHBondContact O-N 3.47Å; K237-K239 VanDerWaalsContact C-N 3.35Å; K237-K239 PolarHBondContact O-N 3.4Å; K239-A242 PolarHBondContact O-N 3.4Å; K239-L243 HydrophobicContact CG-CD1 4.34Å; K239-L243 WeakPolarHBondContact O-CG 3Å; K239-L243 PolarHBondContact O-N 3.36Å; K239-L243 VanDerWaalsContact O-N 3.1Å
240K98.4Very high97.1Very high133 Ų13379.8 Ų79.858%0.57838%0.376SS*.Hα-helixtrans-61.2-45.9178.6-174.4-179.4178.1-167.10111E236 K237 A242 L243 E244E236-K240 WeakPolarHBondContact O-CB 3.42Å; E236-K240 PolarHBondContact O-N 2.91Å; K237-K240 PolarHBondContact O-N 2.91Å; K240-A242 VanDerWaalsContact C-N 3.32Å; K240-A242 PolarHBondContact O-N 3.32Å; K240-L243 PolarHBondContact O-N 2.91Å; K240-L243 VanDerWaalsContact O-N 3.15Å; K240-E244 WeakPolarHBondContact CE-OE1 3.48Å; K240-E244 HydrophobicContact CG-CG 4.47Å; K240-E244 IonicContact NZ-OE1 3.89Å; K240-E244 WeakPolarHBondContact O-CG 3.26Å; K240-E244 PolarHBondContact O-N 2.92Å
241L98Very high96.8Very high45 Ų4581.3 Ų81.324%0.23638%0.383CS..Hα-helixtrans-59.4-41177.3-177.658.5000112.5K237 Y238 E244 M245K237-L241 PolarHBondContact O-N 3.1Å; Y238-L241 HydrophobicContact CD1-CD2 4.18Å; Y238-L241 HydrophobicContact CE1-CD2 4.48Å; L241-E244 PolarHBondContact O-N 2.79Å; L241-M245 HydrophobicContact CG-CE 4.15Å; L241-M245 WeakPolarHBondContact O-CE 3.22Å; L241-M245 PolarHBondContact O-N 2.88Å; L241-M245 VanDerWaalsContact O-N 3.14Å
242A98.1Very high96.2Very high14 Ų1484.2 Ų84.212%0.11639%0.394CS..Hα-helixtrans-63.4-41.6175.300000112.6C215 A216 Y238 K239 K240 Q246C215-A242 HydrophobicContact CB-CB 3.97Å; A216-A242 HydrophobicContact CB-CB 4.24Å; Y238-A242 WeakPolarHBondContact O-CB 3.45Å; Y238-A242 PolarHBondContact O-N 3.48Å; K239-A242 PolarHBondContact O-N 3.4Å; K240-A242 VanDerWaalsContact C-N 3.32Å; K240-A242 PolarHBondContact O-N 3.32Å; A242-Q246 WeakPolarHBondContact O-CB 3.3Å; A242-Q246 PolarHBondContact O-N 2.04Å
243L97.6Very high95.3Very high83 Ų8384.6 Ų84.644%0.43540%0.396SS..Hα-helixtrans-67.5-40.4177.3-68.2171.3000112.2K239 K240 M245 Q246 D247K239-L243 HydrophobicContact CG-CD1 4.34Å; K239-L243 WeakPolarHBondContact O-CG 3Å; K239-L243 PolarHBondContact O-N 3.36Å; K239-L243 VanDerWaalsContact O-N 3.1Å; K240-L243 PolarHBondContact O-N 2.91Å; K240-L243 VanDerWaalsContact O-N 3.15Å; L243-M245 PolarHBondContact O-N 3.06Å; L243-Q246 WeakPolarHBondContact O-CB 3.16Å; L243-Q246 PolarHBondContact O-N 2.79Å; L243-D247 PolarHBondContact O-N 3.21Å
244E97.6Very high94.3Very high88 Ų8881.5 Ų81.541%0.41139%0.388SS..Hα-helixtrans-58.7-48175.3-74.5172.9177.500111.3K240 L241 Q246 D247 E248K240-E244 WeakPolarHBondContact CE-OE1 3.48Å; K240-E244 HydrophobicContact CG-CG 4.47Å; K240-E244 IonicContact NZ-OE1 3.89Å; K240-E244 WeakPolarHBondContact O-CG 3.26Å; K240-E244 PolarHBondContact O-N 2.92Å; L241-E244 PolarHBondContact O-N 2.79Å; E244-Q246 VanDerWaalsContact C-N 3.32Å; E244-Q246 PolarHBondContact O-N 3.31Å; E244-D247 PolarHBondContact O-N 2.89Å; E244-E248 WeakPolarHBondContact O-CG 3.13Å; E244-E248 PolarHBondContact O-N 3.2Å
