A0A096MUA1_PAPAN Loading...

Ankyrin repeat and BTB/POZ domain-containing protein 1

May act as a mediator of the PTEN growth-suppressive signaling pathway. May play a role in developmental processes.

AlphaFold DB , UniProt , Accession A0A096MUA1, Species PAPAN (Papio anubis, Olive baboon), Gene ABTB1, Length 478 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
1M59.6Low85.6Confident159 Ų15953.4 Ų53.478%0.78329%0.289SS*.  0-43.70-74.1-174.8179.900112T3 S4 D5M1-T3 PolarHBondContact O-N 2.77Å; M1-S4 PolarHBondContact O-N 3.32Å; M1-D5 PolarHBondContact O-N 3.04Å; M1-D5 VanDerWaalsContact O-N 3.07Å
2D73.2Confident86.1Confident61 Ų6162.6 Ų62.633%0.32633%0.325SS..Hα-helixtrans-67.1-30.4-173.3-63.7-10.1000114.5D5 L6 L21 R25 V27D2-D5 PolarHBondContact O-N 3.03Å; D2-L6 WeakPolarHBondContact O-CB 3.26Å; D2-L6 PolarHBondContact O-N 2.9Å; D2-L21 HydrophobicContact CB-CD2 4.38Å; D2-R25 IonicContact OD2-NH1 3.2Å; D2-V27 HydrophobicContact CB-CG2 3.93Å
3T81.3Confident86.6Confident65 Ų6559.3 Ų59.340%0.39932%0.315SS..Hα-helixtrans-67.4-43.5172.751.30000112.2M1 D5 L6 F7 V27 V31M1-T3 PolarHBondContact O-N 2.77Å; T3-D5 VanDerWaalsContact C-N 3.3Å; T3-D5 PolarHBondContact O-N 3.2Å; T3-L6 WeakPolarHBondContact O-CB 3.5Å; T3-L6 PolarHBondContact O-N 3.43Å; T3-F7 WeakPolarHBondContact O-CD2 3.38Å; T3-F7 PolarHBondContact O-N 2.87Å; T3-V27 HydrophobicContact CG2-CG1 4.28Å; T3-V31 HydrophobicContact CG2-CB 4.45Å; T3-V31 HydrophobicContact CG2-CG1 4.07Å; T3-V31 HydrophobicContact CG2-CG2 4.41Å
4S84.6Confident87Confident82 Ų8260.8 Ų60.857%0.57332%0.323SS*.Hα-helixtrans-61.9-40.1174.8-172.50000111.4M1 F7 A8M1-S4 PolarHBondContact O-N 3.32Å; S4-F7 PolarHBondContact O-N 3.49Å; S4-A8 WeakPolarHBondContact O-CB 3.35Å; S4-A8 PolarHBondContact O-N 3.01Å
5D88.6Confident87.2Confident49 Ų4957.9 Ų57.926%0.26231%0.309SS..Hα-helixtrans-65.8-38.5174.9-165.121.2000112M1 D2 T3 A8 S9 R17 L21M1-D5 PolarHBondContact O-N 3.04Å; M1-D5 VanDerWaalsContact O-N 3.07Å; D2-D5 PolarHBondContact O-N 3.03Å; T3-D5 VanDerWaalsContact C-N 3.3Å; T3-D5 PolarHBondContact O-N 3.2Å; D5-A8 PolarHBondContact O-N 3.5Å; D5-S9 VanDerWaalsContact O-CB 3.24Å; D5-S9 WeakPolarHBondContact O-CB 3.41Å; D5-S9 PolarHBondContact O-N 3.15Å; D5-S9 PolarHBondContact O-OG 3.15Å; D5-R17 IonicContact OD2-CZ 3.24Å; D5-R17 VanDerWaalsContact OD2-CZ 3.25Å; D5-R17 IonicContact OD2-NE 2.87Å; D5-R17 PolarHBondContact OD2-NE 3.4Å; D5-R17 IonicContact OD2-NH2 3.72Å; D5-R17 PolarHBondContact OD2-NH2 3.34Å; D5-L21 HydrophobicContact CB-CD1 4.24Å
6L90.9Very high87Confident0 Ų057.2 Ų57.20%032%0.32CS..Hα-helixtrans-59.8-49.5173.2-179.663.6000111.1D2 T3 A8 S9 C10 V18 L21 L22 V27 V31 P39D2-L6 WeakPolarHBondContact O-CB 3.26Å; D2-L6 PolarHBondContact O-N 2.9Å; T3-L6 WeakPolarHBondContact O-CB 3.5Å; T3-L6 PolarHBondContact O-N 3.43Å; L6-A8 PolarHBondContact O-N 3.48Å; L6-S9 PolarHBondContact O-N 3.36Å; L6-C10 WeakPolarHBondContact O-CB 3.38Å; L6-C10 PolarHBondContact O-N 3.24Å; L6-C10 PolarHBondContact O-SG 3.05Å; L6-V18 HydrophobicContact CD1-CB 4.4Å; L6-V18 HydrophobicContact CD1-CG1 3.8Å; L6-V18 HydrophobicContact CD1-CG2 4.14Å; L6-L21 HydrophobicContact CB-CD1 4.05Å; L6-L21 HydrophobicContact CD1-CB 4.47Å; L6-L21 HydrophobicContact CD1-CD1 4.32Å; L6-L22 HydrophobicContact CD1-CD2 4.31Å; L6-L22 HydrophobicContact CD2-CD2 4.29Å; L6-V27 HydrophobicContact CD2-CG1 3.67Å; L6-V31 HydrophobicContact CD2-CG2 3.87Å; L6-P39 HydrophobicContact CD2-CB 4.27Å; L6-P39 HydrophobicContact CD2-CG 3.69Å; L6-P39 HydrophobicContact CG-CB 4.32Å; L6-P39 HydrophobicContact CG-CG 4.15Å
7F91.6Very high87.1Confident16 Ų1659.2 Ų59.27%0.0732%0.321CS..Hα-helixtrans-62.4-41.3177.4-67.8-63.6000112.4T3 S4 C10 R11 V31 D33 S37 P39 Y42T3-F7 WeakPolarHBondContact O-CD2 3.38Å; T3-F7 PolarHBondContact O-N 2.87Å; S4-F7 PolarHBondContact O-N 3.49Å; F7-C10 PolarHBondContact O-N 3.04Å; F7-R11 WeakPolarHBondContact O-CG 3.42Å; F7-R11 PolarHBondContact O-N 2.75Å; F7-R11 VanDerWaalsContact O-N 3.07Å; F7-V31 HydrophobicContact CE2-CG2 4.16Å; F7-V31 HydrophobicContact CZ-CB 4.49Å; F7-V31 HydrophobicContact CZ-CG2 3.79Å; F7-D33 HydrophobicContact CD2-CB 4.14Å; F7-D33 HydrophobicContact CE1-CB 4.16Å; F7-D33 HydrophobicContact CE2-CB 3.71Å; F7-D33 HydrophobicContact CZ-CB 3.71Å; F7-S37 WeakPolarHBondContact CE1-O 3.42Å; F7-P39 HydrophobicContact CD1-CG 4.3Å; F7-P39 HydrophobicContact CE1-CG 3.83Å; F7-P39 HydrophobicContact CZ-CG 4.41Å; F7-Y42 AromaticContact CD1-CD2 3.68Å; F7-Y42 HydrophobicContact CD1-CD2 3.68Å; F7-Y42 AromaticContact CD1-CE2 3.69Å; F7-Y42 HydrophobicContact CD1-CE2 3.69Å; F7-Y42 HydrophobicContact CE1-CD2 4.33Å; F7-Y42 HydrophobicContact CE1-CE2 4.2Å; F7-Y42 HydrophobicContact CG-CE2 4.44Å
8A91.3Very high87.1Confident37 Ų3755.9 Ų55.931%0.30630%0.303SS..Hα-helixtrans-64.3-42.317700000111.8S4 D5 L6 R11 K12S4-A8 WeakPolarHBondContact O-CB 3.35Å; S4-A8 PolarHBondContact O-N 3.01Å; D5-A8 PolarHBondContact O-N 3.5Å; L6-A8 PolarHBondContact O-N 3.48Å; A8-R11 PolarHBondContact O-N 3.26Å; A8-K12 WeakPolarHBondContact O-CG 3.39Å; A8-K12 PolarHBondContact O-N 3.06Å; A8-K12 VanDerWaalsContact O-N 3.09Å
9S93.3Very high86.8Confident5 Ų558.5 Ų58.54%0.03531%0.308CS..Hα-helixtrans-64.9-39.4176.7-59.30000111.3D5 L6 R11 K12 G13 D14 R17D5-S9 VanDerWaalsContact O-CB 3.24Å; D5-S9 WeakPolarHBondContact O-CB 3.41Å; D5-S9 PolarHBondContact O-N 3.15Å; D5-S9 PolarHBondContact O-OG 3.15Å; L6-S9 PolarHBondContact O-N 3.36Å; S9-R11 VanDerWaalsContact C-N 3.34Å; S9-R11 PolarHBondContact O-N 2.99Å; S9-K12 PolarHBondContact O-N 3.23Å; S9-G13 PolarHBondContact O-N 3.27Å; S9-D14 PolarHBondContact O-N 3.34Å; S9-D14 VanDerWaalsContact O-N 3.1Å; S9-R17 VanDerWaalsContact OG-CG 3.23Å; S9-R17 WeakPolarHBondContact OG-CG 3.44Å
10C94.4Very high86.3Confident0 Ų059.8 Ų59.80%031%0.309CS..Hα-helixtrans-66.2-32.6175.1-70.40000113.9L6 F7 H48 L51L6-C10 WeakPolarHBondContact O-CB 3.38Å; L6-C10 PolarHBondContact O-N 3.24Å; L6-C10 PolarHBondContact O-SG 3.05Å; F7-C10 PolarHBondContact O-N 3.04Å; C10-H48 PolarHBondContact O-CD2 3.08Å; C10-L51 HydrophobicContact CB-CD2 4.15Å
11R92.9Very high86Confident113 Ų11357 Ų5743%0.42630%0.295SS..Hα-helixtrans-70.4-36.9172.7-68.7173.4-168.5-164.84.3112.1F7 A8 S9 Y42 H48F7-R11 WeakPolarHBondContact O-CG 3.42Å; F7-R11 PolarHBondContact O-N 2.75Å; F7-R11 VanDerWaalsContact O-N 3.07Å; A8-R11 PolarHBondContact O-N 3.26Å; S9-R11 VanDerWaalsContact C-N 3.34Å; S9-R11 PolarHBondContact O-N 2.99Å; R11-Y42 HydrophobicContact CG-CD1 3.78Å; R11-Y42 HydrophobicContact CG-CE1 4.48Å; R11-Y42 HydrophobicContact CG-CG 4.08Å; R11-Y42 VanDerWaalsContact NH2-CZ 3.26Å; R11-Y42 PolarHBondContact NH2-OH 3.37Å; R11-H48 PolarHBondContact O-NE2 3.02Å
12K91.9Very high86.9Confident164 Ų16449.9 Ų49.971%0.71326%0.26SS*.Hα-helixtrans-77.5-24.6178.9-70.2176.2-178.2176.40113.6A8 S9 H48A8-K12 WeakPolarHBondContact O-CG 3.39Å; A8-K12 PolarHBondContact O-N 3.06Å; A8-K12 VanDerWaalsContact O-N 3.09Å; S9-K12 PolarHBondContact O-N 3.23Å; K12-H48 VanDerWaalsContact C-NE2 3.34Å; K12-H48 PolarHBondContact O-CE1 3.42Å
13G91.9Very high86.9Confident20 Ų2049.3 Ų49.321%0.20626%0.255CS..THydrogen-bonded Turntrans82.321.6-173.800000113.3S9 V15 H48S9-G13 PolarHBondContact O-N 3.27Å; G13-V15 PolarHBondContact O-N 3.41Å; G13-H48 WeakPolarHBondContact CA-CD2 3.42Å; G13-H48 VanDerWaalsContact CA-CG 3.43Å; G13-H48 PolarHBondContact N-CD2 2.94Å; G13-H48 PolarHBondContact N-NE2 2.99Å
14D92.1Very high86.2Confident80 Ų8050.2 Ų50.243%0.42826%0.255SS..  trans-78.284.6-178.1-170.1-19.5000110.9S9 G16 R17 V18S9-D14 PolarHBondContact O-N 3.34Å; S9-D14 VanDerWaalsContact O-N 3.1Å; D14-G16 PolarHBondContact O-N 2.89Å; D14-G16 PolarHBondContact OD1-N 3.36Å; D14-R17 HydrophobicContact CB-CB 4Å; D14-R17 PolarHBondContact O-N 3.08Å; D14-R17 WeakPolarHBondContact OD1-CB 3.2Å; D14-R17 PolarHBondContact OD1-N 3.08Å; D14-R17 WeakPolarHBondContact OD2-CB 3.43Å; D14-V18 WeakPolarHBondContact O-CG2 3.28Å; D14-V18 PolarHBondContact O-N 3.38Å
15V89.9Confident85.5Confident17 Ų1748.7 Ų48.710%0.10324%0.237CC..Hα-helixtrans-59.4-36.3-179.6-178.40000111.6G13 V18 R19 E50 L51 Y54G13-V15 PolarHBondContact O-N 3.41Å; V15-V18 PolarHBondContact O-N 3.01Å; V15-R19 HydrophobicContact CG1-CG 4.42Å; V15-R19 WeakPolarHBondContact O-CB 3.43Å; V15-R19 VanDerWaalsContact O-CG 3.27Å; V15-R19 WeakPolarHBondContact O-CG 3.47Å; V15-R19 PolarHBondContact O-N 3.13Å; V15-E50 HydrophobicContact CG2-CB 4.4Å; V15-E50 HydrophobicContact CG2-CG 4.17Å; V15-L51 HydrophobicContact CG2-CB 3.97Å; V15-L51 HydrophobicContact CG2-CD1 4.15Å; V15-Y54 HydrophobicContact CG1-CG 4.5Å
16G84Confident84.4Confident47 Ų4749.6 Ų49.649%0.48524%0.242SC..Hα-helixtrans-66.1-43.7179.500000112D14 R19 Y20D14-G16 PolarHBondContact O-N 2.89Å; D14-G16 PolarHBondContact OD1-N 3.36Å; G16-R19 WeakPolarHBondContact O-CB 3.4Å; G16-R19 PolarHBondContact O-N 3.04Å; G16-Y20 PolarHBondContact O-N 3.27Å
17R88.6Confident83.7Confident91 Ų9150.5 Ų50.534%0.34325%0.247SC..Hα-helixtrans-68.3-41.2175.9-171.163.4177.2166.91.3112.1D5 S9 D14 R19 Y20 L21D5-R17 IonicContact OD2-CZ 3.24Å; D5-R17 VanDerWaalsContact OD2-CZ 3.25Å; D5-R17 IonicContact OD2-NE 2.87Å; D5-R17 PolarHBondContact OD2-NE 3.4Å; D5-R17 IonicContact OD2-NH2 3.72Å; D5-R17 PolarHBondContact OD2-NH2 3.34Å; S9-R17 VanDerWaalsContact OG-CG 3.23Å; S9-R17 WeakPolarHBondContact OG-CG 3.44Å; D14-R17 HydrophobicContact CB-CB 4Å; D14-R17 PolarHBondContact O-N 3.08Å; D14-R17 WeakPolarHBondContact OD1-CB 3.2Å; D14-R17 PolarHBondContact OD1-N 3.08Å; D14-R17 WeakPolarHBondContact OD2-CB 3.43Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R17-Y20 WeakPolarHBondContact O-CB 3.46Å; R17-Y20 PolarHBondContact O-N 3.43Å; R17-L21 HydrophobicContact CG-CD1 4.23Å; R17-L21 VanDerWaalsContact O-CG 3.32Å; R17-L21 WeakPolarHBondContact O-CG 3.36Å; R17-L21 PolarHBondContact O-N 2.99Å
18V88.1Confident83Confident0 Ų055.4 Ų55.40%027%0.27CS..Hα-helixtrans-63.1-41.4175.4176.30000110.9L6 D14 V15 L21 L22 L51 Y54 L55L6-V18 HydrophobicContact CD1-CB 4.4Å; L6-V18 HydrophobicContact CD1-CG1 3.8Å; L6-V18 HydrophobicContact CD1-CG2 4.14Å; D14-V18 WeakPolarHBondContact O-CG2 3.28Å; D14-V18 PolarHBondContact O-N 3.38Å; V15-V18 PolarHBondContact O-N 3.01Å; V18-L21 PolarHBondContact O-N 3.48Å; V18-L22 HydrophobicContact CG1-CD1 4.06Å; V18-L22 HydrophobicContact CG1-CG 4.15Å; V18-L22 WeakPolarHBondContact O-CG 3.45Å; V18-L22 PolarHBondContact O-N 3.15Å; V18-L51 HydrophobicContact CB-CD1 3.88Å; V18-L51 HydrophobicContact CG1-CD1 3.91Å; V18-L51 HydrophobicContact CG2-CD1 3.89Å; V18-L51 HydrophobicContact CG2-CD2 4.4Å; V18-Y54 HydrophobicContact CG1-CD1 4.27Å; V18-Y54 HydrophobicContact CG1-CE1 4.04Å; V18-L55 HydrophobicContact CG1-CD2 4.06Å
19R81.5Confident82.6Confident106 Ų10654.4 Ų54.440%0.426%0.26SS..Hα-helixtrans-56.1-51.8171-80.7173.6-171.5-171.411.7111.5V15 G16 R17 L21 L22 E23 Y54V15-R19 HydrophobicContact CG1-CG 4.42Å; V15-R19 WeakPolarHBondContact O-CB 3.43Å; V15-R19 VanDerWaalsContact O-CG 3.27Å; V15-R19 WeakPolarHBondContact O-CG 3.47Å; V15-R19 PolarHBondContact O-N 3.13Å; G16-R19 WeakPolarHBondContact O-CB 3.4Å; G16-R19 PolarHBondContact O-N 3.04Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R19-L21 VanDerWaalsContact C-N 3.28Å; R19-L21 PolarHBondContact O-N 3.16Å; R19-L22 PolarHBondContact O-N 2.65Å; R19-E23 WeakPolarHBondContact O-CB 3.49Å; R19-E23 WeakPolarHBondContact O-CG 3.43Å; R19-E23 PolarHBondContact O-N 3.45Å; R19-Y54 WeakPolarHBondContact CA-OH 3.45Å; R19-Y54 HydrophobicContact CG-CD2 4.23Å; R19-Y54 HydrophobicContact CG-CE1 3.87Å; R19-Y54 HydrophobicContact CG-CE2 3.42Å; R19-Y54 VanDerWaalsContact CG-CE2 3.42Å; R19-Y54 VanDerWaalsContact CG-OH 3.3Å; R19-Y54 WeakPolarHBondContact CG-OH 3.33Å
20Y76.3Confident82.3Confident84 Ų8455.4 Ų55.433%0.32927%0.265SS..Hα-helixtrans-56-42.9177176.4-94.1000112.3G16 R17 Q24 R25G16-Y20 PolarHBondContact O-N 3.27Å; R17-Y20 WeakPolarHBondContact O-CB 3.46Å; R17-Y20 PolarHBondContact O-N 3.43Å; Y20-Q24 HydrophobicContact CD2-CB 3.86Å; Y20-Q24 HydrophobicContact CD2-CG 3.68Å; Y20-Q24 HydrophobicContact CE2-CB 3.83Å; Y20-Q24 HydrophobicContact CE2-CG 3.99Å; Y20-Q24 HydrophobicContact CG-CB 4.4Å; Y20-Q24 HydrophobicContact CG-CG 4.4Å; Y20-Q24 WeakPolarHBondContact O-CA 3.1Å; Y20-Q24 WeakPolarHBondContact O-CB 3.5Å; Y20-Q24 PolarHBondContact O-N 3.16Å; Y20-R25 HydrophobicContact CD1-CG 4.45Å; Y20-R25 HydrophobicContact CE1-CG 3.93Å; Y20-R25 PolarHBondContact O-N 3.27Å; Y20-R25 PolarHBondContact OH-NE 2.88Å; Y20-R25 VanDerWaalsContact OH-NE 3.11Å; Y20-R25 PolarHBondContact OH-NH2 3.24Å; Y20-R25 VanDerWaalsContact OH-NH2 3.16Å
21L80.3Confident81.8Confident0 Ų056.5 Ų56.50%027%0.272CS..Hα-helixtrans-69.4-45.1-179.2-69.3169.7000112.7D2 D5 L6 R17 V18 R19 R25 D26 V27D2-L21 HydrophobicContact CB-CD2 4.38Å; D5-L21 HydrophobicContact CB-CD1 4.24Å; L6-L21 HydrophobicContact CB-CD1 4.05Å; L6-L21 HydrophobicContact CD1-CB 4.47Å; L6-L21 HydrophobicContact CD1-CD1 4.32Å; R17-L21 HydrophobicContact CG-CD1 4.23Å; R17-L21 VanDerWaalsContact O-CG 3.32Å; R17-L21 WeakPolarHBondContact O-CG 3.36Å; R17-L21 PolarHBondContact O-N 2.99Å; V18-L21 PolarHBondContact O-N 3.48Å; R19-L21 VanDerWaalsContact C-N 3.28Å; R19-L21 PolarHBondContact O-N 3.16Å; L21-R25 HydrophobicContact CD2-CG 4.28Å; L21-R25 CarbonylContact O-C 3.46Å; L21-R25 WeakPolarHBondContact O-CA 3.23Å; L21-R25 WeakPolarHBondContact O-CB 2.97Å; L21-R25 PolarHBondContact O-N 3.12Å; L21-D26 PolarHBondContact O-N 3.43Å; L21-V27 HydrophobicContact CB-CG2 4.32Å; L21-V27 PolarHBondContact O-N 2.93Å
22L78.3Confident81.5Confident10 Ų1057 Ų575%0.05227%0.274CS..Hα-helixtrans-71.6-37.9178.7-62.2-173000111.9L6 V18 R19 V27 V29 Y54 L55 N58L6-L22 HydrophobicContact CD1-CD2 4.31Å; L6-L22 HydrophobicContact CD2-CD2 4.29Å; V18-L22 HydrophobicContact CG1-CD1 4.06Å; V18-L22 HydrophobicContact CG1-CG 4.15Å; V18-L22 WeakPolarHBondContact O-CG 3.45Å; V18-L22 PolarHBondContact O-N 3.15Å; R19-L22 PolarHBondContact O-N 2.65Å; L22-V27 WeakPolarHBondContact CD2-O 3.43Å; L22-V29 HydrophobicContact CD1-CB 4.44Å; L22-V29 HydrophobicContact CD1-CG2 4.01Å; L22-V29 HydrophobicContact CD2-CB 4.24Å; L22-V29 HydrophobicContact CD2-CG2 4.47Å; L22-Y54 HydrophobicContact CD1-CE1 3.77Å; L22-L55 HydrophobicContact CD1-CD2 4.14Å; L22-N58 HydrophobicContact CD1-CB 4.11Å
23E72.1Confident81.1Confident49 Ų4950.4 Ų50.423%0.22925%0.246CC..Hα-helixtrans-91.9-38.1-169.6-55.9175.6-17800113.3R19 Y54 Y100R19-E23 WeakPolarHBondContact O-CB 3.49Å; R19-E23 WeakPolarHBondContact O-CG 3.43Å; R19-E23 PolarHBondContact O-N 3.45Å; E23-Y54 PolarHBondContact OE1-OH 3.16Å; E23-Y100 WeakPolarHBondContact CA-OH 3.49Å; E23-Y100 HydrophobicContact CB-CE1 3.84Å; E23-Y100 HydrophobicContact CG-CE1 3.77Å
24Q68.6Low80.8Confident85 Ų8557.7 Ų57.740%0.39727%0.272SS..Hα-helixtrans-102.1-26-175.4-52.1-63.2-31.700112.9Y20Y20-Q24 HydrophobicContact CD2-CB 3.86Å; Y20-Q24 HydrophobicContact CD2-CG 3.68Å; Y20-Q24 HydrophobicContact CE2-CB 3.83Å; Y20-Q24 HydrophobicContact CE2-CG 3.99Å; Y20-Q24 HydrophobicContact CG-CB 4.4Å; Y20-Q24 HydrophobicContact CG-CG 4.4Å; Y20-Q24 WeakPolarHBondContact O-CA 3.1Å; Y20-Q24 WeakPolarHBondContact O-CB 3.5Å; Y20-Q24 PolarHBondContact O-N 3.16Å
25R68.2Low80.4Confident49 Ų4961.1 Ų61.119%0.18528%0.279CS..SBendtrans-107.5-3.6179.2-58.5-57.4-171.7115.20.5114.4D2 Y20 L21 V27D2-R25 IonicContact OD2-NH1 3.2Å; Y20-R25 HydrophobicContact CD1-CG 4.45Å; Y20-R25 HydrophobicContact CE1-CG 3.93Å; Y20-R25 PolarHBondContact O-N 3.27Å; Y20-R25 PolarHBondContact OH-NE 2.88Å; Y20-R25 VanDerWaalsContact OH-NE 3.11Å; Y20-R25 PolarHBondContact OH-NH2 3.24Å; Y20-R25 VanDerWaalsContact OH-NH2 3.16Å; L21-R25 HydrophobicContact CD2-CG 4.28Å; L21-R25 CarbonylContact O-C 3.46Å; L21-R25 WeakPolarHBondContact O-CA 3.23Å; L21-R25 WeakPolarHBondContact O-CB 2.97Å; L21-R25 PolarHBondContact O-N 3.12Å; R25-V27 HydrophobicContact CB-CG2 3.96Å; R25-V27 PolarHBondContact O-N 3.29Å
26D66.3Low80.1Confident69 Ų6963.5 Ų63.537%0.36929%0.292SS..  trans55.133.7178.8-155.936000113L21 E28L21-D26 PolarHBondContact O-N 3.43Å; D26-E28 PolarHBondContact O-N 3.33Å
27V77.1Confident80.3Confident18 Ų1861.4 Ų61.411%0.10927%0.269CS..  trans-69.5130.5177.4-176.20000109D2 T3 L6 L21 L22 R25 V29D2-V27 HydrophobicContact CB-CG2 3.93Å; T3-V27 HydrophobicContact CG2-CG1 4.28Å; L6-V27 HydrophobicContact CD2-CG1 3.67Å; L21-V27 HydrophobicContact CB-CG2 4.32Å; L21-V27 PolarHBondContact O-N 2.93Å; L22-V27 WeakPolarHBondContact CD2-O 3.43Å; R25-V27 HydrophobicContact CB-CG2 3.96Å; R25-V27 PolarHBondContact O-N 3.29Å; V27-V29 PolarHBondContact O-N 3.46Å
28E75.2Confident80.4Confident119 Ų11957.4 Ų57.456%0.55626%0.255SS*.  trans-62.8127.1-179.9-179.6176.7-169.400111.4D26 N30 V31D26-E28 PolarHBondContact O-N 3.33Å; E28-N30 PolarHBondContact O-N 2.9Å; E28-N30 VanDerWaalsContact O-N 3.14Å; E28-V31 HydrophobicContact CB-CG1 3.79Å; E28-V31 WeakPolarHBondContact O-CG1 3.48Å; E28-V31 WeakPolarHBondContact O-CG2 3.4Å; E28-V31 PolarHBondContact O-N 3.3Å
29V84.7Confident80.7Confident17 Ų1757.4 Ų57.410%0.10326%0.255CS..THydrogen-bonded Turntrans-63.8-22-177.673.20000113.6L22 V27 P39 L55 N58 A60L22-V29 HydrophobicContact CD1-CB 4.44Å; L22-V29 HydrophobicContact CD1-CG2 4.01Å; L22-V29 HydrophobicContact CD2-CB 4.24Å; L22-V29 HydrophobicContact CD2-CG2 4.47Å; V27-V29 PolarHBondContact O-N 3.46Å; V29-P39 WeakPolarHBondContact O-CG 3.4Å; V29-L55 HydrophobicContact CG2-CD2 3.78Å; V29-N58 WeakPolarHBondContact CG1-O 3.47Å; V29-N58 HydrophobicContact CG2-CB 4.28Å; V29-A60 HydrophobicContact CG2-CB 4.14Å
30N85.6Confident81.2Confident26 Ų2652.4 Ų52.414%0.13924%0.237CC..THydrogen-bonded Turntrans-107.319-177.1-65.4-60.5000113.3E28 G59 A60 R61E28-N30 PolarHBondContact O-N 2.9Å; E28-N30 VanDerWaalsContact O-N 3.14Å; N30-G59 PolarHBondContact ND2-O 3.43Å; N30-A60 WeakPolarHBondContact OD1-CA 3.41Å; N30-R61 PolarHBondContact OD1-N 3.06Å
31V85.2Confident82Confident23 Ų2350.1 Ų50.114%0.13923%0.228CC..  trans-54.4151.5173.5-72.20000111.9T3 L6 F7 E28 P39T3-V31 HydrophobicContact CG2-CB 4.45Å; T3-V31 HydrophobicContact CG2-CG1 4.07Å; T3-V31 HydrophobicContact CG2-CG2 4.41Å; L6-V31 HydrophobicContact CD2-CG2 3.87Å; F7-V31 HydrophobicContact CE2-CG2 4.16Å; F7-V31 HydrophobicContact CZ-CB 4.49Å; F7-V31 HydrophobicContact CZ-CG2 3.79Å; E28-V31 HydrophobicContact CB-CG1 3.79Å; E28-V31 WeakPolarHBondContact O-CG1 3.48Å; E28-V31 WeakPolarHBondContact O-CG2 3.4Å; E28-V31 PolarHBondContact O-N 3.3Å; V31-P39 HydrophobicContact CG2-CG 3.86Å; V31-P39 WeakPolarHBondContact O-CD 3.49Å
32R84.7Confident82.7Confident123 Ų12351 Ų5146%0.46423%0.231SC..  trans-114.4137.8179.5-72.9169.7164-135.9-2.3110D36 D68R32-D36 VanDerWaalsContact CD-OD1 3.25Å; R32-D36 WeakPolarHBondContact CD-OD1 3.45Å; R32-D36 IonicContact CZ-OD1 2.72Å; R32-D36 IonicContact CZ-OD2 3.07Å; R32-D36 IonicContact NE-OD1 3.52Å; R32-D36 IonicContact NH1-OD1 2.73Å; R32-D36 PolarHBondContact NH1-OD1 3.01Å; R32-D36 IonicContact NH1-OD2 3.5Å; R32-D36 PolarHBondContact NH1-OD2 2.99Å; R32-D68 IonicContact NH2-OD1 2.7Å; R32-D68 PolarHBondContact NH2-OD1 3Å; R32-D68 IonicContact NH2-OD2 3.5Å; R32-D68 PolarHBondContact NH2-OD2 3.45Å
33D85.4Confident83.5Confident25 Ų2550.5 Ų50.513%0.13423%0.228CC..  trans-85.3-178.8171.270.312.5000111.7F7 W35 D36 S37 Y42F7-D33 HydrophobicContact CD2-CB 4.14Å; F7-D33 HydrophobicContact CE1-CB 4.16Å; F7-D33 HydrophobicContact CE2-CB 3.71Å; F7-D33 HydrophobicContact CZ-CB 3.71Å; D33-W35 HydrophobicContact CB-CE3 4.48Å; D33-W35 PolarHBondContact O-N 2.52Å; D33-W35 VanDerWaalsContact OD1-C 3.28Å; D33-W35 VanDerWaalsContact OD1-CA 3.32Å; D33-W35 WeakPolarHBondContact OD1-CA 3.43Å; D33-W35 WeakPolarHBondContact OD1-CB 3.41Å; D33-W35 PolarHBondContact OD1-N 2.63Å; D33-D36 PolarHBondContact O-N 2.55Å; D33-D36 PolarHBondContact OD1-N 3.3Å; D33-S37 PolarHBondContact N-O 3.39Å; D33-S37 VanDerWaalsContact N-O 3.11Å; D33-S37 WeakPolarHBondContact OD1-CB 3.48Å; D33-S37 PolarHBondContact OD1-N 3.16Å; D33-Y42 WeakPolarHBondContact OD2-CE2 3.43Å; D33-Y42 VanDerWaalsContact OD2-CZ 3.29Å; D33-Y42 PolarHBondContact OD2-OH 2.94Å
34K85.3Confident84.6Confident174 Ų17448.2 Ų48.276%0.75722%0.218SC*.THydrogen-bonded Turntrans-62.6-10.1177.567.7-177.9-178.2-178.80115
35W83.6Confident85.8Confident151 Ų15147.6 Ų47.657%0.57222%0.217SC*.THydrogen-bonded Turntrans-108.719175.5-58.1-78.2000111.8D33 S37D33-W35 HydrophobicContact CB-CE3 4.48Å; D33-W35 PolarHBondContact O-N 2.52Å; D33-W35 VanDerWaalsContact OD1-C 3.28Å; D33-W35 VanDerWaalsContact OD1-CA 3.32Å; D33-W35 WeakPolarHBondContact OD1-CA 3.43Å; D33-W35 WeakPolarHBondContact OD1-CB 3.41Å; D33-W35 PolarHBondContact OD1-N 2.63Å; W35-S37 PolarHBondContact O-N 3.04Å; W35-S37 VanDerWaalsContact O-N 3.16Å; W35-S37 PolarHBondContact O-OG 3.28Å
36D82.3Confident86.9Confident68 Ų6847.5 Ų47.536%0.36422%0.223SC..SBendtrans56.828.5-178.3-151.739.8000113.3R32 D33R32-D36 VanDerWaalsContact CD-OD1 3.25Å; R32-D36 WeakPolarHBondContact CD-OD1 3.45Å; R32-D36 IonicContact CZ-OD1 2.72Å; R32-D36 IonicContact CZ-OD2 3.07Å; R32-D36 IonicContact NE-OD1 3.52Å; R32-D36 IonicContact NH1-OD1 2.73Å; R32-D36 PolarHBondContact NH1-OD1 3.01Å; R32-D36 IonicContact NH1-OD2 3.5Å; R32-D36 PolarHBondContact NH1-OD2 2.99Å; D33-D36 PolarHBondContact O-N 2.55Å; D33-D36 PolarHBondContact OD1-N 3.3Å
37S88.2Confident88.2Confident2 Ų245.2 Ų45.21%0.01422%0.216CC..  trans-99.7141.4-177.8-60.70000111.7F7 D33 W35 R71F7-S37 WeakPolarHBondContact CE1-O 3.42Å; D33-S37 PolarHBondContact N-O 3.39Å; D33-S37 VanDerWaalsContact N-O 3.11Å; D33-S37 WeakPolarHBondContact OD1-CB 3.48Å; D33-S37 PolarHBondContact OD1-N 3.16Å; W35-S37 PolarHBondContact O-N 3.04Å; W35-S37 VanDerWaalsContact O-N 3.16Å; W35-S37 PolarHBondContact O-OG 3.28Å; S37-R71 PolarHBondContact OG-NH2 2.95Å
38T91.3Very high89.1Confident8 Ų846.9 Ų46.95%0.04922%0.222CC..  trans-94.4158.7-179.562.20000112.1L40 Y41 Y42T38-L40 PolarHBondContact O-N 3.07Å; T38-Y41 WeakPolarHBondContact O-CB 3.44Å; T38-Y41 PolarHBondContact O-N 3.12Å; T38-Y41 VanDerWaalsContact O-N 3.13Å; T38-Y41 PolarHBondContact OG1-N 2.76Å; T38-Y42 WeakPolarHBondContact O-CD2 3.48Å; T38-Y42 PolarHBondContact O-N 2.93Å
39P93.8Very high89.9Confident0 Ų045.2 Ų45.20%022%0.215CC..Hα-helixtrans-55.8-38.9173.8-27.835.2000112.6L6 F7 V29 V31 Y41 Y42 A43 L55L6-P39 HydrophobicContact CD2-CB 4.27Å; L6-P39 HydrophobicContact CD2-CG 3.69Å; L6-P39 HydrophobicContact CG-CB 4.32Å; L6-P39 HydrophobicContact CG-CG 4.15Å; F7-P39 HydrophobicContact CD1-CG 4.3Å; F7-P39 HydrophobicContact CE1-CG 3.83Å; F7-P39 HydrophobicContact CZ-CG 4.41Å; V29-P39 WeakPolarHBondContact O-CG 3.4Å; V31-P39 HydrophobicContact CG2-CG 3.86Å; V31-P39 WeakPolarHBondContact O-CD 3.49Å; P39-Y41 VanDerWaalsContact C-N 3.34Å; P39-Y41 PolarHBondContact O-N 3.22Å; P39-Y42 PolarHBondContact O-N 3.18Å; P39-A43 PolarHBondContact O-N 3.13Å; P39-A43 VanDerWaalsContact O-N 3.14Å; P39-L55 HydrophobicContact CB-CD1 4.43Å; P39-L55 HydrophobicContact CB-CD2 4.48Å
40L93.5Very high90.1Very high1 Ų150.4 Ų50.41%0.00524%0.238CC..Hα-helixtrans-60.4-42.5176.8-178.266.1000111.9T38 Y42 A43 C44 V52 L55 L56 A60 C62 L85T38-L40 PolarHBondContact O-N 3.07Å; L40-Y42 VanDerWaalsContact C-N 3.33Å; L40-Y42 PolarHBondContact O-N 3.41Å; L40-A43 PolarHBondContact O-N 3.29Å; L40-C44 WeakPolarHBondContact O-CB 3.09Å; L40-C44 PolarHBondContact O-N 3.23Å; L40-C44 PolarHBondContact O-SG 2.84Å; L40-V52 HydrophobicContact CD1-CG1 4.11Å; L40-L55 HydrophobicContact CD1-CB 4Å; L40-L55 HydrophobicContact CD1-CD1 4.45Å; L40-L56 HydrophobicContact CD1-CD2 4.02Å; L40-L56 HydrophobicContact CD1-CG 3.99Å; L40-L56 HydrophobicContact CD2-CD2 3.68Å; L40-A60 HydrophobicContact CB-CB 4Å; L40-A60 HydrophobicContact CD1-CB 4.31Å; L40-A60 HydrophobicContact CD2-CB 3.88Å; L40-A60 HydrophobicContact CG-CB 4.28Å; L40-C62 HydrophobicContact CD2-CB 3.79Å; L40-L85 HydrophobicContact CD2-CD2 4.41Å
41Y93.3Very high90.5Very high36 Ų3649.2 Ų49.214%0.14123%0.231CC..Hα-helixtrans-57.8-45.3177.5169-106.4000111.8T38 P39 C44 L45 R71T38-Y41 WeakPolarHBondContact O-CB 3.44Å; T38-Y41 PolarHBondContact O-N 3.12Å; T38-Y41 VanDerWaalsContact O-N 3.13Å; T38-Y41 PolarHBondContact OG1-N 2.76Å; P39-Y41 VanDerWaalsContact C-N 3.34Å; P39-Y41 PolarHBondContact O-N 3.22Å; Y41-C44 PolarHBondContact O-N 3.31Å; Y41-L45 HydrophobicContact CE1-CD2 4.14Å; Y41-L45 VanDerWaalsContact O-CB 3.28Å; Y41-L45 WeakPolarHBondContact O-CB 3.35Å; Y41-L45 PolarHBondContact O-N 3.49Å; Y41-R71 HydrophobicContact CD2-CG 3.71Å; Y41-R71 VanDerWaalsContact CE1-NH2 3.31Å; Y41-R71 HydrophobicContact CE2-CG 3.69Å
42Y94.1Very high90.8Very high18 Ų1848.2 Ų48.27%0.07123%0.225CC..Hα-helixtrans-66.6-38.5178.7-73.8-69.3000113.1F7 R11 D33 T38 P39 L40 L45 C46F7-Y42 AromaticContact CD1-CD2 3.68Å; F7-Y42 HydrophobicContact CD1-CD2 3.68Å; F7-Y42 AromaticContact CD1-CE2 3.69Å; F7-Y42 HydrophobicContact CD1-CE2 3.69Å; F7-Y42 HydrophobicContact CE1-CD2 4.33Å; F7-Y42 HydrophobicContact CE1-CE2 4.2Å; F7-Y42 HydrophobicContact CG-CE2 4.44Å; R11-Y42 HydrophobicContact CG-CD1 3.78Å; R11-Y42 HydrophobicContact CG-CE1 4.48Å; R11-Y42 HydrophobicContact CG-CG 4.08Å; R11-Y42 VanDerWaalsContact NH2-CZ 3.26Å; R11-Y42 PolarHBondContact NH2-OH 3.37Å; D33-Y42 WeakPolarHBondContact OD2-CE2 3.43Å; D33-Y42 VanDerWaalsContact OD2-CZ 3.29Å; D33-Y42 PolarHBondContact OD2-OH 2.94Å; T38-Y42 WeakPolarHBondContact O-CD2 3.48Å; T38-Y42 PolarHBondContact O-N 2.93Å; P39-Y42 PolarHBondContact O-N 3.18Å; L40-Y42 VanDerWaalsContact C-N 3.33Å; L40-Y42 PolarHBondContact O-N 3.41Å; Y42-L45 PolarHBondContact O-N 3.02Å; Y42-C46 WeakPolarHBondContact O-CB 3.25Å; Y42-C46 PolarHBondContact O-N 2.85Å; Y42-C46 PolarHBondContact O-SG 3.25Å
43A95.1Very high90.9Very high0 Ų046.4 Ų46.40%022%0.224CC..Hα-helixtrans-63-42.6175.500000111.4P39 L40 G47 H48 L51 V52 L55P39-A43 PolarHBondContact O-N 3.13Å; P39-A43 VanDerWaalsContact O-N 3.14Å; L40-A43 PolarHBondContact O-N 3.29Å; A43-G47 PolarHBondContact O-N 3.4Å; A43-G47 VanDerWaalsContact O-N 3.11Å; A43-H48 PolarHBondContact O-N 3.23Å; A43-L51 HydrophobicContact CB-CB 4.46Å; A43-L51 HydrophobicContact CB-CD2 3.87Å; A43-L51 HydrophobicContact CB-CG 4.03Å; A43-V52 HydrophobicContact CB-CG2 3.78Å; A43-L55 HydrophobicContact CB-CD1 3.73Å