245M96.8Very high93.1Very high8 Ų882.8 Ų82.84%0.03940%0.399CS..Hα-helixtrans-63.3-37.6175.4-71-173.3-71.900112.6R210 M212 C215 L241 L243 D247 E248 V249R210-M245 HydrophobicContact CB-SD 3.87Å; R210-M245 HydrophobicContact CG-SD 4.49Å; M212-M245 VanDerWaalsContact CA-CE 3.49Å; M212-M245 HydrophobicContact CB-CB 4.1Å; M212-M245 HydrophobicContact CB-CE 3.93Å; M212-M245 HydrophobicContact CB-SD 4.45Å; C215-M245 HydrophobicContact CB-CE 3.98Å; C215-M245 WeakPolarHBondContact SG-CE 3.37Å; L241-M245 HydrophobicContact CG-CE 4.15Å; L241-M245 WeakPolarHBondContact O-CE 3.22Å; L241-M245 PolarHBondContact O-N 2.88Å; L241-M245 VanDerWaalsContact O-N 3.14Å; L243-M245 PolarHBondContact O-N 3.06Å; M245-D247 VanDerWaalsContact C-N 3.3Å; M245-D247 PolarHBondContact O-N 2.9Å; M245-E248 PolarHBondContact O-N 3.38Å; M245-V249 WeakPolarHBondContact O-CG2 3.47Å; M245-V249 PolarHBondContact O-N 3.14Å
246Q94.5Very high91.3Very high87 Ų8786.8 Ų86.841%0.40742%0.419SS..Hα-helixtrans-62.5-40.6175.8-168.1-174.423.900111.4A242 L243 E244 V249 K250A242-Q246 WeakPolarHBondContact O-CB 3.3Å; A242-Q246 PolarHBondContact O-N 2.04Å; L243-Q246 WeakPolarHBondContact O-CB 3.16Å; L243-Q246 PolarHBondContact O-N 2.79Å; E244-Q246 VanDerWaalsContact C-N 3.32Å; E244-Q246 PolarHBondContact O-N 3.31Å; Q246-V249 PolarHBondContact O-N 3.32Å; Q246-K250 WeakPolarHBondContact O-CG 3.36Å; Q246-K250 PolarHBondContact O-N 3.27Å; Q246-K250 VanDerWaalsContact O-N 3.1Å
247D95.7Very high89.2Confident72 Ų7282.8 Ų82.839%0.38542%0.415SS..Hα-helixtrans-72.4-33.2178.4-71.9-16.3000112.5L243 E244 M245 K250 K251L243-D247 PolarHBondContact O-N 3.21Å; E244-D247 PolarHBondContact O-N 2.89Å; M245-D247 VanDerWaalsContact C-N 3.3Å; M245-D247 PolarHBondContact O-N 2.9Å; D247-K250 PolarHBondContact O-N 3.46Å; D247-K250 IonicContact OD1-NZ 2.89Å; D247-K250 PolarHBondContact OD1-NZ 3.22Å; D247-K251 WeakPolarHBondContact O-CG 3.42Å; D247-K251 PolarHBondContact O-N 2.94Å; D247-K251 VanDerWaalsContact O-N 3.09Å
248E94.4Very high86.7Confident87 Ų8786.3 Ų86.341%0.40743%0.43SS..Hα-helixtrans-59.1-47.9169-72.1170.1-171.900111.5R210 E244 M245 K250 K251 Q252R210-E248 IonicContact CZ-OE2 3.99Å; R210-E248 VanDerWaalsContact NH2-CD 3.25Å; R210-E248 IonicContact NH2-OE1 3.85Å; R210-E248 PolarHBondContact NH2-OE1 3.36Å; R210-E248 IonicContact NH2-OE2 2.69Å; R210-E248 PolarHBondContact NH2-OE2 3.04Å; E244-E248 WeakPolarHBondContact O-CG 3.13Å; E244-E248 PolarHBondContact O-N 3.2Å; M245-E248 PolarHBondContact O-N 3.38Å; E248-K250 PolarHBondContact O-N 2.88Å; E248-K251 PolarHBondContact O-N 3.32Å; E248-Q252 WeakPolarHBondContact O-CG 3.38Å; E248-Q252 PolarHBondContact O-N 3.01Å