44C94.6Very high90.8Very high0 Ų046 Ų460%022%0.221CC..Hα-helixtrans-63.6-45.5174.8-67.50000112.1L40 Y41 G47 V52 G75 L77 I81L40-C44 WeakPolarHBondContact O-CB 3.09Å; L40-C44 PolarHBondContact O-N 3.23Å; L40-C44 PolarHBondContact O-SG 2.84Å; Y41-C44 PolarHBondContact O-N 3.31Å; C44-G47 PolarHBondContact O-N 3.02Å; C44-V52 HydrophobicContact CB-CG2 4.49Å; C44-G75 CarbonylContact C-O 3.48Å; C44-L77 PolarHBondContact O-N 2.8Å; C44-I81 HydrophobicContact CB-CG2 4.28Å
45L94Very high90.9Very high73 Ų7337.7 Ų37.738%0.38219%0.185SC..Hα-helixtrans-63.2-40.7-179.4-172.969.6000112.6Y41 Y42 G47 G75Y41-L45 HydrophobicContact CE1-CD2 4.14Å; Y41-L45 VanDerWaalsContact O-CB 3.28Å; Y41-L45 WeakPolarHBondContact O-CB 3.35Å; Y41-L45 PolarHBondContact O-N 3.49Å; Y42-L45 PolarHBondContact O-N 3.02Å; L45-G47 VanDerWaalsContact C-N 3.32Å; L45-G75 VanDerWaalsContact CA-O 3.25Å; L45-G75 WeakPolarHBondContact CA-O 3.48Å
46C92.7Very high90.9Very high47 Ų4730.6 Ų30.632%0.31816%0.158SC..Hα-helixtrans-85-7.3-179.5-57.50000113Y42 H48Y42-C46 WeakPolarHBondContact O-CB 3.25Å; Y42-C46 PolarHBondContact O-N 2.85Å; Y42-C46 PolarHBondContact O-SG 3.25Å; C46-H48 VanDerWaalsContact CB-CD2 3.44Å; C46-H48 WeakPolarHBondContact CB-CD2 3.37Å; C46-H48 WeakPolarHBondContact CB-NE2 3.46Å
47G93.2Very high90.5Very high21 Ų2129.6 Ų29.622%0.21616%0.159CC..THydrogen-bonded Turntrans81.922174.900000115.5A43 C44 L45 E49 I81A43-G47 PolarHBondContact O-N 3.4Å; A43-G47 VanDerWaalsContact O-N 3.11Å; C44-G47 PolarHBondContact O-N 3.02Å; L45-G47 VanDerWaalsContact C-N 3.32Å; G47-E49 PolarHBondContact O-N 3.09Å; G47-E49 VanDerWaalsContact O-N 3.1Å; G47-I81 VanDerWaalsContact C-CD1 3.44Å
48H95.2Very high89.7Confident53 Ų5331 Ų3125%0.24517%0.166CC..  trans-84.883.1-176.6-60.9-53.5000111.3C10 R11 K12 G13 A43 C46 E50 L51 V52C10-H48 PolarHBondContact O-CD2 3.08Å; R11-H48 PolarHBondContact O-NE2 3.02Å; K12-H48 VanDerWaalsContact C-NE2 3.34Å; K12-H48 PolarHBondContact O-CE1 3.42Å; G13-H48 WeakPolarHBondContact CA-CD2 3.42Å; G13-H48 VanDerWaalsContact CA-CG 3.43Å; G13-H48 PolarHBondContact N-CD2 2.94Å; G13-H48 PolarHBondContact N-NE2 2.99Å; A43-H48 PolarHBondContact O-N 3.23Å; C46-H48 VanDerWaalsContact CB-CD2 3.44Å; C46-H48 WeakPolarHBondContact CB-CD2 3.37Å; C46-H48 WeakPolarHBondContact CB-NE2 3.46Å; H48-E50 PolarHBondContact O-N 3.14Å; H48-L51 HydrophobicContact CB-CB 3.81Å; H48-L51 HydrophobicContact CB-CD2 4.42Å; H48-L51 PolarHBondContact O-N 3.16Å; H48-L51 VanDerWaalsContact O-N 3.17Å; H48-V52 WeakPolarHBondContact O-CG2 3.44Å; H48-V52 PolarHBondContact O-N 3.08Å
49E91.4Very high88.8Confident84 Ų8431.8 Ų31.839%0.39318%0.177SC..Hα-helixtrans-57.7-48.1-173.7-175.2176.4169.900113.5G47 L51 V52 L53 P80 I81G47-E49 PolarHBondContact O-N 3.09Å; G47-E49 VanDerWaalsContact O-N 3.1Å; E49-L51 VanDerWaalsContact C-N 3.26Å; E49-L51 PolarHBondContact O-N 3.45Å; E49-V52 PolarHBondContact O-N 2.76Å; E49-L53 HydrophobicContact CG-CD1 4.46Å; E49-L53 WeakPolarHBondContact O-CG 3.37Å; E49-L53 PolarHBondContact O-N 2.71Å; E49-P80 VanDerWaalsContact CD-CB 3.45Å; E49-P80 HydrophobicContact CG-CB 4.48Å; E49-P80 WeakPolarHBondContact OE1-CB 3.42Å; E49-P80 VanDerWaalsContact OE2-CB 3.27Å; E49-P80 WeakPolarHBondContact OE2-CB 3.41Å; E49-I81 HydrophobicContact CB-CD1 4.34Å; E49-I81 HydrophobicContact CB-CG1 3.98Å; E49-I81 HydrophobicContact CG-CG1 4.21Å
50E90.6Very high88.3Confident126 Ų12632 Ų3259%0.58918%0.178SC*.Hα-helixtrans-58.5-41.2177.8-172.8-174.1167.400111.4V15 H48 L53 Y54V15-E50 HydrophobicContact CG2-CB 4.4Å; V15-E50 HydrophobicContact CG2-CG 4.17Å; H48-E50 PolarHBondContact O-N 3.14Å; E50-L53 PolarHBondContact O-N 2.97Å; E50-Y54 WeakPolarHBondContact O-CB 3.39Å; E50-Y54 PolarHBondContact O-N 3.45Å
51L92.4Very high87.6Confident1 Ų139.1 Ų39.11%0.00521%0.205CC..Hα-helixtrans-70.2-38.7178.7-176.162000112.1C10 V15 V18 A43 H48 E49 Y54 L55C10-L51 HydrophobicContact CB-CD2 4.15Å; V15-L51 HydrophobicContact CG2-CB 3.97Å; V15-L51 HydrophobicContact CG2-CD1 4.15Å; V18-L51 HydrophobicContact CB-CD1 3.88Å; V18-L51 HydrophobicContact CG1-CD1 3.91Å; V18-L51 HydrophobicContact CG2-CD1 3.89Å; V18-L51 HydrophobicContact CG2-CD2 4.4Å; A43-L51 HydrophobicContact CB-CB 4.46Å; A43-L51 HydrophobicContact CB-CD2 3.87Å; A43-L51 HydrophobicContact CB-CG 4.03Å; H48-L51 HydrophobicContact CB-CB 3.81Å; H48-L51 HydrophobicContact CB-CD2 4.42Å; H48-L51 PolarHBondContact O-N 3.16Å; H48-L51 VanDerWaalsContact O-N 3.17Å; E49-L51 VanDerWaalsContact C-N 3.26Å; E49-L51 PolarHBondContact O-N 3.45Å; L51-Y54 HydrophobicContact CD1-CD1 4.34Å; L51-Y54 PolarHBondContact O-N 3.21Å; L51-L55 HydrophobicContact CD1-CD1 4.42Å; L51-L55 HydrophobicContact CD1-CG 4.24Å; L51-L55 HydrophobicContact CG-CD1 4.05Å; L51-L55 HydrophobicContact CG-CG 4.32Å; L51-L55 WeakPolarHBondContact O-CB 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 3.31Å
52V91.8Very high86.9Confident1 Ų137.9 Ų37.91%0.00620%0.202CC..Hα-helixtrans-59.8-48.9174.8168.30000110.1L40 A43 C44 H48 E49 Y54 L55 L56 I81 L85L40-V52 HydrophobicContact CD1-CG1 4.11Å; A43-V52 HydrophobicContact CB-CG2 3.78Å; C44-V52 HydrophobicContact CB-CG2 4.49Å; H48-V52 WeakPolarHBondContact O-CG2 3.44Å; H48-V52 PolarHBondContact O-N 3.08Å; E49-V52 PolarHBondContact O-N 2.76Å; V52-Y54 VanDerWaalsContact C-N 3.29Å; V52-Y54 PolarHBondContact O-N 2.95Å; V52-L55 PolarHBondContact O-N 3.11Å; V52-L56 HydrophobicContact CG1-CD1 3.79Å; V52-L56 HydrophobicContact CG1-CG 4.27Å; V52-L56 WeakPolarHBondContact O-CB 3.49Å; V52-L56 VanDerWaalsContact O-CG 3.24Å; V52-L56 WeakPolarHBondContact O-CG 3.48Å; V52-L56 PolarHBondContact O-N 3.31Å; V52-I81 HydrophobicContact CG1-CG2 4.24Å; V52-I81 HydrophobicContact CG2-CD1 4.3Å; V52-I81 HydrophobicContact CG2-CG1 4.39Å; V52-I81 HydrophobicContact CG2-CG2 4.22Å; V52-L85 HydrophobicContact CG1-CD2 4.23Å
53L87.1Confident86Confident86 Ų8641.2 Ų41.245%0.4522%0.218SC..Hα-helixtrans-60.2-42.2176.9-67.8175.2000111.3E49 E50 A57 A84E49-L53 HydrophobicContact CG-CD1 4.46Å; E49-L53 WeakPolarHBondContact O-CG 3.37Å; E49-L53 PolarHBondContact O-N 2.71Å; E50-L53 PolarHBondContact O-N 2.97Å; L53-A57 WeakPolarHBondContact O-CB 3.25Å; L53-A57 PolarHBondContact O-N 2.72Å; L53-A84 HydrophobicContact CD2-CB 3.88Å
54Y84.3Confident84.7Confident15 Ų1545 Ų456%0.05925%0.25CC..Hα-helixtrans-62.5-48.1176.2-179.9-97.1000112.1V15 V18 R19 L22 E23 E50 L51 V52 A57 N58V15-Y54 HydrophobicContact CG1-CG 4.5Å; V18-Y54 HydrophobicContact CG1-CD1 4.27Å; V18-Y54 HydrophobicContact CG1-CE1 4.04Å; R19-Y54 WeakPolarHBondContact CA-OH 3.45Å; R19-Y54 HydrophobicContact CG-CD2 4.23Å; R19-Y54 HydrophobicContact CG-CE1 3.87Å; R19-Y54 HydrophobicContact CG-CE2 3.42Å; R19-Y54 VanDerWaalsContact CG-CE2 3.42Å; R19-Y54 VanDerWaalsContact CG-OH 3.3Å; R19-Y54 WeakPolarHBondContact CG-OH 3.33Å; L22-Y54 HydrophobicContact CD1-CE1 3.77Å; E23-Y54 PolarHBondContact OE1-OH 3.16Å; E50-Y54 WeakPolarHBondContact O-CB 3.39Å; E50-Y54 PolarHBondContact O-N 3.45Å; L51-Y54 HydrophobicContact CD1-CD1 4.34Å; L51-Y54 PolarHBondContact O-N 3.21Å; V52-Y54 VanDerWaalsContact C-N 3.29Å; V52-Y54 PolarHBondContact O-N 2.95Å; Y54-A57 CarbonylContact O-C 3.57Å; Y54-A57 PolarHBondContact O-N 3.07Å; Y54-N58 WeakPolarHBondContact CD2-ND2 3.49Å; Y54-N58 WeakPolarHBondContact CE1-ND2 3.44Å; Y54-N58 WeakPolarHBondContact CE2-ND2 3.35Å; Y54-N58 PolarHBondContact O-N 3.23Å; Y54-N58 PolarHBondContact O-ND2 3.38Å
55L86.5Confident83.5Confident0 Ų052.1 Ų52.10%029%0.287CS..Hα-helixtrans-64-45.5179.8-73.8172.1000111.9V18 L22 V29 P39 L40 A43 L51 V52 A57 N58 G59 A60V18-L55 HydrophobicContact CG1-CD2 4.06Å; L22-L55 HydrophobicContact CD1-CD2 4.14Å; V29-L55 HydrophobicContact CG2-CD2 3.78Å; P39-L55 HydrophobicContact CB-CD1 4.43Å; P39-L55 HydrophobicContact CB-CD2 4.48Å; L40-L55 HydrophobicContact CD1-CB 4Å; L40-L55 HydrophobicContact CD1-CD1 4.45Å; A43-L55 HydrophobicContact CB-CD1 3.73Å; L51-L55 HydrophobicContact CD1-CD1 4.42Å; L51-L55 HydrophobicContact CD1-CG 4.24Å; L51-L55 HydrophobicContact CG-CD1 4.05Å; L51-L55 HydrophobicContact CG-CG 4.32Å; L51-L55 WeakPolarHBondContact O-CB 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 3.31Å; V52-L55 PolarHBondContact O-N 3.11Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-A57 PolarHBondContact O-N 3.41Å; L55-N58 CarbonylContact O-C 3.5Å; L55-N58 PolarHBondContact O-N 2.9Å; L55-G59 PolarHBondContact O-N 3.16Å; L55-A60 HydrophobicContact CB-CB 4.09Å; L55-A60 WeakPolarHBondContact O-CB 3.29Å; L55-A60 PolarHBondContact O-N 2.83Å
56L83.1Confident82.6Confident3 Ų350.8 Ų50.82%0.01628%0.282CS..Hα-helixtrans-55.9-51.4173.9-71.6174.6000110.2L40 V52 N58 G59 C62 L85 Y88L40-L56 HydrophobicContact CD1-CD2 4.02Å; L40-L56 HydrophobicContact CD1-CG 3.99Å; L40-L56 HydrophobicContact CD2-CD2 3.68Å; V52-L56 HydrophobicContact CG1-CD1 3.79Å; V52-L56 HydrophobicContact CG1-CG 4.27Å; V52-L56 WeakPolarHBondContact O-CB 3.49Å; V52-L56 VanDerWaalsContact O-CG 3.24Å; V52-L56 WeakPolarHBondContact O-CG 3.48Å; V52-L56 PolarHBondContact O-N 3.31Å; L56-N58 PolarHBondContact O-N 3.23Å; L56-N58 VanDerWaalsContact O-N 3.09Å; L56-G59 PolarHBondContact O-N 3.24Å; L56-C62 HydrophobicContact CD2-CB 3.69Å; L56-L85 HydrophobicContact CD1-CD2 4.04Å; L56-L85 HydrophobicContact CD2-CD2 4.17Å; L56-Y88 HydrophobicContact CB-CD2 3.96Å; L56-Y88 HydrophobicContact CB-CE1 4.41Å; L56-Y88 HydrophobicContact CB-CE2 3.7Å; L56-Y88 HydrophobicContact CB-CG 4.45Å; L56-Y88 HydrophobicContact CD1-CD2 4.1Å; L56-Y88 HydrophobicContact CD1-CG 4.14Å; L56-Y88 HydrophobicContact CD2-CD1 3.74Å; L56-Y88 HydrophobicContact CD2-CD2 4.36Å; L56-Y88 HydrophobicContact CD2-CE1 3.86Å; L56-Y88 HydrophobicContact CD2-CE2 4.5Å; L56-Y88 HydrophobicContact CD2-CG 3.99Å; L56-Y88 HydrophobicContact CG-CD2 4.37Å; L56-Y88 HydrophobicContact CG-CG 4.43Å; L56-Y88 PolarHBondContact O-OH 2.88Å
57A75.1Confident81.8Confident47 Ų4755 Ų5539%0.38830%0.295SS..Hα-helixtrans-67.7-9.2178.900000114.4L53 Y54 L55 R98L53-A57 WeakPolarHBondContact O-CB 3.25Å; L53-A57 PolarHBondContact O-N 2.72Å; Y54-A57 CarbonylContact O-C 3.57Å; Y54-A57 PolarHBondContact O-N 3.07Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-A57 PolarHBondContact O-N 3.41Å; A57-R98 PolarHBondContact O-NE 2.83Å; A57-R98 PolarHBondContact O-NH2 2.82Å
58N71.9Confident81.1Confident30 Ų3055.1 Ų55.116%0.1629%0.291CS..THydrogen-bonded Turntrans-100.913.5170.4-78.4-75.3000113.1L22 V29 Y54 L55 L56 R98L22-N58 HydrophobicContact CD1-CB 4.11Å; V29-N58 WeakPolarHBondContact CG1-O 3.47Å; V29-N58 HydrophobicContact CG2-CB 4.28Å; Y54-N58 WeakPolarHBondContact CD2-ND2 3.49Å; Y54-N58 WeakPolarHBondContact CE1-ND2 3.44Å; Y54-N58 WeakPolarHBondContact CE2-ND2 3.35Å; Y54-N58 PolarHBondContact O-N 3.23Å; Y54-N58 PolarHBondContact O-ND2 3.38Å; L55-N58 CarbonylContact O-C 3.5Å; L55-N58 PolarHBondContact O-N 2.9Å; L56-N58 PolarHBondContact O-N 3.23Å; L56-N58 VanDerWaalsContact O-N 3.09Å; N58-R98 PolarHBondContact ND2-NH1 2.86Å; N58-R98 VanDerWaalsContact ND2-NH1 3.13Å; N58-R98 PolarHBondContact ND2-NH2 3.44Å; N58-R98 WeakPolarHBondContact OD1-CD 3.38Å; N58-R98 PolarHBondContact OD1-NE 3.34Å; N58-R98 PolarHBondContact OD1-NH1 3.49Å
59G71.3Confident80.4Confident26 Ų2652.8 Ų52.827%0.26828%0.281SS..THydrogen-bonded Turntrans90.221.2173.800000114.6N30 L55 L56 R61N30-G59 PolarHBondContact ND2-O 3.43Å; L55-G59 PolarHBondContact O-N 3.16Å; L56-G59 PolarHBondContact O-N 3.24Å; G59-R61 PolarHBondContact O-N 3.23Å
60A83.3Confident80.1Confident3 Ų351.3 Ų51.33%0.02527%0.274CS..  trans-61.3130.3169.400000110.7V29 N30 L40 L55 C62V29-A60 HydrophobicContact CG2-CB 4.14Å; N30-A60 WeakPolarHBondContact OD1-CA 3.41Å; L40-A60 HydrophobicContact CB-CB 4Å; L40-A60 HydrophobicContact CD1-CB 4.31Å; L40-A60 HydrophobicContact CD2-CB 3.88Å; L40-A60 HydrophobicContact CG-CB 4.28Å; L55-A60 HydrophobicContact CB-CB 4.09Å; L55-A60 WeakPolarHBondContact O-CB 3.29Å; L55-A60 PolarHBondContact O-N 2.83Å; A60-C62 PolarHBondContact O-N 3.47Å
61R79.8Confident79.9Confident151 Ų15149.1 Ų49.157%0.5726%0.261SS*.  trans-73.7120.2-178.2-67.1176.9-170.6-176.15.4110.1N30 G59N30-R61 PolarHBondContact OD1-N 3.06Å; G59-R61 PolarHBondContact O-N 3.23Å
62C78.2Confident79.7Confident11 Ų1149.1 Ų49.17%0.07426%0.261CS..  trans-144.960.8175.9-173.60000110.4L40 L56 A60 L85 Y88L40-C62 HydrophobicContact CD2-CB 3.79Å; L56-C62 HydrophobicContact CD2-CB 3.69Å; A60-C62 PolarHBondContact O-N 3.47Å; C62-L85 HydrophobicContact CB-CD2 4.4Å; C62-L85 WeakPolarHBondContact SG-CD2 3.22Å; C62-Y88 HydrophobicContact CB-CD1 4.28Å
63E75.4Confident79.5Confident87 Ų8750.4 Ų50.441%0.40727%0.268SS..  trans-81.2132.8177.4-70.3178.2-168.800110.6T66 G69 Q90E63-T66 HydrophobicContact CB-CG2 3.53Å; E63-T66 PolarHBondContact O-N 3.36Å; E63-T66 PolarHBondContact O-OG1 2.72Å; E63-G69 WeakPolarHBondContact O-CA 3.48Å; E63-Q90 PolarHBondContact OE1-NE2 2.88Å
64A66.6Low79.4Confident81 Ų8155.4 Ų55.467%0.66928%0.282SS*.THydrogen-bonded Turntrans-60.3141.5175.400000111T66A64-T66 PolarHBondContact O-N 2.67Å
65N69.3Low79.4Confident148 Ų14855.3 Ų55.379%0.79129%0.285SS*.THydrogen-bonded Turntrans65.214.7-175.7-44.5-54.3000115.5E70N65-E70 PolarHBondContact N-OE1 3.12Å
66T75.5Confident79.7Confident45 Ų4555.6 Ų55.628%0.27629%0.287SS..SBendtrans-98.215516766.20000110.6E63 A64 D68 G69 E70E63-T66 HydrophobicContact CB-CG2 3.53Å; E63-T66 PolarHBondContact O-N 3.36Å; E63-T66 PolarHBondContact O-OG1 2.72Å; A64-T66 PolarHBondContact O-N 2.67Å; T66-D68 PolarHBondContact O-N 2.85Å; T66-G69 PolarHBondContact O-N 2.81Å; T66-G69 PolarHBondContact OG1-N 3.35Å; T66-G69 VanDerWaalsContact OG1-N 3.15Å; T66-E70 WeakPolarHBondContact O-CB 3.24Å; T66-E70 WeakPolarHBondContact O-CG 3.46Å; T66-E70 PolarHBondContact O-N 3.43Å
67F75.4Confident80Confident136 Ų13661.3 Ų61.360%0.59632%0.317SS*.Hα-helixtrans-52.9-44.6177.7-179.2-100.2000111.9R71F67-R71 WeakPolarHBondContact O-CB 3.24Å; F67-R71 PolarHBondContact O-N 2.96Å; F67-R71 VanDerWaalsContact O-N 3.13Å
68D78.3Confident80.7Confident24 Ų2460.6 Ų60.613%0.12831%0.31CS..Hα-helixtrans-69.9-44.4-179.3-65.6-34.2000112.2R32 T66 R71 C72R32-D68 IonicContact NH2-OD1 2.7Å; R32-D68 PolarHBondContact NH2-OD1 3Å; R32-D68 IonicContact NH2-OD2 3.5Å; R32-D68 PolarHBondContact NH2-OD2 3.45Å; T66-D68 PolarHBondContact O-N 2.85Å; D68-R71 PolarHBondContact O-N 3.29Å; D68-C72 PolarHBondContact O-N 3.47Å; D68-C72 PolarHBondContact O-SG 2.97Å
69G81.8Confident81.4Confident3 Ų364 Ų643%0.03133%0.327CS..Hα-helixtrans-66.1-45.2179.900000112.9E63 T66 R71 C72 L73E63-G69 WeakPolarHBondContact O-CA 3.48Å; T66-G69 PolarHBondContact O-N 2.81Å; T66-G69 PolarHBondContact OG1-N 3.35Å; T66-G69 VanDerWaalsContact OG1-N 3.15Å; G69-R71 VanDerWaalsContact C-N 3.34Å; G69-R71 PolarHBondContact O-N 3.44Å; G69-C72 PolarHBondContact O-N 3.49Å; G69-L73 WeakPolarHBondContact O-CB 3.33Å; G69-L73 PolarHBondContact O-N 2.83Å
70E83.6Confident82.2Confident53 Ų5364.6 Ų64.625%0.24833%0.327CS..Hα-helixtrans-61.8-44.3176.2-68.8-56.9133.100110.7N65 T66 C72 L73 Y74N65-E70 PolarHBondContact N-OE1 3.12Å; T66-E70 WeakPolarHBondContact O-CB 3.24Å; T66-E70 WeakPolarHBondContact O-CG 3.46Å; T66-E70 PolarHBondContact O-N 3.43Å; E70-C72 VanDerWaalsContact C-N 3.34Å; E70-C72 PolarHBondContact O-N 2.91Å; E70-L73 PolarHBondContact O-N 3.24Å; E70-L73 VanDerWaalsContact O-N 3.1Å; E70-Y74 HydrophobicContact CB-CD2 4.23Å; E70-Y74 HydrophobicContact CB-CE2 4.24Å; E70-Y74 WeakPolarHBondContact O-CB 3.5Å; E70-Y74 WeakPolarHBondContact O-CD2 3.36Å; E70-Y74 PolarHBondContact O-N 3.08Å
71R86.8Confident82.5Confident80 Ų8064.5 Ų64.530%0.30233%0.326SS..Hα-helixtrans-63.6-37.6179.9-171.1179.3159.789-1.5112.4S37 Y41 F67 D68 G69 G75S37-R71 PolarHBondContact OG-NH2 2.95Å; Y41-R71 HydrophobicContact CD2-CG 3.71Å; Y41-R71 VanDerWaalsContact CE1-NH2 3.31Å; Y41-R71 HydrophobicContact CE2-CG 3.69Å; F67-R71 WeakPolarHBondContact O-CB 3.24Å; F67-R71 PolarHBondContact O-N 2.96Å; F67-R71 VanDerWaalsContact O-N 3.13Å; D68-R71 PolarHBondContact O-N 3.29Å; G69-R71 VanDerWaalsContact C-N 3.34Å; G69-R71 PolarHBondContact O-N 3.44Å; R71-G75 PolarHBondContact O-N 3.47Å
72C88.7Confident82.9Confident1 Ų161 Ų611%0.00731%0.313CS..Hα-helixtrans-66.5-40.4171.7-67.60000112D68 G69 E70 G75 A76 L85D68-C72 PolarHBondContact O-N 3.47Å; D68-C72 PolarHBondContact O-SG 2.97Å; G69-C72 PolarHBondContact O-N 3.49Å; E70-C72 VanDerWaalsContact C-N 3.34Å; E70-C72 PolarHBondContact O-N 2.91Å; C72-G75 PolarHBondContact O-N 3.28Å; C72-A76 PolarHBondContact O-N 3.02Å; C72-L85 HydrophobicContact CB-CD1 4.21Å; C72-L85 HydrophobicContact CB-CD2 4.38Å; C72-L85 WeakPolarHBondContact O-CD1 3.4Å
73L88Confident83.2Confident29 Ų2967.7 Ų67.715%0.15234%0.336CS..Hα-helixtrans-69-42.2-179.4-16872.9000112.8G69 E70 A76 R82 L85 R86G69-L73 WeakPolarHBondContact O-CB 3.33Å; G69-L73 PolarHBondContact O-N 2.83Å; E70-L73 PolarHBondContact O-N 3.24Å; E70-L73 VanDerWaalsContact O-N 3.1Å; L73-A76 WeakPolarHBondContact O-CB 3.45Å; L73-R82 HydrophobicContact CD1-CG 3.66Å; L73-R82 HydrophobicContact CG-CG 4.38Å; L73-L85 HydrophobicContact CD1-CB 4.07Å; L73-L85 HydrophobicContact CD1-CD1 4.43Å; L73-R86 HydrophobicContact CD1-CG 3.78Å
74Y85.6Confident83.6Confident191 Ų19164.5 Ų64.575%0.74933%0.325SS*.Hα-helixtrans-68.4-38.4172.8-79-68.5000111.6E70 A76E70-Y74 HydrophobicContact CB-CD2 4.23Å; E70-Y74 HydrophobicContact CB-CE2 4.24Å; E70-Y74 WeakPolarHBondContact O-CB 3.5Å; E70-Y74 WeakPolarHBondContact O-CD2 3.36Å; E70-Y74 PolarHBondContact O-N 3.08Å; Y74-A76 VanDerWaalsContact C-N 3.29Å; Y74-A76 PolarHBondContact O-N 3.41Å
75G84.2Confident84.4Confident13 Ų1361 Ų6113%0.13430%0.295CS..Hα-helixtrans-72.8-16.217800000114.4C44 L45 R71 C72 L77C44-G75 CarbonylContact C-O 3.48Å; L45-G75 VanDerWaalsContact CA-O 3.25Å; L45-G75 WeakPolarHBondContact CA-O 3.48Å; R71-G75 PolarHBondContact O-N 3.47Å; C72-G75 PolarHBondContact O-N 3.28Å; G75-L77 PolarHBondContact O-N 3.2Å; G75-L77 VanDerWaalsContact O-N 3.11Å
76A91.3Very high85Confident5 Ų561.8 Ų61.84%0.04129%0.287CS..  trans-59.2114.5-176.400000112.5C72 L73 Y74 S78 I81 R82 L85C72-A76 PolarHBondContact O-N 3.02Å; L73-A76 WeakPolarHBondContact O-CB 3.45Å; Y74-A76 VanDerWaalsContact C-N 3.29Å; Y74-A76 PolarHBondContact O-N 3.41Å; A76-S78 VanDerWaalsContact C-N 3.32Å; A76-S78 PolarHBondContact O-N 3.11Å; A76-I81 HydrophobicContact CB-CB 4.27Å; A76-I81 HydrophobicContact CB-CG2 3.65Å; A76-R82 HydrophobicContact CB-CB 4.29Å; A76-R82 PolarHBondContact O-NH2 3.33Å; A76-L85 HydrophobicContact CB-CD1 4.12Å
77L89.4Confident84.9Confident124 Ų12465.6 Ų65.665%0.64931%0.305SS*.  trans-66.5-32.9-179.9-169.466.2000112.7C44 G75C44-L77 PolarHBondContact O-N 2.8Å; G75-L77 PolarHBondContact O-N 3.2Å; G75-L77 VanDerWaalsContact O-N 3.11Å
78S89.6Confident84.5Confident32 Ų3261 Ų6122%0.22429%0.285CS..SBendtrans-123.4149.3-171.7780000113A76 P80 I81 R82A76-S78 VanDerWaalsContact C-N 3.32Å; A76-S78 PolarHBondContact O-N 3.11Å; S78-P80 VanDerWaalsContact C-CD 3.5Å; S78-I81 PolarHBondContact O-N 2.91Å; S78-I81 VanDerWaalsContact OG-CD1 3.32Å; S78-I81 WeakPolarHBondContact OG-CD1 3.27Å; S78-I81 VanDerWaalsContact OG-CG1 3.26Å; S78-I81 WeakPolarHBondContact OG-CG1 3.32Å; S78-I81 PolarHBondContact OG-N 3.22Å; S78-R82 PolarHBondContact O-N 3.45Å
79D87Confident83.5Confident100 Ų10068.4 Ų68.454%0.53532%0.316SS..Hα-helixtrans-62.8-34.2175.7-75.3-39.7000114.5R82 R83D79-R82 PolarHBondContact O-N 2.83Å; D79-R82 IonicContact OD1-CZ 3.83Å; D79-R82 IonicContact OD1-NH1 2.67Å; D79-R82 PolarHBondContact OD1-NH1 2.89Å; D79-R83 WeakPolarHBondContact O-CB 3.49Å; D79-R83 WeakPolarHBondContact O-CG 3.08Å; D79-R83 PolarHBondContact O-N 3.09Å; D79-R83 PolarHBondContact O-NE 2.85Å
80P88.3Confident81.9Confident40 Ų4074.3 Ų74.326%0.2634%0.342SS..Hα-helixtrans-58.6-44.9169.8-2635.2000112.9E49 S78 R82 R83 A84E49-P80 VanDerWaalsContact CD-CB 3.45Å; E49-P80 HydrophobicContact CG-CB 4.48Å; E49-P80 WeakPolarHBondContact OE1-CB 3.42Å; E49-P80 VanDerWaalsContact OE2-CB 3.27Å; E49-P80 WeakPolarHBondContact OE2-CB 3.41Å; S78-P80 VanDerWaalsContact C-CD 3.5Å; P80-R82 VanDerWaalsContact C-N 3.35Å; P80-R82 PolarHBondContact O-N 3.12Å; P80-R83 PolarHBondContact O-N 3.01Å; P80-A84 WeakPolarHBondContact O-CB 3.45Å; P80-A84 PolarHBondContact O-N 3.22Å
81I89.3Confident79.9Confident0 Ų075.1 Ų75.10%035%0.351CS..Hα-helixtrans-62.4-44.3175.9-69.4169.7000110.2C44 G47 E49 V52 A76 S78 R83 A84 L85C44-I81 HydrophobicContact CB-CG2 4.28Å; G47-I81 VanDerWaalsContact C-CD1 3.44Å; E49-I81 HydrophobicContact CB-CD1 4.34Å; E49-I81 HydrophobicContact CB-CG1 3.98Å; E49-I81 HydrophobicContact CG-CG1 4.21Å; V52-I81 HydrophobicContact CG1-CG2 4.24Å; V52-I81 HydrophobicContact CG2-CD1 4.3Å; V52-I81 HydrophobicContact CG2-CG1 4.39Å; V52-I81 HydrophobicContact CG2-CG2 4.22Å; A76-I81 HydrophobicContact CB-CB 4.27Å; A76-I81 HydrophobicContact CB-CG2 3.65Å; S78-I81 PolarHBondContact O-N 2.91Å; S78-I81 VanDerWaalsContact OG-CD1 3.32Å; S78-I81 WeakPolarHBondContact OG-CD1 3.27Å; S78-I81 VanDerWaalsContact OG-CG1 3.26Å; S78-I81 WeakPolarHBondContact OG-CG1 3.32Å; S78-I81 PolarHBondContact OG-N 3.22Å; I81-R83 VanDerWaalsContact C-N 3.3Å; I81-R83 PolarHBondContact O-N 2.72Å; I81-A84 PolarHBondContact O-N 3.27Å; I81-L85 HydrophobicContact CG2-CD1 3.84Å; I81-L85 HydrophobicContact CG2-CG 4.26Å; I81-L85 VanDerWaalsContact O-CG 3.25Å; I81-L85 WeakPolarHBondContact O-CG 3.34Å; I81-L85 PolarHBondContact O-N 2.97Å
82R88.6Confident77.4Confident79 Ų7975 Ų7530%0.29836%0.359SS..Hα-helixtrans-61.9-37.7177.7-167.2176.2-68.81174.3112.5L73 A76 S78 D79 P80 R86L73-R82 HydrophobicContact CD1-CG 3.66Å; L73-R82 HydrophobicContact CG-CG 4.38Å; A76-R82 HydrophobicContact CB-CB 4.29Å; A76-R82 PolarHBondContact O-NH2 3.33Å; S78-R82 PolarHBondContact O-N 3.45Å; D79-R82 PolarHBondContact O-N 2.83Å; D79-R82 IonicContact OD1-CZ 3.83Å; D79-R82 IonicContact OD1-NH1 2.67Å; D79-R82 PolarHBondContact OD1-NH1 2.89Å; P80-R82 VanDerWaalsContact C-N 3.35Å; P80-R82 PolarHBondContact O-N 3.12Å; R82-R86 WeakPolarHBondContact O-CB 3.32Å; R82-R86 VanDerWaalsContact O-CG 3.32Å; R82-R86 WeakPolarHBondContact O-CG 3.24Å; R82-R86 PolarHBondContact O-N 2.79Å; R82-R86 VanDerWaalsContact O-N 3.17Å
83R84.8Confident74.9Confident150 Ų15079.4 Ų79.457%0.56640%0.395SS*.Hα-helixtrans-66.3-49.7172.3-80.4-179.1-83.7145.8-8.1111D79 P80 I81 L85 R86 D87D79-R83 WeakPolarHBondContact O-CB 3.49Å; D79-R83 WeakPolarHBondContact O-CG 3.08Å; D79-R83 PolarHBondContact O-N 3.09Å; D79-R83 PolarHBondContact O-NE 2.85Å; P80-R83 PolarHBondContact O-N 3.01Å; I81-R83 VanDerWaalsContact C-N 3.3Å; I81-R83 PolarHBondContact O-N 2.72Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 3.35Å; R83-R86 PolarHBondContact O-N 3.1Å; R83-R86 VanDerWaalsContact O-N 3.09Å; R83-D87 VanDerWaalsContact O-CB 3.3Å; R83-D87 WeakPolarHBondContact O-CB 3.22Å; R83-D87 VanDerWaalsContact O-CG 3.22Å; R83-D87 PolarHBondContact O-N 3.24Å
84A83.5Confident72.7Confident20 Ų2080.6 Ų80.617%0.16541%0.406CS..Hα-helixtrans-53.6-4717700000111.9L53 P80 I81 R86 Y88L53-A84 HydrophobicContact CD2-CB 3.88Å; P80-A84 WeakPolarHBondContact O-CB 3.45Å; P80-A84 PolarHBondContact O-N 3.22Å; I81-A84 PolarHBondContact O-N 3.27Å; A84-R86 PolarHBondContact O-N 3.47Å; A84-Y88 WeakPolarHBondContact O-CB 3.28Å; A84-Y88 PolarHBondContact O-N 2.77Å
85L84.4Confident70.5Confident8 Ų873.9 Ų73.94%0.04239%0.386CS..Hα-helixtrans-66-35.8178.2-64.2168000113.4L40 V52 L56 C62 C72 L73 A76 I81 R83L40-L85 HydrophobicContact CD2-CD2 4.41Å; V52-L85 HydrophobicContact CG1-CD2 4.23Å; L56-L85 HydrophobicContact CD1-CD2 4.04Å; L56-L85 HydrophobicContact CD2-CD2 4.17Å; C62-L85 HydrophobicContact CB-CD2 4.4Å; C62-L85 WeakPolarHBondContact SG-CD2 3.22Å; C72-L85 HydrophobicContact CB-CD1 4.21Å; C72-L85 HydrophobicContact CB-CD2 4.38Å; C72-L85 WeakPolarHBondContact O-CD1 3.4Å; L73-L85 HydrophobicContact CD1-CB 4.07Å; L73-L85 HydrophobicContact CD1-CD1 4.43Å; A76-L85 HydrophobicContact CB-CD1 4.12Å; I81-L85 HydrophobicContact CG2-CD1 3.84Å; I81-L85 HydrophobicContact CG2-CG 4.26Å; I81-L85 VanDerWaalsContact O-CG 3.25Å; I81-L85 WeakPolarHBondContact O-CG 3.34Å; I81-L85 PolarHBondContact O-N 2.97Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 3.35Å
86R80.2Confident68.3Low164 Ų16483.5 Ų83.562%0.61942%0.419SS*.Hα-helixtrans-75.4-38.5177.6-76.6177.4179.2-127.2-1.7112.8L73 R82 R83 A84L73-R86 HydrophobicContact CD1-CG 3.78Å; R82-R86 WeakPolarHBondContact O-CB 3.32Å; R82-R86 VanDerWaalsContact O-CG 3.32Å; R82-R86 WeakPolarHBondContact O-CG 3.24Å; R82-R86 PolarHBondContact O-N 2.79Å; R82-R86 VanDerWaalsContact O-N 3.17Å; R83-R86 PolarHBondContact O-N 3.1Å; R83-R86 VanDerWaalsContact O-N 3.09Å; A84-R86 PolarHBondContact O-N 3.47Å
87D74.7Confident66.2Low125 Ų12591.5 Ų91.567%0.66845%0.448SS*.Hα-helixtrans-76.1-18.3178.2-64.5-22.1000110.8R83 K89R83-D87 VanDerWaalsContact O-CB 3.3Å; R83-D87 WeakPolarHBondContact O-CB 3.22Å; R83-D87 VanDerWaalsContact O-CG 3.22Å; R83-D87 PolarHBondContact O-N 3.24Å; D87-K89 PolarHBondContact O-N 3.42Å
88Y67.3Low64.4Low41 Ų4189.7 Ų89.716%0.16143%0.432CS..  trans-7167170.1-158.6-101.8000111.8L56 C62 A84 Q90 V91L56-Y88 HydrophobicContact CB-CD2 3.96Å; L56-Y88 HydrophobicContact CB-CE1 4.41Å; L56-Y88 HydrophobicContact CB-CE2 3.7Å; L56-Y88 HydrophobicContact CB-CG 4.45Å; L56-Y88 HydrophobicContact CD1-CD2 4.1Å; L56-Y88 HydrophobicContact CD1-CG 4.14Å; L56-Y88 HydrophobicContact CD2-CD1 3.74Å; L56-Y88 HydrophobicContact CD2-CD2 4.36Å; L56-Y88 HydrophobicContact CD2-CE1 3.86Å; L56-Y88 HydrophobicContact CD2-CE2 4.5Å; L56-Y88 HydrophobicContact CD2-CG 3.99Å; L56-Y88 HydrophobicContact CG-CD2 4.37Å; L56-Y88 HydrophobicContact CG-CG 4.43Å; L56-Y88 PolarHBondContact O-OH 2.88Å; C62-Y88 HydrophobicContact CB-CD1 4.28Å; A84-Y88 WeakPolarHBondContact O-CB 3.28Å; A84-Y88 PolarHBondContact O-N 2.77Å; Y88-Q90 VanDerWaalsContact C-N 3.3Å; Y88-Q90 PolarHBondContact O-N 3.12Å; Y88-V91 HydrophobicContact CD2-CG2 4.23Å; Y88-V91 HydrophobicContact CE2-CG2 3.78Å
89K56Low63.2Low179 Ų17991.1 Ų91.178%0.77844%0.438SS*.  trans-76.489.6163.6-71.1-179.1-179.4176.90107D87 V91D87-K89 PolarHBondContact O-N 3.42Å; K89-V91 VanDerWaalsContact C-N 3.27Å; K89-V91 PolarHBondContact O-N 2.85Å
90Q49Very low62.5Low126 Ų12689.3 Ų89.359%0.58942%0.424SS*.  trans14.677.1168.3-165.8171.348.900110.4E63 Y88 T92E63-Q90 PolarHBondContact OE1-NE2 2.88Å; Y88-Q90 VanDerWaalsContact C-N 3.3Å; Y88-Q90 PolarHBondContact O-N 3.12Å; Q90-T92 PolarHBondContact O-N 3.38Å