249V91.3Very high84.2Confident57 Ų5792.2 Ų92.235%0.34546%0.458SS..Hα-helixtrans-60.3-44.5178.1170.70000111M245 Q246 K251 Q252 H253M245-V249 WeakPolarHBondContact O-CG2 3.47Å; M245-V249 PolarHBondContact O-N 3.14Å; Q246-V249 PolarHBondContact O-N 3.32Å; V249-K251 PolarHBondContact O-N 3.36Å; V249-Q252 PolarHBondContact O-N 3.41Å; V249-H253 PolarHBondContact O-CD2 3.07Å; V249-H253 VanDerWaalsContact O-CD2 3.27Å; V249-H253 PolarHBondContact O-N 3.2Å
250K91.7Very high81.7Confident99 Ų9994.1 Ų94.143%0.4347%0.469SS..Hα-helixtrans-58.4-48.3176.2-70.4172.2-164.2152.50112Q246 D247 E248 Q252 H253 D254Q246-K250 WeakPolarHBondContact O-CG 3.36Å; Q246-K250 PolarHBondContact O-N 3.27Å; Q246-K250 VanDerWaalsContact O-N 3.1Å; D247-K250 PolarHBondContact O-N 3.46Å; D247-K250 IonicContact OD1-NZ 2.89Å; D247-K250 PolarHBondContact OD1-NZ 3.22Å; E248-K250 PolarHBondContact O-N 2.88Å; K250-Q252 VanDerWaalsContact C-N 3.3Å; K250-Q252 PolarHBondContact O-N 3.49Å; K250-H253 WeakPolarHBondContact O-CB 3.3Å; K250-H253 PolarHBondContact O-N 3.12Å; K250-H253 VanDerWaalsContact O-N 3.14Å; K250-D254 PolarHBondContact O-N 3.22Å
251K91.9Very high78.9Confident145 Ų14590.9 Ų90.963%0.6347%0.473SS*.Hα-helixtrans-61.6-36.4179.1-71.3171.4-176.4174.10112.7D247 E248 V249 T255D247-K251 WeakPolarHBondContact O-CG 3.42Å; D247-K251 PolarHBondContact O-N 2.94Å; D247-K251 VanDerWaalsContact O-N 3.09Å; E248-K251 PolarHBondContact O-N 3.32Å; V249-K251 PolarHBondContact O-N 3.36Å; K251-T255 PolarHBondContact O-N 3.16Å; K251-T255 PolarHBondContact O-OG1 2.85Å
252Q85.5Confident76.2Confident125 Ų12593.9 Ų93.958%0.58449%0.493SS*.Hα-helixtrans-66.5-42.7174.7-73.1-179.9-13.500111.9E248 V249 K250 T255 L256E248-Q252 WeakPolarHBondContact O-CG 3.38Å; E248-Q252 PolarHBondContact O-N 3.01Å; V249-Q252 PolarHBondContact O-N 3.41Å; K250-Q252 VanDerWaalsContact C-N 3.3Å; K250-Q252 PolarHBondContact O-N 3.49Å; Q252-T255 PolarHBondContact O-N 3.34Å; Q252-L256 WeakPolarHBondContact O-CG 3.48Å; Q252-L256 PolarHBondContact O-N 3.26Å
253H79.4Confident73.4Confident129 Ų12995.7 Ų95.760%0.59751%0.513SS*.Hα-helixtrans-61.2-43.6174.8-86.6-78.3000112.3V249 K250 T255 L256 G257V249-H253 PolarHBondContact O-CD2 3.07Å; V249-H253 VanDerWaalsContact O-CD2 3.27Å; V249-H253 PolarHBondContact O-N 3.2Å; K250-H253 WeakPolarHBondContact O-CB 3.3Å; K250-H253 PolarHBondContact O-N 3.12Å; K250-H253 VanDerWaalsContact O-N 3.14Å; H253-T255 VanDerWaalsContact C-N 3.3Å; H253-T255 PolarHBondContact O-N 2.95Å; H253-L256 PolarHBondContact O-N 3.03Å; H253-G257 PolarHBondContact O-N 3.11Å
254D78.8Confident70.3Confident108 Ų10899.1 Ų99.158%0.57853%0.528SS*.Hα-helixtrans-60.3-42.2176-65.4-23.6000110.9K250 G257 F258K250-D254 PolarHBondContact O-N 3.22Å; D254-G257 PolarHBondContact O-N 2.9Å; D254-F258 WeakPolarHBondContact O-CD2 3.45Å; D254-F258 PolarHBondContact O-N 2.85Å
255T73.5Confident67.4Low76 Ų76100 Ų10047%0.46654%0.542SS..Hα-helixtrans-65.6-41.7178.4-53.80000112.5K251 Q252 H253 G257 F258 Q259K251-T255 PolarHBondContact O-N 3.16Å; K251-T255 PolarHBondContact O-OG1 2.85Å; Q252-T255 PolarHBondContact O-N 3.34Å; H253-T255 VanDerWaalsContact C-N 3.3Å; H253-T255 PolarHBondContact O-N 2.95Å; T255-G257 VanDerWaalsContact C-N 3.35Å; T255-F258 PolarHBondContact O-N 3.18Å; T255-Q259 PolarHBondContact O-N 2.9Å