91V40.8Very low62.4Low71 Ų7187.4 Ų87.443%0.4341%0.411SS..  trans-47.3116.5176.1-1770000103.6Y88 K89 C95Y88-V91 HydrophobicContact CD2-CG2 4.23Å; Y88-V91 HydrophobicContact CE2-CG2 3.78Å; K89-V91 VanDerWaalsContact C-N 3.27Å; K89-V91 PolarHBondContact O-N 2.85Å; V91-C95 VanDerWaalsContact CB-SG 3.51Å; V91-C95 WeakPolarHBondContact CG1-SG 3.45Å
92T33.8Very low62.1Low77 Ų7788.7 Ų88.747%0.47242%0.418SS..  trans2.6140.6-178.4430000115.5Q90 S94 C95Q90-T92 PolarHBondContact O-N 3.38Å; T92-S94 CarbonylContact O-C 3.59Å; T92-S94 WeakPolarHBondContact O-CA 3.19Å; T92-S94 PolarHBondContact O-N 3.09Å; T92-C95 PolarHBondContact O-N 2.97Å
93A38.1Very low61.7Low93 Ų9388.1 Ų88.177%0.76942%0.421SS*.THydrogen-bonded Turntrans-46.8-7.9171.300000116.1
94S40.3Very low61.8Low55 Ų5581.3 Ų81.339%0.38540%0.396SS..THydrogen-bonded Turntrans-72.1-19.1165.9179.30000116.7T92 R96T92-S94 CarbonylContact O-C 3.59Å; T92-S94 WeakPolarHBondContact O-CA 3.19Å; T92-S94 PolarHBondContact O-N 3.09Å; S94-R96 PolarHBondContact O-N 3.31Å
95C39.2Very low62.2Low49 Ų4980.4 Ų80.433%0.33139%0.388SS..  trans-70.55173.3-73.20000113.8V91 T92 R97V91-C95 VanDerWaalsContact CB-SG 3.51Å; V91-C95 WeakPolarHBondContact CG1-SG 3.45Å; T92-C95 PolarHBondContact O-N 2.97Å; C95-R97 PolarHBondContact O-N 3.33Å; C95-R97 VanDerWaalsContact O-N 3.12Å
96R39.4Very low62.4Low216 Ų21682.2 Ų82.282%0.81540%0.396SS*.SBendtrans-75.698.4170.4-80.1-179.5163178.1-3.4108.7S94S94-R96 PolarHBondContact O-N 3.31Å
97R45.8Very low62.7Low172 Ų17279.1 Ų79.165%0.64938%0.384SS*.  trans82.1106.1-177.1-55.9174.8-178.8164.84.4111C95 D99C95-R97 PolarHBondContact O-N 3.33Å; C95-R97 VanDerWaalsContact O-N 3.12Å; R97-D99 VanDerWaalsContact C-N 3.26Å; R97-D99 PolarHBondContact O-N 2.88Å
98R52.5Low63.5Low86 Ų8673.6 Ų73.633%0.32536%0.355SS..  trans-55.8105.4148.3-70.9177.9-179.7-170.5-6.8105.2A57 N58 Y100A57-R98 PolarHBondContact O-NE 2.83Å; A57-R98 PolarHBondContact O-NH2 2.82Å; N58-R98 PolarHBondContact ND2-NH1 2.86Å; N58-R98 VanDerWaalsContact ND2-NH1 3.13Å; N58-R98 PolarHBondContact ND2-NH2 3.44Å; N58-R98 WeakPolarHBondContact OD1-CD 3.38Å; N58-R98 PolarHBondContact OD1-NE 3.34Å; N58-R98 PolarHBondContact OD1-NH1 3.49Å; R98-Y100 VanDerWaalsContact C-N 3.27Å; R98-Y100 PolarHBondContact O-N 3.03Å
99D63.8Low64.7Low62 Ų6273 Ų7333%0.33235%0.354SS..  trans-63.8102.2165.3-83.5-24.4000105R97 Y101 D102 D103 R238R97-D99 VanDerWaalsContact C-N 3.26Å; R97-D99 PolarHBondContact O-N 2.88Å; D99-Y101 PolarHBondContact O-N 3.31Å; D99-D102 HydrophobicContact CB-CB 4.26Å; D99-D102 WeakPolarHBondContact O-CB 3.38Å; D99-D102 PolarHBondContact O-N 3.26Å; D99-D103 PolarHBondContact O-N 3.24Å; D99-R238 IonicContact OD1-NH2 3.08Å; D99-R238 IonicContact OD2-NH2 2.72Å; D99-R238 PolarHBondContact OD2-NH2 3.5Å
100Y73.3Confident66.2Low63 Ų6370.8 Ų70.825%0.24735%0.347CS..Hα-helixtrans-49.8-26.1-179.8-76-83.9000112.1E23 R98 F104E23-Y100 WeakPolarHBondContact CA-OH 3.49Å; E23-Y100 HydrophobicContact CB-CE1 3.84Å; E23-Y100 HydrophobicContact CG-CE1 3.77Å; R98-Y100 VanDerWaalsContact C-N 3.27Å; R98-Y100 PolarHBondContact O-N 3.03Å; Y100-F104 WeakPolarHBondContact O-CB 3.42Å; Y100-F104 PolarHBondContact O-N 3.28Å
101Y85.3Confident68Low0 Ų069.9 Ų69.90%034%0.343CS..Hα-helixtrans-69.3-45.7174.3-166.9-120.9000113.9D99 D103 F104 L105 R238 Y338 D340D99-Y101 PolarHBondContact O-N 3.31Å; Y101-D103 VanDerWaalsContact C-N 3.32Å; Y101-D103 PolarHBondContact O-N 3.34Å; Y101-F104 AromaticContact CD2-CD1 3.74Å; Y101-F104 HydrophobicContact CD2-CD1 3.74Å; Y101-F104 HydrophobicContact CD2-CE1 4.28Å; Y101-F104 AromaticContact CE2-CD1 3.65Å; Y101-F104 HydrophobicContact CE2-CD1 3.65Å; Y101-F104 AromaticContact CE2-CE1 3.71Å; Y101-F104 HydrophobicContact CE2-CE1 3.71Å; Y101-F104 WeakPolarHBondContact O-CB 3.42Å; Y101-F104 PolarHBondContact O-N 3.1Å; Y101-L105 HydrophobicContact CD1-CD1 3.97Å; Y101-L105 HydrophobicContact CE1-CD1 3.54Å; Y101-L105 HydrophobicContact CE1-CG 4.36Å; Y101-L105 HydrophobicContact CE2-CD1 4.48Å; Y101-L105 HydrophobicContact CE2-CG 4.47Å; Y101-L105 WeakPolarHBondContact O-CG 3.27Å; Y101-L105 PolarHBondContact O-N 2.73Å; Y101-R238 HydrophobicContact CD1-CG 4.24Å; Y101-R238 HydrophobicContact CE1-CG 4.2Å; Y101-Y338 VanDerWaalsContact CZ-O 3.31Å; Y101-Y338 PolarHBondContact OH-O 2.9Å; Y101-D340 HydrophobicContact CD1-CB 3.98Å; Y101-D340 HydrophobicContact CD2-CB 3.83Å; Y101-D340 HydrophobicContact CG-CB 3.53Å
102D83.2Confident70.3Confident27 Ų2766.9 Ų66.914%0.14433%0.326CS..Hα-helixtrans-62.5-42.5176.6-68.94.4000110.8D99 F104 L105 Q106D99-D102 HydrophobicContact CB-CB 4.26Å; D99-D102 WeakPolarHBondContact O-CB 3.38Å; D99-D102 PolarHBondContact O-N 3.26Å; D102-F104 VanDerWaalsContact C-N 3.33Å; D102-F104 PolarHBondContact O-N 2.61Å; D102-L105 PolarHBondContact O-N 3.43Å; D102-Q106 WeakPolarHBondContact O-CB 3.41Å; D102-Q106 PolarHBondContact O-N 3.07Å
103D80.9Confident72.8Confident67 Ų6767.1 Ų67.136%0.35832%0.323SS..Hα-helixtrans-63.3-39.5175.4179.181.5000111.8D99 Y101 Q106 R107D99-D103 PolarHBondContact O-N 3.24Å; Y101-D103 VanDerWaalsContact C-N 3.32Å; Y101-D103 PolarHBondContact O-N 3.34Å; D103-Q106 PolarHBondContact O-N 3.42Å; D103-R107 WeakPolarHBondContact O-CB 3.49Å; D103-R107 WeakPolarHBondContact O-CG 3.32Å; D103-R107 PolarHBondContact O-N 2.67Å; D103-R107 IonicContact OD2-CZ 2.76Å; D103-R107 IonicContact OD2-NE 3.45Å; D103-R107 PolarHBondContact OD2-NE 3.21Å; D103-R107 IonicContact OD2-NH2 3.71Å; D103-R107 PolarHBondContact OD2-NH2 3.26Å
104F87.3Confident75.3Confident7 Ų765.1 Ų65.13%0.03130%0.298CS..Hα-helixtrans-59.7-48.9172150.3-105000111.6Y100 Y101 D102 Q106 R107 L108 F289 R293Y100-F104 WeakPolarHBondContact O-CB 3.42Å; Y100-F104 PolarHBondContact O-N 3.28Å; Y101-F104 AromaticContact CD2-CD1 3.74Å; Y101-F104 HydrophobicContact CD2-CD1 3.74Å; Y101-F104 HydrophobicContact CD2-CE1 4.28Å; Y101-F104 AromaticContact CE2-CD1 3.65Å; Y101-F104 HydrophobicContact CE2-CD1 3.65Å; Y101-F104 AromaticContact CE2-CE1 3.71Å; Y101-F104 HydrophobicContact CE2-CE1 3.71Å; Y101-F104 WeakPolarHBondContact O-CB 3.42Å; Y101-F104 PolarHBondContact O-N 3.1Å; D102-F104 VanDerWaalsContact C-N 3.33Å; D102-F104 PolarHBondContact O-N 2.61Å; F104-Q106 VanDerWaalsContact C-N 3.33Å; F104-Q106 PolarHBondContact O-N 3.2Å; F104-R107 PolarHBondContact O-N 2.85Å; F104-L108 HydrophobicContact CE2-CB 4.33Å; F104-L108 HydrophobicContact CE2-CD2 4.26Å; F104-L108 HydrophobicContact CZ-CD2 3.91Å; F104-L108 WeakPolarHBondContact O-CB 3.42Å; F104-L108 PolarHBondContact O-N 2.9Å; F104-F289 AromaticContact CE1-CD1 3.84Å; F104-F289 HydrophobicContact CE1-CD1 3.84Å; F104-F289 AromaticContact CE1-CE1 3.95Å; F104-F289 HydrophobicContact CE1-CE1 3.95Å; F104-F289 AromaticContact CZ-CD1 3.79Å; F104-F289 HydrophobicContact CZ-CD1 3.79Å; F104-F289 HydrophobicContact CZ-CE1 4.18Å; F104-F289 HydrophobicContact CZ-CG 4.18Å; F104-R293 HydrophobicContact CD1-CG 4.13Å; F104-R293 HydrophobicContact CD2-CG 4.09Å; F104-R293 HydrophobicContact CE1-CG 3.99Å; F104-R293 HydrophobicContact CE2-CG 4Å; F104-R293 HydrophobicContact CG-CG 4.16Å; F104-R293 HydrophobicContact CZ-CG 3.94Å
105L91.8Very high77.9Confident0 Ų064.1 Ų64.10%029%0.291CS..Hα-helixtrans-65.2-37.6-179.1-69.9170.8000112Y101 D102 L108 L109 Y174 T175 L237 M241 F289Y101-L105 HydrophobicContact CD1-CD1 3.97Å; Y101-L105 HydrophobicContact CE1-CD1 3.54Å; Y101-L105 HydrophobicContact CE1-CG 4.36Å; Y101-L105 HydrophobicContact CE2-CD1 4.48Å; Y101-L105 HydrophobicContact CE2-CG 4.47Å; Y101-L105 WeakPolarHBondContact O-CG 3.27Å; Y101-L105 PolarHBondContact O-N 2.73Å; D102-L105 PolarHBondContact O-N 3.43Å; L105-L108 HydrophobicContact CD2-CD2 4.48Å; L105-L108 WeakPolarHBondContact O-CB 2.93Å; L105-L108 PolarHBondContact O-N 2.82Å; L105-L109 PolarHBondContact O-N 3.31Å; L105-L109 VanDerWaalsContact O-N 3.13Å; L105-Y174 WeakPolarHBondContact CB-O 3.5Å; L105-Y174 VanDerWaalsContact CD1-O 3.31Å; L105-Y174 WeakPolarHBondContact CD1-O 3.24Å; L105-T175 HydrophobicContact CB-CG2 4.31Å; L105-L237 HydrophobicContact CD1-CD1 4.18Å; L105-L237 HydrophobicContact CD1-CD2 3.92Å; L105-L237 HydrophobicContact CD1-CG 4.3Å; L105-M241 HydrophobicContact CD1-CE 4.34Å; L105-M241 HydrophobicContact CD2-CE 4Å; L105-F289 HydrophobicContact CD2-CE1 4.27Å; L105-F289 HydrophobicContact CD2-CZ 4.41Å
106Q88.4Confident80.4Confident46 Ų4664.4 Ų64.422%0.21529%0.289CS..Hα-helixtrans-61.1-50.6172.8-175.367.624.500110.8D102 D103 F104 L108 L109 E110 T175D102-Q106 WeakPolarHBondContact O-CB 3.41Å; D102-Q106 PolarHBondContact O-N 3.07Å; D103-Q106 PolarHBondContact O-N 3.42Å; F104-Q106 VanDerWaalsContact C-N 3.33Å; F104-Q106 PolarHBondContact O-N 3.2Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 3.46Å; Q106-L109 PolarHBondContact O-N 2.87Å; Q106-E110 PolarHBondContact NE2-OE1 2.94Å; Q106-E110 WeakPolarHBondContact O-CG 3.23Å; Q106-E110 PolarHBondContact O-N 3.3Å; Q106-T175 HydrophobicContact CB-CG2 3.98Å; Q106-T175 VanDerWaalsContact OE1-CG2 3.25Å
107R85.9Confident83.1Confident99 Ų9954.1 Ų54.137%0.37425%0.25SS..Hα-helixtrans-60.7-37.4176.7-77.5-172.3-78.6146.5-7.1112.3D103 F104 L109 E110 Q111D103-R107 WeakPolarHBondContact O-CB 3.49Å; D103-R107 WeakPolarHBondContact O-CG 3.32Å; D103-R107 PolarHBondContact O-N 2.67Å; D103-R107 IonicContact OD2-CZ 2.76Å; D103-R107 IonicContact OD2-NE 3.45Å; D103-R107 PolarHBondContact OD2-NE 3.21Å; D103-R107 IonicContact OD2-NH2 3.71Å; D103-R107 PolarHBondContact OD2-NH2 3.26Å; F104-R107 PolarHBondContact O-N 2.85Å; R107-L109 VanDerWaalsContact C-N 3.33Å; R107-L109 PolarHBondContact O-N 3.01Å; R107-E110 PolarHBondContact O-N 3.45Å; R107-Q111 VanDerWaalsContact O-CB 3.32Å; R107-Q111 WeakPolarHBondContact O-CB 3.14Å; R107-Q111 WeakPolarHBondContact O-CG 3.35Å; R107-Q111 PolarHBondContact O-N 3.35Å
108L92.1Very high85.6Confident9 Ų947.4 Ų47.45%0.04723%0.228CC..Hα-helixtrans-60.6-42.8177.8-17564000111.4F104 L105 Q106 G112 Y174 A288F104-L108 HydrophobicContact CE2-CB 4.33Å; F104-L108 HydrophobicContact CE2-CD2 4.26Å; F104-L108 HydrophobicContact CZ-CD2 3.91Å; F104-L108 WeakPolarHBondContact O-CB 3.42Å; F104-L108 PolarHBondContact O-N 2.9Å; L105-L108 HydrophobicContact CD2-CD2 4.48Å; L105-L108 WeakPolarHBondContact O-CB 2.93Å; L105-L108 PolarHBondContact O-N 2.82Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 3.46Å; L108-G112 WeakPolarHBondContact O-CA 3.23Å; L108-G112 PolarHBondContact O-N 3.26Å; L108-G112 VanDerWaalsContact O-N 3.09Å; L108-Y174 HydrophobicContact CD2-CE1 4.04Å; L108-Y174 HydrophobicContact CG-CE1 4.12Å; L108-A288 HydrophobicContact CD1-CB 3.96Å
109L92.6Very high87.7Confident29 Ų2943.3 Ų43.315%0.15221%0.213CC..Hα-helixtrans-68.5-45.9174.9177.460000112.4L105 Q106 R107 V128 L170 Q171 Y174L105-L109 PolarHBondContact O-N 3.31Å; L105-L109 VanDerWaalsContact O-N 3.13Å; Q106-L109 PolarHBondContact O-N 2.87Å; R107-L109 VanDerWaalsContact C-N 3.33Å; R107-L109 PolarHBondContact O-N 3.01Å; L109-V128 HydrophobicContact CD1-CG1 4.08Å; L109-L170 HydrophobicContact CD1-CB 4.21Å; L109-L170 HydrophobicContact CD2-CB 4.41Å; L109-Q171 HydrophobicContact CD2-CB 4.36Å; L109-Y174 HydrophobicContact CB-CD1 3.8Å; L109-Y174 HydrophobicContact CB-CD2 4.22Å; L109-Y174 HydrophobicContact CB-CE1 4.25Å; L109-Y174 HydrophobicContact CB-CG 3.79Å; L109-Y174 HydrophobicContact CD1-CD2 3.89Å; L109-Y174 HydrophobicContact CD1-CE2 3.86Å; L109-Y174 HydrophobicContact CD1-CG 4.35Å; L109-Y174 HydrophobicContact CD2-CD2 4.17Å; L109-Y174 HydrophobicContact CD2-CG 4.2Å; L109-Y174 HydrophobicContact CG-CD2 4.31Å; L109-Y174 HydrophobicContact CG-CG 4.33Å
110E87Confident89.3Confident133 Ų13341.8 Ų41.862%0.62121%0.206SC*.Hα-helixtrans-68.3-42.6-174.4-73.3177.1176.100112.9Q106 R107Q106-E110 PolarHBondContact NE2-OE1 2.94Å; Q106-E110 WeakPolarHBondContact O-CG 3.23Å; Q106-E110 PolarHBondContact O-N 3.3Å; R107-E110 PolarHBondContact O-N 3.45Å
111Q86.8Confident90.4Very high107 Ų10738.8 Ų38.850%0.519%0.194SC..Hα-helixtrans-85-31.1-176.9-58.8178.3-4.700111.5R107 I113R107-Q111 VanDerWaalsContact O-CB 3.32Å; R107-Q111 WeakPolarHBondContact O-CB 3.14Å; R107-Q111 WeakPolarHBondContact O-CG 3.35Å; R107-Q111 PolarHBondContact O-N 3.35Å; Q111-I113 HydrophobicContact CB-CD1 4.1Å; Q111-I113 HydrophobicContact CB-CG1 3.79Å; Q111-I113 PolarHBondContact O-N 2.76Å
112G88.3Confident90.8Very high7 Ų743.5 Ų43.57%0.07222%0.216CC..  trans61.930.3-178.500000113.3L108 S115L108-G112 WeakPolarHBondContact O-CA 3.23Å; L108-G112 PolarHBondContact O-N 3.26Å; L108-G112 VanDerWaalsContact O-N 3.09Å; G112-S115 WeakPolarHBondContact O-CB 3.23Å; G112-S115 PolarHBondContact O-N 2.92Å; G112-S115 PolarHBondContact O-OG 3.29Å
113I87.5Confident91.1Very high82 Ų8245.1 Ų45.142%0.42124%0.239SC..THydrogen-bonded Turntrans-67.3131.3177.4-58.3178.9000108.4Q111 S115 H129Q111-I113 HydrophobicContact CB-CD1 4.1Å; Q111-I113 HydrophobicContact CB-CG1 3.79Å; Q111-I113 PolarHBondContact O-N 2.76Å; I113-S115 PolarHBondContact O-N 3.39Å; I113-H129 PolarHBondContact O-NE2 3.22Å
114H90.8Very high91.8Very high51 Ų5147 Ų4724%0.23624%0.244CC..THydrogen-bonded Turntrans61.522.4-173.2-52.3-61.4000115D116 H129 K287 A288 C291 D302H114-D116 PolarHBondContact O-N 2.91Å; H114-H129 PolarHBondContact O-CD2 3.45Å; H114-K287 HydrophobicContact CB-CB 4.46Å; H114-A288 HydrophobicContact CB-CB 3.98Å; H114-C291 PolarHBondContact NE2-SG 3.44Å; H114-D302 IonicContact CE1-OD1 3.83Å; H114-D302 PolarHBondContact CE1-OD1 3.01Å; H114-D302 IonicContact NE2-OD1 2.86Å
115S93.6Very high92.2Very high34 Ų3450.7 Ų50.724%0.23827%0.269CS..  trans-61.3130.517369.10000111.3G112 I113 V128 H129G112-S115 WeakPolarHBondContact O-CB 3.23Å; G112-S115 PolarHBondContact O-N 2.92Å; G112-S115 PolarHBondContact O-OG 3.29Å; I113-S115 PolarHBondContact O-N 3.39Å; S115-V128 WeakPolarHBondContact CB-O 3.43Å; S115-H129 PolarHBondContact N-NE2 3.01Å
116D92.9Very high92.5Very high55 Ų5551.9 Ų51.929%0.29427%0.274SS..  trans-104.6-7.4-177.760.6-4.5000113.1H114 V128 H129 R130H114-D116 PolarHBondContact O-N 2.91Å; D116-V128 PolarHBondContact N-O 3.44Å; D116-H129 VanDerWaalsContact OD1-CA 3.25Å; D116-H129 WeakPolarHBondContact OD1-CA 3.31Å; D116-R130 WeakPolarHBondContact OD1-CG 3.45Å; D116-R130 PolarHBondContact OD1-N 3.29Å; D116-R130 WeakPolarHBondContact OD2-CB 3.39Å; D116-R130 VanDerWaalsContact OD2-CD 3.23Å; D116-R130 WeakPolarHBondContact OD2-CD 3.28Å; D116-R130 VanDerWaalsContact OD2-CG 3.24Å; D116-R130 WeakPolarHBondContact OD2-CG 3.44Å; D116-R130 PolarHBondContact OD2-N 3.24Å
117V95.5Very high92.8Very high0 Ų057.2 Ų57.20%029%0.292CS..EExtended strand (participates in β ladder)trans-144.2141.1174.767.60000112F119 V128 R130 S152 V154V117-F119 HydrophobicContact CG1-CE2 4.01Å; V117-F119 HydrophobicContact CG2-CD2 4.5Å; V117-F119 HydrophobicContact CG2-CE2 4.12Å; V117-V128 HydrophobicContact CG1-CG2 3.58Å; V117-V128 PolarHBondContact N-O 3.41Å; V117-V128 PolarHBondContact O-N 2.88Å; V117-V128 VanDerWaalsContact O-O 3.08Å; V117-R130 HydrophobicContact CB-CG 4.11Å; V117-R130 HydrophobicContact CG1-CG 3.83Å; V117-S152 WeakPolarHBondContact CA-O 3.41Å; V117-V154 HydrophobicContact CG2-CG2 4.13Å
118V97.6Very high93.4Very high31 Ų3152.5 Ų52.519%0.18827%0.274CS..EExtended strand (participates in β ladder)trans-117.6119.7175.9-173.40000110.2V120 P125 F126 R127 S152 V153 V154V118-V120 HydrophobicContact CG1-CG2 4.27Å; V118-P125 HydrophobicContact CG1-CB 4.06Å; V118-F126 CarbonylContact C-O 3.46Å; V118-F126 VanDerWaalsContact CA-O 3.32Å; V118-F126 WeakPolarHBondContact CA-O 3.1Å; V118-R127 HydrophobicContact CG2-CG 4.11Å; V118-S152 PolarHBondContact N-O 3.28Å; V118-V153 HydrophobicContact CB-CG2 4.5Å; V118-V153 CarbonylContact O-C 3.39Å; V118-V153 WeakPolarHBondContact O-CA 3.39Å; V118-V154 PolarHBondContact O-N 2.9Å
119F97.2Very high93.5Very high0 Ų052.1 Ų52.10%027%0.272CS..EExtended strand (participates in β ladder)trans-90.3122.8169.9-73.6-91.7000110V117 P125 F126 V128 L133 F140 W148 V154 L156 F166V117-F119 HydrophobicContact CG1-CE2 4.01Å; V117-F119 HydrophobicContact CG2-CD2 4.5Å; V117-F119 HydrophobicContact CG2-CE2 4.12Å; F119-P125 CarbonylContact O-C 3.24Å; F119-P125 WeakPolarHBondContact O-CA 3.45Å; F119-F126 HydrophobicContact CB-CB 4.38Å; F119-F126 PolarHBondContact N-O 2.94Å; F119-F126 PolarHBondContact O-N 3.31Å; F119-V128 HydrophobicContact CD2-CG2 3.57Å; F119-V128 HydrophobicContact CE2-CG2 3.75Å; F119-L133 HydrophobicContact CE2-CD1 3.75Å; F119-L133 HydrophobicContact CZ-CD1 4.37Å; F119-F140 HydrophobicContact CE1-CE1 4.45Å; F119-F140 HydrophobicContact CZ-CD1 4.36Å; F119-F140 HydrophobicContact CZ-CE1 4.07Å; F119-W148 HydrophobicContact CE1-CD2 4.4Å; F119-W148 AromaticContact CE1-CE3 3.97Å; F119-W148 HydrophobicContact CE1-CE3 3.97Å; F119-W148 AromaticContact CE1-CH2 3.74Å; F119-W148 HydrophobicContact CE1-CH2 3.74Å; F119-W148 HydrophobicContact CE1-CZ2 4.17Å; F119-W148 AromaticContact CE1-CZ3 3.63Å; F119-W148 HydrophobicContact CE1-CZ3 3.63Å; F119-W148 AromaticContact CZ-CE3 3.89Å; F119-W148 HydrophobicContact CZ-CE3 3.89Å; F119-W148 HydrophobicContact CZ-CH2 4.26Å; F119-W148 AromaticContact CZ-CZ3 3.69Å; F119-W148 HydrophobicContact CZ-CZ3 3.69Å; F119-V154 CarbonylContact C-O 3.13Å; F119-V154 WeakPolarHBondContact CA-O 3.35Å; F119-V154 HydrophobicContact CD1-CB 3.77Å; F119-V154 HydrophobicContact CD1-CG1 3.8Å; F119-V154 HydrophobicContact CE1-CB 3.8Å; F119-V154 HydrophobicContact CE1-CG1 3.67Å; F119-V154 HydrophobicContact CE1-CG2 4.24Å; F119-V154 HydrophobicContact CG-CB 4.45Å; F119-V154 HydrophobicContact CZ-CB 4.49Å; F119-L156 HydrophobicContact CD1-CD1 3.83Å; F119-L156 HydrophobicContact CD1-CG 4.26Å; F119-L156 HydrophobicContact CE1-CD1 4.42Å; F119-F166 HydrophobicContact CB-CE1 3.8Å; F119-F166 HydrophobicContact CB-CZ 4.01Å; F119-F166 HydrophobicContact CD1-CZ 4.02Å; F119-F166 HydrophobicContact CD2-CZ 4.4Å; F119-F166 HydrophobicContact CG-CE1 4.17Å; F119-F166 AromaticContact CG-CZ 3.89Å; F119-F166 HydrophobicContact CG-CZ 3.89Å
120V97.3Very high93.6Very high31 Ų3152 Ų5219%0.18827%0.27CS..EExtended strand (participates in β ladder)trans-105.5100.6175.4-177.40000108.5V118 K124 V153 V154 V155 L156V118-V120 HydrophobicContact CG1-CG2 4.27Å; V120-K124 WeakPolarHBondContact CA-O 3.27Å; V120-V153 HydrophobicContact CG2-CG1 3.87Å; V120-V154 PolarHBondContact N-O 3.05Å; V120-V155 HydrophobicContact CB-CG1 4.42Å; V120-V155 HydrophobicContact CB-CG2 4.34Å; V120-L156 PolarHBondContact O-N 3.32Å
121V96.6Very high93.9Very high0 Ų045.9 Ų45.90%024%0.241CC..EExtended strand (participates in β ladder)trans-101.9112.4-178-175.20000109G123 K124 F126 L156 I161 P163 F166V121-G123 PolarHBondContact O-N 2.86Å; V121-K124 PolarHBondContact N-O 3.37Å; V121-K124 WeakPolarHBondContact O-CB 3.37Å; V121-K124 PolarHBondContact O-N 3.32Å; V121-F126 HydrophobicContact CB-CD2 4.44Å; V121-F126 HydrophobicContact CB-CE2 4.04Å; V121-F126 HydrophobicContact CG2-CD2 4.09Å; V121-F126 HydrophobicContact CG2-CE2 4.08Å; V121-L156 HydrophobicContact CG2-CB 4.23Å; V121-L156 HydrophobicContact CG2-CD1 4.12Å; V121-I161 HydrophobicContact CG1-CG2 3.69Å; V121-P163 HydrophobicContact CB-CB 4.37Å; V121-P163 HydrophobicContact CG1-CB 4.03Å; V121-F166 HydrophobicContact CG2-CD1 3.61Å; V121-F166 HydrophobicContact CG2-CE1 3.87Å; V121-F166 HydrophobicContact CG2-CG 3.99Å; V121-F166 HydrophobicContact CG2-CZ 4.47Å
122H93.4Very high94.3Very high98 Ų9840.8 Ų40.845%0.45422%0.218SC..THydrogen-bonded Turntrans47.836.7-176.5-65.7-72.8000114.2L156 H158 I161H122-L156 PolarHBondContact N-O 2.97Å; H122-H158 PolarHBondContact NE2-O 3.23Å; H122-I161 PolarHBondContact CD2-O 2.64Å; H122-I161 PolarHBondContact NE2-O 3.42Å; H122-I161 VanDerWaalsContact NE2-O 3.15Å
123G90.2Very high94.6Very high61 Ų6140.4 Ų40.463%0.62921%0.214SC*.THydrogen-bonded Turntrans88.6-9.3-179.900000115.2V121V121-G123 PolarHBondContact O-N 2.86Å
124K95.2Very high94.8Very high107 Ų10736.9 Ų36.947%0.46520%0.198SC..EExtended strand (participates in β ladder)trans-86.6121.1173.4-173.5175175.1-175.70110.5V120 V121 F126 P163V120-K124 WeakPolarHBondContact CA-O 3.27Å; V121-K124 PolarHBondContact N-O 3.37Å; V121-K124 WeakPolarHBondContact O-CB 3.37Å; V121-K124 PolarHBondContact O-N 3.32Å; K124-F126 HydrophobicContact CB-CE2 4.07Å; K124-F126 HydrophobicContact CD-CE1 4.39Å; K124-F126 HydrophobicContact CD-CE2 3.92Å; K124-F126 HydrophobicContact CD-CZ 3.58Å; K124-F126 HydrophobicContact CG-CE2 3.8Å; K124-F126 HydrophobicContact CG-CZ 3.95Å; K124-F126 WeakPolarHBondContact O-CD2 3.5Å; K124-P163 HydrophobicContact CB-CB 4.48Å; K124-P163 HydrophobicContact CD-CB 4.28Å
125P95.8Very high94.9Very high84 Ų8435 Ų3555%0.54519%0.191SC..EExtended strand (participates in β ladder)trans-83.4140177.732.8-33.2000111.9V118 F119V118-P125 HydrophobicContact CG1-CB 4.06Å; F119-P125 CarbonylContact O-C 3.24Å; F119-P125 WeakPolarHBondContact O-CA 3.45Å
126F97.1Very high94.8Very high26 Ų2634.8 Ų34.811%0.11419%0.185CC..EExtended strand (participates in β ladder)trans-126.5113172.3-64.2-91.6000108.5V118 F119 V121 K124 V128 P163 F166 L170V118-F126 CarbonylContact C-O 3.46Å; V118-F126 VanDerWaalsContact CA-O 3.32Å; V118-F126 WeakPolarHBondContact CA-O 3.1Å; F119-F126 HydrophobicContact CB-CB 4.38Å; F119-F126 PolarHBondContact N-O 2.94Å; F119-F126 PolarHBondContact O-N 3.31Å; V121-F126 HydrophobicContact CB-CD2 4.44Å; V121-F126 HydrophobicContact CB-CE2 4.04Å; V121-F126 HydrophobicContact CG2-CD2 4.09Å; V121-F126 HydrophobicContact CG2-CE2 4.08Å; K124-F126 HydrophobicContact CB-CE2 4.07Å; K124-F126 HydrophobicContact CD-CE1 4.39Å; K124-F126 HydrophobicContact CD-CE2 3.92Å; K124-F126 HydrophobicContact CD-CZ 3.58Å; K124-F126 HydrophobicContact CG-CE2 3.8Å; K124-F126 HydrophobicContact CG-CZ 3.95Å; K124-F126 WeakPolarHBondContact O-CD2 3.5Å; F126-V128 HydrophobicContact CB-CG1 4.49Å; F126-P163 HydrophobicContact CE2-CB 4.47Å; F126-P163 HydrophobicContact CZ-CB 4.46Å; F126-P163 VanDerWaalsContact CZ-O 3.3Å; F126-P163 WeakPolarHBondContact CZ-O 3.34Å; F126-F166 HydrophobicContact CB-CE1 4.47Å; F126-F166 AromaticContact CD2-CD1 4Å; F126-F166 HydrophobicContact CD2-CD1 4Å; F126-F166 HydrophobicContact CD2-CE1 4.25Å; F126-F166 HydrophobicContact CE2-CD1 4.12Å; F126-F166 HydrophobicContact CG-CD1 4.25Å; F126-F166 HydrophobicContact CG-CE1 4.33Å; F126-F166 HydrophobicContact CZ-CD1 4.47Å; F126-L170 HydrophobicContact CB-CD1 3.82Å; F126-L170 HydrophobicContact CD1-CD1 3.77Å; F126-L170 HydrophobicContact CG-CD1 3.97Å
127R96.3Very high94.7Very high157 Ų15732.5 Ų32.559%0.59217%0.173SC*.EExtended strand (participates in β ladder)trans-86.8120.2176.3-70.5-177.6179.4156.1-0.9108.6V118V118-R127 HydrophobicContact CG2-CG 4.11Å
128V96.8Very high94.4Very high0 Ų035.9 Ų35.90%020%0.202CC..EExtended strand (participates in β ladder)trans-143.1174.7-173.9-59.10000110.6L109 S115 D116 V117 F119 F126 L133 L170L109-V128 HydrophobicContact CD1-CG1 4.08Å; S115-V128 WeakPolarHBondContact CB-O 3.43Å; D116-V128 PolarHBondContact N-O 3.44Å; V117-V128 HydrophobicContact CG1-CG2 3.58Å; V117-V128 PolarHBondContact N-O 3.41Å; V117-V128 PolarHBondContact O-N 2.88Å; V117-V128 VanDerWaalsContact O-O 3.08Å; F119-V128 HydrophobicContact CD2-CG2 3.57Å; F119-V128 HydrophobicContact CE2-CG2 3.75Å; F126-V128 HydrophobicContact CB-CG1 4.49Å; V128-L133 HydrophobicContact CB-CD1 4.4Å; V128-L133 HydrophobicContact CG2-CD1 3.69Å; V128-L133 HydrophobicContact CG2-CG 4.48Å; V128-L170 HydrophobicContact CG1-CD1 3.67Å; V128-L170 HydrophobicContact CG1-CD2 3.96Å; V128-L170 HydrophobicContact CG1-CG 4.39Å
129H95.9Very high94.1Very high2 Ų236.4 Ų36.41%0.00920%0.201CC..  trans-117.3124.6-171.3-53.881.3000109.9I113 H114 S115 D116 C131 V132 L133 Y174I113-H129 PolarHBondContact O-NE2 3.22Å; H114-H129 PolarHBondContact O-CD2 3.45Å; S115-H129 PolarHBondContact N-NE2 3.01Å; D116-H129 VanDerWaalsContact OD1-CA 3.25Å; D116-H129 WeakPolarHBondContact OD1-CA 3.31Å; H129-C131 VanDerWaalsContact C-N 3.28Å; H129-C131 PolarHBondContact O-N 2.88Å; H129-V132 HydrophobicContact CB-CB 4.34Å; H129-V132 HydrophobicContact CB-CG2 4.13Å; H129-V132 PolarHBondContact O-N 3.4Å; H129-L133 WeakPolarHBondContact O-CG 3.29Å; H129-L133 PolarHBondContact O-N 2.9Å; H129-L133 VanDerWaalsContact O-N 3.16Å; H129-Y174 VanDerWaalsContact CB-OH 3.26Å; H129-Y174 WeakPolarHBondContact CB-OH 3.21Å; H129-Y174 PolarHBondContact N-OH 3.12Å; H129-Y174 AromaticContact ND1-CE1 3.76Å; H129-Y174 AromaticContact ND1-CZ 3.69Å; H129-Y174 PolarHBondContact ND1-OH 2.96Å
130R94.4Very high93.9Very high26 Ų2636.5 Ų36.510%0.09820%0.201CC..Hα-helixtrans-58.3-41.9-179.6-67.8168.3164.8-95.7-7111.7D116 V117 V132 L133 G134 L144 W148 K151 C271D116-R130 WeakPolarHBondContact OD1-CG 3.45Å; D116-R130 PolarHBondContact OD1-N 3.29Å; D116-R130 WeakPolarHBondContact OD2-CB 3.39Å; D116-R130 VanDerWaalsContact OD2-CD 3.23Å; D116-R130 WeakPolarHBondContact OD2-CD 3.28Å; D116-R130 VanDerWaalsContact OD2-CG 3.24Å; D116-R130 WeakPolarHBondContact OD2-CG 3.44Å; D116-R130 PolarHBondContact OD2-N 3.24Å; V117-R130 HydrophobicContact CB-CG 4.11Å; V117-R130 HydrophobicContact CG1-CG 3.83Å; R130-V132 PolarHBondContact O-N 2.62Å; R130-L133 PolarHBondContact O-N 3.02Å; R130-G134 PolarHBondContact O-N 3.09Å; R130-L144 HydrophobicContact CB-CD1 4.01Å; R130-L144 HydrophobicContact CG-CD1 4.14Å; R130-L144 HydrophobicContact CG-CD2 4.07Å; R130-W148 PolarHBondContact NH2-O 3.1Å; R130-W148 VanDerWaalsContact NH2-O 3.07Å; R130-K151 PolarHBondContact NH2-O 3.33Å; R130-C271 HydrophobicContact CB-CB 4.29Å
131C93.4Very high93.6Very high4 Ų436.2 Ų36.23%0.02720%0.201CC..Hα-helixtrans-57.7-47.3179.658.50000112H129 A135 L244 S270 H286H129-C131 VanDerWaalsContact C-N 3.28Å; H129-C131 PolarHBondContact O-N 2.88Å; C131-A135 VanDerWaalsContact O-CB 3.27Å; C131-A135 WeakPolarHBondContact O-CB 3.4Å; C131-A135 PolarHBondContact O-N 3.19Å; C131-L244 HydrophobicContact CB-CD1 4.19Å; C131-L244 HydrophobicContact CB-CD2 3.88Å; C131-S270 WeakPolarHBondContact CB-O 3.34Å; C131-H286 WeakPolarHBondContact CB-NE2 3.28Å
132V95.1Very high93.3Very high0 Ų040.9 Ų40.90%023%0.226CC..Hα-helixtrans-64.6-50.1178.2172.70000111.3H129 R130 G134 A135 R136 Y174 M241 F289H129-V132 HydrophobicContact CB-CB 4.34Å; H129-V132 HydrophobicContact CB-CG2 4.13Å; H129-V132 PolarHBondContact O-N 3.4Å; R130-V132 PolarHBondContact O-N 2.62Å; V132-G134 VanDerWaalsContact C-N 3.3Å; V132-G134 PolarHBondContact O-N 2.89Å; V132-A135 PolarHBondContact O-N 2.91Å; V132-R136 HydrophobicContact CG1-CG 4.41Å; V132-R136 WeakPolarHBondContact O-CB 3.49Å; V132-R136 VanDerWaalsContact O-CG 3.23Å; V132-R136 WeakPolarHBondContact O-CG 3.16Å; V132-R136 PolarHBondContact O-N 3Å; V132-Y174 HydrophobicContact CB-CE1 4.08Å; V132-Y174 HydrophobicContact CB-CE2 4.29Å; V132-Y174 HydrophobicContact CG1-CD1 4.03Å; V132-Y174 HydrophobicContact CG1-CD2 3.87Å; V132-Y174 HydrophobicContact CG1-CE1 3.82Å; V132-Y174 HydrophobicContact CG1-CE2 3.68Å; V132-Y174 HydrophobicContact CG1-CG 4.05Å; V132-Y174 HydrophobicContact CG2-CE1 3.88Å; V132-M241 HydrophobicContact CB-CE 4.46Å; V132-M241 HydrophobicContact CG1-CE 3.74Å; V132-M241 HydrophobicContact CG2-CE 4.24Å; V132-M241 HydrophobicContact CG2-SD 4.42Å; V132-F289 HydrophobicContact CG2-CE2 3.88Å; V132-F289 HydrophobicContact CG2-CZ 3.94Å
133L94.5Very high93.2Very high0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-62.3-41-178.4-64.2-177.9000112.2F119 V128 H129 R130 S137 F140 L144 L170 L173 Y174F119-L133 HydrophobicContact CE2-CD1 3.75Å; F119-L133 HydrophobicContact CZ-CD1 4.37Å; V128-L133 HydrophobicContact CB-CD1 4.4Å; V128-L133 HydrophobicContact CG2-CD1 3.69Å; V128-L133 HydrophobicContact CG2-CG 4.48Å; H129-L133 WeakPolarHBondContact O-CG 3.29Å; H129-L133 PolarHBondContact O-N 2.9Å; H129-L133 VanDerWaalsContact O-N 3.16Å; R130-L133 PolarHBondContact O-N 3.02Å; L133-S137 WeakPolarHBondContact O-CB 3.34Å; L133-S137 PolarHBondContact O-N 3.45Å; L133-F140 HydrophobicContact CB-CB 3.87Å; L133-F140 HydrophobicContact CB-CD1 4.36Å; L133-F140 HydrophobicContact CB-CG 4.06Å; L133-F140 HydrophobicContact CD1-CD1 4Å; L133-F140 HydrophobicContact CD1-CE1 4.29Å; L133-F140 HydrophobicContact CD1-CG 4.48Å; L133-L144 HydrophobicContact CB-CD1 4.4Å; L133-L170 HydrophobicContact CD2-CD2 3.69Å; L133-L173 HydrophobicContact CD2-CB 4.43Å; L133-L173 HydrophobicContact CD2-CD1 3.51Å; L133-Y174 HydrophobicContact CD2-CE2 4.48Å
134G91.9Very high93.2Very high7 Ų734.6 Ų34.67%0.07218%0.182CC..Hα-helixtrans-71-39-179.200000112.7R130 V132 R136R130-G134 PolarHBondContact O-N 3.09Å; V132-G134 VanDerWaalsContact C-N 3.3Å; V132-G134 PolarHBondContact O-N 2.89Å; G134-R136 VanDerWaalsContact C-N 3.32Å; G134-R136 PolarHBondContact O-N 3.1Å
135A91.2Very high92.9Very high12 Ų1232.4 Ų32.410%0.09918%0.175CC..Hα-helixtrans-64-38.417500000112C131 V132 L244 F268C131-A135 VanDerWaalsContact O-CB 3.27Å; C131-A135 WeakPolarHBondContact O-CB 3.4Å; C131-A135 PolarHBondContact O-N 3.19Å; V132-A135 PolarHBondContact O-N 2.91Å; A135-L244 HydrophobicContact CB-CD2 4.13Å; A135-L244 HydrophobicContact CB-CG 4.22Å; A135-F268 HydrophobicContact CB-CZ 4.34Å
136R91.9Very high92.6Very high29 Ų2931.8 Ų31.811%0.10917%0.17CC..Hα-helixtrans-91.2-6.5-175.3-58.7-65-43.1-84.815.8114.4V132 G134 Y172 L173 D240 M241V132-R136 HydrophobicContact CG1-CG 4.41Å; V132-R136 WeakPolarHBondContact O-CB 3.49Å; V132-R136 VanDerWaalsContact O-CG 3.23Å; V132-R136 WeakPolarHBondContact O-CG 3.16Å; V132-R136 PolarHBondContact O-N 3Å; G134-R136 VanDerWaalsContact C-N 3.32Å; G134-R136 PolarHBondContact O-N 3.1Å; R136-Y172 PolarHBondContact NH1-O 3.43Å; R136-L173 HydrophobicContact CB-CB 4.38Å; R136-L173 HydrophobicContact CB-CD2 3.66Å; R136-L173 VanDerWaalsContact CG-O 3.3Å; R136-L173 WeakPolarHBondContact CG-O 3.35Å; R136-L173 PolarHBondContact NH1-O 2.59Å; R136-D240 VanDerWaalsContact CD-CB 3.45Å; R136-D240 WeakPolarHBondContact CD-OD2 3.29Å; R136-D240 IonicContact CZ-OD2 2.97Å; R136-D240 IonicContact NE-OD2 2.95Å; R136-D240 PolarHBondContact NE-OD2 3.37Å; R136-D240 IonicContact NH2-OD2 2.7Å; R136-D240 PolarHBondContact NH2-OD2 3.06Å; R136-M241 HydrophobicContact CG-CE 4.17Å
137S91.9Very high92.3Very high7 Ų737.4 Ų37.45%0.04919%0.194CC..  trans-157.6115.8-177178.60000112.9L133 Y139 F140 A141 C195L133-S137 WeakPolarHBondContact O-CB 3.34Å; L133-S137 PolarHBondContact O-N 3.45Å; S137-Y139 PolarHBondContact O-N 3.38Å; S137-Y139 PolarHBondContact OG-N 2.9Å; S137-F140 PolarHBondContact O-N 3.47Å; S137-F140 VanDerWaalsContact O-N 3.1Å; S137-F140 PolarHBondContact OG-N 3.08Å; S137-A141 PolarHBondContact O-N 3.39Å; S137-C195 PolarHBondContact OG-O 3.17Å; S137-C195 VanDerWaalsContact OG-O 3.14Å
138A88.9Confident92.1Very high72 Ų7231.2 Ų31.260%0.59517%0.171SC*.Hα-helixtrans-57.5-32.9172.400000112.8N142A138-N142 WeakPolarHBondContact O-CB 3.49Å; A138-N142 PolarHBondContact O-N 3.36Å
139Y92Very high91.7Very high42 Ų4237.2 Ų37.217%0.16520%0.197CC..Hα-helixtrans-62.5-50.6174.4173.5-97.9000111.4S137 N142 M143 W148 Q194 C195S137-Y139 PolarHBondContact O-N 3.38Å; S137-Y139 PolarHBondContact OG-N 2.9Å; Y139-N142 PolarHBondContact O-N 3.39Å; Y139-M143 HydrophobicContact CD1-CG 4.25Å; Y139-M143 HydrophobicContact CD2-CG 4.11Å; Y139-M143 HydrophobicContact CE1-CG 3.9Å; Y139-M143 HydrophobicContact CE2-CG 3.74Å; Y139-M143 HydrophobicContact CE2-SD 4.16Å; Y139-M143 HydrophobicContact CG-CG 4.36Å; Y139-M143 WeakPolarHBondContact O-CB 3.42Å; Y139-M143 WeakPolarHBondContact O-CG 3.47Å; Y139-M143 PolarHBondContact O-N 3.03Å; Y139-W148 HydrophobicContact CE1-CH2 4.42Å; Y139-Q194 WeakPolarHBondContact CD2-O 3.44Å; Y139-C195 WeakPolarHBondContact CB-O 3.3Å; Y139-C195 HydrophobicContact CD1-CB 4.1Å
140F93Very high91.2Very high2 Ų240.9 Ų40.91%0.00924%0.235CC..Hα-helixtrans-65.1-42.3178.7-80.8-76.2000111.2F119 L133 S137 N142 M143 L144 W148 F166 L169 L173 C195F119-F140 HydrophobicContact CE1-CE1 4.45Å; F119-F140 HydrophobicContact CZ-CD1 4.36Å; F119-F140 HydrophobicContact CZ-CE1 4.07Å; L133-F140 HydrophobicContact CB-CB 3.87Å; L133-F140 HydrophobicContact CB-CD1 4.36Å; L133-F140 HydrophobicContact CB-CG 4.06Å; L133-F140 HydrophobicContact CD1-CD1 4Å; L133-F140 HydrophobicContact CD1-CE1 4.29Å; L133-F140 HydrophobicContact CD1-CG 4.48Å; S137-F140 PolarHBondContact O-N 3.47Å; S137-F140 VanDerWaalsContact O-N 3.1Å; S137-F140 PolarHBondContact OG-N 3.08Å; F140-N142 PolarHBondContact O-N 3Å; F140-M143 PolarHBondContact O-N 3.33Å; F140-L144 VanDerWaalsContact O-CB 3.25Å; F140-L144 WeakPolarHBondContact O-CB 3.18Å; F140-L144 WeakPolarHBondContact O-CD1 3.33Å; F140-L144 WeakPolarHBondContact O-CG 3.48Å; F140-L144 PolarHBondContact O-N 3.35Å; F140-W148 AromaticContact CD1-CZ3 3.82Å; F140-W148 HydrophobicContact CD1-CZ3 3.82Å; F140-W148 HydrophobicContact CE1-CH2 4.34Å; F140-W148 AromaticContact CE1-CZ3 3.98Å; F140-W148 HydrophobicContact CE1-CZ3 3.98Å; F140-F166 HydrophobicContact CZ-CE2 4.33Å; F140-L169 HydrophobicContact CE2-CD2 4.02Å; F140-L169 HydrophobicContact CZ-CD2 4.3Å; F140-L173 HydrophobicContact CD2-CD1 4.07Å; F140-L173 HydrophobicContact CE2-CD1 3.79Å; F140-C195 HydrophobicContact CE2-CB 4.15Å
141A90.2Very high91.1Very high24 Ų2444.7 Ų44.720%0.19825%0.252CS..Hα-helixtrans-53-52.9174.700000111.7S137 M143 L144 D145 F268S137-A141 PolarHBondContact O-N 3.39Å; A141-M143 PolarHBondContact O-N 3.16Å; A141-L144 PolarHBondContact O-N 3.4Å; A141-D145 PolarHBondContact O-N 3.03Å; A141-D145 VanDerWaalsContact O-N 3.15Å; A141-F268 HydrophobicContact CB-CD2 4.14Å; A141-F268 HydrophobicContact CB-CE2 4.43Å
142N90.3Very high91.1Very high98 Ų9848.3 Ų48.352%0.52428%0.278SS..Hα-helixtrans-63.7-43.6178.9-178.222.4000112.5A138 Y139 F140 L144 D145 T146A138-N142 WeakPolarHBondContact O-CB 3.49Å; A138-N142 PolarHBondContact O-N 3.36Å; Y139-N142 PolarHBondContact O-N 3.39Å; F140-N142 PolarHBondContact O-N 3Å; N142-L144 VanDerWaalsContact C-N 3.34Å; N142-L144 PolarHBondContact O-N 3.21Å; N142-D145 PolarHBondContact O-N 2.93Å; N142-T146 WeakPolarHBondContact O-CB 3.36Å; N142-T146 WeakPolarHBondContact O-CG2 3.5Å; N142-T146 PolarHBondContact O-N 3.27Å; N142-T146 PolarHBondContact O-OG1 2.96Å; N142-T146 WeakPolarHBondContact OD1-CG2 3.48Å
143M91.1Very high91.1Very high16 Ų1651.8 Ų51.88%0.07930%0.299CS..Hα-helixtrans-67-36.1-179-72.2-70.5-63.700112.4Y139 F140 A141 D145 T146 K147 W148Y139-M143 HydrophobicContact CD1-CG 4.25Å; Y139-M143 HydrophobicContact CD2-CG 4.11Å; Y139-M143 HydrophobicContact CE1-CG 3.9Å; Y139-M143 HydrophobicContact CE2-CG 3.74Å; Y139-M143 HydrophobicContact CE2-SD 4.16Å; Y139-M143 HydrophobicContact CG-CG 4.36Å; Y139-M143 WeakPolarHBondContact O-CB 3.42Å; Y139-M143 WeakPolarHBondContact O-CG 3.47Å; Y139-M143 PolarHBondContact O-N 3.03Å; F140-M143 PolarHBondContact O-N 3.33Å; A141-M143 PolarHBondContact O-N 3.16Å; M143-D145 VanDerWaalsContact C-N 3.34Å; M143-T146 PolarHBondContact O-N 2.97Å; M143-K147 HydrophobicContact CE-CB 4.02Å; M143-K147 HydrophobicContact CE-CD 3.68Å; M143-K147 HydrophobicContact CE-CG 4.37Å; M143-K147 PolarHBondContact O-N 2.84Å; M143-K147 HydrophobicContact SD-CD 3.89Å; M143-K147 HydrophobicContact SD-CG 4.47Å; M143-W148 HydrophobicContact CB-CD2 4.11Å; M143-W148 HydrophobicContact CB-CE3 3.57Å; M143-W148 HydrophobicContact CB-CH2 4.16Å; M143-W148 HydrophobicContact CB-CZ3 3.58Å; M143-W148 HydrophobicContact CE-CD2 4.15Å; M143-W148 HydrophobicContact CE-CH2 3.9Å; M143-W148 HydrophobicContact CE-CZ2 3.49Å; M143-W148 VanDerWaalsContact CE-CZ2 3.49Å; M143-W148 HydrophobicContact CE-CZ3 4.38Å; M143-W148 HydrophobicContact CG-CZ3 4.36Å; M143-W148 WeakPolarHBondContact O-CB 3.37Å; M143-W148 PolarHBondContact O-N 3.39Å
144L90.8Very high91.2Very high12 Ų1252 Ų526%0.06330%0.3CS..Hα-helixtrans-68.9-30.8176-72.1170.2000112.5R130 L133 F140 A141 N142 W148 K149R130-L144 HydrophobicContact CB-CD1 4.01Å; R130-L144 HydrophobicContact CG-CD1 4.14Å; R130-L144 HydrophobicContact CG-CD2 4.07Å; L133-L144 HydrophobicContact CB-CD1 4.4Å; F140-L144 VanDerWaalsContact O-CB 3.25Å; F140-L144 WeakPolarHBondContact O-CB 3.18Å; F140-L144 WeakPolarHBondContact O-CD1 3.33Å; F140-L144 WeakPolarHBondContact O-CG 3.48Å; F140-L144 PolarHBondContact O-N 3.35Å; A141-L144 PolarHBondContact O-N 3.4Å; N142-L144 VanDerWaalsContact C-N 3.34Å; N142-L144 PolarHBondContact O-N 3.21Å; L144-W148 HydrophobicContact CD2-CB 4.38Å; L144-W148 HydrophobicContact CD2-CE3 4.15Å; L144-W148 HydrophobicContact CG-CE3 4.42Å; L144-W148 CarbonylContact O-C 3.56Å; L144-K149 VanDerWaalsContact O-CA 3.22Å; L144-K149 WeakPolarHBondContact O-CA 3.37Å; L144-K149 PolarHBondContact O-N 3.47Å
145D87.9Confident91.4Very high60 Ų6055.3 Ų55.332%0.32132%0.319SS..Hα-helixtrans-86.5-20.2175.4-166.649000113.9A141 N142 M143 K149A141-D145 PolarHBondContact O-N 3.03Å; A141-D145 VanDerWaalsContact O-N 3.15Å; N142-D145 PolarHBondContact O-N 2.93Å; M143-D145 VanDerWaalsContact C-N 3.34Å; D145-K149 WeakPolarHBondContact O-CB 3.42Å; D145-K149 WeakPolarHBondContact O-CD 3.4Å; D145-K149 IonicContact OD1-NZ 3.18Å; D145-K149 PolarHBondContact OD1-NZ 3.5Å; D145-K149 IonicContact OD2-NZ 2.95Å
146T89.3Confident91.5Very high71 Ų7156 Ų5644%0.43632%0.32SS..THydrogen-bonded Turntrans-105.8-94.1179.660.20000111.9N142 M143 W148 K149N142-T146 WeakPolarHBondContact O-CB 3.36Å; N142-T146 WeakPolarHBondContact O-CG2 3.5Å; N142-T146 PolarHBondContact O-N 3.27Å; N142-T146 PolarHBondContact O-OG1 2.96Å; N142-T146 WeakPolarHBondContact OD1-CG2 3.48Å; M143-T146 PolarHBondContact O-N 2.97Å; T146-W148 VanDerWaalsContact C-N 3.28Å; T146-W148 PolarHBondContact O-N 3Å; T146-K149 WeakPolarHBondContact O-CB 3.43Å; T146-K149 PolarHBondContact O-N 3.43Å
147K90.6Very high91.5Very high144 Ų14464.3 Ų64.363%0.62635%0.352SS*.THydrogen-bonded Turntrans-66.6-26.1-169.5-69.3179.4-178.2170.40113.9M143 K151M143-K147 HydrophobicContact CE-CB 4.02Å; M143-K147 HydrophobicContact CE-CD 3.68Å; M143-K147 HydrophobicContact CE-CG 4.37Å; M143-K147 PolarHBondContact O-N 2.84Å; M143-K147 HydrophobicContact SD-CD 3.89Å; M143-K147 HydrophobicContact SD-CG 4.47Å; K147-K151 PolarHBondContact O-NZ 2.98Å
148W92Very high91.4Very high27 Ų2768.7 Ų68.710%0.10237%0.371CS..THydrogen-bonded Turntrans-111.513.4-178-54-30.4000113.5F119 R130 Y139 F140 M143 L144 T146 G150 K151 V154 L156F119-W148 HydrophobicContact CE1-CD2 4.4Å; F119-W148 AromaticContact CE1-CE3 3.97Å; F119-W148 HydrophobicContact CE1-CE3 3.97Å; F119-W148 AromaticContact CE1-CH2 3.74Å; F119-W148 HydrophobicContact CE1-CH2 3.74Å; F119-W148 HydrophobicContact CE1-CZ2 4.17Å; F119-W148 AromaticContact CE1-CZ3 3.63Å; F119-W148 HydrophobicContact CE1-CZ3 3.63Å; F119-W148 AromaticContact CZ-CE3 3.89Å; F119-W148 HydrophobicContact CZ-CE3 3.89Å; F119-W148 HydrophobicContact CZ-CH2 4.26Å; F119-W148 AromaticContact CZ-CZ3 3.69Å; F119-W148 HydrophobicContact CZ-CZ3 3.69Å; R130-W148 PolarHBondContact NH2-O 3.1Å; R130-W148 VanDerWaalsContact NH2-O 3.07Å; Y139-W148 HydrophobicContact CE1-CH2 4.42Å; F140-W148 AromaticContact CD1-CZ3 3.82Å; F140-W148 HydrophobicContact CD1-CZ3 3.82Å; F140-W148 HydrophobicContact CE1-CH2 4.34Å; F140-W148 AromaticContact CE1-CZ3 3.98Å; F140-W148 HydrophobicContact CE1-CZ3 3.98Å; M143-W148 HydrophobicContact CB-CD2 4.11Å; M143-W148 HydrophobicContact CB-CE3 3.57Å; M143-W148 HydrophobicContact CB-CH2 4.16Å; M143-W148 HydrophobicContact CB-CZ3 3.58Å; M143-W148 HydrophobicContact CE-CD2 4.15Å; M143-W148 HydrophobicContact CE-CH2 3.9Å; M143-W148 HydrophobicContact CE-CZ2 3.49Å; M143-W148 VanDerWaalsContact CE-CZ2 3.49Å; M143-W148 HydrophobicContact CE-CZ3 4.38Å; M143-W148 HydrophobicContact CG-CZ3 4.36Å; M143-W148 WeakPolarHBondContact O-CB 3.37Å; M143-W148 PolarHBondContact O-N 3.39Å; L144-W148 HydrophobicContact CD2-CB 4.38Å; L144-W148 HydrophobicContact CD2-CE3 4.15Å; L144-W148 HydrophobicContact CG-CE3 4.42Å; L144-W148 CarbonylContact O-C 3.56Å; T146-W148 VanDerWaalsContact C-N 3.28Å; T146-W148 PolarHBondContact O-N 3Å; W148-G150 PolarHBondContact O-N 3.36Å; W148-K151 PolarHBondContact O-N 2.83Å; W148-V154 HydrophobicContact CB-CG2 3.98Å; W148-V154 HydrophobicContact CD2-CG1 3.96Å; W148-V154 HydrophobicContact CD2-CG2 4.15Å; W148-V154 HydrophobicContact CG-CG1 4.1Å; W148-V154 HydrophobicContact CG-CG2 3.78Å; W148-V154 HydrophobicContact CZ2-CG1 4.02Å; W148-L156 HydrophobicContact CZ2-CD2 4.16Å
149K89.6Confident91.4Very high127 Ų12770.5 Ų70.555%0.55238%0.377SS*.THydrogen-bonded Turntrans-57.8130.2175.3-157.7-175.6-165.8115.80110.6L144 D145 T146 K151L144-K149 VanDerWaalsContact O-CA 3.22Å; L144-K149 WeakPolarHBondContact O-CA 3.37Å; L144-K149 PolarHBondContact O-N 3.47Å; D145-K149 WeakPolarHBondContact O-CB 3.42Å; D145-K149 WeakPolarHBondContact O-CD 3.4Å; D145-K149 IonicContact OD1-NZ 3.18Å; D145-K149 PolarHBondContact OD1-NZ 3.5Å; D145-K149 IonicContact OD2-NZ 2.95Å; T146-K149 WeakPolarHBondContact O-CB 3.43Å; T146-K149 PolarHBondContact O-N 3.43Å; K149-K151 PolarHBondContact O-N 3.09Å; K149-K151 VanDerWaalsContact O-N 3.16Å
150G86.2Confident91.3Very high79 Ų7972.6 Ų72.681%0.81439%0.391SS*.THydrogen-bonded Turntrans69.32.7179.500000116.2W148W148-G150 PolarHBondContact O-N 3.36Å
151K92.3Very high91.3Very high105 Ų10573 Ų7346%0.45739%0.393SS..  trans-90.6118.4179.1-63.6-176.5-176158.50111.3R130 K147 W148 K149 V153 V154R130-K151 PolarHBondContact NH2-O 3.33Å; K147-K151 PolarHBondContact O-NZ 2.98Å; W148-K151 PolarHBondContact O-N 2.83Å; K149-K151 PolarHBondContact O-N 3.09Å; K149-K151 VanDerWaalsContact O-N 3.16Å; K151-V153 VanDerWaalsContact C-N 3.33Å; K151-V154 HydrophobicContact CB-CG2 4.32Å
152S92.1Very high91.5Very high81 Ų8173.3 Ų73.357%0.56639%0.391SS*.SBendtrans-77.1-21.1169.954.40000112.8V117 V118V117-S152 WeakPolarHBondContact CA-O 3.41Å; V118-S152 PolarHBondContact N-O 3.28Å
153V96.3Very high91.7Very high72 Ų7270.2 Ų70.244%0.43638%0.377SS..EExtended strand (participates in β ladder)trans-129.9125.4177.7-173.80000110.4V118 V120 K151 V155V118-V153 HydrophobicContact CB-CG2 4.5Å; V118-V153 CarbonylContact O-C 3.39Å; V118-V153 WeakPolarHBondContact O-CA 3.39Å; V120-V153 HydrophobicContact CG2-CG1 3.87Å; K151-V153 VanDerWaalsContact C-N 3.33Å; V153-V155 HydrophobicContact CG1-CG2 4.26Å
154V95.7Very high91.9Very high5 Ų572.7 Ų72.73%0.0339%0.392CS..EExtended strand (participates in β ladder)trans-116113.6177.5179.50000109V117 V118 F119 V120 W148 K151 L156V117-V154 HydrophobicContact CG2-CG2 4.13Å; V118-V154 PolarHBondContact O-N 2.9Å; F119-V154 CarbonylContact C-O 3.13Å; F119-V154 WeakPolarHBondContact CA-O 3.35Å; F119-V154 HydrophobicContact CD1-CB 3.77Å; F119-V154 HydrophobicContact CD1-CG1 3.8Å; F119-V154 HydrophobicContact CE1-CB 3.8Å; F119-V154 HydrophobicContact CE1-CG1 3.67Å; F119-V154 HydrophobicContact CE1-CG2 4.24Å; F119-V154 HydrophobicContact CG-CB 4.45Å; F119-V154 HydrophobicContact CZ-CB 4.49Å; V120-V154 PolarHBondContact N-O 3.05Å; W148-V154 HydrophobicContact CB-CG2 3.98Å; W148-V154 HydrophobicContact CD2-CG1 3.96Å; W148-V154 HydrophobicContact CD2-CG2 4.15Å; W148-V154 HydrophobicContact CG-CG1 4.1Å; W148-V154 HydrophobicContact CG-CG2 3.78Å; W148-V154 HydrophobicContact CZ2-CG1 4.02Å; K151-V154 HydrophobicContact CB-CG2 4.32Å; V154-L156 HydrophobicContact CG1-CD2 4.03Å; V154-L156 HydrophobicContact CG1-CG 4.39Å
155V96Very high92.1Very high77 Ų7772.1 Ų72.147%0.46739%0.389SS..EExtended strand (participates in β ladder)trans-96119.6-178.6-171.40000110.1V120 V153 R157V120-V155 HydrophobicContact CB-CG1 4.42Å; V120-V155 HydrophobicContact CB-CG2 4.34Å; V153-V155 HydrophobicContact CG1-CG2 4.26Å; V155-R157 HydrophobicContact CG1-CG 3.88Å
156L93.8Very high92.5Very high25 Ų2569.6 Ų69.613%0.13138%0.375CS..EExtended strand (participates in β ladder)trans-107.7108.7178.1-59-178.6000109.3F119 V120 V121 H122 W148 V154 I161 F166F119-L156 HydrophobicContact CD1-CD1 3.83Å; F119-L156 HydrophobicContact CD1-CG 4.26Å; F119-L156 HydrophobicContact CE1-CD1 4.42Å; V120-L156 PolarHBondContact O-N 3.32Å; V121-L156 HydrophobicContact CG2-CB 4.23Å; V121-L156 HydrophobicContact CG2-CD1 4.12Å; H122-L156 PolarHBondContact N-O 2.97Å; W148-L156 HydrophobicContact CZ2-CD2 4.16Å; V154-L156 HydrophobicContact CG1-CD2 4.03Å; V154-L156 HydrophobicContact CG1-CG 4.39Å; L156-I161 HydrophobicContact CB-CD1 4.15Å; L156-I161 HydrophobicContact CD1-CD1 4.32Å; L156-F166 HydrophobicContact CD1-CE2 4.14Å; L156-F166 HydrophobicContact CD1-CZ 4.29Å
157R91.8Very high92.8Very high204 Ų20467.1 Ų67.177%0.7737%0.365SS*.  trans-110.32.9-179.4-58.2-172178.9-170.1-1.2113.7V155V155-R157 HydrophobicContact CG1-CG 3.88Å
158H90.7Very high92.9Very high99 Ų9960.6 Ų60.646%0.45834%0.337SS..  trans-68.7126.9-173.5-172.2-83.7000110H122 L160 I161H122-H158 PolarHBondContact NE2-O 3.23Å; H158-L160 PolarHBondContact ND1-N 2.88Å; H158-L160 PolarHBondContact O-N 3.41Å; H158-I161 HydrophobicContact CB-CD1 3.79Å; H158-I161 HydrophobicContact CB-CG1 4.02Å; H158-I161 WeakPolarHBondContact O-CB 3.43Å; H158-I161 PolarHBondContact O-N 2.93Å
159P87.8Confident93.1Very high110 Ų11059.3 Ų59.371%0.71433%0.332SS*.THydrogen-bonded Turntrans-63.4-17.8-169.616-25.2000115.1I161P159-I161 VanDerWaalsContact C-N 3.32Å
160L89.8Confident93.5Very high86 Ų8653.3 Ų53.345%0.4531%0.306SS..THydrogen-bonded Turntrans-84.1-0.6175-57.1-178.4000114.3H158H158-L160 PolarHBondContact ND1-N 2.88Å; H158-L160 PolarHBondContact O-N 3.41Å
161I93.1Very high93.8Very high12 Ų1251 Ų516%0.06227%0.274CS..  trans-100.196.5-178.7-56.8179.1000108.9V121 H122 L156 H158 P159 F166 L191V121-I161 HydrophobicContact CG1-CG2 3.69Å; H122-I161 PolarHBondContact CD2-O 2.64Å; H122-I161 PolarHBondContact NE2-O 3.42Å; H122-I161 VanDerWaalsContact NE2-O 3.15Å; L156-I161 HydrophobicContact CB-CD1 4.15Å; L156-I161 HydrophobicContact CD1-CD1 4.32Å; H158-I161 HydrophobicContact CB-CD1 3.79Å; H158-I161 HydrophobicContact CB-CG1 4.02Å; H158-I161 WeakPolarHBondContact O-CB 3.43Å; H158-I161 PolarHBondContact O-N 2.93Å; P159-I161 VanDerWaalsContact C-N 3.32Å; I161-F166 HydrophobicContact CG2-CD2 4.48Å; I161-L191 HydrophobicContact CB-CD2 4.44Å; I161-L191 HydrophobicContact CG1-CD2 4.13Å; I161-L191 HydrophobicContact CG2-CD2 4.13Å
162N94.6Very high93.9Very high29 Ų2947 Ų4716%0.15526%0.256CS..  trans-76.3129.6176.9-174.1-45.4000110.8V164 A165 F166 H184 D187N162-V164 VanDerWaalsContact C-N 3.3Å; N162-V164 PolarHBondContact O-N 3.48Å; N162-V164 WeakPolarHBondContact OD1-CB 3.41Å; N162-V164 PolarHBondContact OD1-N 2.8Å; N162-A165 HydrophobicContact CB-CB 4.03Å; N162-A165 PolarHBondContact O-N 2.91Å; N162-F166 WeakPolarHBondContact O-CB 3.28Å; N162-F166 PolarHBondContact O-N 3.32Å; N162-H184 PolarHBondContact ND2-ND1 2.9Å; N162-D187 HydrophobicContact CB-CB 3.86Å; N162-D187 WeakPolarHBondContact CB-OD2 3.23Å; N162-D187 PolarHBondContact ND2-OD2 3.18Å
163P95.3Very high94Very high34 Ų3443.1 Ų43.122%0.22123%0.23CC..Hα-helixtrans-66.2-28-179.226.7-34.8000113.7V121 K124 F126 G167V121-P163 HydrophobicContact CB-CB 4.37Å; V121-P163 HydrophobicContact CG1-CB 4.03Å; K124-P163 HydrophobicContact CB-CB 4.48Å; K124-P163 HydrophobicContact CD-CB 4.28Å; F126-P163 HydrophobicContact CE2-CB 4.47Å; F126-P163 HydrophobicContact CZ-CB 4.46Å; F126-P163 VanDerWaalsContact CZ-O 3.3Å; F126-P163 WeakPolarHBondContact CZ-O 3.34Å; P163-G167 PolarHBondContact O-N 3.07Å; P163-G167 VanDerWaalsContact O-N 3.11Å
164V93.5Very high93.9Very high67 Ų6739.7 Ų39.741%0.40621%0.209SC..Hα-helixtrans-71.1-49.4176.2-178.40000109.7N162 F166 G167 A168N162-V164 VanDerWaalsContact C-N 3.3Å; N162-V164 PolarHBondContact O-N 3.48Å; N162-V164 WeakPolarHBondContact OD1-CB 3.41Å; N162-V164 PolarHBondContact OD1-N 2.8Å; V164-F166 VanDerWaalsContact C-N 3.32Å; V164-F166 PolarHBondContact O-N 2.95Å; V164-G167 PolarHBondContact O-N 3.3Å; V164-A168 PolarHBondContact O-N 3.24Å
165A95.8Very high93.6Very high0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-62.5-38.1176.800000112.4N162 A168 L169 I180 D187 C188 L191N162-A165 HydrophobicContact CB-CB 4.03Å; N162-A165 PolarHBondContact O-N 2.91Å; A165-A168 PolarHBondContact O-N 3.37Å; A165-L169 WeakPolarHBondContact O-CB 3.42Å; A165-L169 PolarHBondContact O-N 2.88Å; A165-I180 HydrophobicContact CB-CD1 4.18Å; A165-D187 HydrophobicContact CB-CB 3.86Å; A165-C188 HydrophobicContact CB-CB 4.07Å; A165-L191 HydrophobicContact CB-CD1 3.85Å
166F96.9Very high93.3Very high7 Ų736.3 Ų36.33%0.03119%0.19CC..Hα-helixtrans-64-40.8174.7-171.6-100.7000112F119 V121 F126 F140 L156 I161 N162 V164 L169 L170 L191F119-F166 HydrophobicContact CB-CE1 3.8Å; F119-F166 HydrophobicContact CB-CZ 4.01Å; F119-F166 HydrophobicContact CD1-CZ 4.02Å; F119-F166 HydrophobicContact CD2-CZ 4.4Å; F119-F166 HydrophobicContact CG-CE1 4.17Å; F119-F166 AromaticContact CG-CZ 3.89Å; F119-F166 HydrophobicContact CG-CZ 3.89Å; V121-F166 HydrophobicContact CG2-CD1 3.61Å; V121-F166 HydrophobicContact CG2-CE1 3.87Å; V121-F166 HydrophobicContact CG2-CG 3.99Å; V121-F166 HydrophobicContact CG2-CZ 4.47Å; F126-F166 HydrophobicContact CB-CE1 4.47Å; F126-F166 AromaticContact CD2-CD1 4Å; F126-F166 HydrophobicContact CD2-CD1 4Å; F126-F166 HydrophobicContact CD2-CE1 4.25Å; F126-F166 HydrophobicContact CE2-CD1 4.12Å; F126-F166 HydrophobicContact CG-CD1 4.25Å; F126-F166 HydrophobicContact CG-CE1 4.33Å; F126-F166 HydrophobicContact CZ-CD1 4.47Å; F140-F166 HydrophobicContact CZ-CE2 4.33Å; L156-F166 HydrophobicContact CD1-CE2 4.14Å; L156-F166 HydrophobicContact CD1-CZ 4.29Å; I161-F166 HydrophobicContact CG2-CD2 4.48Å; N162-F166 WeakPolarHBondContact O-CB 3.28Å; N162-F166 PolarHBondContact O-N 3.32Å; V164-F166 VanDerWaalsContact C-N 3.32Å; V164-F166 PolarHBondContact O-N 2.95Å; F166-L169 PolarHBondContact O-N 3.43Å; F166-L170 HydrophobicContact CD1-CD1 3.92Å; F166-L170 HydrophobicContact CD1-CG 4.29Å; F166-L170 HydrophobicContact CE1-CD1 3.62Å; F166-L170 HydrophobicContact CE1-CD2 4.39Å; F166-L170 HydrophobicContact CE1-CG 4.04Å; F166-L170 HydrophobicContact CZ-CD1 4.43Å; F166-L170 HydrophobicContact CZ-CD2 4.41Å; F166-L170 HydrophobicContact CZ-CG 4.47Å; F166-L170 WeakPolarHBondContact O-CG 3.29Å; F166-L170 PolarHBondContact O-N 3.33Å; F166-L191 HydrophobicContact CB-CD1 4.18Å
167G94.8Very high93Very high20 Ų2038.9 Ų38.921%0.20620%0.198CC..Hα-helixtrans-62.8-42.3174.100000113P163 V164 L169 L170 Q171P163-G167 PolarHBondContact O-N 3.07Å; P163-G167 VanDerWaalsContact O-N 3.11Å; V164-G167 PolarHBondContact O-N 3.3Å; G167-L169 VanDerWaalsContact C-N 3.35Å; G167-L170 WeakPolarHBondContact O-CB 3.4Å; G167-L170 PolarHBondContact O-N 3.12Å; G167-Q171 PolarHBondContact O-N 3.37Å
168A93.3Very high92.8Very high6 Ų629.1 Ų29.15%0.0516%0.161CC..Hα-helixtrans-63.7-39.8175.500000111.9V164 A165 Q171 Y172 L178 I180V164-A168 PolarHBondContact O-N 3.24Å; A165-A168 PolarHBondContact O-N 3.37Å; A168-Q171 WeakPolarHBondContact O-CB 3.32Å; A168-Q171 PolarHBondContact O-N 3.42Å; A168-Y172 PolarHBondContact O-N 2.71Å; A168-L178 HydrophobicContact CB-CD1 4.09Å; A168-L178 HydrophobicContact CB-CD2 4.36Å; A168-L178 HydrophobicContact CB-CG 3.98Å; A168-L178 WeakPolarHBondContact O-CD1 3.5Å; A168-I180 HydrophobicContact CB-CB 4.19Å; A168-I180 HydrophobicContact CB-CD1 4.12Å; A168-I180 HydrophobicContact CB-CG1 4.31Å
169L96.6Very high92.6Very high0 Ų027.8 Ų27.80%016%0.157CC..Hα-helixtrans-63.5-40.5173.8-175.5146.2000111.9F140 A165 F166 G167 Y172 L173 L191 C195 L197F140-L169 HydrophobicContact CE2-CD2 4.02Å; F140-L169 HydrophobicContact CZ-CD2 4.3Å; A165-L169 WeakPolarHBondContact O-CB 3.42Å; A165-L169 PolarHBondContact O-N 2.88Å; F166-L169 PolarHBondContact O-N 3.43Å; G167-L169 VanDerWaalsContact C-N 3.35Å; L169-Y172 PolarHBondContact O-N 3.22Å; L169-L173 HydrophobicContact CD2-CD1 3.69Å; L169-L173 HydrophobicContact CD2-CG 4.28Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 3.45Å; L169-L191 HydrophobicContact CD1-CB 3.83Å; L169-C195 HydrophobicContact CD1-CB 4.45Å; L169-L197 HydrophobicContact CD1-CD1 3.86Å; L169-L197 HydrophobicContact CD2-CD1 4.2Å; L169-L197 HydrophobicContact CG-CD1 3.88Å
170L96.5Very high92.7Very high1 Ų122.7 Ų22.71%0.00512%0.124CC..Hα-helixtrans-63.5-42.2173.1-69.7176.7000111.7L109 F126 V128 L133 F166 G167 Y172 L173 Y174L109-L170 HydrophobicContact CD1-CB 4.21Å; L109-L170 HydrophobicContact CD2-CB 4.41Å; F126-L170 HydrophobicContact CB-CD1 3.82Å; F126-L170 HydrophobicContact CD1-CD1 3.77Å; F126-L170 HydrophobicContact CG-CD1 3.97Å; V128-L170 HydrophobicContact CG1-CD1 3.67Å; V128-L170 HydrophobicContact CG1-CD2 3.96Å; V128-L170 HydrophobicContact CG1-CG 4.39Å; L133-L170 HydrophobicContact CD2-CD2 3.69Å; F166-L170 HydrophobicContact CD1-CD1 3.92Å; F166-L170 HydrophobicContact CD1-CG 4.29Å; F166-L170 HydrophobicContact CE1-CD1 3.62Å; F166-L170 HydrophobicContact CE1-CD2 4.39Å; F166-L170 HydrophobicContact CE1-CG 4.04Å; F166-L170 HydrophobicContact CZ-CD1 4.43Å; F166-L170 HydrophobicContact CZ-CD2 4.41Å; F166-L170 HydrophobicContact CZ-CG 4.47Å; F166-L170 WeakPolarHBondContact O-CG 3.29Å; F166-L170 PolarHBondContact O-N 3.33Å; G167-L170 WeakPolarHBondContact O-CB 3.4Å; G167-L170 PolarHBondContact O-N 3.12Å; L170-Y172 VanDerWaalsContact C-N 3.28Å; L170-Y172 PolarHBondContact O-N 3.38Å; L170-L173 HydrophobicContact CD2-CD1 4.49Å; L170-L173 PolarHBondContact O-N 2.94Å; L170-L173 VanDerWaalsContact O-N 3.16Å; L170-Y174 VanDerWaalsContact O-CD2 3.31Å; L170-Y174 WeakPolarHBondContact O-CD2 3.45Å; L170-Y174 PolarHBondContact O-N 2.93Å