256L60.1Low64.4Low91 Ų91111.1 Ų111.148%0.47660%0.601SS.*Hα-helixtrans-67.5-34.7177.4-74.5170.5000112.3Q252 H253 F258 Q259 Q260Q252-L256 WeakPolarHBondContact O-CG 3.48Å; Q252-L256 PolarHBondContact O-N 3.26Å; H253-L256 PolarHBondContact O-N 3.03Å; L256-F258 VanDerWaalsContact C-N 3.27Å; L256-F258 PolarHBondContact O-N 3.36Å; L256-Q259 PolarHBondContact O-N 3.27Å; L256-Q260 PolarHBondContact O-N 3.26Å
257G53.3Low62.9Low54 Ų54112.3 Ų112.356%0.55761%0.611SS**Hα-helixtrans-59.5-37171.400000112.6H253 D254 T255H253-G257 PolarHBondContact O-N 3.11Å; D254-G257 PolarHBondContact O-N 2.9Å; T255-G257 VanDerWaalsContact C-N 3.35Å
258F46.5Very low61.1Low179 Ų179114.4 Ų114.479%0.78562%0.623SS**Hα-helixtrans-73.8-37.6173.4-87.6-81.7000113.3D254 T255 L256 G261D254-F258 WeakPolarHBondContact O-CD2 3.45Å; D254-F258 PolarHBondContact O-N 2.85Å; T255-F258 PolarHBondContact O-N 3.18Å; L256-F258 VanDerWaalsContact C-N 3.27Å; L256-F258 PolarHBondContact O-N 3.36Å; F258-G261 PolarHBondContact O-N 3.49Å; F258-G261 VanDerWaalsContact O-N 3.14Å
259Q47.1Very low59.3Low130 Ų130115.9 Ų115.961%0.60764%0.635SS**Hα-helixtrans-73.6-27.4-178.1-73-173.5-12.700113.9T255 L256 G261 V262T255-Q259 PolarHBondContact O-N 2.9Å; L256-Q259 PolarHBondContact O-N 3.27Å; Q259-G261 PolarHBondContact O-N 2.84Å; Q259-V262 PolarHBondContact O-N 2.71Å
260Q44.4Very low57.4Low167 Ų167119.4 Ų119.478%0.7865%0.652SS**THydrogen-bonded Turntrans-68.9-6.4169.8-71.1-176.64.900113.3L256L256-Q260 PolarHBondContact O-N 3.26Å
261G41Very low55.3Low64 Ų64120.7 Ų120.766%0.6667%0.666SS**THydrogen-bonded Turntrans-79-5.9174.300000115.5F258 Q259 G263F258-G261 PolarHBondContact O-N 3.49Å; F258-G261 VanDerWaalsContact O-N 3.14Å; Q259-G261 PolarHBondContact O-N 2.84Å; G261-G263 PolarHBondContact O-N 2.92Å
262V41.1Very low52.8Low109 Ų109119.1 Ų119.166%0.66167%0.668SS**SBendtrans-81.478.9167.9-168.40000107.8Q259 M264Q259-V262 PolarHBondContact O-N 2.71Å; V262-M264 PolarHBondContact O-N 2.66Å
263G38.8Very low50.5Low51 Ų51118.6 Ų118.653%0.52667%0.674SS.*PPolyproline II helixtrans-59.9131.8-177.200000112.1G261 P265G261-G263 PolarHBondContact O-N 2.92Å; G263-P265 WeakPolarHBondContact O-CD 3.37Å
264M33Very low48.3Very low155 Ų155117.8 Ų117.876%0.76468%0.68SS**PPolyproline II helixtrans-74.4120.8157.7-66.9-169-53.400107.7V262V262-M264 PolarHBondContact O-N 2.66Å
265P37Very low45.7Very low108 Ų108118.7 Ų118.770%0.70169%0.689SS**PPolyproline II helixtrans-65.4142.3164.7-11.527.3000109.3G263G263-P265 WeakPolarHBondContact O-CD 3.37Å
266N32.7Very low43.2Very low240 Ų240122.5 Ų122.5100%1.28371%0.709SS**  trans-47.10170.3-90.8-16.4000113

Retrieved 266 of 266 residues in 229.3 ms (Link to these results)

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