171Q93.4Very high92.3Very high30 Ų3019.2 Ų19.214%0.1411%0.109CC..Hα-helixtrans-54.4-47.1174.9-168.5-17111.200110.7L109 G167 A168 L173 Y174 T175 R177 D179L109-Q171 HydrophobicContact CD2-CB 4.36Å; G167-Q171 PolarHBondContact O-N 3.37Å; A168-Q171 WeakPolarHBondContact O-CB 3.32Å; A168-Q171 PolarHBondContact O-N 3.42Å; Q171-L173 PolarHBondContact O-N 3.49Å; Q171-Y174 PolarHBondContact O-N 3.26Å; Q171-Y174 VanDerWaalsContact O-N 3.13Å; Q171-T175 PolarHBondContact O-N 2.84Å; Q171-T175 PolarHBondContact O-OG1 3.19Å; Q171-R177 CarbonylContact C-O 3.58Å; Q171-R177 VanDerWaalsContact C-O 3.24Å; Q171-R177 WeakPolarHBondContact CG-O 3.32Å; Q171-D179 PolarHBondContact NE2-OD2 3.29Å; Q171-D179 VanDerWaalsContact NE2-OD2 3.13Å
172Y94Very high91.9Very high21 Ų2121.9 Ų21.98%0.08213%0.125CC..Hα-helixtrans-60.6-44.2176.8-179.8-97.8000113.3R136 A168 L169 L170 Y174 G176 R177 L178 L200R136-Y172 PolarHBondContact NH1-O 3.43Å; A168-Y172 PolarHBondContact O-N 2.71Å; L169-Y172 PolarHBondContact O-N 3.22Å; L170-Y172 VanDerWaalsContact C-N 3.28Å; L170-Y172 PolarHBondContact O-N 3.38Å; Y172-Y174 PolarHBondContact O-N 2.85Å; Y172-G176 WeakPolarHBondContact CD2-O 3.21Å; Y172-G176 VanDerWaalsContact O-CA 3.24Å; Y172-G176 WeakPolarHBondContact O-CA 3.38Å; Y172-G176 PolarHBondContact O-N 3.46Å; Y172-R177 WeakPolarHBondContact CA-O 3.36Å; Y172-R177 PolarHBondContact N-O 3.37Å; Y172-R177 VanDerWaalsContact N-O 3.09Å; Y172-L178 HydrophobicContact CD2-CB 4.41Å; Y172-L200 HydrophobicContact CD1-CB 4.21Å; Y172-L200 HydrophobicContact CD1-CD1 4.46Å; Y172-L200 HydrophobicContact CD1-CD2 3.83Å; Y172-L200 HydrophobicContact CD1-CG 4.38Å; Y172-L200 HydrophobicContact CD2-CD1 3.73Å; Y172-L200 HydrophobicContact CD2-CD2 4.48Å; Y172-L200 HydrophobicContact CD2-CG 4.49Å; Y172-L200 HydrophobicContact CE1-CB 3.73Å; Y172-L200 HydrophobicContact CE1-CD2 4.23Å; Y172-L200 HydrophobicContact CE1-CG 4.37Å; Y172-L200 HydrophobicContact CE2-CB 4.2Å; Y172-L200 HydrophobicContact CE2-CD1 3.8Å; Y172-L200 HydrophobicContact CE2-CG 4.46Å; Y172-L200 HydrophobicContact CG-CD1 4.06Å; Y172-L200 HydrophobicContact CG-CD2 3.95Å; Y172-L200 HydrophobicContact CG-CG 4.43Å
173L95.1Very high91.6Very high1 Ų126.7 Ų26.71%0.00515%0.147CC..Hα-helixtrans-62.9-31.3177.3-67.1175.4000111.9L133 R136 F140 L169 L170 Q171 L197L133-L173 HydrophobicContact CD2-CB 4.43Å; L133-L173 HydrophobicContact CD2-CD1 3.51Å; R136-L173 HydrophobicContact CB-CB 4.38Å; R136-L173 HydrophobicContact CB-CD2 3.66Å; R136-L173 VanDerWaalsContact CG-O 3.3Å; R136-L173 WeakPolarHBondContact CG-O 3.35Å; R136-L173 PolarHBondContact NH1-O 2.59Å; F140-L173 HydrophobicContact CD2-CD1 4.07Å; F140-L173 HydrophobicContact CE2-CD1 3.79Å; L169-L173 HydrophobicContact CD2-CD1 3.69Å; L169-L173 HydrophobicContact CD2-CG 4.28Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 3.45Å; L170-L173 HydrophobicContact CD2-CD1 4.49Å; L170-L173 PolarHBondContact O-N 2.94Å; L170-L173 VanDerWaalsContact O-N 3.16Å; Q171-L173 PolarHBondContact O-N 3.49Å; L173-L197 HydrophobicContact CD2-CD1 3.99Å; L173-L197 HydrophobicContact CD2-CD2 3.88Å
174Y94.1Very high91.4Very high0 Ų027.1 Ų27.10%015%0.146CC..Hα-helixtrans-83.9-44.3178.1-83.7-103.6000113L105 L108 L109 H129 V132 L133 L170 Q171 Y172L105-Y174 WeakPolarHBondContact CB-O 3.5Å; L105-Y174 VanDerWaalsContact CD1-O 3.31Å; L105-Y174 WeakPolarHBondContact CD1-O 3.24Å; L108-Y174 HydrophobicContact CD2-CE1 4.04Å; L108-Y174 HydrophobicContact CG-CE1 4.12Å; L109-Y174 HydrophobicContact CB-CD1 3.8Å; L109-Y174 HydrophobicContact CB-CD2 4.22Å; L109-Y174 HydrophobicContact CB-CE1 4.25Å; L109-Y174 HydrophobicContact CB-CG 3.79Å; L109-Y174 HydrophobicContact CD1-CD2 3.89Å; L109-Y174 HydrophobicContact CD1-CE2 3.86Å; L109-Y174 HydrophobicContact CD1-CG 4.35Å; L109-Y174 HydrophobicContact CD2-CD2 4.17Å; L109-Y174 HydrophobicContact CD2-CG 4.2Å; L109-Y174 HydrophobicContact CG-CD2 4.31Å; L109-Y174 HydrophobicContact CG-CG 4.33Å; H129-Y174 VanDerWaalsContact CB-OH 3.26Å; H129-Y174 WeakPolarHBondContact CB-OH 3.21Å; H129-Y174 PolarHBondContact N-OH 3.12Å; H129-Y174 AromaticContact ND1-CE1 3.76Å; H129-Y174 AromaticContact ND1-CZ 3.69Å; H129-Y174 PolarHBondContact ND1-OH 2.96Å; V132-Y174 HydrophobicContact CB-CE1 4.08Å; V132-Y174 HydrophobicContact CB-CE2 4.29Å; V132-Y174 HydrophobicContact CG1-CD1 4.03Å; V132-Y174 HydrophobicContact CG1-CD2 3.87Å; V132-Y174 HydrophobicContact CG1-CE1 3.82Å; V132-Y174 HydrophobicContact CG1-CE2 3.68Å; V132-Y174 HydrophobicContact CG1-CG 4.05Å; V132-Y174 HydrophobicContact CG2-CE1 3.88Å; L133-Y174 HydrophobicContact CD2-CE2 4.48Å; L170-Y174 VanDerWaalsContact O-CD2 3.31Å; L170-Y174 WeakPolarHBondContact O-CD2 3.45Å; L170-Y174 PolarHBondContact O-N 2.93Å; Q171-Y174 PolarHBondContact O-N 3.26Å; Q171-Y174 VanDerWaalsContact O-N 3.13Å; Y172-Y174 PolarHBondContact O-N 2.85Å
175T88.8Confident91.4Very high2 Ų224.5 Ų24.51%0.01213%0.13CC..Hα-helixtrans-119.2-4.7-166.264.40000114.3L105 Q106 Q171 R177L105-T175 HydrophobicContact CB-CG2 4.31Å; Q106-T175 HydrophobicContact CB-CG2 3.98Å; Q106-T175 VanDerWaalsContact OE1-CG2 3.25Å; Q171-T175 PolarHBondContact O-N 2.84Å; Q171-T175 PolarHBondContact O-OG1 3.19Å; T175-R177 PolarHBondContact O-N 3.43Å; T175-R177 VanDerWaalsContact O-N 3.11Å; T175-R177 PolarHBondContact OG1-N 3.34Å
176G89.4Confident91.3Very high8 Ų827.6 Ų27.68%0.08215%0.152CC..SBendtrans68.2-1.5-169.400000113.7Y172Y172-G176 WeakPolarHBondContact CD2-O 3.21Å; Y172-G176 VanDerWaalsContact O-CA 3.24Å; Y172-G176 WeakPolarHBondContact O-CA 3.38Å; Y172-G176 PolarHBondContact O-N 3.46Å
177R87.1Confident91.2Very high79 Ų7928.8 Ų28.830%0.29816%0.159SC..  trans-101.5145.6176.4-61.7177.3-173.8-125.84.8110.2Q171 Y172 T175 I228 E229 P230Q171-R177 CarbonylContact C-O 3.58Å; Q171-R177 VanDerWaalsContact C-O 3.24Å; Q171-R177 WeakPolarHBondContact CG-O 3.32Å; Y172-R177 WeakPolarHBondContact CA-O 3.36Å; Y172-R177 PolarHBondContact N-O 3.37Å; Y172-R177 VanDerWaalsContact N-O 3.09Å; T175-R177 PolarHBondContact O-N 3.43Å; T175-R177 VanDerWaalsContact O-N 3.11Å; T175-R177 PolarHBondContact OG1-N 3.34Å; R177-I228 CarbonylContact C-O 3.48Å; R177-I228 VanDerWaalsContact CA-O 3.28Å; R177-I228 WeakPolarHBondContact CA-O 3.48Å; R177-E229 IonicContact NH1-OE1 3.96Å; R177-E229 PolarHBondContact NH1-OE1 3.3Å; R177-E229 VanDerWaalsContact NH1-OE1 3.08Å; R177-P230 VanDerWaalsContact CG-CD 3.48Å; R177-P230 HydrophobicContact CG-CG 4.34Å
178L89.4Confident91.2Very high0 Ų027.9 Ų27.90%015%0.149CC..EExtended strand (participates in β ladder)trans-137.6123.7176.7-175.2145000110.2A168 Y172 I180 L200 L204 T227 I228A168-L178 HydrophobicContact CB-CD1 4.09Å; A168-L178 HydrophobicContact CB-CD2 4.36Å; A168-L178 HydrophobicContact CB-CG 3.98Å; A168-L178 WeakPolarHBondContact O-CD1 3.5Å; Y172-L178 HydrophobicContact CD2-CB 4.41Å; L178-I180 HydrophobicContact CD2-CB 3.74Å; L178-I180 HydrophobicContact CD2-CG2 3.48Å; L178-I180 VanDerWaalsContact CD2-CG2 3.48Å; L178-L200 HydrophobicContact CD1-CD1 3.97Å; L178-L200 HydrophobicContact CD1-CD2 3.99Å; L178-L204 HydrophobicContact CD2-CD2 4.3Å; L178-T227 CarbonylContact O-C 3.57Å; L178-T227 WeakPolarHBondContact O-CA 3.28Å; L178-I228 HydrophobicContact CB-CB 3.99Å; L178-I228 HydrophobicContact CB-CG1 4.15Å; L178-I228 HydrophobicContact CD2-CG1 4.29Å; L178-I228 PolarHBondContact N-O 3.19Å; L178-I228 PolarHBondContact O-N 2.99Å
179D86.2Confident91.3Very high70 Ų7030.6 Ų30.637%0.37416%0.161SC..EExtended strand (participates in β ladder)trans-111.5123.6169.7-65.7-57.6000110.2Q171 T227Q171-D179 PolarHBondContact NE2-OD2 3.29Å; Q171-D179 VanDerWaalsContact NE2-OD2 3.13Å; D179-T227 WeakPolarHBondContact OD1-CB 3.33Å; D179-T227 WeakPolarHBondContact OD1-CG2 3.49Å; D179-T227 PolarHBondContact OD1-OG1 3.03Å
180I89.1Confident91.2Very high3 Ų335.3 Ų35.32%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-144140.9179.1-163.8167.2000112.8A165 A168 L178 H184 V185 C188 V225 L226A165-I180 HydrophobicContact CB-CD1 4.18Å; A168-I180 HydrophobicContact CB-CB 4.19Å; A168-I180 HydrophobicContact CB-CD1 4.12Å; A168-I180 HydrophobicContact CB-CG1 4.31Å; L178-I180 HydrophobicContact CD2-CB 3.74Å; L178-I180 HydrophobicContact CD2-CG2 3.48Å; L178-I180 VanDerWaalsContact CD2-CG2 3.48Å; I180-H184 HydrophobicContact CD1-CB 3.82Å; I180-H184 WeakPolarHBondContact CD1-O 3.48Å; I180-H184 HydrophobicContact CG1-CB 3.84Å; I180-V185 HydrophobicContact CG2-CG2 3.92Å; I180-C188 HydrophobicContact CD1-CB 3.34Å; I180-V225 WeakPolarHBondContact O-CA 3.48Å; I180-L226 HydrophobicContact CG2-CB 4.34Å; I180-L226 HydrophobicContact CG2-CD2 4.48Å; I180-L226 PolarHBondContact N-O 3.44Å; I180-L226 PolarHBondContact O-N 3.42Å
181G80.6Confident91.2Very high14 Ų1435.6 Ų35.614%0.14418%0.18CC..EExtended strand (participates in β ladder)trans-61.9139.6169.600000110.9E183 H184 V185 K224G181-E183 PolarHBondContact O-N 3.34Å; G181-E183 VanDerWaalsContact O-N 3.12Å; G181-H184 PolarHBondContact O-N 3.17Å; G181-V185 PolarHBondContact O-N 3.15Å; G181-K224 WeakPolarHBondContact CA-O 3.13Å
182V85.5Confident91.3Very high67 Ų6734.1 Ų34.141%0.40617%0.173SC..G310 helixtrans-57.2-30.9-178.6173.90000111.4H184 V185 V223 K224V182-H184 PolarHBondContact O-N 2.99Å; V182-V185 PolarHBondContact O-N 3.14Å; V182-V223 HydrophobicContact CG2-CG1 4.38Å; V182-K224 PolarHBondContact N-O 3.48Å
183E88.3Confident91.3Very high130 Ų13039.7 Ų39.761%0.60720%0.198SC*.G310 helixtrans-63.4-21174.866.4-87.1-161.500114.6G181G181-E183 PolarHBondContact O-N 3.34Å; G181-E183 VanDerWaalsContact O-N 3.12Å
184H92Very high91.1Very high43 Ų4344 Ų4420%0.19922%0.218CC..G310 helixtrans-110.91.4-175.1-63.3-43.2000113.6N162 I180 G181 V182 S186 D187 C188N162-H184 PolarHBondContact ND2-ND1 2.9Å; I180-H184 HydrophobicContact CD1-CB 3.82Å; I180-H184 WeakPolarHBondContact CD1-O 3.48Å; I180-H184 HydrophobicContact CG1-CB 3.84Å; G181-H184 PolarHBondContact O-N 3.17Å; V182-H184 PolarHBondContact O-N 2.99Å; H184-S186 PolarHBondContact O-N 3.27Å; H184-D187 PolarHBondContact O-N 3.27Å; H184-C188 PolarHBondContact O-N 3.33Å
185V93.3Very high91.1Very high13 Ų1344.4 Ų44.48%0.07922%0.22CC..Hα-helixtrans-57.3-47-179.5171.90000111.5I180 G181 V182 D187 C188 E189I180-V185 HydrophobicContact CG2-CG2 3.92Å; G181-V185 PolarHBondContact O-N 3.15Å; V182-V185 PolarHBondContact O-N 3.14Å; V185-D187 VanDerWaalsContact C-N 3.28Å; V185-D187 PolarHBondContact O-N 3.07Å; V185-C188 CarbonylContact O-C 3.44Å; V185-C188 WeakPolarHBondContact O-CA 3.35Å; V185-C188 WeakPolarHBondContact O-CB 3.34Å; V185-C188 PolarHBondContact O-N 2.89Å; V185-E189 HydrophobicContact CG1-CG 4.31Å; V185-E189 WeakPolarHBondContact O-CG 3.27Å; V185-E189 PolarHBondContact O-N 2.86Å
186S93.5Very high91.3Very high65 Ų6549.4 Ų49.446%0.45524%0.243SC..Hα-helixtrans-62.7-31.5180650000113.9H184 R190H184-S186 PolarHBondContact O-N 3.27Å; S186-R190 PolarHBondContact O-N 3.41Å
187D94.9Very high91.4Very high32 Ų3249.7 Ų49.717%0.17124%0.243CC..Hα-helixtrans-72.1-38.2173.6-72.4-32.2000110.7N162 A165 H184 V185 R190 L191N162-D187 HydrophobicContact CB-CB 3.86Å; N162-D187 WeakPolarHBondContact CB-OD2 3.23Å; N162-D187 PolarHBondContact ND2-OD2 3.18Å; A165-D187 HydrophobicContact CB-CB 3.86Å; H184-D187 PolarHBondContact O-N 3.27Å; V185-D187 VanDerWaalsContact C-N 3.28Å; V185-D187 PolarHBondContact O-N 3.07Å; D187-R190 PolarHBondContact O-N 3.41Å; D187-R190 IonicContact OD1-CZ 2.87Å; D187-R190 IonicContact OD1-NH1 2.67Å; D187-R190 PolarHBondContact OD1-NH1 3.18Å; D187-L191 WeakPolarHBondContact O-CG 3.15Å; D187-L191 PolarHBondContact O-N 3.23Å
188C95Very high91.7Very high0 Ų053.2 Ų53.20%026%0.257CS..Hα-helixtrans-66.9-44.1176.2-171.30000112.4A165 I180 H184 V185 R190 L191 A192A165-C188 HydrophobicContact CB-CB 4.07Å; I180-C188 HydrophobicContact CD1-CB 3.34Å; H184-C188 PolarHBondContact O-N 3.33Å; V185-C188 CarbonylContact O-C 3.44Å; V185-C188 WeakPolarHBondContact O-CA 3.35Å; V185-C188 WeakPolarHBondContact O-CB 3.34Å; V185-C188 PolarHBondContact O-N 2.89Å; C188-R190 VanDerWaalsContact C-N 3.29Å; C188-R190 PolarHBondContact O-N 3.41Å; C188-L191 PolarHBondContact O-N 2.96Å; C188-L191 VanDerWaalsContact O-N 3.15Å; C188-A192 WeakPolarHBondContact O-CB 3.13Å; C188-A192 PolarHBondContact O-N 2.87Å
189E95.1Very high91.8Very high63 Ų6357.1 Ų57.129%0.29428%0.277SS..Hα-helixtrans-57-44.3173.5-71.6172.7165.900111.1V185 L191 A192 K193 L201 L204V185-E189 HydrophobicContact CG1-CG 4.31Å; V185-E189 WeakPolarHBondContact O-CG 3.27Å; V185-E189 PolarHBondContact O-N 2.86Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-L191 PolarHBondContact O-N 2.96Å; E189-A192 PolarHBondContact O-N 3.39Å; E189-K193 WeakPolarHBondContact O-CB 3.49Å; E189-K193 PolarHBondContact O-N 3.21Å; E189-L201 HydrophobicContact CB-CD2 4.24Å; E189-L201 WeakPolarHBondContact O-CD2 3.42Å; E189-L204 HydrophobicContact CG-CD1 4.19Å
190R94.9Very high92.1Very high100 Ų10053.8 Ų53.838%0.37726%0.259SS..Hα-helixtrans-59.8-45.2176.1-173.1-176.3-61124.56.8111.7S186 D187 C188 Q194S186-R190 PolarHBondContact O-N 3.41Å; D187-R190 PolarHBondContact O-N 3.41Å; D187-R190 IonicContact OD1-CZ 2.87Å; D187-R190 IonicContact OD1-NH1 2.67Å; D187-R190 PolarHBondContact OD1-NH1 3.18Å; C188-R190 VanDerWaalsContact C-N 3.29Å; C188-R190 PolarHBondContact O-N 3.41Å; R190-Q194 WeakPolarHBondContact O-CB 3.38Å; R190-Q194 PolarHBondContact O-N 3.09Å
191L95Very high92.3Very high6 Ų654.4 Ų54.43%0.03126%0.263CS..Hα-helixtrans-68.5-42.9179.3-70.3176.6000112.3I161 A165 F166 L169 D187 C188 E189 K193 Q194 C195I161-L191 HydrophobicContact CB-CD2 4.44Å; I161-L191 HydrophobicContact CG1-CD2 4.13Å; I161-L191 HydrophobicContact CG2-CD2 4.13Å; A165-L191 HydrophobicContact CB-CD1 3.85Å; F166-L191 HydrophobicContact CB-CD1 4.18Å; L169-L191 HydrophobicContact CD1-CB 3.83Å; D187-L191 WeakPolarHBondContact O-CG 3.15Å; D187-L191 PolarHBondContact O-N 3.23Å; C188-L191 PolarHBondContact O-N 2.96Å; C188-L191 VanDerWaalsContact O-N 3.15Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-L191 PolarHBondContact O-N 2.96Å; L191-K193 VanDerWaalsContact C-N 3.31Å; L191-K193 PolarHBondContact O-N 3.1Å; L191-Q194 PolarHBondContact O-N 3.45Å; L191-Q194 VanDerWaalsContact O-N 3.17Å; L191-C195 WeakPolarHBondContact O-CB 3.3Å; L191-C195 PolarHBondContact O-N 3.07Å; L191-C195 PolarHBondContact O-SG 3.05Å
192A95.3Very high92.9Very high0 Ų057.1 Ų57.10%028%0.28CS..Hα-helixtrans-59.4-43.8176.800000110.8C188 E189 Q194 C195 Q196 L197 L200 L201C188-A192 WeakPolarHBondContact O-CB 3.13Å; C188-A192 PolarHBondContact O-N 2.87Å; E189-A192 PolarHBondContact O-N 3.39Å; A192-Q194 PolarHBondContact O-N 2.55Å; A192-C195 CarbonylContact O-C 3.59Å; A192-C195 PolarHBondContact O-N 2.98Å; A192-Q196 PolarHBondContact O-N 2.85Å; A192-L197 HydrophobicContact CB-CB 4.33Å; A192-L197 PolarHBondContact O-N 2.85Å; A192-L200 HydrophobicContact CB-CD2 3.99Å; A192-L200 HydrophobicContact CB-CG 4.35Å; A192-L201 HydrophobicContact CB-CD2 3.82Å; A192-L201 HydrophobicContact CB-CG 3.91Å
193K94.7Very high93.1Very high138 Ų13856.4 Ų56.460%0.627%0.274SS*.Hα-helixtrans-61.8-43.1173.7-170.7171.9-175.8167.90112.9E189 L191 C195 Q196 W198 L201E189-K193 WeakPolarHBondContact O-CB 3.49Å; E189-K193 PolarHBondContact O-N 3.21Å; L191-K193 VanDerWaalsContact C-N 3.31Å; L191-K193 PolarHBondContact O-N 3.1Å; K193-C195 VanDerWaalsContact C-N 3.32Å; K193-C195 PolarHBondContact O-N 2.85Å; K193-Q196 PolarHBondContact O-N 3.44Å; K193-W198 HydrophobicContact CG-CZ3 4.41Å; K193-L201 HydrophobicContact CB-CD1 3.96Å; K193-L201 HydrophobicContact CB-CD2 4.42Å; K193-L201 HydrophobicContact CG-CD1 4.41Å
194Q91.9Very high93.3Very high92 Ų9250.2 Ų50.243%0.4325%0.245SC..Hα-helixtrans-65.6-36.7177.1-177.4175.3-25.400112.1Y139 R190 L191 A192 Q196Y139-Q194 WeakPolarHBondContact CD2-O 3.44Å; R190-Q194 WeakPolarHBondContact O-CB 3.38Å; R190-Q194 PolarHBondContact O-N 3.09Å; L191-Q194 PolarHBondContact O-N 3.45Å; L191-Q194 VanDerWaalsContact O-N 3.17Å; A192-Q194 PolarHBondContact O-N 2.55Å; Q194-Q196 VanDerWaalsContact C-N 3.26Å; Q194-Q196 PolarHBondContact O-N 3.21Å
195C92.5Very high93.3Very high7 Ų753.6 Ų53.65%0.04726%0.26CS..THydrogen-bonded Turntrans-85.45178.7-57.20000113.4S137 Y139 F140 L169 L191 A192 K193 L197S137-C195 PolarHBondContact OG-O 3.17Å; S137-C195 VanDerWaalsContact OG-O 3.14Å; Y139-C195 WeakPolarHBondContact CB-O 3.3Å; Y139-C195 HydrophobicContact CD1-CB 4.1Å; F140-C195 HydrophobicContact CE2-CB 4.15Å; L169-C195 HydrophobicContact CD1-CB 4.45Å; L191-C195 WeakPolarHBondContact O-CB 3.3Å; L191-C195 PolarHBondContact O-N 3.07Å; L191-C195 PolarHBondContact O-SG 3.05Å; A192-C195 CarbonylContact O-C 3.59Å; A192-C195 PolarHBondContact O-N 2.98Å; K193-C195 VanDerWaalsContact C-N 3.32Å; K193-C195 PolarHBondContact O-N 2.85Å; C195-L197 VanDerWaalsContact C-N 3.26Å; C195-L197 HydrophobicContact CB-CD1 4.14Å; C195-L197 HydrophobicContact CB-CG 3.99Å; C195-L197 PolarHBondContact O-N 3.48Å
196Q92.9Very high93.2Very high107 Ų10754.7 Ų54.750%0.527%0.271SS..THydrogen-bonded Turntrans57.934.6179.7-55.6175.7-8.300113.6A192 K193 Q194 W198A192-Q196 PolarHBondContact O-N 2.85Å; K193-Q196 PolarHBondContact O-N 3.44Å; Q194-Q196 VanDerWaalsContact C-N 3.26Å; Q194-Q196 PolarHBondContact O-N 3.21Å; Q196-W198 PolarHBondContact O-N 2.97Å
197L93.3Very high93Very high14 Ų1455.2 Ų55.27%0.07327%0.265CS..  trans-90.676177.3-57.7177.4000109.7L169 L173 A192 C195 L200 L201L169-L197 HydrophobicContact CD1-CD1 3.86Å; L169-L197 HydrophobicContact CD2-CD1 4.2Å; L169-L197 HydrophobicContact CG-CD1 3.88Å; L173-L197 HydrophobicContact CD2-CD1 3.99Å; L173-L197 HydrophobicContact CD2-CD2 3.88Å; A192-L197 HydrophobicContact CB-CB 4.33Å; A192-L197 PolarHBondContact O-N 2.85Å; C195-L197 VanDerWaalsContact C-N 3.26Å; C195-L197 HydrophobicContact CB-CD1 4.14Å; C195-L197 HydrophobicContact CB-CG 3.99Å; C195-L197 PolarHBondContact O-N 3.48Å; L197-L200 HydrophobicContact CB-CB 4.12Å; L197-L200 HydrophobicContact CD1-CD2 4.26Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 3.27Å
198W92Very high92.6Very high154 Ų15455.3 Ų55.358%0.58327%0.268SS*.Hα-helixtrans-68.1-37.8-173.4-55.2110.4000113.5K193 Q196 L201 S202K193-W198 HydrophobicContact CG-CZ3 4.41Å; Q196-W198 PolarHBondContact O-N 2.97Å; W198-L201 HydrophobicContact CE3-CD1 3.63Å; W198-L201 HydrophobicContact CZ3-CD1 3.9Å; W198-L201 WeakPolarHBondContact O-CB 3.1Å; W198-L201 PolarHBondContact O-N 3.11Å; W198-S202 PolarHBondContact O-N 3.3Å
199D91.2Very high92.3Very high81 Ų8161.6 Ų61.643%0.43330%0.297SS..Hα-helixtrans-60.7-47.6176.8-72.611.7000111L201 S202 D203 R236D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 2.81Å; D199-S202 PolarHBondContact O-N 3.23Å; D199-D203 PolarHBondContact O-N 3.31Å; D199-R236 IonicContact OD2-NH1 2.82Å; D199-R236 PolarHBondContact OD2-NH1 3.17Å
200L92.6Very high91.9Very high0 Ų064.7 Ų64.70%031%0.31CS..Hα-helixtrans-59.8-39.7175.9177.757.6000112.3Y172 L178 A192 L197 D203 L204 I228Y172-L200 HydrophobicContact CD1-CB 4.21Å; Y172-L200 HydrophobicContact CD1-CD1 4.46Å; Y172-L200 HydrophobicContact CD1-CD2 3.83Å; Y172-L200 HydrophobicContact CD1-CG 4.38Å; Y172-L200 HydrophobicContact CD2-CD1 3.73Å; Y172-L200 HydrophobicContact CD2-CD2 4.48Å; Y172-L200 HydrophobicContact CD2-CG 4.49Å; Y172-L200 HydrophobicContact CE1-CB 3.73Å; Y172-L200 HydrophobicContact CE1-CD2 4.23Å; Y172-L200 HydrophobicContact CE1-CG 4.37Å; Y172-L200 HydrophobicContact CE2-CB 4.2Å; Y172-L200 HydrophobicContact CE2-CD1 3.8Å; Y172-L200 HydrophobicContact CE2-CG 4.46Å; Y172-L200 HydrophobicContact CG-CD1 4.06Å; Y172-L200 HydrophobicContact CG-CD2 3.95Å; Y172-L200 HydrophobicContact CG-CG 4.43Å; L178-L200 HydrophobicContact CD1-CD1 3.97Å; L178-L200 HydrophobicContact CD1-CD2 3.99Å; A192-L200 HydrophobicContact CB-CD2 3.99Å; A192-L200 HydrophobicContact CB-CG 4.35Å; L197-L200 HydrophobicContact CB-CB 4.12Å; L197-L200 HydrophobicContact CD1-CD2 4.26Å; L200-D203 PolarHBondContact O-N 2.97Å; L200-L204 HydrophobicContact CD1-CD1 4.05Å; L200-L204 HydrophobicContact CD1-CG 3.99Å; L200-L204 HydrophobicContact CG-CD1 3.92Å; L200-L204 HydrophobicContact CG-CG 4.34Å; L200-L204 WeakPolarHBondContact O-CB 3.32Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.24Å; L200-L204 PolarHBondContact O-N 3.33Å; L200-I228 HydrophobicContact CD1-CG1 4.46Å
201L93.6Very high91.4Very high17 Ų1761.8 Ų61.89%0.08930%0.303CS..Hα-helixtrans-61.1-47176.5-76.8170.4000111.2E189 A192 K193 L197 W198 D199 D203 L204 E205E189-L201 HydrophobicContact CB-CD2 4.24Å; E189-L201 WeakPolarHBondContact O-CD2 3.42Å; A192-L201 HydrophobicContact CB-CD2 3.82Å; A192-L201 HydrophobicContact CB-CG 3.91Å; K193-L201 HydrophobicContact CB-CD1 3.96Å; K193-L201 HydrophobicContact CB-CD2 4.42Å; K193-L201 HydrophobicContact CG-CD1 4.41Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 3.27Å; W198-L201 HydrophobicContact CE3-CD1 3.63Å; W198-L201 HydrophobicContact CZ3-CD1 3.9Å; W198-L201 WeakPolarHBondContact O-CB 3.1Å; W198-L201 PolarHBondContact O-N 3.11Å; D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 2.81Å; L201-D203 VanDerWaalsContact C-N 3.32Å; L201-D203 PolarHBondContact O-N 3.37Å; L201-L204 PolarHBondContact O-N 2.9Å; L201-E205 WeakPolarHBondContact O-CB 3.42Å; L201-E205 WeakPolarHBondContact O-CG 3.33Å; L201-E205 PolarHBondContact O-N 3.25Å
202S92.8Very high90.8Very high71 Ų7165 Ų6550%0.49733%0.325SS..Hα-helixtrans-62.4-41178-171.40000111.8W198 D199 E205 A206W198-S202 PolarHBondContact O-N 3.3Å; D199-S202 PolarHBondContact O-N 3.23Å; S202-E205 PolarHBondContact O-N 3.14Å; S202-A206 WeakPolarHBondContact O-CB 3.36Å; S202-A206 PolarHBondContact O-N 3.26Å
203D91.4Very high90.4Very high52 Ų5271.7 Ų71.728%0.27836%0.357SS..Hα-helixtrans-65.9-40.8177.8-73.1-26.5000112.4D199 L200 L201 K207 I228D199-D203 PolarHBondContact O-N 3.31Å; L200-D203 PolarHBondContact O-N 2.97Å; L201-D203 VanDerWaalsContact C-N 3.32Å; L201-D203 PolarHBondContact O-N 3.37Å; D203-K207 VanDerWaalsContact O-CB 3.29Å; D203-K207 WeakPolarHBondContact O-CB 3.46Å; D203-K207 WeakPolarHBondContact O-CG 3.43Å; D203-K207 PolarHBondContact O-N 2.86Å; D203-I228 HydrophobicContact CB-CD1 4.39Å; D203-I228 HydrophobicContact CB-CG2 3.99Å
204L91.9Very high89.6Confident0 Ų069.3 Ų69.30%035%0.347CS..Hα-helixtrans-63.2-48.9175.2-77.6169.2000111.1L178 E189 L200 L201 A206 K207 C208 L226 I228L178-L204 HydrophobicContact CD2-CD2 4.3Å; E189-L204 HydrophobicContact CG-CD1 4.19Å; L200-L204 HydrophobicContact CD1-CD1 4.05Å; L200-L204 HydrophobicContact CD1-CG 3.99Å; L200-L204 HydrophobicContact CG-CD1 3.92Å; L200-L204 HydrophobicContact CG-CG 4.34Å; L200-L204 WeakPolarHBondContact O-CB 3.32Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.24Å; L200-L204 PolarHBondContact O-N 3.33Å; L201-L204 PolarHBondContact O-N 2.9Å; L204-A206 PolarHBondContact O-N 2.76Å; L204-K207 PolarHBondContact O-N 3.45Å; L204-C208 WeakPolarHBondContact O-CB 3.48Å; L204-C208 PolarHBondContact O-N 3.46Å; L204-C208 PolarHBondContact O-SG 3.46Å; L204-L226 HydrophobicContact CD2-CD2 3.8Å; L204-I228 HydrophobicContact CD2-CD1 4.11Å; L204-I228 HydrophobicContact CD2-CG1 4.02Å; L204-I228 HydrophobicContact CG-CG1 4.5Å
205E91.8Very high89.1Confident113 Ų11367.7 Ų67.753%0.52834%0.343SS..Hα-helixtrans-57.7-51.4178.4-73.7172.8-179.700110.9L201 S202 K207 C208 E209L201-E205 WeakPolarHBondContact O-CB 3.42Å; L201-E205 WeakPolarHBondContact O-CG 3.33Å; L201-E205 PolarHBondContact O-N 3.25Å; S202-E205 PolarHBondContact O-N 3.14Å; E205-K207 VanDerWaalsContact C-N 3.29Å; E205-K207 PolarHBondContact O-N 3.28Å; E205-C208 PolarHBondContact O-N 3.25Å; E205-E209 WeakPolarHBondContact O-CG 3.42Å; E205-E209 PolarHBondContact O-N 3.35Å
206A90.9Very high88.6Confident36 Ų3673.2 Ų73.230%0.29838%0.376SS..Hα-helixtrans-62.7-33.2-179.900000113.1S202 L204 K210S202-A206 WeakPolarHBondContact O-CB 3.36Å; S202-A206 PolarHBondContact O-N 3.26Å; L204-A206 PolarHBondContact O-N 2.76Å; A206-K210 WeakPolarHBondContact O-CG 3.39Å; A206-K210 PolarHBondContact O-N 2.99Å
207K88.3Confident88Confident77 Ų7772 Ų7234%0.33538%0.379SS..Hα-helixtrans-77.6-37.6177.5-75.9-88-171.51580112D203 L204 E205 E209 K210 V211 L226 I228D203-K207 VanDerWaalsContact O-CB 3.29Å; D203-K207 WeakPolarHBondContact O-CB 3.46Å; D203-K207 WeakPolarHBondContact O-CG 3.43Å; D203-K207 PolarHBondContact O-N 2.86Å; L204-K207 PolarHBondContact O-N 3.45Å; E205-K207 VanDerWaalsContact C-N 3.29Å; E205-K207 PolarHBondContact O-N 3.28Å; K207-E209 VanDerWaalsContact C-N 3.33Å; K207-E209 PolarHBondContact O-N 3.43Å; K207-K210 PolarHBondContact O-N 3.4Å; K207-V211 VanDerWaalsContact O-CG2 3.31Å; K207-V211 WeakPolarHBondContact O-CG2 3.34Å; K207-V211 PolarHBondContact O-N 3.29Å; K207-L226 HydrophobicContact CB-CD1 4.32Å; K207-L226 HydrophobicContact CB-CD2 4.35Å; K207-I228 HydrophobicContact CB-CD1 3.83Å; K207-I228 HydrophobicContact CD-CD1 4.44Å; K207-I228 HydrophobicContact CG-CD1 3.57Å
208C88.4Confident87.3Confident34 Ų3476.9 Ų76.923%0.2340%0.4CS..Hα-helixtrans-60.2-41.9173.2-76.40000111.9L204 E205 V211 S212L204-C208 WeakPolarHBondContact O-CB 3.48Å; L204-C208 PolarHBondContact O-N 3.46Å; L204-C208 PolarHBondContact O-SG 3.46Å; E205-C208 PolarHBondContact O-N 3.25Å; C208-V211 PolarHBondContact O-N 2.99Å; C208-S212 WeakPolarHBondContact O-CB 3.47Å; C208-S212 PolarHBondContact O-N 3.4Å; C208-S212 PolarHBondContact O-OG 3.07Å
209E88.3Confident86.3Confident131 Ų13175.2 Ų75.261%0.61241%0.409SS*.Hα-helixtrans-60.5-50.7174.7-72.6-179.3170.600111.5E205 K207 V211 S212 E213E205-E209 WeakPolarHBondContact O-CG 3.42Å; E205-E209 PolarHBondContact O-N 3.35Å; K207-E209 VanDerWaalsContact C-N 3.33Å; K207-E209 PolarHBondContact O-N 3.43Å; E209-V211 VanDerWaalsContact C-N 3.33Å; E209-V211 PolarHBondContact O-N 3.21Å; E209-S212 WeakPolarHBondContact O-CB 3.18Å; E209-S212 PolarHBondContact O-N 3.45Å; E209-S212 VanDerWaalsContact O-N 3.08Å; E209-E213 PolarHBondContact O-N 2.82Å
210K86.9Confident85.2Confident129 Ų12975.5 Ų75.556%0.56143%0.431SS*.Hα-helixtrans-59.3-40.9177.9-72.6170.9-175.5171.40113.1A206 K207 S212 F214A206-K210 WeakPolarHBondContact O-CG 3.39Å; A206-K210 PolarHBondContact O-N 2.99Å; K207-K210 PolarHBondContact O-N 3.4Å; K210-S212 VanDerWaalsContact C-N 3.33Å; K210-F214 WeakPolarHBondContact O-CB 3.24Å; K210-F214 PolarHBondContact O-N 3.44Å
211V83.5Confident84.2Confident39 Ų3978.4 Ų78.424%0.23645%0.449CS..Hα-helixtrans-64.7-41176.5168.70000110.5K207 C208 E209 F214 V215 V223 L226K207-V211 VanDerWaalsContact O-CG2 3.31Å; K207-V211 WeakPolarHBondContact O-CG2 3.34Å; K207-V211 PolarHBondContact O-N 3.29Å; C208-V211 PolarHBondContact O-N 2.99Å; E209-V211 VanDerWaalsContact C-N 3.33Å; E209-V211 PolarHBondContact O-N 3.21Å; V211-F214 PolarHBondContact O-N 3.26Å; V211-V215 HydrophobicContact CG1-CG2 4.41Å; V211-V215 VanDerWaalsContact O-CG2 3.3Å; V211-V215 WeakPolarHBondContact O-CG2 3.17Å; V211-V215 PolarHBondContact O-N 3.35Å; V211-V223 HydrophobicContact CG1-CB 3.98Å; V211-V223 HydrophobicContact CG1-CG1 4.15Å; V211-V223 HydrophobicContact CG1-CG2 3.97Å; V211-L226 HydrophobicContact CG2-CD1 4.5Å
212S83.4Confident82.9Confident72 Ų7282.3 Ų82.350%0.50348%0.477SS..Hα-helixtrans-62.8-46.6178-580000111.5C208 E209 K210 F214 V215 V216C208-S212 WeakPolarHBondContact O-CB 3.47Å; C208-S212 PolarHBondContact O-N 3.4Å; C208-S212 PolarHBondContact O-OG 3.07Å; E209-S212 WeakPolarHBondContact O-CB 3.18Å; E209-S212 PolarHBondContact O-N 3.45Å; E209-S212 VanDerWaalsContact O-N 3.08Å; K210-S212 VanDerWaalsContact C-N 3.33Å; S212-F214 VanDerWaalsContact C-N 3.35Å; S212-F214 PolarHBondContact O-N 3.1Å; S212-V215 PolarHBondContact O-N 3.45Å; S212-V216 WeakPolarHBondContact O-CG2 3.26Å; S212-V216 PolarHBondContact O-N 2.82Å; S212-V216 VanDerWaalsContact O-N 3.11Å
213E85.7Confident82Confident142 Ų14281 Ų8166%0.66447%0.466SS*.Hα-helixtrans-60.4-42.9174.4-69.5-179.7170.300112.3E209 V216 S217E209-E213 PolarHBondContact O-N 2.82Å; E213-V216 PolarHBondContact O-N 3.25Å; E213-S217 PolarHBondContact O-N 2.83Å
214F79.3Confident81.3Confident88 Ų8886 Ų8639%0.38649%0.485SS..Hα-helixtrans-63.1-44.5179.1179.6-98.7000112.2K210 V211 S212 V216 S217 K218 T221K210-F214 WeakPolarHBondContact O-CB 3.24Å; K210-F214 PolarHBondContact O-N 3.44Å; V211-F214 PolarHBondContact O-N 3.26Å; S212-F214 VanDerWaalsContact C-N 3.35Å; S212-F214 PolarHBondContact O-N 3.1Å; F214-V216 VanDerWaalsContact C-N 3.3Å; F214-V216 PolarHBondContact O-N 3.4Å; F214-S217 PolarHBondContact O-N 3.17Å; F214-S217 VanDerWaalsContact O-N 3.14Å; F214-S217 PolarHBondContact O-OG 3.45Å; F214-K218 HydrophobicContact CE2-CD 4.05Å; F214-K218 HydrophobicContact CZ-CD 3.97Å; F214-K218 PolarHBondContact O-N 3.33Å; F214-K218 VanDerWaalsContact O-N 3.09Å; F214-T221 HydrophobicContact CE1-CG2 3.93Å
215V80.1Confident80.6Confident58 Ų5889.8 Ų89.835%0.35251%0.508SS..Hα-helixtrans-62.9-38.2177.1171.60000111.2V211 S212 S217 K218 V223V211-V215 HydrophobicContact CG1-CG2 4.41Å; V211-V215 VanDerWaalsContact O-CG2 3.3Å; V211-V215 WeakPolarHBondContact O-CG2 3.17Å; V211-V215 PolarHBondContact O-N 3.35Å; S212-V215 PolarHBondContact O-N 3.45Å; V215-S217 VanDerWaalsContact C-N 3.34Å; V215-K218 CarbonylContact O-C 3.5Å; V215-K218 PolarHBondContact O-N 2.74Å; V215-V223 HydrophobicContact CG2-CG2 4.39Å
216V81.6Confident80.1Confident123 Ų12384.8 Ų84.875%0.74549%0.485SS*.Hα-helixtrans-63.4-39.9173.6172.20000111.4S212 E213 F214 K218S212-V216 WeakPolarHBondContact O-CG2 3.26Å; S212-V216 PolarHBondContact O-N 2.82Å; S212-V216 VanDerWaalsContact O-N 3.11Å; E213-V216 PolarHBondContact O-N 3.25Å; F214-V216 VanDerWaalsContact C-N 3.3Å; F214-V216 PolarHBondContact O-N 3.4Å; V216-K218 PolarHBondContact O-N 3.16Å
217S82Confident79.8Confident80 Ų8085.5 Ų85.556%0.55949%0.486SS*.Hα-helixtrans-71.3-25.8-179.778.30000114.4E213 F214 V215E213-S217 PolarHBondContact O-N 2.83Å; F214-S217 PolarHBondContact O-N 3.17Å; F214-S217 VanDerWaalsContact O-N 3.14Å; F214-S217 PolarHBondContact O-OG 3.45Å; V215-S217 VanDerWaalsContact C-N 3.34Å
218K77.5Confident79.8Confident117 Ų11782 Ų8251%0.50947%0.47SS..SBendtrans-133.476.6-176.5-70.3-174.2-179.2178.90111.6F214 V215 V216 G220 T221F214-K218 HydrophobicContact CE2-CD 4.05Å; F214-K218 HydrophobicContact CZ-CD 3.97Å; F214-K218 PolarHBondContact O-N 3.33Å; F214-K218 VanDerWaalsContact O-N 3.09Å; V215-K218 CarbonylContact O-C 3.5Å; V215-K218 PolarHBondContact O-N 2.74Å; V216-K218 PolarHBondContact O-N 3.16Å; K218-G220 PolarHBondContact O-N 3.17Å; K218-T221 PolarHBondContact O-N 3.24Å; K218-T221 PolarHBondContact O-OG1 3.32Å
219P70.4Confident79.4Confident120 Ų12083.9 Ų83.978%0.77948%0.476SS*.THydrogen-bonded Turntrans-59.8127.8-179.523.4-32.2000110.8
220G69.8Low78.8Confident87 Ų8779.6 Ų79.690%0.89746%0.459SS*.THydrogen-bonded Turntrans107.5-7.8-175.500000114.8K218K218-G220 PolarHBondContact O-N 3.17Å
221T71.1Confident78.1Confident61 Ų6176.7 Ų76.737%0.37445%0.453SS..  trans-89.9127.2173.9-44.20000110.5F214 K218F214-T221 HydrophobicContact CE1-CG2 3.93Å; K218-T221 PolarHBondContact O-N 3.24Å; K218-T221 PolarHBondContact O-OG1 3.32Å
222C66.8Low77.2Confident99 Ų9980.6 Ų80.667%0.66948%0.48SS*.  trans-111.2111176.4178.20000109.7
223V72.9Confident76.3Confident43 Ų4382 Ų8226%0.26150%0.495SS..  trans-78.4122.9169.2-178.60000107.7V182 V211 V215 V225V182-V223 HydrophobicContact CG2-CG1 4.38Å; V211-V223 HydrophobicContact CG1-CB 3.98Å; V211-V223 HydrophobicContact CG1-CG1 4.15Å; V211-V223 HydrophobicContact CG1-CG2 3.97Å; V215-V223 HydrophobicContact CG2-CG2 4.39Å; V223-V225 VanDerWaalsContact CG1-O 3.31Å; V223-V225 WeakPolarHBondContact CG1-O 3.46Å
224K76.4Confident75.8Confident156 Ų15677 Ų7768%0.67847%0.473SS*.  trans-102.8-31-179.1-66.9-174.7177.8-178.60113.1G181 V182G181-K224 WeakPolarHBondContact CA-O 3.13Å; V182-K224 PolarHBondContact N-O 3.48Å
225V77.3Confident75.8Confident81 Ų8175.8 Ų75.849%0.49147%0.474SS..EExtended strand (participates in β ladder)trans-125.4134.6-177.7-178.80000108I180 V223I180-V225 WeakPolarHBondContact O-CA 3.48Å; V223-V225 VanDerWaalsContact CG1-O 3.31Å; V223-V225 WeakPolarHBondContact CG1-O 3.46Å
226L82.3Confident76.1Confident8 Ų877.3 Ų77.34%0.04247%0.474CS..EExtended strand (participates in β ladder)trans-104.1126.4171.8-173.3145.2000108I180 L204 K207 V211 I228I180-L226 HydrophobicContact CG2-CB 4.34Å; I180-L226 HydrophobicContact CG2-CD2 4.48Å; I180-L226 PolarHBondContact N-O 3.44Å; I180-L226 PolarHBondContact O-N 3.42Å; L204-L226 HydrophobicContact CD2-CD2 3.8Å; K207-L226 HydrophobicContact CB-CD1 4.32Å; K207-L226 HydrophobicContact CB-CD2 4.35Å; V211-L226 HydrophobicContact CG2-CD1 4.5Å; L226-I228 HydrophobicContact CD2-CD1 3.61Å; L226-I228 HydrophobicContact CD2-CG1 4.03Å
227T84.6Confident76.4Confident51 Ų5172.3 Ų72.331%0.31344%0.443SS..EExtended strand (participates in β ladder)trans-116.4120.9-179.7-60.20000109.9L178 D179 E229L178-T227 CarbonylContact O-C 3.57Å; L178-T227 WeakPolarHBondContact O-CA 3.28Å; D179-T227 WeakPolarHBondContact OD1-CB 3.33Å; D179-T227 WeakPolarHBondContact OD1-CG2 3.49Å; D179-T227 PolarHBondContact OD1-OG1 3.03Å; T227-E229 HydrophobicContact CG2-CG 3.7Å
228I86.7Confident76.8Confident3 Ų371.8 Ų71.82%0.01543%0.428CS..EExtended strand (participates in β ladder)trans-94.1124.6165.9-51.1-57.7000107.2R177 L178 L200 D203 L204 K207 L226R177-I228 CarbonylContact C-O 3.48Å; R177-I228 VanDerWaalsContact CA-O 3.28Å; R177-I228 WeakPolarHBondContact CA-O 3.48Å; L178-I228 HydrophobicContact CB-CB 3.99Å; L178-I228 HydrophobicContact CB-CG1 4.15Å; L178-I228 HydrophobicContact CD2-CG1 4.29Å; L178-I228 PolarHBondContact N-O 3.19Å; L178-I228 PolarHBondContact O-N 2.99Å; L200-I228 HydrophobicContact CD1-CG1 4.46Å; D203-I228 HydrophobicContact CB-CD1 4.39Å; D203-I228 HydrophobicContact CB-CG2 3.99Å; L204-I228 HydrophobicContact CD2-CD1 4.11Å; L204-I228 HydrophobicContact CD2-CG1 4.02Å; L204-I228 HydrophobicContact CG-CG1 4.5Å; K207-I228 HydrophobicContact CB-CD1 3.83Å; K207-I228 HydrophobicContact CD-CD1 4.44Å; K207-I228 HydrophobicContact CG-CD1 3.57Å; L226-I228 HydrophobicContact CD2-CD1 3.61Å; L226-I228 HydrophobicContact CD2-CG1 4.03Å
229E81.3Confident77.3Confident74 Ų7470.1 Ų70.135%0.34642%0.422SS..  trans-121.3142.2170.9-57.6-167131.300107.9R177 T227R177-E229 IonicContact NH1-OE1 3.96Å; R177-E229 PolarHBondContact NH1-OE1 3.3Å; R177-E229 VanDerWaalsContact NH1-OE1 3.08Å; T227-E229 HydrophobicContact CG2-CG 3.7Å
230P75.9Confident78.2Confident41 Ų4166.8 Ų66.827%0.26640%0.398SS..PPolyproline II helixtrans-62.1148.3171.827.7-32.3000109.4R177 D234R177-P230 VanDerWaalsContact CG-CD 3.48Å; R177-P230 HydrophobicContact CG-CG 4.34Å; P230-D234 HydrophobicContact CB-CB 4.28Å
231P72.5Confident79.3Confident67 Ų6762.6 Ų62.644%0.43536%0.355SS..PPolyproline II helixtrans-51.7148.2168.1-21.229.4000111.3A233 D234P231-A233 PolarHBondContact O-N 2.94Å; P231-D234 HydrophobicContact CB-CB 4.31Å; P231-D234 WeakPolarHBondContact CD-OD2 3.42Å; P231-D234 HydrophobicContact CG-CB 4.37Å; P231-D234 WeakPolarHBondContact O-CB 3.48Å; P231-D234 PolarHBondContact O-N 3.41Å; P231-D234 VanDerWaalsContact O-N 3.13Å
232P63.9Low80.2Confident121 Ų12160.6 Ų60.679%0.78635%0.345SS*.THydrogen-bonded Turntrans-58.7125.7174.524.5-32000109.7
233A63.9Low81.3Confident101 Ų10157.5 Ų57.584%0.83532%0.321SS*.THydrogen-bonded Turntrans6729.2-17700000116.2P231 P235P231-A233 PolarHBondContact O-N 2.94Å; A233-P235 WeakPolarHBondContact O-CD 3.39Å
234D74.8Confident82.2Confident38 Ų3855.4 Ų55.420%0.20331%0.309CS..  trans-67.8116.9169.5-167.3-15.2000111.2P230 P231 R236P230-D234 HydrophobicContact CB-CB 4.28Å; P231-D234 HydrophobicContact CB-CB 4.31Å; P231-D234 WeakPolarHBondContact CD-OD2 3.42Å; P231-D234 HydrophobicContact CG-CB 4.37Å; P231-D234 WeakPolarHBondContact O-CB 3.48Å; P231-D234 PolarHBondContact O-N 3.41Å; P231-D234 VanDerWaalsContact O-N 3.13Å; D234-R236 VanDerWaalsContact C-N 3.32Å; D234-R236 PolarHBondContact O-N 3.34Å; D234-R236 WeakPolarHBondContact OD1-CB 3.46Å; D234-R236 VanDerWaalsContact OD1-CG 3.25Å; D234-R236 WeakPolarHBondContact OD1-CG 3.28Å; D234-R236 IonicContact OD1-CZ 2.99Å; D234-R236 PolarHBondContact OD1-N 3.24Å; D234-R236 VanDerWaalsContact OD1-N 3.15Å; D234-R236 IonicContact OD1-NE 2.83Å; D234-R236 PolarHBondContact OD1-NE 2.82Å; D234-R236 IonicContact OD1-NH2 4Å; D234-R236 IonicContact OD2-CZ 2.95Å; D234-R236 IonicContact OD2-NE 3.3Å; D234-R236 PolarHBondContact OD2-NE 2.96Å; D234-R236 IonicContact OD2-NH2 3.92Å; D234-R236 PolarHBondContact OD2-NH2 2.74Å
235P81.1Confident82.9Confident62 Ų6248 Ų4840%0.40328%0.276SS..  trans-79.9-13.2-176.234.2-36.5000113.2A233 L237 R238 E239A233-P235 WeakPolarHBondContact O-CD 3.39Å; P235-L237 PolarHBondContact O-N 3.19Å; P235-R238 WeakPolarHBondContact O-CA 3.39Å; P235-R238 WeakPolarHBondContact O-CB 3.49Å; P235-R238 PolarHBondContact O-N 3.4Å; P235-E239 HydrophobicContact CB-CG 4.19Å; P235-E239 WeakPolarHBondContact CB-OE1 3.47Å; P235-E239 WeakPolarHBondContact CG-OE1 3.2Å; P235-E239 WeakPolarHBondContact O-CG 3.46Å; P235-E239 PolarHBondContact O-N 2.91Å
236R85.2Confident83.3Confident91 Ų9145.6 Ų45.634%0.34326%0.261SS..Hα-helixtrans-52.5-47.6-168.5-75.9-178.8-83.8179.8-6.3114.2D199 D234 R238 E239 D240D199-R236 IonicContact OD2-NH1 2.82Å; D199-R236 PolarHBondContact OD2-NH1 3.17Å; D234-R236 VanDerWaalsContact C-N 3.32Å; D234-R236 PolarHBondContact O-N 3.34Å; D234-R236 WeakPolarHBondContact OD1-CB 3.46Å; D234-R236 VanDerWaalsContact OD1-CG 3.25Å; D234-R236 WeakPolarHBondContact OD1-CG 3.28Å; D234-R236 IonicContact OD1-CZ 2.99Å; D234-R236 PolarHBondContact OD1-N 3.24Å; D234-R236 VanDerWaalsContact OD1-N 3.15Å; D234-R236 IonicContact OD1-NE 2.83Å; D234-R236 PolarHBondContact OD1-NE 2.82Å; D234-R236 IonicContact OD1-NH2 4Å; D234-R236 IonicContact OD2-CZ 2.95Å; D234-R236 IonicContact OD2-NE 3.3Å; D234-R236 PolarHBondContact OD2-NE 2.96Å; D234-R236 IonicContact OD2-NH2 3.92Å; D234-R236 PolarHBondContact OD2-NH2 2.74Å; R236-R238 VanDerWaalsContact C-N 3.29Å; R236-R238 PolarHBondContact O-N 2.86Å; R236-E239 PolarHBondContact O-N 3.36Å; R236-D240 VanDerWaalsContact O-CG 3.23Å; R236-D240 PolarHBondContact O-N 3.11Å
237L89Confident83.6Confident17 Ų1746 Ų469%0.08926%0.264CS..Hα-helixtrans-59.2-41.6177.5167.464.5000111.7L105 P235 M241L105-L237 HydrophobicContact CD1-CD1 4.18Å; L105-L237 HydrophobicContact CD1-CD2 3.92Å; L105-L237 HydrophobicContact CD1-CG 4.3Å; P235-L237 PolarHBondContact O-N 3.19Å; L237-M241 HydrophobicContact CD1-CE 3.78Å; L237-M241 HydrophobicContact CD1-CG 4.15Å; L237-M241 WeakPolarHBondContact O-CG 3.45Å; L237-M241 PolarHBondContact O-N 3.23Å; L237-M241 VanDerWaalsContact O-N 3.11Å
238R89.1Confident83.9Confident70 Ų7043.7 Ų43.726%0.26425%0.25SC..Hα-helixtrans-73.6-37.1-178.6-65179.2-173.7178.25.1111.3D99 Y101 P235 R236 M241 A242 S339D99-R238 IonicContact OD1-NH2 3.08Å; D99-R238 IonicContact OD2-NH2 2.72Å; D99-R238 PolarHBondContact OD2-NH2 3.5Å; Y101-R238 HydrophobicContact CD1-CG 4.24Å; Y101-R238 HydrophobicContact CE1-CG 4.2Å; P235-R238 WeakPolarHBondContact O-CA 3.39Å; P235-R238 WeakPolarHBondContact O-CB 3.49Å; P235-R238 PolarHBondContact O-N 3.4Å; R236-R238 VanDerWaalsContact C-N 3.29Å; R236-R238 PolarHBondContact O-N 2.86Å; R238-M241 PolarHBondContact O-N 2.98Å; R238-A242 WeakPolarHBondContact O-CB 3.4Å; R238-A242 PolarHBondContact O-N 3.22Å; R238-S339 WeakPolarHBondContact CD-O 3.16Å; R238-S339 WeakPolarHBondContact CG-O 3.03Å; R238-S339 WeakPolarHBondContact O-CB 3.27Å
239E88.4Confident83.9Confident82 Ų8244.3 Ų44.338%0.38325%0.253SS..Hα-helixtrans-62.4-48.3173.4-70.9170.8176.300111.1P235 R236 M241 A242 L243P235-E239 HydrophobicContact CB-CG 4.19Å; P235-E239 WeakPolarHBondContact CB-OE1 3.47Å; P235-E239 WeakPolarHBondContact CG-OE1 3.2Å; P235-E239 WeakPolarHBondContact O-CG 3.46Å; P235-E239 PolarHBondContact O-N 2.91Å; R236-E239 PolarHBondContact O-N 3.36Å; E239-M241 VanDerWaalsContact C-N 3.27Å; E239-M241 PolarHBondContact O-N 3.23Å; E239-A242 WeakPolarHBondContact O-CB 3.02Å; E239-A242 PolarHBondContact O-N 3.48Å; E239-A242 VanDerWaalsContact O-N 3.08Å; E239-L243 PolarHBondContact O-N 3.06Å
240D89.9Confident84.1Confident49 Ų4940.9 Ų40.926%0.26224%0.238SC..Hα-helixtrans-60.4-39.6176.9-66.1-25.8000111.3R136 R236 L243R136-D240 VanDerWaalsContact CD-CB 3.45Å; R136-D240 WeakPolarHBondContact CD-OD2 3.29Å; R136-D240 IonicContact CZ-OD2 2.97Å; R136-D240 IonicContact NE-OD2 2.95Å; R136-D240 PolarHBondContact NE-OD2 3.37Å; R136-D240 IonicContact NH2-OD2 2.7Å; R136-D240 PolarHBondContact NH2-OD2 3.06Å; R236-D240 VanDerWaalsContact O-CG 3.23Å; R236-D240 PolarHBondContact O-N 3.11Å; D240-L243 VanDerWaalsContact O-CB 3.29Å; D240-L243 WeakPolarHBondContact O-CB 3.5Å; D240-L243 WeakPolarHBondContact O-CG 3.43Å; D240-L243 PolarHBondContact O-N 3.02Å
241M92.2Very high84.3Confident0 Ų043.2 Ų43.20%025%0.252CS..Hα-helixtrans-73.8-27.7177.3-63.2-71.1-173.900112.4L105 V132 R136 L237 R238 E239 L243 L244 F289 Y338L105-M241 HydrophobicContact CD1-CE 4.34Å; L105-M241 HydrophobicContact CD2-CE 4Å; V132-M241 HydrophobicContact CB-CE 4.46Å; V132-M241 HydrophobicContact CG1-CE 3.74Å; V132-M241 HydrophobicContact CG2-CE 4.24Å; V132-M241 HydrophobicContact CG2-SD 4.42Å; R136-M241 HydrophobicContact CG-CE 4.17Å; L237-M241 HydrophobicContact CD1-CE 3.78Å; L237-M241 HydrophobicContact CD1-CG 4.15Å; L237-M241 WeakPolarHBondContact O-CG 3.45Å; L237-M241 PolarHBondContact O-N 3.23Å; L237-M241 VanDerWaalsContact O-N 3.11Å; R238-M241 PolarHBondContact O-N 2.98Å; E239-M241 VanDerWaalsContact C-N 3.27Å; E239-M241 PolarHBondContact O-N 3.23Å; M241-L243 PolarHBondContact O-N 3.49Å; M241-L244 VanDerWaalsContact O-CB 3.27Å; M241-L244 WeakPolarHBondContact O-CB 3.33Å; M241-L244 PolarHBondContact O-N 3.15Å; M241-L244 HydrophobicContact SD-CD1 4.22Å; M241-F289 HydrophobicContact SD-CE1 4.35Å; M241-F289 HydrophobicContact SD-CZ 3.83Å; M241-Y338 WeakPolarHBondContact CB-O 3.31Å
242A90.6Very high84.6Confident19 Ų1946.4 Ų46.416%0.15726%0.262CS..Hα-helixtrans-62.1-26.417400000112.3R238 E239 L244 A245 D246R238-A242 WeakPolarHBondContact O-CB 3.4Å; R238-A242 PolarHBondContact O-N 3.22Å; E239-A242 WeakPolarHBondContact O-CB 3.02Å; E239-A242 PolarHBondContact O-N 3.48Å; E239-A242 VanDerWaalsContact O-N 3.08Å; A242-L244 PolarHBondContact O-N 2.99Å; A242-L244 VanDerWaalsContact O-N 3.12Å; A242-A245 WeakPolarHBondContact O-CA 3.28Å; A242-A245 VanDerWaalsContact O-CB 3.27Å; A242-A245 WeakPolarHBondContact O-CB 3.41Å; A242-A245 PolarHBondContact O-N 2.95Å; A242-D246 PolarHBondContact O-N 2.93Å; A242-D246 VanDerWaalsContact O-N 3.1Å
243L88.3Confident85.2Confident33 Ų3343.2 Ų43.217%0.17324%0.238CC..Hα-helixtrans-55.2-30.6170.8-61.1173.3000112.3E239 D240 M241 A245 D246 C247 F262E239-L243 PolarHBondContact O-N 3.06Å; D240-L243 VanDerWaalsContact O-CB 3.29Å; D240-L243 WeakPolarHBondContact O-CB 3.5Å; D240-L243 WeakPolarHBondContact O-CG 3.43Å; D240-L243 PolarHBondContact O-N 3.02Å; M241-L243 PolarHBondContact O-N 3.49Å; L243-A245 VanDerWaalsContact C-N 3.35Å; L243-D246 PolarHBondContact O-N 3.35Å; L243-C247 WeakPolarHBondContact O-CB 3.48Å; L243-C247 PolarHBondContact O-N 3.46Å; L243-C247 PolarHBondContact O-SG 2.89Å; L243-F262 HydrophobicContact CD2-CB 4.44Å
244L91.8Very high85.6Confident0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-70.3-32.2175.8-60.4178.5000112.2C131 A135 M241 A242 A248 F268 F289 Y338C131-L244 HydrophobicContact CB-CD1 4.19Å; C131-L244 HydrophobicContact CB-CD2 3.88Å; A135-L244 HydrophobicContact CB-CD2 4.13Å; A135-L244 HydrophobicContact CB-CG 4.22Å; M241-L244 VanDerWaalsContact O-CB 3.27Å; M241-L244 WeakPolarHBondContact O-CB 3.33Å; M241-L244 PolarHBondContact O-N 3.15Å; M241-L244 HydrophobicContact SD-CD1 4.22Å; A242-L244 PolarHBondContact O-N 2.99Å; A242-L244 VanDerWaalsContact O-N 3.12Å; L244-A248 VanDerWaalsContact O-CB 3.29Å; L244-A248 WeakPolarHBondContact O-CB 3.47Å; L244-A248 PolarHBondContact O-N 2.66Å; L244-A248 VanDerWaalsContact O-N 3.13Å; L244-F268 HydrophobicContact CD2-CE1 4.04Å; L244-F268 HydrophobicContact CD2-CZ 4.01Å; L244-F289 HydrophobicContact CD1-CE2 3.77Å; L244-F289 HydrophobicContact CD1-CZ 3.76Å; L244-Y338 HydrophobicContact CB-CD1 3.48Å; L244-Y338 VanDerWaalsContact CB-CD1 3.48Å; L244-Y338 HydrophobicContact CB-CE1 3.64Å; L244-Y338 HydrophobicContact CB-CG 3.97Å; L244-Y338 HydrophobicContact CD1-CD1 3.86Å; L244-Y338 HydrophobicContact CD1-CE1 4.02Å; L244-Y338 HydrophobicContact CG-CD1 4.32Å; L244-Y338 HydrophobicContact CG-CE1 4.48Å
245A91.3Very high85Confident0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-67.3-45.717200000110.3A242 L243 C247 A248 L249 L334 Y335 Y338A242-A245 WeakPolarHBondContact O-CA 3.28Å; A242-A245 VanDerWaalsContact O-CB 3.27Å; A242-A245 WeakPolarHBondContact O-CB 3.41Å; A242-A245 PolarHBondContact O-N 2.95Å; L243-A245 VanDerWaalsContact C-N 3.35Å; A245-C247 VanDerWaalsContact C-N 3.3Å; A245-C247 PolarHBondContact O-N 3.19Å; A245-A248 WeakPolarHBondContact O-CA 3.49Å; A245-A248 WeakPolarHBondContact O-CB 3.44Å; A245-A248 PolarHBondContact O-N 3.1Å; A245-L249 PolarHBondContact O-N 2.82Å; A245-L249 VanDerWaalsContact O-N 3.12Å; A245-L334 HydrophobicContact CB-CD2 4.28Å; A245-L334 HydrophobicContact CB-CG 4.05Å; A245-L334 WeakPolarHBondContact O-CD2 3.48Å; A245-Y335 HydrophobicContact CB-CD1 3.63Å; A245-Y335 HydrophobicContact CB-CE1 3.74Å; A245-Y335 HydrophobicContact CB-CG 4.1Å; A245-Y338 HydrophobicContact CB-CD2 3.85Å; A245-Y338 HydrophobicContact CB-CG 4.4Å
246D87.5Confident83.5Confident31 Ų3151.1 Ų51.117%0.16626%0.262CS..Hα-helixtrans-59.3-42.2177.5-61.2-26.6000111.7A242 L243 A248 L249 Y335A242-D246 PolarHBondContact O-N 2.93Å; A242-D246 VanDerWaalsContact O-N 3.1Å; L243-D246 PolarHBondContact O-N 3.35Å; D246-A248 VanDerWaalsContact C-N 3.27Å; D246-A248 PolarHBondContact O-N 3.32Å; D246-L249 PolarHBondContact O-N 3.01Å; D246-Y335 WeakPolarHBondContact OD1-CE1 3.23Å; D246-Y335 PolarHBondContact OD1-OH 3.21Å
247C87.3Confident81.5Confident17 Ų1754 Ų5412%0.11528%0.284CS..Hα-helixtrans-65.8-31176.2-68.30000113L243 A245 R254 F268L243-C247 WeakPolarHBondContact O-CB 3.48Å; L243-C247 PolarHBondContact O-N 3.46Å; L243-C247 PolarHBondContact O-SG 2.89Å; A245-C247 VanDerWaalsContact C-N 3.3Å; A245-C247 PolarHBondContact O-N 3.19Å; C247-R254 PolarHBondContact O-NH2 2.95Å; C247-R254 VanDerWaalsContact O-NH2 3.16Å; C247-F268 WeakPolarHBondContact SG-CD1 3.48Å
248A90.3Very high79.4Confident1 Ų160.8 Ų60.81%0.00831%0.308CS..Hα-helixtrans-79.9-17.8-17900000113.3L244 A245 D246 F283 L284 L334 Y338L244-A248 VanDerWaalsContact O-CB 3.29Å; L244-A248 WeakPolarHBondContact O-CB 3.47Å; L244-A248 PolarHBondContact O-N 2.66Å; L244-A248 VanDerWaalsContact O-N 3.13Å; A245-A248 WeakPolarHBondContact O-CA 3.49Å; A245-A248 WeakPolarHBondContact O-CB 3.44Å; A245-A248 PolarHBondContact O-N 3.1Å; D246-A248 VanDerWaalsContact C-N 3.27Å; D246-A248 PolarHBondContact O-N 3.32Å; A248-F283 VanDerWaalsContact O-CA 3.28Å; A248-F283 WeakPolarHBondContact O-CA 3.25Å; A248-L284 WeakPolarHBondContact CA-O 3.19Å; A248-L284 WeakPolarHBondContact CB-O 3.24Å; A248-L284 PolarHBondContact O-N 2.67Å; A248-L334 HydrophobicContact CB-CD1 3.9Å; A248-L334 HydrophobicContact CB-CD2 4.01Å; A248-L334 HydrophobicContact CB-CG 4.41Å; A248-Y338 HydrophobicContact CB-CE2 4.41Å
249L88.3Confident77.2Confident17 Ų1766.8 Ų66.89%0.08934%0.34CS..SBendtrans-66.8138.1-179.6-76.8173.7000112.6A245 D246 R254 F283 T331 L334 Y335A245-L249 PolarHBondContact O-N 2.82Å; A245-L249 VanDerWaalsContact O-N 3.12Å; D246-L249 PolarHBondContact O-N 3.01Å; L249-R254 HydrophobicContact CB-CG 4.32Å; L249-R254 VanDerWaalsContact O-CZ 3.28Å; L249-R254 PolarHBondContact O-NE 3.11Å; L249-R254 PolarHBondContact O-NH2 3.28Å; L249-F283 HydrophobicContact CD2-CD1 4.42Å; L249-F283 HydrophobicContact CD2-CE1 3.91Å; L249-T331 HydrophobicContact CD2-CG2 3.9Å; L249-L334 HydrophobicContact CD2-CD2 3.79Å; L249-L334 HydrophobicContact CG-CD2 4.01Å; L249-Y335 HydrophobicContact CD1-CE2 4.25Å; L249-Y335 WeakPolarHBondContact CD1-OH 3.44Å
250P85.7Confident75Confident2 Ų266.3 Ų66.31%0.01334%0.339CS..  trans-68146.3173.631.5-36.9000110.5E252 L253 R254 C281 F283P250-E252 WeakPolarHBondContact CB-OE2 3.36Å; P250-E252 PolarHBondContact O-N 3.4Å; P250-E252 VanDerWaalsContact O-N 3.14Å; P250-L253 HydrophobicContact CG-CB 4.06Å; P250-L253 HydrophobicContact CG-CD1 3.52Å; P250-L253 HydrophobicContact CG-CG 3.79Å; P250-L253 PolarHBondContact O-N 2.87Å; P250-R254 WeakPolarHBondContact O-CG 3.38Å; P250-C281 HydrophobicContact CB-CB 4.2Å; P250-C281 HydrophobicContact CG-CB 3.99Å; P250-F283 VanDerWaalsContact CD-CE1 3.46Å; P250-F283 HydrophobicContact CG-CD1 4.48Å; P250-F283 HydrophobicContact CG-CE1 4.11Å; P250-F283 HydrophobicContact CG-CE2 4.16Å; P250-F283 HydrophobicContact CG-CZ 3.94Å
251P78.4Confident72.7Confident89 Ų8967.8 Ų67.858%0.57835%0.352SS*.G310 helixtrans-60.2-27.2-17524.7-33.1000113.5L253 R254P251-L253 VanDerWaalsContact C-N 3.28Å; P251-L253 PolarHBondContact O-N 3.35Å; P251-R254 PolarHBondContact O-N 2.95Å
252E79.8Confident70.4Confident135 Ų13573 Ų7363%0.63137%0.374SS*.G310 helixtrans-65.6-30.1178-59.975.1-160.700112.8P250P250-E252 WeakPolarHBondContact CB-OE2 3.36Å; P250-E252 PolarHBondContact O-N 3.4Å; P250-E252 VanDerWaalsContact O-N 3.14Å
253L77.1Confident68.1Low53 Ų5377.2 Ų77.228%0.27740%0.4SS..G310 helixtrans-92.8-1.3178-62.3176.7000112.7P250 P251 F283 P327P250-L253 HydrophobicContact CG-CB 4.06Å; P250-L253 HydrophobicContact CG-CD1 3.52Å; P250-L253 HydrophobicContact CG-CG 3.79Å; P250-L253 PolarHBondContact O-N 2.87Å; P251-L253 VanDerWaalsContact C-N 3.28Å; P251-L253 PolarHBondContact O-N 3.35Å; L253-F283 HydrophobicContact CD1-CE1 4.16Å; L253-F283 HydrophobicContact CD1-CZ 3.67Å; L253-P327 HydrophobicContact CD1-CB 3.67Å; L253-P327 HydrophobicContact CD2-CB 4.43Å
254R71.9Confident66Low139 Ų13978.1 Ų78.153%0.52541%0.409SS..  trans-84.3-9.7179.8-66.1-177.9-169-168-4.2114C247 L249 P250 P251C247-R254 PolarHBondContact O-NH2 2.95Å; C247-R254 VanDerWaalsContact O-NH2 3.16Å; L249-R254 HydrophobicContact CB-CG 4.32Å; L249-R254 VanDerWaalsContact O-CZ 3.28Å; L249-R254 PolarHBondContact O-NE 3.11Å; L249-R254 PolarHBondContact O-NH2 3.28Å; P250-R254 WeakPolarHBondContact O-CG 3.38Å; P251-R254 PolarHBondContact O-N 2.95Å
255G62Low64Low44 Ų4481.7 Ų81.745%0.45443%0.432SS..SBendtrans-66.4147-170.900000115L257G255-L257 WeakPolarHBondContact O-CB 3.28Å; G255-L257 PolarHBondContact O-N 2.8Å
256D48.8Very low61.8Low184 Ų18490.2 Ų90.298%0.98448%0.477SS*.SBendtrans31.5-9.4174.9-68.8-2.5000121.2W258D256-W258 PolarHBondContact O-N 3.17Å
257L43.3Very low60.3Low152 Ų15291.9 Ų91.980%0.79650%0.502SS*.SBendtrans-88.45.1-168.9-88.8160.6000114.2G255G255-L257 WeakPolarHBondContact O-CB 3.28Å; G255-L257 PolarHBondContact O-N 2.8Å
258W46.3Very low59.3Low159 Ų15992.7 Ų92.760%0.60250%0.504SS*.  trans-161.3104.9176.9-142-142.1000109.9D256 L260 P261D256-W258 PolarHBondContact O-N 3.17Å; W258-L260 PolarHBondContact O-N 3.32Å; W258-P261 VanDerWaalsContact CE2-CD 3.42Å; W258-P261 HydrophobicContact CZ2-CG 4.04Å
259E42.1Very low58.6Low197 Ų19796.9 Ų96.992%0.92153%0.526SS*.  trans-59.894140-80.1-173.1170.800104P261E259-P261 VanDerWaalsContact O-N 3.11Å
260L42.1Very low58.3Low71 Ų7196.6 Ų96.637%0.37253%0.526SS..  trans-48.6126.2-179.6-70.6143.8000107.7W258 F262W258-L260 PolarHBondContact O-N 3.32Å; L260-F262 WeakPolarHBondContact CB-O 3.33Å; L260-F262 PolarHBondContact O-N 3.43Å
261P40.9Very low58.2Low81 Ų8198 Ų9853%0.52654%0.535SS..SBendtrans-60.1-17.717322.7-27.9000110.6W258 E259W258-P261 VanDerWaalsContact CE2-CD 3.42Å; W258-P261 HydrophobicContact CZ2-CG 4.04Å; E259-P261 VanDerWaalsContact O-N 3.11Å
262F44.5Very low58.7Low109 Ų10995.3 Ų95.348%0.47852%0.518SS..SBendtrans-130.2114.2174.7-49.4-70.1000109.7L243 L260 C264L243-F262 HydrophobicContact CD2-CB 4.44Å; L260-F262 WeakPolarHBondContact CB-O 3.33Å; L260-F262 PolarHBondContact O-N 3.43Å; F262-C264 PolarHBondContact O-N 2.88Å
263P41.5Very low59.2Low107 Ų10791.3 Ų91.370%0.69550%0.5SS*.PPolyproline II helixtrans-55.4120.817222.4-31.6000108.4P265P263-P265 VanDerWaalsContact O-CD 3.23Å; P263-P265 WeakPolarHBondContact O-CD 3.42Å
264C45.9Very low59.9Low53 Ų5388.8 Ų88.836%0.35849%0.488SS..PPolyproline II helixtrans-50.9116.2165.4-178.10000105.3F262 D266F262-C264 PolarHBondContact O-N 2.88Å; C264-D266 PolarHBondContact O-N 3.26Å
265P48.2Very low60.8Low75 Ų7582.6 Ų82.649%0.48747%0.465SS..PPolyproline II helixtrans-56.9121.5-173.9-22.631000107.5P263 G267 F268P263-P265 VanDerWaalsContact O-CD 3.23Å; P263-P265 WeakPolarHBondContact O-CD 3.42Å; P265-G267 PolarHBondContact O-N 3.14Å; P265-F268 HydrophobicContact CB-CB 4.3Å; P265-F268 HydrophobicContact CG-CB 4.38Å; P265-F268 PolarHBondContact O-N 3.29Å
266D46.8Very low62.3Low178 Ų17880.5 Ų80.595%0.95244%0.444SS*.THydrogen-bonded Turntrans-49.8105.4172.9-76.9-40.7000107.7C264C264-D266 PolarHBondContact O-N 3.26Å
267G54.7Low64.3Low67 Ų6775.1 Ų75.169%0.69141%0.409SS*.THydrogen-bonded Turntrans104.87.7-177.700000117.9P265 N269P265-G267 PolarHBondContact O-N 3.14Å; G267-N269 PolarHBondContact O-N 3.39Å; G267-N269 VanDerWaalsContact O-N 3.12Å
268F67.1Low66.7Low34 Ų3467.9 Ų67.915%0.14937%0.372CS..  trans-70.2105.8169.8179.4-115.4000111.3A135 A141 L244 C247 P265A135-F268 HydrophobicContact CB-CZ 4.34Å; A141-F268 HydrophobicContact CB-CD2 4.14Å; A141-F268 HydrophobicContact CB-CE2 4.43Å; L244-F268 HydrophobicContact CD2-CE1 4.04Å; L244-F268 HydrophobicContact CD2-CZ 4.01Å; C247-F268 WeakPolarHBondContact SG-CD1 3.48Å; P265-F268 HydrophobicContact CB-CB 4.3Å; P265-F268 HydrophobicContact CG-CB 4.38Å; P265-F268 PolarHBondContact O-N 3.29Å
269N75.9Confident68.7Low89 Ų8964.2 Ų64.248%0.47638%0.375SS..  trans-90.4102.4172.7-177.86.1000110G267 C271G267-N269 PolarHBondContact O-N 3.39Å; G267-N269 VanDerWaalsContact O-N 3.12Å; N269-C271 PolarHBondContact O-N 3.41Å; N269-C271 VanDerWaalsContact O-N 3.14Å; N269-C271 PolarHBondContact O-SG 3.32Å; N269-C271 VanDerWaalsContact O-SG 3.4Å; N269-C271 PolarHBondContact OD1-N 3.46Å; N269-C271 VanDerWaalsContact OD1-N 3.07Å
270S80.3Confident70.7Confident11 Ų1158.4 Ų58.48%0.07737%0.368CS..  trans-63.6-16179.656.80000113.7C131 H286C131-S270 WeakPolarHBondContact CB-O 3.34Å; S270-H286 PolarHBondContact O-NE2 2.66Å
271C84.4Confident73Confident30 Ų3056 Ų5620%0.20336%0.357CS..  trans57.859.1-177.4-57.20000112.9R130 N269R130-C271 HydrophobicContact CB-CB 4.29Å; N269-C271 PolarHBondContact O-N 3.41Å; N269-C271 VanDerWaalsContact O-N 3.14Å; N269-C271 PolarHBondContact O-SG 3.32Å; N269-C271 VanDerWaalsContact O-SG 3.4Å; N269-C271 PolarHBondContact OD1-N 3.46Å; N269-C271 VanDerWaalsContact OD1-N 3.07Å
272P89.3Confident75.4Confident34 Ų3454.7 Ų54.722%0.22135%0.35CS..  trans-66.2141.1179.530.5-35.8000111.6L284 C285P272-L284 HydrophobicContact CB-CB 3.84Å; P272-L284 HydrophobicContact CG-CB 3.96Å; P272-L284 HydrophobicContact CG-CD1 4.4Å; P272-C285 WeakPolarHBondContact CA-O 3.35Å; P272-C285 WeakPolarHBondContact CB-O 3.32Å
273D89.8Confident77.7Confident50 Ų5049.5 Ų49.527%0.26733%0.327SS..  trans-120.11.4-17868.2-12.6000113.2C285 H286 K287 P318D273-C285 PolarHBondContact N-O 2.87Å; D273-C285 VanDerWaalsContact N-O 3.11Å; D273-H286 WeakPolarHBondContact OD1-CA 3.44Å; D273-K287 WeakPolarHBondContact O-CE 3.43Å; D273-K287 WeakPolarHBondContact OD1-CG 3.46Å; D273-K287 PolarHBondContact OD1-N 3.35Å; D273-P318 WeakPolarHBondContact O-CD 3.17Å
274V91.6Very high80.1Confident1 Ų147.6 Ų47.61%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-146.2146.7171.161.50000110.9F276 C285 K287 L301V274-F276 HydrophobicContact CG1-CE2 4.14Å; V274-F276 HydrophobicContact CG1-CZ 4.46Å; V274-F276 HydrophobicContact CG2-CE1 4.35Å; V274-F276 HydrophobicContact CG2-CE2 4.44Å; V274-F276 HydrophobicContact CG2-CZ 4.19Å; V274-C285 HydrophobicContact CG1-CB 3.89Å; V274-C285 WeakPolarHBondContact CG1-O 3.37Å; V274-C285 PolarHBondContact N-O 3.28Å; V274-C285 PolarHBondContact O-N 3.13Å; V274-K287 HydrophobicContact CB-CG 3.82Å; V274-K287 HydrophobicContact CG1-CG 3.84Å; V274-L301 HydrophobicContact CG2-CD2 3.89Å
275C92.2Very high82.4Confident8 Ų845.1 Ų45.15%0.05429%0.294CS..EExtended strand (participates in β ladder)trans-116.8129.2170.6177.50000110.6F283 L284 P317 P318 A319 V320C275-F283 CarbonylContact C-O 3.52Å; C275-F283 VanDerWaalsContact CA-O 3.23Å; C275-F283 WeakPolarHBondContact CA-O 3.37Å; C275-L284 HydrophobicContact CB-CD2 4Å; C275-P317 HydrophobicContact CB-CG 4.17Å; C275-P318 PolarHBondContact N-O 3.46Å; C275-A319 HydrophobicContact CB-CB 4.16Å; C275-A319 CarbonylContact O-C 3.59Å; C275-A319 VanDerWaalsContact O-CA 3.27Å; C275-A319 WeakPolarHBondContact O-CA 3.15Å; C275-V320 PolarHBondContact O-N 3.42Å
276F92.8Very high84.6Confident0 Ų041.7 Ų41.70%027%0.272CS..EExtended strand (participates in β ladder)trans-101120.3169.3-64.5-68.5000109.9V274 F283 C285 F290 F297 L301 V320 L322 F330V274-F276 HydrophobicContact CG1-CE2 4.14Å; V274-F276 HydrophobicContact CG1-CZ 4.46Å; V274-F276 HydrophobicContact CG2-CE1 4.35Å; V274-F276 HydrophobicContact CG2-CE2 4.44Å; V274-F276 HydrophobicContact CG2-CZ 4.19Å; F276-F283 HydrophobicContact CB-CB 4.34Å; F276-F283 PolarHBondContact N-O 3.28Å; F276-F283 PolarHBondContact O-N 2.82Å; F276-C285 HydrophobicContact CD2-CB 3.94Å; F276-C285 HydrophobicContact CE2-CB 3.96Å; F276-F290 HydrophobicContact CD2-CE1 4.24Å; F276-F290 HydrophobicContact CD2-CZ 4.25Å; F276-F290 AromaticContact CE2-CD1 3.63Å; F276-F290 HydrophobicContact CE2-CD1 3.63Å; F276-F290 HydrophobicContact CE2-CD2 4.01Å; F276-F290 AromaticContact CE2-CE1 3.68Å; F276-F290 HydrophobicContact CE2-CE1 3.68Å; F276-F290 HydrophobicContact CE2-CE2 4.06Å; F276-F290 AromaticContact CE2-CG 3.81Å; F276-F290 HydrophobicContact CE2-CG 3.81Å; F276-F290 AromaticContact CE2-CZ 3.9Å; F276-F290 HydrophobicContact CE2-CZ 3.9Å; F276-F290 AromaticContact CZ-CD1 3.92Å; F276-F290 HydrophobicContact CZ-CD1 3.92Å; F276-F290 HydrophobicContact CZ-CE1 4.31Å; F276-F290 HydrophobicContact CZ-CG 4.16Å; F276-F297 AromaticContact CE1-CD1 3.93Å; F276-F297 HydrophobicContact CE1-CD1 3.93Å; F276-F297 AromaticContact CE1-CE1 3.79Å; F276-F297 HydrophobicContact CE1-CE1 3.79Å; F276-F297 AromaticContact CZ-CD1 3.77Å; F276-F297 HydrophobicContact CZ-CD1 3.77Å; F276-F297 AromaticContact CZ-CE1 3.85Å; F276-F297 HydrophobicContact CZ-CE1 3.85Å; F276-L301 HydrophobicContact CZ-CD1 4.2Å; F276-V320 CarbonylContact C-O 3.52Å; F276-V320 VanDerWaalsContact CA-O 3.32Å; F276-V320 WeakPolarHBondContact CA-O 3.24Å; F276-V320 HydrophobicContact CD1-CB 4.07Å; F276-V320 HydrophobicContact CD1-CG1 4.44Å; F276-V320 HydrophobicContact CE1-CB 4.29Å; F276-L322 HydrophobicContact CB-CD1 4.11Å; F276-L322 HydrophobicContact CD1-CD1 3.87Å; F276-L322 HydrophobicContact CD1-CD2 4.23Å; F276-L322 HydrophobicContact CD1-CG 4.04Å; F276-L322 HydrophobicContact CG-CD1 4.12Å; F276-F330 HydrophobicContact CB-CE1 3.99Å; F276-F330 HydrophobicContact CB-CZ 3.89Å; F276-F330 HydrophobicContact CD2-CE1 4.33Å; F276-F330 AromaticContact CD2-CZ 3.79Å; F276-F330 HydrophobicContact CD2-CZ 3.79Å; F276-F330 HydrophobicContact CG-CE1 4.45Å; F276-F330 AromaticContact CG-CZ 3.92Å; F276-F330 HydrophobicContact CG-CZ 3.92Å
277R91.6Very high86.8Confident71 Ų7135.6 Ų35.627%0.26824%0.236SC..EExtended strand (participates in β ladder)trans-92.8118.6173.9-63.7-173-165.9-163.97.2109.3C281 E312 A319 V320 T321 L322R277-C281 CarbonylContact C-O 3.56Å; R277-C281 VanDerWaalsContact CA-O 3.32Å; R277-C281 WeakPolarHBondContact CA-O 3.21Å; R277-E312 IonicContact CZ-OE1 2.78Å; R277-E312 VanDerWaalsContact CZ-OE1 3.3Å; R277-E312 IonicContact NH1-OE1 3.33Å; R277-E312 PolarHBondContact NH1-OE1 3.44Å; R277-E312 IonicContact NH2-OE1 2.81Å; R277-E312 PolarHBondContact NH2-OE1 3.06Å; R277-A319 HydrophobicContact CG-CB 4.39Å; R277-V320 PolarHBondContact N-O 2.92Å; R277-T321 WeakPolarHBondContact O-CA 3.37Å; R277-L322 PolarHBondContact O-N 3.5Å
278V92.9Very high88.6Confident0 Ų032.5 Ų32.50%021%0.205CC..EExtended strand (participates in β ladder)trans-127.1114.8-179-179.10000108.8G280 C281 F283 L322 I325 P327 F330V278-G280 PolarHBondContact O-N 3.31Å; V278-C281 PolarHBondContact N-O 3.3Å; V278-C281 WeakPolarHBondContact O-CB 3.47Å; V278-C281 PolarHBondContact O-N 3.16Å; V278-F283 HydrophobicContact CB-CD2 4.26Å; V278-F283 HydrophobicContact CB-CE2 3.88Å; V278-F283 HydrophobicContact CG2-CD2 4.05Å; V278-F283 HydrophobicContact CG2-CE2 4.05Å; V278-L322 HydrophobicContact CG2-CB 4.21Å; V278-L322 HydrophobicContact CG2-CD1 4.25Å; V278-I325 HydrophobicContact CG1-CG2 3.7Å; V278-I325 VanDerWaalsContact CG1-O 3.24Å; V278-I325 WeakPolarHBondContact CG1-O 3.45Å; V278-I325 HydrophobicContact CG2-CG2 4.35Å; V278-P327 HydrophobicContact CG1-CG 4.28Å; V278-F330 HydrophobicContact CG1-CB 4.47Å; V278-F330 HydrophobicContact CG2-CB 4.27Å; V278-F330 HydrophobicContact CG2-CD1 3.89Å; V278-F330 HydrophobicContact CG2-CD2 4.44Å; V278-F330 HydrophobicContact CG2-CE1 4.33Å; V278-F330 HydrophobicContact CG2-CG 3.94Å
279A88.8Confident90Very high82 Ų8230.9 Ų30.968%0.67820%0.198SC*.THydrogen-bonded Turntrans47.933.8-179.900000114.6P327A279-P327 HydrophobicContact CB-CG 4.01Å
280G84.4Confident90.9Very high75 Ų7526.7 Ų26.777%0.77318%0.175SC*.THydrogen-bonded Turntrans91.8-11.7-178.200000115.5V278V278-G280 PolarHBondContact O-N 3.31Å
281C89.8Confident91.5Very high20 Ų2026.3 Ų26.314%0.13517%0.172CC..EExtended strand (participates in β ladder)trans-84.7140.8173.4-65.90000111.2P250 R277 V278 F283 P327P250-C281 HydrophobicContact CB-CB 4.2Å; P250-C281 HydrophobicContact CG-CB 3.99Å; R277-C281 CarbonylContact C-O 3.56Å; R277-C281 VanDerWaalsContact CA-O 3.32Å; R277-C281 WeakPolarHBondContact CA-O 3.21Å; V278-C281 PolarHBondContact N-O 3.3Å; V278-C281 WeakPolarHBondContact O-CB 3.47Å; V278-C281 PolarHBondContact O-N 3.16Å; C281-F283 HydrophobicContact CB-CD2 4.5Å; C281-F283 HydrophobicContact CB-CE2 3.87Å; C281-P327 HydrophobicContact CB-CB 4.46Å; C281-P327 HydrophobicContact CB-CG 4.43Å
282S90.4Very high91.6Very high55 Ų5526 Ų2639%0.38518%0.175SC..EExtended strand (participates in β ladder)trans-107.5112.1-179.1-64.80000111.4
283F92.9Very high91.7Very high0 Ų025.7 Ų25.70%017%0.169CC..EExtended strand (participates in β ladder)trans-95.8123.6176-65.4-102.3000109.7A248 L249 P250 L253 C275 F276 V278 C281 P327 F330 L334A248-F283 VanDerWaalsContact O-CA 3.28Å; A248-F283 WeakPolarHBondContact O-CA 3.25Å; L249-F283 HydrophobicContact CD2-CD1 4.42Å; L249-F283 HydrophobicContact CD2-CE1 3.91Å; P250-F283 VanDerWaalsContact CD-CE1 3.46Å; P250-F283 HydrophobicContact CG-CD1 4.48Å; P250-F283 HydrophobicContact CG-CE1 4.11Å; P250-F283 HydrophobicContact CG-CE2 4.16Å; P250-F283 HydrophobicContact CG-CZ 3.94Å; L253-F283 HydrophobicContact CD1-CE1 4.16Å; L253-F283 HydrophobicContact CD1-CZ 3.67Å; C275-F283 CarbonylContact C-O 3.52Å; C275-F283 VanDerWaalsContact CA-O 3.23Å; C275-F283 WeakPolarHBondContact CA-O 3.37Å; F276-F283 HydrophobicContact CB-CB 4.34Å; F276-F283 PolarHBondContact N-O 3.28Å; F276-F283 PolarHBondContact O-N 2.82Å; V278-F283 HydrophobicContact CB-CD2 4.26Å; V278-F283 HydrophobicContact CB-CE2 3.88Å; V278-F283 HydrophobicContact CG2-CD2 4.05Å; V278-F283 HydrophobicContact CG2-CE2 4.05Å; C281-F283 HydrophobicContact CB-CD2 4.5Å; C281-F283 HydrophobicContact CB-CE2 3.87Å; F283-P327 HydrophobicContact CE2-CB 4.33Å; F283-P327 HydrophobicContact CZ-CB 4.08Å; F283-F330 HydrophobicContact CB-CD1 4.38Å; F283-F330 HydrophobicContact CB-CE1 3.87Å; F283-F330 AromaticContact CD1-CD1 3.7Å; F283-F330 HydrophobicContact CD1-CD1 3.7Å; F283-F330 AromaticContact CD1-CE1 3.95Å; F283-F330 HydrophobicContact CD1-CE1 3.95Å; F283-F330 AromaticContact CD2-CD1 3.78Å; F283-F330 HydrophobicContact CD2-CD1 3.78Å; F283-F330 HydrophobicContact CD2-CE1 4.06Å; F283-F330 AromaticContact CE1-CD1 3.8Å; F283-F330 HydrophobicContact CE1-CD1 3.8Å; F283-F330 HydrophobicContact CE1-CE1 4.5Å; F283-F330 AromaticContact CE2-CD1 3.92Å; F283-F330 HydrophobicContact CE2-CD1 3.92Å; F283-F330 AromaticContact CG-CD1 3.68Å; F283-F330 HydrophobicContact CG-CD1 3.68Å; F283-F330 AromaticContact CG-CE1 3.69Å; F283-F330 HydrophobicContact CG-CE1 3.69Å; F283-F330 AromaticContact CZ-CD1 3.91Å; F283-F330 HydrophobicContact CZ-CD1 3.91Å; F283-L334 HydrophobicContact CD1-CD2 4.09Å; F283-L334 HydrophobicContact CE1-CD2 4.49Å
284L92Very high91.7Very high67 Ų6723.3 Ų23.335%0.35116%0.156SC..EExtended strand (participates in β ladder)trans-99.6100.9-176.1-66.4179000110.8A248 P272 C275 P317A248-L284 WeakPolarHBondContact CA-O 3.19Å; A248-L284 WeakPolarHBondContact CB-O 3.24Å; A248-L284 PolarHBondContact O-N 2.67Å; P272-L284 HydrophobicContact CB-CB 3.84Å; P272-L284 HydrophobicContact CG-CB 3.96Å; P272-L284 HydrophobicContact CG-CD1 4.4Å; C275-L284 HydrophobicContact CB-CD2 4Å; L284-P317 HydrophobicContact CD2-CG 3.97Å
285C94Very high91.5Very high0 Ų027.4 Ų27.40%018%0.178CC..EExtended strand (participates in β ladder)trans-117.5178.3-165.5-67.70000113.4P272 D273 V274 F276 F290 L334 Y338P272-C285 WeakPolarHBondContact CA-O 3.35Å; P272-C285 WeakPolarHBondContact CB-O 3.32Å; D273-C285 PolarHBondContact N-O 2.87Å; D273-C285 VanDerWaalsContact N-O 3.11Å; V274-C285 HydrophobicContact CG1-CB 3.89Å; V274-C285 WeakPolarHBondContact CG1-O 3.37Å; V274-C285 PolarHBondContact N-O 3.28Å; V274-C285 PolarHBondContact O-N 3.13Å; F276-C285 HydrophobicContact CD2-CB 3.94Å; F276-C285 HydrophobicContact CE2-CB 3.96Å; C285-F290 HydrophobicContact CB-CD2 4.04Å; C285-F290 HydrophobicContact CB-CE2 3.6Å; C285-F290 HydrophobicContact CB-CZ 4.33Å; C285-L334 WeakPolarHBondContact SG-CD1 3.37Å; C285-Y338 WeakPolarHBondContact CA-OH 3.47Å
286H94.1Very high91.4Very high4 Ų430.6 Ų30.62%0.01919%0.19CC..  trans-116.6121.2179.4-49.790.4000110.7C131 S270 D273 A288 F289 F290 Y338C131-H286 WeakPolarHBondContact CB-NE2 3.28Å; S270-H286 PolarHBondContact O-NE2 2.66Å; D273-H286 WeakPolarHBondContact OD1-CA 3.44Å; H286-A288 PolarHBondContact O-N 3.4Å; H286-F289 HydrophobicContact CB-CD2 4.15Å; H286-F289 PolarHBondContact O-N 3.13Å; H286-F290 PolarHBondContact O-N 3.27Å; H286-Y338 HydrophobicContact CB-CE1 4.4Å; H286-Y338 PolarHBondContact N-OH 3.34Å; H286-Y338 AromaticContact ND1-CE1 3.43Å; H286-Y338 WeakPolarHBondContact ND1-CE1 3.39Å; H286-Y338 AromaticContact ND1-CZ 3.44Å; H286-Y338 PolarHBondContact ND1-OH 3.22Å
287K93.3Very high91.4Very high49 Ų4930.6 Ų30.621%0.21319%0.19CC..Hα-helixtrans-55.3-39.7177.5-65.7-176.3178.3-170.60111.5H114 D273 V274 F289 F290 C291 L301H114-K287 HydrophobicContact CB-CB 4.46Å; D273-K287 WeakPolarHBondContact O-CE 3.43Å; D273-K287 WeakPolarHBondContact OD1-CG 3.46Å; D273-K287 PolarHBondContact OD1-N 3.35Å; V274-K287 HydrophobicContact CB-CG 3.82Å; V274-K287 HydrophobicContact CG1-CG 3.84Å; K287-F289 PolarHBondContact O-N 3.24Å; K287-F289 VanDerWaalsContact O-N 3.16Å; K287-F290 PolarHBondContact O-N 2.78Å; K287-C291 VanDerWaalsContact O-CB 3.24Å; K287-C291 WeakPolarHBondContact O-CB 3.48Å; K287-C291 PolarHBondContact O-N 2.81Å; K287-C291 PolarHBondContact O-SG 3.36Å; K287-L301 HydrophobicContact CG-CD1 4.21Å
288A94.1Very high91.3Very high3 Ų331.5 Ų31.53%0.02519%0.193CC..Hα-helixtrans-50.8-41.6179.700000113.1L108 H114 H286 G292L108-A288 HydrophobicContact CD1-CB 3.96Å; H114-A288 HydrophobicContact CB-CB 3.98Å; H286-A288 PolarHBondContact O-N 3.4Å; A288-G292 PolarHBondContact O-N 3.44Å
289F95.6Very high91.1Very high0 Ų034.1 Ų34.10%022%0.215CC..Hα-helixtrans-79.2-48.8179.2-80.2-99.3000112.2F104 L105 V132 M241 L244 H286 K287 G292 R293 V337 Y338F104-F289 AromaticContact CE1-CD1 3.84Å; F104-F289 HydrophobicContact CE1-CD1 3.84Å; F104-F289 AromaticContact CE1-CE1 3.95Å; F104-F289 HydrophobicContact CE1-CE1 3.95Å; F104-F289 AromaticContact CZ-CD1 3.79Å; F104-F289 HydrophobicContact CZ-CD1 3.79Å; F104-F289 HydrophobicContact CZ-CE1 4.18Å; F104-F289 HydrophobicContact CZ-CG 4.18Å; L105-F289 HydrophobicContact CD2-CE1 4.27Å; L105-F289 HydrophobicContact CD2-CZ 4.41Å; V132-F289 HydrophobicContact CG2-CE2 3.88Å; V132-F289 HydrophobicContact CG2-CZ 3.94Å; M241-F289 HydrophobicContact SD-CE1 4.35Å; M241-F289 HydrophobicContact SD-CZ 3.83Å; L244-F289 HydrophobicContact CD1-CE2 3.77Å; L244-F289 HydrophobicContact CD1-CZ 3.76Å; H286-F289 HydrophobicContact CB-CD2 4.15Å; H286-F289 PolarHBondContact O-N 3.13Å; K287-F289 PolarHBondContact O-N 3.24Å; K287-F289 VanDerWaalsContact O-N 3.16Å; F289-G292 PolarHBondContact O-N 3.47Å; F289-R293 VanDerWaalsContact O-CB 3.24Å; F289-R293 WeakPolarHBondContact O-CB 3.45Å; F289-R293 WeakPolarHBondContact O-CG 3.27Å; F289-R293 PolarHBondContact O-N 2.9Å; F289-V337 HydrophobicContact CB-CG1 3.79Å; F289-Y338 HydrophobicContact CB-CD1 4.17Å; F289-Y338 HydrophobicContact CB-CE1 3.85Å; F289-Y338 AromaticContact CD1-CD1 3.53Å; F289-Y338 HydrophobicContact CD1-CD1 3.53Å; F289-Y338 AromaticContact CD1-CE1 3.99Å; F289-Y338 HydrophobicContact CD1-CE1 3.99Å; F289-Y338 HydrophobicContact CD1-CG 4.39Å; F289-Y338 HydrophobicContact CD2-CD1 4.01Å; F289-Y338 AromaticContact CD2-CE1 3.68Å; F289-Y338 HydrophobicContact CD2-CE1 3.68Å; F289-Y338 AromaticContact CE1-CD1 3.81Å; F289-Y338 HydrophobicContact CE1-CD1 3.81Å; F289-Y338 HydrophobicContact CE1-CE1 4.46Å; F289-Y338 HydrophobicContact CE2-CD1 4.26Å; F289-Y338 HydrophobicContact CE2-CE1 4.2Å; F289-Y338 AromaticContact CG-CD1 3.63Å; F289-Y338 HydrophobicContact CG-CD1 3.63Å; F289-Y338 AromaticContact CG-CE1 3.56Å; F289-Y338 HydrophobicContact CG-CE1 3.56Å; F289-Y338 HydrophobicContact CZ-CD1 4.17Å
290F95Very high91Very high0 Ų031.4 Ų31.40%019%0.189CC..Hα-helixtrans-65-48.1-177.4-82.4-99.6000112F276 C285 H286 K287 G292 R293 S294 F297 L301 F330 L334 V337 Y338F276-F290 HydrophobicContact CD2-CE1 4.24Å; F276-F290 HydrophobicContact CD2-CZ 4.25Å; F276-F290 AromaticContact CE2-CD1 3.63Å; F276-F290 HydrophobicContact CE2-CD1 3.63Å; F276-F290 HydrophobicContact CE2-CD2 4.01Å; F276-F290 AromaticContact CE2-CE1 3.68Å; F276-F290 HydrophobicContact CE2-CE1 3.68Å; F276-F290 HydrophobicContact CE2-CE2 4.06Å; F276-F290 AromaticContact CE2-CG 3.81Å; F276-F290 HydrophobicContact CE2-CG 3.81Å; F276-F290 AromaticContact CE2-CZ 3.9Å; F276-F290 HydrophobicContact CE2-CZ 3.9Å; F276-F290 AromaticContact CZ-CD1 3.92Å; F276-F290 HydrophobicContact CZ-CD1 3.92Å; F276-F290 HydrophobicContact CZ-CE1 4.31Å; F276-F290 HydrophobicContact CZ-CG 4.16Å; C285-F290 HydrophobicContact CB-CD2 4.04Å; C285-F290 HydrophobicContact CB-CE2 3.6Å; C285-F290 HydrophobicContact CB-CZ 4.33Å; H286-F290 PolarHBondContact O-N 3.27Å; K287-F290 PolarHBondContact O-N 2.78Å; F290-G292 VanDerWaalsContact C-N 3.34Å; F290-G292 PolarHBondContact O-N 3.35Å; F290-R293 PolarHBondContact O-N 2.93Å; F290-S294 WeakPolarHBondContact O-CB 3.48Å; F290-S294 PolarHBondContact O-N 3.08Å; F290-F297 HydrophobicContact CB-CB 3.98Å; F290-F297 HydrophobicContact CB-CD2 4.46Å; F290-F297 HydrophobicContact CB-CG 4.17Å; F290-F297 HydrophobicContact CD1-CD1 4.05Å; F290-F297 AromaticContact CD1-CD2 3.6Å; F290-F297 HydrophobicContact CD1-CD2 3.6Å; F290-F297 HydrophobicContact CD1-CE1 4.13Å; F290-F297 AromaticContact CD1-CE2 3.69Å; F290-F297 HydrophobicContact CD1-CE2 3.69Å; F290-F297 AromaticContact CD1-CG 3.8Å; F290-F297 HydrophobicContact CD1-CG 3.8Å; F290-F297 AromaticContact CD1-CZ 3.96Å; F290-F297 HydrophobicContact CD1-CZ 3.96Å; F290-F297 HydrophobicContact CE1-CD2 4.39Å; F290-F297 HydrophobicContact CE1-CE1 4.5Å; F290-F297 HydrophobicContact CE1-CE2 4.03Å; F290-F297 HydrophobicContact CE1-CZ 4.09Å; F290-F297 HydrophobicContact CG-CG 4.5Å; F290-L301 HydrophobicContact CB-CD1 4.5Å; F290-F330 HydrophobicContact CE1-CE2 4.33Å; F290-F330 AromaticContact CE1-CZ 3.97Å; F290-F330 HydrophobicContact CE1-CZ 3.97Å; F290-F330 HydrophobicContact CZ-CZ 4.12Å; F290-L334 HydrophobicContact CE2-CD1 4.2Å; F290-L334 HydrophobicContact CZ-CD1 3.94Å; F290-V337 HydrophobicContact CD2-CG1 3.88Å; F290-V337 HydrophobicContact CE1-CG2 4.31Å; F290-V337 HydrophobicContact CE2-CG1 3.93Å; F290-V337 HydrophobicContact CG-CG1 4.2Å; F290-V337 HydrophobicContact CZ-CG1 4.31Å; F290-Y338 HydrophobicContact CE2-CE2 4.11Å
291C91.7Very high91.1Very high3 Ų329.2 Ų29.22%0.0216%0.159CC..Hα-helixtrans-66.6-33.9176.1-63.60000112.4H114 K287 R298H114-C291 PolarHBondContact NE2-SG 3.44Å; K287-C291 VanDerWaalsContact O-CB 3.24Å; K287-C291 WeakPolarHBondContact O-CB 3.48Å; K287-C291 PolarHBondContact O-N 2.81Å; K287-C291 PolarHBondContact O-SG 3.36Å; C291-R298 HydrophobicContact CB-CB 4.2Å; C291-R298 HydrophobicContact CB-CG 4.16Å; C291-R298 PolarHBondContact O-NE 3.06Å; C291-R298 PolarHBondContact O-NH2 2.98Å
292G87.8Confident90.7Very high25 Ų2532.3 Ų32.326%0.25817%0.174SC..Hα-helixtrans-74.1-29-18000000113.7A288 F289 F290A288-G292 PolarHBondContact O-N 3.44Å; F289-G292 PolarHBondContact O-N 3.47Å; F290-G292 VanDerWaalsContact C-N 3.34Å; F290-G292 PolarHBondContact O-N 3.35Å
293R90.1Very high89.4Confident27 Ų2734.6 Ų34.610%0.10218%0.182CC..Hα-helixtrans-101.1-18.6-174.3-63.9-86.4-75.8160.9-0.4114F104 F289 F290 Y336 V337 D340F104-R293 HydrophobicContact CD1-CG 4.13Å; F104-R293 HydrophobicContact CD2-CG 4.09Å; F104-R293 HydrophobicContact CE1-CG 3.99Å; F104-R293 HydrophobicContact CE2-CG 4Å; F104-R293 HydrophobicContact CG-CG 4.16Å; F104-R293 HydrophobicContact CZ-CG 3.94Å; F289-R293 VanDerWaalsContact O-CB 3.24Å; F289-R293 WeakPolarHBondContact O-CB 3.45Å; F289-R293 WeakPolarHBondContact O-CG 3.27Å; F289-R293 PolarHBondContact O-N 2.9Å; F290-R293 PolarHBondContact O-N 2.93Å; R293-Y336 VanDerWaalsContact NH2-CE2 3.31Å; R293-Y336 PolarHBondContact NH2-O 3.24Å; R293-Y336 PolarHBondContact NH2-OH 3.09Å; R293-V337 PolarHBondContact NE-O 3.46Å; R293-D340 IonicContact CZ-OD1 3.89Å; R293-D340 IonicContact NH1-OD1 3.25Å; R293-D340 PolarHBondContact NH1-OD1 3.04Å; R293-D340 IonicContact NH2-OD1 2.71Å; R293-D340 PolarHBondContact NH2-OD1 3.37Å
294S91.6Very high87.3Confident0 Ų043 Ų430%022%0.221CC..  trans-137.3127.3-177.3168.90000112F290 Y296 F297 R298 Y359F290-S294 WeakPolarHBondContact O-CB 3.48Å; F290-S294 PolarHBondContact O-N 3.08Å; S294-Y296 VanDerWaalsContact C-N 3.28Å; S294-Y296 WeakPolarHBondContact OG-CB 3.42Å; S294-Y296 PolarHBondContact OG-N 3.03Å; S294-F297 WeakPolarHBondContact OG-CD2 3.27Å; S294-F297 PolarHBondContact OG-N 3.44Å; S294-F297 VanDerWaalsContact OG-N 3.1Å; S294-R298 WeakPolarHBondContact O-CB 3.25Å; S294-R298 PolarHBondContact O-N 3.29Å; S294-Y359 PolarHBondContact OG-O 3.43Å
295D85.8Confident85.4Confident87 Ų8747.4 Ų47.447%0.46524%0.238SC..Hα-helixtrans-70-28.9173.5-66.1-10.9000111.7R298 A299 L360D295-R298 IonicContact OD1-CZ 2.97Å; D295-R298 IonicContact OD1-NH1 3.56Å; D295-R298 PolarHBondContact OD1-NH1 2.83Å; D295-R298 IonicContact OD1-NH2 3.43Å; D295-R298 PolarHBondContact OD1-NH2 2.71Å; D295-A299 WeakPolarHBondContact O-CB 3.27Å; D295-A299 PolarHBondContact O-N 2.88Å; D295-L360 HydrophobicContact CB-CD1 4.07Å
296Y91.6Very high83.3Confident75 Ų7557.6 Ų57.629%0.29428%0.276SS..Hα-helixtrans-62.8-52.8173.4170.6-91.4000110.6S294 R298 A299 L300 Y359S294-Y296 VanDerWaalsContact C-N 3.28Å; S294-Y296 WeakPolarHBondContact OG-CB 3.42Å; S294-Y296 PolarHBondContact OG-N 3.03Å; Y296-R298 VanDerWaalsContact C-N 3.31Å; Y296-R298 PolarHBondContact O-N 2.94Å; Y296-A299 PolarHBondContact O-N 2.8Å; Y296-L300 HydrophobicContact CE1-CD2 3.93Å; Y296-L300 WeakPolarHBondContact O-CB 3.42Å; Y296-L300 PolarHBondContact O-N 2.83Å; Y296-Y359 AromaticContact CD1-CD1 3.5Å; Y296-Y359 HydrophobicContact CD1-CD1 3.5Å; Y296-Y359 HydrophobicContact CD1-CE1 4.12Å; Y296-Y359 HydrophobicContact CD1-CG 4.19Å; Y296-Y359 AromaticContact CE1-CD1 3.43Å; Y296-Y359 HydrophobicContact CE1-CD1 3.43Å; Y296-Y359 VanDerWaalsContact CE1-CD1 3.43Å; Y296-Y359 AromaticContact CE1-CE1 3.55Å; Y296-Y359 HydrophobicContact CE1-CE1 3.55Å; Y296-Y359 HydrophobicContact CE1-CG 4.42Å; Y296-Y359 HydrophobicContact CE2-CD1 4.45Å; Y296-Y359 HydrophobicContact CG-CD1 4.09Å; Y296-Y359 AromaticContact CZ-CD1 3.94Å; Y296-Y359 AromaticContact CZ-CE1 3.88Å
297F92Very high81.3Confident0 Ų062 Ų620%030%0.297CS..Hα-helixtrans-68.4-32179.9-72.6-66.9000112.4F276 F290 S294 L300 L301 L322 F330 Y359F276-F297 AromaticContact CE1-CD1 3.93Å; F276-F297 HydrophobicContact CE1-CD1 3.93Å; F276-F297 AromaticContact CE1-CE1 3.79Å; F276-F297 HydrophobicContact CE1-CE1 3.79Å; F276-F297 AromaticContact CZ-CD1 3.77Å; F276-F297 HydrophobicContact CZ-CD1 3.77Å; F276-F297 AromaticContact CZ-CE1 3.85Å; F276-F297 HydrophobicContact CZ-CE1 3.85Å; F290-F297 HydrophobicContact CB-CB 3.98Å; F290-F297 HydrophobicContact CB-CD2 4.46Å; F290-F297 HydrophobicContact CB-CG 4.17Å; F290-F297 HydrophobicContact CD1-CD1 4.05Å; F290-F297 AromaticContact CD1-CD2 3.6Å; F290-F297 HydrophobicContact CD1-CD2 3.6Å; F290-F297 HydrophobicContact CD1-CE1 4.13Å; F290-F297 AromaticContact CD1-CE2 3.69Å; F290-F297 HydrophobicContact CD1-CE2 3.69Å; F290-F297 AromaticContact CD1-CG 3.8Å; F290-F297 HydrophobicContact CD1-CG 3.8Å; F290-F297 AromaticContact CD1-CZ 3.96Å; F290-F297 HydrophobicContact CD1-CZ 3.96Å; F290-F297 HydrophobicContact CE1-CD2 4.39Å; F290-F297 HydrophobicContact CE1-CE1 4.5Å; F290-F297 HydrophobicContact CE1-CE2 4.03Å; F290-F297 HydrophobicContact CE1-CZ 4.09Å; F290-F297 HydrophobicContact CG-CG 4.5Å; S294-F297 WeakPolarHBondContact OG-CD2 3.27Å; S294-F297 PolarHBondContact OG-N 3.44Å; S294-F297 VanDerWaalsContact OG-N 3.1Å; F297-L300 HydrophobicContact CD1-CD2 3.96Å; F297-L300 HydrophobicContact CE1-CD2 4.27Å; F297-L300 PolarHBondContact O-N 3.14Å; F297-L301 HydrophobicContact CB-CD1 4.48Å; F297-L301 VanDerWaalsContact O-CB 3.27Å; F297-L301 WeakPolarHBondContact O-CB 3.32Å; F297-L301 VanDerWaalsContact O-CG 3.28Å; F297-L301 WeakPolarHBondContact O-CG 3.26Å; F297-L301 PolarHBondContact O-N 3.07Å; F297-L322 HydrophobicContact CE1-CD1 4.27Å; F297-L322 HydrophobicContact CE1-CD2 4.34Å; F297-L322 HydrophobicContact CZ-CD1 4.45Å; F297-F330 HydrophobicContact CZ-CE2 4.36Å; F297-Y359 HydrophobicContact CE2-CD1 4.46Å; F297-Y359 AromaticContact CE2-CD2 3.82Å; F297-Y359 HydrophobicContact CE2-CD2 3.82Å; F297-Y359 HydrophobicContact CE2-CE2 4.42Å; F297-Y359 AromaticContact CE2-CG 3.86Å; F297-Y359 HydrophobicContact CE2-CG 3.86Å; F297-Y359 HydrophobicContact CZ-CD1 4.23Å; F297-Y359 AromaticContact CZ-CD2 3.72Å; F297-Y359 HydrophobicContact CZ-CD2 3.72Å; F297-Y359 HydrophobicContact CZ-CE1 4.35Å; F297-Y359 AromaticContact CZ-CE2 3.86Å; F297-Y359 HydrophobicContact CZ-CE2 3.86Å; F297-Y359 AromaticContact CZ-CG 3.94Å; F297-Y359 HydrophobicContact CZ-CG 3.94Å
298R89.6Confident79.4Confident89 Ų8962.4 Ų62.434%0.33631%0.306SS..Hα-helixtrans-60.4-49.3171.2-163-179.7-50.3115.614.4111.1C291 S294 D295 Y296 L300 L301 D302C291-R298 HydrophobicContact CB-CB 4.2Å; C291-R298 HydrophobicContact CB-CG 4.16Å; C291-R298 PolarHBondContact O-NE 3.06Å; C291-R298 PolarHBondContact O-NH2 2.98Å; S294-R298 WeakPolarHBondContact O-CB 3.25Å; S294-R298 PolarHBondContact O-N 3.29Å; D295-R298 IonicContact OD1-CZ 2.97Å; D295-R298 IonicContact OD1-NH1 3.56Å; D295-R298 PolarHBondContact OD1-NH1 2.83Å; D295-R298 IonicContact OD1-NH2 3.43Å; D295-R298 PolarHBondContact OD1-NH2 2.71Å; Y296-R298 VanDerWaalsContact C-N 3.31Å; Y296-R298 PolarHBondContact O-N 2.94Å; R298-L300 VanDerWaalsContact C-N 3.32Å; R298-L300 PolarHBondContact O-N 3.14Å; R298-L301 PolarHBondContact O-N 3.13Å; R298-D302 VanDerWaalsContact CG-OD2 3.23Å; R298-D302 WeakPolarHBondContact CG-OD2 3.48Å; R298-D302 VanDerWaalsContact O-CB 3.23Å; R298-D302 WeakPolarHBondContact O-CB 3.48Å; R298-D302 PolarHBondContact O-N 3.39Å
299A87.6Confident77.4Confident55 Ų5567.5 Ų67.546%0.45533%0.329SS..Hα-helixtrans-62.2-40.1175.900000112.1D295 Y296 L301 D303D295-A299 WeakPolarHBondContact O-CB 3.27Å; D295-A299 PolarHBondContact O-N 2.88Å; Y296-A299 PolarHBondContact O-N 2.8Å; A299-L301 PolarHBondContact O-N 3.29Å; A299-D303 WeakPolarHBondContact O-CB 3.4Å; A299-D303 PolarHBondContact O-N 3.1Å
300L87.8Confident75.3Confident26 Ų2675.1 Ų75.114%0.13637%0.365CS..Hα-helixtrans-65.2-37.7179.5-174.964.9000113.1Y296 F297 R298 V320 L322Y296-L300 HydrophobicContact CE1-CD2 3.93Å; Y296-L300 WeakPolarHBondContact O-CB 3.42Å; Y296-L300 PolarHBondContact O-N 2.83Å; F297-L300 HydrophobicContact CD1-CD2 3.96Å; F297-L300 HydrophobicContact CE1-CD2 4.27Å; F297-L300 PolarHBondContact O-N 3.14Å; R298-L300 VanDerWaalsContact C-N 3.32Å; R298-L300 PolarHBondContact O-N 3.14Å; L300-V320 HydrophobicContact CD2-CG1 3.94Å; L300-V320 HydrophobicContact CG-CG1 4.36Å; L300-L322 HydrophobicContact CD2-CD2 4.24Å
301L86.4Confident73.2Confident29 Ų2980.1 Ų80.115%0.15240%0.397CS..Hα-helixtrans-101.3-28-170.5-64.2172000114.1V274 F276 K287 F290 F297 R298 A299 V320V274-L301 HydrophobicContact CG2-CD2 3.89Å; F276-L301 HydrophobicContact CZ-CD1 4.2Å; K287-L301 HydrophobicContact CG-CD1 4.21Å; F290-L301 HydrophobicContact CB-CD1 4.5Å; F297-L301 HydrophobicContact CB-CD1 4.48Å; F297-L301 VanDerWaalsContact O-CB 3.27Å; F297-L301 WeakPolarHBondContact O-CB 3.32Å; F297-L301 VanDerWaalsContact O-CG 3.28Å; F297-L301 WeakPolarHBondContact O-CG 3.26Å; F297-L301 PolarHBondContact O-N 3.07Å; R298-L301 PolarHBondContact O-N 3.13Å; A299-L301 PolarHBondContact O-N 3.29Å; L301-V320 HydrophobicContact CD2-CG2 4.07Å
302D80.4Confident71Confident85 Ų8584.7 Ų84.746%0.45542%0.418SS..Hα-helixtrans-95.5-29179.6-68.4-21.9000112.9H114 R298H114-D302 IonicContact CE1-OD1 3.83Å; H114-D302 PolarHBondContact CE1-OD1 3.01Å; H114-D302 IonicContact NE2-OD1 2.86Å; R298-D302 VanDerWaalsContact CG-OD2 3.23Å; R298-D302 WeakPolarHBondContact CG-OD2 3.48Å; R298-D302 VanDerWaalsContact O-CB 3.23Å; R298-D302 WeakPolarHBondContact O-CB 3.48Å; R298-D302 PolarHBondContact O-N 3.39Å
303D63.3Low69.2Low102 Ų10291.1 Ų91.155%0.54545%0.452SS..SBendtrans-88.9154.3-178.3-143.3-12.1000111.5A299 F305A299-D303 WeakPolarHBondContact O-CB 3.4Å; A299-D303 PolarHBondContact O-N 3.1Å; D303-F305 PolarHBondContact O-N 3.42Å
304H49.9Very low67.4Low178 Ų17893.6 Ų93.682%0.82447%0.474SS*.SBendtrans-66.720.7-167.3-74.3-65.6000116.7R306H304-R306 PolarHBondContact O-N 3.35Å; H304-R306 VanDerWaalsContact O-N 3.12Å
305F51.2Low65.9Low159 Ų15998.2 Ų98.270%0.69752%0.521SS*.  trans-78.395.6174.3-91.6-94.1000110.5D303 E307D303-F305 PolarHBondContact O-N 3.42Å; F305-E307 PolarHBondContact O-N 3.12Å
306R50Low65.2Low214 Ų21496.2 Ų96.281%0.80852%0.521SS*.  trans-71.961.8179.9-57.8175.884.9176.43.3112.2H304H304-R306 PolarHBondContact O-N 3.35Å; H304-R306 VanDerWaalsContact O-N 3.12Å
307E53Low64.7Low97 Ų9794.5 Ų94.545%0.45352%0.519SS..  trans-83.35.9159-74.9-173.2168.900112.1F305 E309F305-E307 PolarHBondContact O-N 3.12Å; E307-E309 VanDerWaalsContact C-N 3.33Å; E307-E309 PolarHBondContact O-N 2.88Å
308S52.8Low64.4Low57 Ų5797 Ų9740%0.39954%0.536SS..  trans-65.797.6159640000107.8E310 A319S308-E310 PolarHBondContact O-N 3.16Å; S308-A319 WeakPolarHBondContact CA-O 3.44Å
309E52.7Low64.2Low109 Ų10993.1 Ų93.151%0.50952%0.523SS..BIsolated β-bridgetrans-50.3131.5157.3-71.2-174.5155.300106.5E307E307-E309 VanDerWaalsContact C-N 3.33Å; E307-E309 PolarHBondContact O-N 2.88Å
310E50.1Low64.2Low161 Ų16191 Ų9175%0.75250%0.504SS*.  trans-47.1143.4175.6-70.6-173162.300108.4S308 E312S308-E310 PolarHBondContact O-N 3.16Å; E310-E312 VanDerWaalsContact C-N 3.35Å; E310-E312 PolarHBondContact O-N 2.57Å
311P51.2Low64.4Low104 Ų10491.6 Ų91.668%0.67551%0.509SS*.  trans-53107.3177.722.2-31.6000107.2T313P311-T313 PolarHBondContact O-N 3.11Å
312E46.9Very low64.6Low99 Ų9990.6 Ų90.646%0.46350%0.504SS..  trans-45.9139.6162.2-69-179.2-135.200105.1R277 E310 S314R277-E312 IonicContact CZ-OE1 2.78Å; R277-E312 VanDerWaalsContact CZ-OE1 3.3Å; R277-E312 IonicContact NH1-OE1 3.33Å; R277-E312 PolarHBondContact NH1-OE1 3.44Å; R277-E312 IonicContact NH2-OE1 2.81Å; R277-E312 PolarHBondContact NH2-OE1 3.06Å; E310-E312 VanDerWaalsContact C-N 3.35Å; E310-E312 PolarHBondContact O-N 2.57Å; E312-S314 CarbonylContact O-C 3.56Å; E312-S314 WeakPolarHBondContact O-CA 3.17Å; E312-S314 PolarHBondContact O-N 3.43Å; E312-S314 PolarHBondContact O-OG 3.42Å
313T48.5Very low65Low160 Ų16093.5 Ų93.598%0.98251%0.514SS*.SBendtrans-471.1-171.434.40000117.8P311P311-T313 PolarHBondContact O-N 3.11Å
314S52.3Low66.2Low80 Ų8092.6 Ų92.656%0.55953%0.529SS*.SBendtrans-87.2115.1164.541.60000112.3E312 G316E312-S314 CarbonylContact O-C 3.56Å; E312-S314 WeakPolarHBondContact O-CA 3.17Å; E312-S314 PolarHBondContact O-N 3.43Å; E312-S314 PolarHBondContact O-OG 3.42Å; S314-G316 PolarHBondContact O-N 3.05Å
315G61.4Low68.3Low96 Ų9684.7 Ų84.799%0.9949%0.493SS*.  trans-65.354.8-175.900000118
316G70.8Confident70.3Confident45 Ų4579 Ų7946%0.46447%0.473SS..  trans-93.8175.7171.700000113.6S314S314-G316 PolarHBondContact O-N 3.05Å
317P81.2Confident72.3Confident39 Ų3969.9 Ų69.925%0.25344%0.441SS..PPolyproline II helixtrans-66.8159.3176.628.8-33.8000111.7C275 L284 A319C275-P317 HydrophobicContact CB-CG 4.17Å; L284-P317 HydrophobicContact CD2-CG 3.97Å; P317-A319 PolarHBondContact O-N 2.98Å
318P84.4Confident74.1Confident53 Ų5370.1 Ų70.134%0.34445%0.445SS..PPolyproline II helixtrans-56.6132.7175.825.2-34.9000110.8D273 C275D273-P318 WeakPolarHBondContact O-CD 3.17Å; C275-P318 PolarHBondContact N-O 3.46Å
319A85.8Confident76.1Confident8 Ų868.6 Ų68.67%0.06643%0.433CS..EExtended strand (participates in β ladder)trans-101.1141.2-177.600000111.7C275 R277 S308 P317C275-A319 HydrophobicContact CB-CB 4.16Å; C275-A319 CarbonylContact O-C 3.59Å; C275-A319 VanDerWaalsContact O-CA 3.27Å; C275-A319 WeakPolarHBondContact O-CA 3.15Å; R277-A319 HydrophobicContact CG-CB 4.39Å; S308-A319 WeakPolarHBondContact CA-O 3.44Å; P317-A319 PolarHBondContact O-N 2.98Å
320V89.1Confident78.2Confident10 Ų1063.4 Ų63.46%0.06141%0.408CS..EExtended strand (participates in β ladder)trans-128.3127.4176.3179.90000108.2C275 F276 R277 L300 L301 L322C275-V320 PolarHBondContact O-N 3.42Å; F276-V320 CarbonylContact C-O 3.52Å; F276-V320 VanDerWaalsContact CA-O 3.32Å; F276-V320 WeakPolarHBondContact CA-O 3.24Å; F276-V320 HydrophobicContact CD1-CB 4.07Å; F276-V320 HydrophobicContact CD1-CG1 4.44Å; F276-V320 HydrophobicContact CE1-CB 4.29Å; R277-V320 PolarHBondContact N-O 2.92Å; L300-V320 HydrophobicContact CD2-CG1 3.94Å; L300-V320 HydrophobicContact CG-CG1 4.36Å; L301-V320 HydrophobicContact CD2-CG2 4.07Å; V320-L322 HydrophobicContact CG1-CD2 4.41Å
321T90.3Very high80.3Confident39 Ų3956.9 Ų56.924%0.23938%0.38CS..EExtended strand (participates in β ladder)trans-91.7123.6-179.1-58.80000110.2R277 H323R277-T321 WeakPolarHBondContact O-CA 3.37Å; T321-H323 VanDerWaalsContact CG2-CE1 3.43Å; T321-H323 WeakPolarHBondContact CG2-CE1 3.35Å
322L91.5Very high82.3Confident7 Ų753.8 Ų53.84%0.03736%0.356CS..EExtended strand (participates in β ladder)trans-99.1123.9174.7-55.5177.3000109.2F276 R277 V278 F297 L300 V320 I325 F330F276-L322 HydrophobicContact CB-CD1 4.11Å; F276-L322 HydrophobicContact CD1-CD1 3.87Å; F276-L322 HydrophobicContact CD1-CD2 4.23Å; F276-L322 HydrophobicContact CD1-CG 4.04Å; F276-L322 HydrophobicContact CG-CD1 4.12Å; R277-L322 PolarHBondContact O-N 3.5Å; V278-L322 HydrophobicContact CG2-CB 4.21Å; V278-L322 HydrophobicContact CG2-CD1 4.25Å; F297-L322 HydrophobicContact CE1-CD1 4.27Å; F297-L322 HydrophobicContact CE1-CD2 4.34Å; F297-L322 HydrophobicContact CZ-CD1 4.45Å; L300-L322 HydrophobicContact CD2-CD2 4.24Å; V320-L322 HydrophobicContact CG1-CD2 4.41Å; L322-I325 HydrophobicContact CB-CG2 3.93Å; L322-F330 HydrophobicContact CD1-CD2 4.02Å; L322-F330 HydrophobicContact CD1-CE2 3.41Å; L322-F330 VanDerWaalsContact CD1-CE2 3.41Å; L322-F330 HydrophobicContact CD1-CZ 3.81Å
323H89.2Confident84.7Confident146 Ų14649.1 Ų49.168%0.67633%0.334SS*.PPolyproline II helixtrans-98.8152.1-179-61.6-61.7000111.8T321 I325T321-H323 VanDerWaalsContact CG2-CE1 3.43Å; T321-H323 WeakPolarHBondContact CG2-CE1 3.35Å; H323-I325 VanDerWaalsContact C-N 3.32Å; H323-I325 PolarHBondContact O-N 2.98Å
324G87.6Confident86.9Confident83 Ų8341.5 Ų41.586%0.85629%0.287SS*.SBendtrans74.716.1173.300000115.3
325I93.5Very high88.9Confident12 Ų1240.3 Ų40.36%0.06227%0.271CS..  trans-129140.4-180-172.2172.8000110.6V278 L322 H323 I329 F330 I355 Y359V278-I325 HydrophobicContact CG1-CG2 3.7Å; V278-I325 VanDerWaalsContact CG1-O 3.24Å; V278-I325 WeakPolarHBondContact CG1-O 3.45Å; V278-I325 HydrophobicContact CG2-CG2 4.35Å; L322-I325 HydrophobicContact CB-CG2 3.93Å; H323-I325 VanDerWaalsContact C-N 3.32Å; H323-I325 PolarHBondContact O-N 2.98Å; I325-I329 HydrophobicContact CD1-CG2 4.14Å; I325-I329 HydrophobicContact CG1-CB 4.11Å; I325-I329 HydrophobicContact CG1-CG2 4.01Å; I325-F330 HydrophobicContact CD1-CB 3.83Å; I325-F330 HydrophobicContact CD1-CD2 3.78Å; I325-F330 HydrophobicContact CD1-CG 4.28Å; I325-F330 HydrophobicContact CG1-CB 4.29Å; I325-I355 HydrophobicContact CB-CD1 4.25Å; I325-I355 HydrophobicContact CD1-CD1 4.17Å; I325-I355 HydrophobicContact CD1-CG1 4.09Å; I325-I355 HydrophobicContact CD1-CG2 3.65Å; I325-I355 HydrophobicContact CG1-CD1 4.18Å; I325-I355 HydrophobicContact CG1-CG1 4.23Å; I325-Y359 HydrophobicContact CD1-CE2 3.86Å
326S93.3Very high90.5Very high40 Ų4036 Ų3628%0.2823%0.225SC..  trans-83.2152.9173.577.30000111D328 I329 F330S326-D328 PolarHBondContact O-N 2.97Å; S326-I329 PolarHBondContact O-N 3.18Å; S326-I329 VanDerWaalsContact OG-CD1 3.28Å; S326-I329 WeakPolarHBondContact OG-CD1 3.45Å; S326-I329 VanDerWaalsContact OG-CG1 3.22Å; S326-I329 WeakPolarHBondContact OG-CG1 3.41Å; S326-I329 PolarHBondContact OG-N 3.2Å; S326-I329 VanDerWaalsContact OG-N 3.15Å; S326-F330 PolarHBondContact O-N 3.22Å
327P93.3Very high91.7Very high22 Ų2233.9 Ų33.914%0.14320%0.203CC..Hα-helixtrans-59.8-33.6175.9-21.632.9000113.1L253 V278 A279 C281 F283 F330 T331L253-P327 HydrophobicContact CD1-CB 3.67Å; L253-P327 HydrophobicContact CD2-CB 4.43Å; V278-P327 HydrophobicContact CG1-CG 4.28Å; A279-P327 HydrophobicContact CB-CG 4.01Å; C281-P327 HydrophobicContact CB-CB 4.46Å; C281-P327 HydrophobicContact CB-CG 4.43Å; F283-P327 HydrophobicContact CE2-CB 4.33Å; F283-P327 HydrophobicContact CZ-CB 4.08Å; P327-F330 PolarHBondContact O-N 3.35Å; P327-T331 PolarHBondContact O-N 3.41Å; P327-T331 PolarHBondContact O-OG1 2.9Å
328D91.3Very high92.4Very high102 Ų10232 Ų3255%0.54519%0.191SC..Hα-helixtrans-66.7-45177.6-55.5-41.4000111.5S326 F330 T331 H332S326-D328 PolarHBondContact O-N 2.97Å; D328-F330 VanDerWaalsContact C-N 3.33Å; D328-F330 PolarHBondContact O-N 2.75Å; D328-T331 VanDerWaalsContact O-CB 3.29Å; D328-T331 WeakPolarHBondContact O-CB 3.32Å; D328-T331 PolarHBondContact O-N 2.94Å; D328-H332 PolarHBondContact O-CD2 3.06Å; D328-H332 PolarHBondContact O-N 3.35Å
329I94.2Very high92.7Very high25 Ų2529.9 Ų29.913%0.12818%0.177CC..Hα-helixtrans-64.4-40.8176.5-66.2161.8000110.5I325 S326 T331 H332 V333 D351 V352 I355I325-I329 HydrophobicContact CD1-CG2 4.14Å; I325-I329 HydrophobicContact CG1-CB 4.11Å; I325-I329 HydrophobicContact CG1-CG2 4.01Å; S326-I329 PolarHBondContact O-N 3.18Å; S326-I329 VanDerWaalsContact OG-CD1 3.28Å; S326-I329 WeakPolarHBondContact OG-CD1 3.45Å; S326-I329 VanDerWaalsContact OG-CG1 3.22Å; S326-I329 WeakPolarHBondContact OG-CG1 3.41Å; S326-I329 PolarHBondContact OG-N 3.2Å; S326-I329 VanDerWaalsContact OG-N 3.15Å; I329-T331 PolarHBondContact O-N 3.47Å; I329-H332 WeakPolarHBondContact O-CB 3.39Å; I329-H332 PolarHBondContact O-N 3.02Å; I329-H332 VanDerWaalsContact O-N 3.17Å; I329-V333 PolarHBondContact O-N 3.01Å; I329-D351 HydrophobicContact CD1-CB 3.62Å; I329-D351 HydrophobicContact CG1-CB 4.15Å; I329-V352 HydrophobicContact CG2-CG2 4.03Å; I329-I355 HydrophobicContact CG2-CB 4.18Å; I329-I355 HydrophobicContact CG2-CG1 3.73Å; I329-I355 HydrophobicContact CG2-CG2 4.46Å
330F95.6Very high93Very high0 Ų030.8 Ų30.80%018%0.181CC..Hα-helixtrans-66.4-29178-167.3-111.4000112.5F276 V278 F283 F290 F297 L322 I325 S326 P327 D328 H332 V333 L334 Y359F276-F330 HydrophobicContact CB-CE1 3.99Å; F276-F330 HydrophobicContact CB-CZ 3.89Å; F276-F330 HydrophobicContact CD2-CE1 4.33Å; F276-F330 AromaticContact CD2-CZ 3.79Å; F276-F330 HydrophobicContact CD2-CZ 3.79Å; F276-F330 HydrophobicContact CG-CE1 4.45Å; F276-F330 AromaticContact CG-CZ 3.92Å; F276-F330 HydrophobicContact CG-CZ 3.92Å; V278-F330 HydrophobicContact CG1-CB 4.47Å; V278-F330 HydrophobicContact CG2-CB 4.27Å; V278-F330 HydrophobicContact CG2-CD1 3.89Å; V278-F330 HydrophobicContact CG2-CD2 4.44Å; V278-F330 HydrophobicContact CG2-CE1 4.33Å; V278-F330 HydrophobicContact CG2-CG 3.94Å; F283-F330 HydrophobicContact CB-CD1 4.38Å; F283-F330 HydrophobicContact CB-CE1 3.87Å; F283-F330 AromaticContact CD1-CD1 3.7Å; F283-F330 HydrophobicContact CD1-CD1 3.7Å; F283-F330 AromaticContact CD1-CE1 3.95Å; F283-F330 HydrophobicContact CD1-CE1 3.95Å; F283-F330 AromaticContact CD2-CD1 3.78Å; F283-F330 HydrophobicContact CD2-CD1 3.78Å; F283-F330 HydrophobicContact CD2-CE1 4.06Å; F283-F330 AromaticContact CE1-CD1 3.8Å; F283-F330 HydrophobicContact CE1-CD1 3.8Å; F283-F330 HydrophobicContact CE1-CE1 4.5Å; F283-F330 AromaticContact CE2-CD1 3.92Å; F283-F330 HydrophobicContact CE2-CD1 3.92Å; F283-F330 AromaticContact CG-CD1 3.68Å; F283-F330 HydrophobicContact CG-CD1 3.68Å; F283-F330 AromaticContact CG-CE1 3.69Å; F283-F330 HydrophobicContact CG-CE1 3.69Å; F283-F330 AromaticContact CZ-CD1 3.91Å; F283-F330 HydrophobicContact CZ-CD1 3.91Å; F290-F330 HydrophobicContact CE1-CE2 4.33Å; F290-F330 AromaticContact CE1-CZ 3.97Å; F290-F330 HydrophobicContact CE1-CZ 3.97Å; F290-F330 HydrophobicContact CZ-CZ 4.12Å; F297-F330 HydrophobicContact CZ-CE2 4.36Å; L322-F330 HydrophobicContact CD1-CD2 4.02Å; L322-F330 HydrophobicContact CD1-CE2 3.41Å; L322-F330 VanDerWaalsContact CD1-CE2 3.41Å; L322-F330 HydrophobicContact CD1-CZ 3.81Å; I325-F330 HydrophobicContact CD1-CB 3.83Å; I325-F330 HydrophobicContact CD1-CD2 3.78Å; I325-F330 HydrophobicContact CD1-CG 4.28Å; I325-F330 HydrophobicContact CG1-CB 4.29Å; S326-F330 PolarHBondContact O-N 3.22Å; P327-F330 PolarHBondContact O-N 3.35Å; D328-F330 VanDerWaalsContact C-N 3.33Å; D328-F330 PolarHBondContact O-N 2.75Å; F330-H332 VanDerWaalsContact C-N 3.31Å; F330-H332 PolarHBondContact O-N 3Å; F330-V333 HydrophobicContact CD2-CB 4.24Å; F330-V333 HydrophobicContact CD2-CG1 4.43Å; F330-V333 HydrophobicContact CE2-CG1 4.31Å; F330-V333 WeakPolarHBondContact O-CB 3.47Å; F330-V333 PolarHBondContact O-N 3.34Å; F330-L334 WeakPolarHBondContact O-CB 3.4Å; F330-L334 PolarHBondContact O-N 3.39Å; F330-Y359 HydrophobicContact CD2-CE2 4.41Å; F330-Y359 HydrophobicContact CE2-CE2 4.43Å
331T94.1Very high93Very high25 Ų2534.9 Ų34.915%0.15320%0.199CC..Hα-helixtrans-59.1-41.3171.9-61.70000111.6L249 P327 D328 I329 V333 L334 Y335L249-T331 HydrophobicContact CD2-CG2 3.9Å; P327-T331 PolarHBondContact O-N 3.41Å; P327-T331 PolarHBondContact O-OG1 2.9Å; D328-T331 VanDerWaalsContact O-CB 3.29Å; D328-T331 WeakPolarHBondContact O-CB 3.32Å; D328-T331 PolarHBondContact O-N 2.94Å; I329-T331 PolarHBondContact O-N 3.47Å; T331-V333 PolarHBondContact O-N 3.29Å; T331-L334 WeakPolarHBondContact O-CB 3.35Å; T331-L334 PolarHBondContact O-N 2.84Å; T331-Y335 HydrophobicContact CG2-CD2 3.7Å; T331-Y335 HydrophobicContact CG2-CE2 3.57Å; T331-Y335 VanDerWaalsContact O-CD2 3.28Å; T331-Y335 WeakPolarHBondContact O-CD2 3.47Å; T331-Y335 PolarHBondContact O-N 2.93Å
332H95.1Very high93Very high39 Ų3933.6 Ų33.618%0.18119%0.191CC..Hα-helixtrans-64.2-39.9174.8-66-67.5000112.9D328 I329 F330 L334 Y336 T342 E343 L344 V352D328-H332 PolarHBondContact O-CD2 3.06Å; D328-H332 PolarHBondContact O-N 3.35Å; I329-H332 WeakPolarHBondContact O-CB 3.39Å; I329-H332 PolarHBondContact O-N 3.02Å; I329-H332 VanDerWaalsContact O-N 3.17Å; F330-H332 VanDerWaalsContact C-N 3.31Å; F330-H332 PolarHBondContact O-N 3Å; H332-L334 VanDerWaalsContact C-N 3.32Å; H332-L334 PolarHBondContact O-N 2.97Å; H332-Y336 WeakPolarHBondContact O-CB 3.19Å; H332-Y336 PolarHBondContact O-N 3.09Å; H332-T342 WeakPolarHBondContact CA-OG1 3.46Å; H332-T342 HydrophobicContact CB-CG2 4.38Å; H332-T342 PolarHBondContact ND1-OG1 3.37Å; H332-E343 PolarHBondContact CE1-O 3.37Å; H332-E343 PolarHBondContact ND1-O 3.13Å; H332-L344 HydrophobicContact CB-CD2 4Å; H332-V352 HydrophobicContact CB-CG1 4.22Å; H332-V352 HydrophobicContact CB-CG2 3.99Å
333V96.2Very high92.8Very high0 Ų040.3 Ų40.30%022%0.222CC..Hα-helixtrans-60.9-44.1173.8175.50000110.5I329 F330 T331 Y336 V337 I355 Y359 L361 L364I329-V333 PolarHBondContact O-N 3.01Å; F330-V333 HydrophobicContact CD2-CB 4.24Å; F330-V333 HydrophobicContact CD2-CG1 4.43Å; F330-V333 HydrophobicContact CE2-CG1 4.31Å; F330-V333 WeakPolarHBondContact O-CB 3.47Å; F330-V333 PolarHBondContact O-N 3.34Å; T331-V333 PolarHBondContact O-N 3.29Å; V333-Y336 PolarHBondContact O-N 2.77Å; V333-V337 HydrophobicContact CG1-CG2 4.25Å; V333-V337 WeakPolarHBondContact O-CB 3.49Å; V333-V337 VanDerWaalsContact O-CG2 3.26Å; V333-V337 WeakPolarHBondContact O-CG2 3.26Å; V333-V337 PolarHBondContact O-N 3.35Å; V333-I355 HydrophobicContact CG2-CG2 3.77Å; V333-Y359 HydrophobicContact CG1-CD2 4.31Å; V333-Y359 HydrophobicContact CG2-CD2 4.43Å; V333-L361 HydrophobicContact CG1-CD1 3.73Å; V333-L364 HydrophobicContact CG2-CD2 3.98Å
334L95.1Very high92.8Very high0 Ų034.6 Ų34.60%020%0.197CC..Hα-helixtrans-59.3-54.7-179.6-171.972.7000111.7A245 A248 L249 F283 C285 F290 F330 T331 H332 Y336 V337 Y338A245-L334 HydrophobicContact CB-CD2 4.28Å; A245-L334 HydrophobicContact CB-CG 4.05Å; A245-L334 WeakPolarHBondContact O-CD2 3.48Å; A248-L334 HydrophobicContact CB-CD1 3.9Å; A248-L334 HydrophobicContact CB-CD2 4.01Å; A248-L334 HydrophobicContact CB-CG 4.41Å; L249-L334 HydrophobicContact CD2-CD2 3.79Å; L249-L334 HydrophobicContact CG-CD2 4.01Å; F283-L334 HydrophobicContact CD1-CD2 4.09Å; F283-L334 HydrophobicContact CE1-CD2 4.49Å; C285-L334 WeakPolarHBondContact SG-CD1 3.37Å; F290-L334 HydrophobicContact CE2-CD1 4.2Å; F290-L334 HydrophobicContact CZ-CD1 3.94Å; F330-L334 WeakPolarHBondContact O-CB 3.4Å; F330-L334 PolarHBondContact O-N 3.39Å; T331-L334 WeakPolarHBondContact O-CB 3.35Å; T331-L334 PolarHBondContact O-N 2.84Å; H332-L334 VanDerWaalsContact C-N 3.32Å; H332-L334 PolarHBondContact O-N 2.97Å; L334-Y336 VanDerWaalsContact C-N 3.32Å; L334-Y336 PolarHBondContact O-N 3.43Å; L334-V337 PolarHBondContact O-N 3.3Å; L334-Y338 HydrophobicContact CD1-CD2 4.06Å; L334-Y338 HydrophobicContact CD1-CE2 3.57Å; L334-Y338 HydrophobicContact CG-CD2 4.2Å; L334-Y338 HydrophobicContact CG-CE2 4.17Å; L334-Y338 VanDerWaalsContact O-CD2 3.28Å; L334-Y338 WeakPolarHBondContact O-CD2 3.48Å; L334-Y338 PolarHBondContact O-N 2.88Å
335Y94.4Very high92.8Very high55 Ų5533.5 Ų33.522%0.21618%0.176CC..Hα-helixtrans-59.3-44.1178.1-81.8-75000111.1A245 D246 L249 T331 V337 Y338 S339 H341A245-Y335 HydrophobicContact CB-CD1 3.63Å; A245-Y335 HydrophobicContact CB-CE1 3.74Å; A245-Y335 HydrophobicContact CB-CG 4.1Å; D246-Y335 WeakPolarHBondContact OD1-CE1 3.23Å; D246-Y335 PolarHBondContact OD1-OH 3.21Å; L249-Y335 HydrophobicContact CD1-CE2 4.25Å; L249-Y335 WeakPolarHBondContact CD1-OH 3.44Å; T331-Y335 HydrophobicContact CG2-CD2 3.7Å; T331-Y335 HydrophobicContact CG2-CE2 3.57Å; T331-Y335 VanDerWaalsContact O-CD2 3.28Å; T331-Y335 WeakPolarHBondContact O-CD2 3.47Å; T331-Y335 PolarHBondContact O-N 2.93Å; Y335-V337 VanDerWaalsContact C-N 3.35Å; Y335-V337 PolarHBondContact O-N 2.99Å; Y335-Y338 PolarHBondContact O-N 2.95Å; Y335-S339 PolarHBondContact O-N 3.35Å; Y335-S339 PolarHBondContact O-OG 3.49Å; Y335-H341 CarbonylContact C-O 3.53Å; Y335-H341 WeakPolarHBondContact CB-O 3.33Å
336Y95.2Very high92.3Very high7 Ų735.5 Ų35.53%0.02719%0.189CC..Hα-helixtrans-59.7-42.8176.6170.9-100.9000113.2R293 H332 V333 L334 Y338 D340 H341 L361 G363 L364 L367R293-Y336 VanDerWaalsContact NH2-CE2 3.31Å; R293-Y336 PolarHBondContact NH2-O 3.24Å; R293-Y336 PolarHBondContact NH2-OH 3.09Å; H332-Y336 WeakPolarHBondContact O-CB 3.19Å; H332-Y336 PolarHBondContact O-N 3.09Å; V333-Y336 PolarHBondContact O-N 2.77Å; L334-Y336 VanDerWaalsContact C-N 3.32Å; L334-Y336 PolarHBondContact O-N 3.43Å; Y336-Y338 VanDerWaalsContact C-N 3.32Å; Y336-Y338 PolarHBondContact O-N 3.26Å; Y336-D340 VanDerWaalsContact CE2-OD1 3.28Å; Y336-D340 WeakPolarHBondContact CE2-OD1 3.39Å; Y336-D340 VanDerWaalsContact O-CA 3.28Å; Y336-D340 WeakPolarHBondContact O-CA 3.42Å; Y336-D340 PolarHBondContact O-N 2.86Å; Y336-H341 WeakPolarHBondContact CA-O 3.24Å; Y336-H341 PolarHBondContact N-O 2.94Å; Y336-L361 HydrophobicContact CD1-CB 4.48Å; Y336-L361 HydrophobicContact CD1-CD1 4.42Å; Y336-L361 HydrophobicContact CD1-CD2 4.27Å; Y336-L361 HydrophobicContact CE1-CB 4.02Å; Y336-L361 HydrophobicContact CE1-CD2 3.89Å; Y336-L361 HydrophobicContact CE1-CG 4.4Å; Y336-G363 WeakPolarHBondContact OH-CA 3.25Å; Y336-G363 PolarHBondContact OH-N 3.12Å; Y336-L364 HydrophobicContact CD1-CB 3.66Å; Y336-L364 HydrophobicContact CD1-CD2 4.22Å; Y336-L364 HydrophobicContact CD1-CG 4.38Å; Y336-L364 HydrophobicContact CD2-CB 4.03Å; Y336-L364 HydrophobicContact CD2-CD1 4.25Å; Y336-L364 HydrophobicContact CE1-CB 3.8Å; Y336-L364 HydrophobicContact CE2-CB 4.18Å; Y336-L364 HydrophobicContact CG-CB 3.77Å; Y336-L364 HydrophobicContact CG-CD1 3.98Å; Y336-L364 HydrophobicContact CG-CD2 4.33Å; Y336-L364 HydrophobicContact CG-CG 4.24Å; Y336-L364 PolarHBondContact OH-N 2.91Å; Y336-L367 HydrophobicContact CD2-CD1 3.67Å; Y336-L367 HydrophobicContact CE2-CD1 4.13Å
337V95.9Very high92Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-62.8-40.6-178.7165.20000111F289 F290 R293 V333 L334 Y335 L361F289-V337 HydrophobicContact CB-CG1 3.79Å; F290-V337 HydrophobicContact CD2-CG1 3.88Å; F290-V337 HydrophobicContact CE1-CG2 4.31Å; F290-V337 HydrophobicContact CE2-CG1 3.93Å; F290-V337 HydrophobicContact CG-CG1 4.2Å; F290-V337 HydrophobicContact CZ-CG1 4.31Å; R293-V337 PolarHBondContact NE-O 3.46Å; V333-V337 HydrophobicContact CG1-CG2 4.25Å; V333-V337 WeakPolarHBondContact O-CB 3.49Å; V333-V337 VanDerWaalsContact O-CG2 3.26Å; V333-V337 WeakPolarHBondContact O-CG2 3.26Å; V333-V337 PolarHBondContact O-N 3.35Å; L334-V337 PolarHBondContact O-N 3.3Å; Y335-V337 VanDerWaalsContact C-N 3.35Å; Y335-V337 PolarHBondContact O-N 2.99Å; V337-L361 HydrophobicContact CG2-CD2 4.29Å
338Y95.3Very high91.9Very high0 Ų041.4 Ų41.40%021%0.214CC..Hα-helixtrans-89.7-25.2-177.9-72.1-71000115.7Y101 M241 L244 A245 A248 C285 H286 F289 F290 L334 Y335 Y336Y101-Y338 VanDerWaalsContact CZ-O 3.31Å; Y101-Y338 PolarHBondContact OH-O 2.9Å; M241-Y338 WeakPolarHBondContact CB-O 3.31Å; L244-Y338 HydrophobicContact CB-CD1 3.48Å; L244-Y338 VanDerWaalsContact CB-CD1 3.48Å; L244-Y338 HydrophobicContact CB-CE1 3.64Å; L244-Y338 HydrophobicContact CB-CG 3.97Å; L244-Y338 HydrophobicContact CD1-CD1 3.86Å; L244-Y338 HydrophobicContact CD1-CE1 4.02Å; L244-Y338 HydrophobicContact CG-CD1 4.32Å; L244-Y338 HydrophobicContact CG-CE1 4.48Å; A245-Y338 HydrophobicContact CB-CD2 3.85Å; A245-Y338 HydrophobicContact CB-CG 4.4Å; A248-Y338 HydrophobicContact CB-CE2 4.41Å; C285-Y338 WeakPolarHBondContact CA-OH 3.47Å; H286-Y338 HydrophobicContact CB-CE1 4.4Å; H286-Y338 PolarHBondContact N-OH 3.34Å; H286-Y338 AromaticContact ND1-CE1 3.43Å; H286-Y338 WeakPolarHBondContact ND1-CE1 3.39Å; H286-Y338 AromaticContact ND1-CZ 3.44Å; H286-Y338 PolarHBondContact ND1-OH 3.22Å; F289-Y338 HydrophobicContact CB-CD1 4.17Å; F289-Y338 HydrophobicContact CB-CE1 3.85Å; F289-Y338 AromaticContact CD1-CD1 3.53Å; F289-Y338 HydrophobicContact CD1-CD1 3.53Å; F289-Y338 AromaticContact CD1-CE1 3.99Å; F289-Y338 HydrophobicContact CD1-CE1 3.99Å; F289-Y338 HydrophobicContact CD1-CG 4.39Å; F289-Y338 HydrophobicContact CD2-CD1 4.01Å; F289-Y338 AromaticContact CD2-CE1 3.68Å; F289-Y338 HydrophobicContact CD2-CE1 3.68Å; F289-Y338 AromaticContact CE1-CD1 3.81Å; F289-Y338 HydrophobicContact CE1-CD1 3.81Å; F289-Y338 HydrophobicContact CE1-CE1 4.46Å; F289-Y338 HydrophobicContact CE2-CD1 4.26Å; F289-Y338 HydrophobicContact CE2-CE1 4.2Å; F289-Y338 AromaticContact CG-CD1 3.63Å; F289-Y338 HydrophobicContact CG-CD1 3.63Å; F289-Y338 AromaticContact CG-CE1 3.56Å; F289-Y338 HydrophobicContact CG-CE1 3.56Å; F289-Y338 HydrophobicContact CZ-CD1 4.17Å; F290-Y338 HydrophobicContact CE2-CE2 4.11Å; L334-Y338 HydrophobicContact CD1-CD2 4.06Å; L334-Y338 HydrophobicContact CD1-CE2 3.57Å; L334-Y338 HydrophobicContact CG-CD2 4.2Å; L334-Y338 HydrophobicContact CG-CE2 4.17Å; L334-Y338 VanDerWaalsContact O-CD2 3.28Å; L334-Y338 WeakPolarHBondContact O-CD2 3.48Å; L334-Y338 PolarHBondContact O-N 2.88Å; Y335-Y338 PolarHBondContact O-N 2.95Å; Y336-Y338 VanDerWaalsContact C-N 3.32Å; Y336-Y338 PolarHBondContact O-N 3.26Å
339S91.8Very high92Very high7 Ų736.6 Ų36.65%0.04919%0.188CC..Hα-helixtrans-126.6-1.7-173.673.90000114.1R238 Y335 H341R238-S339 WeakPolarHBondContact CD-O 3.16Å; R238-S339 WeakPolarHBondContact CG-O 3.03Å; R238-S339 WeakPolarHBondContact O-CB 3.27Å; Y335-S339 PolarHBondContact O-N 3.35Å; Y335-S339 PolarHBondContact O-OG 3.49Å; S339-H341 PolarHBondContact O-N 2.84Å; S339-H341 VanDerWaalsContact O-N 3.14Å; S339-H341 PolarHBondContact OG-N 3.12Å; S339-H341 PolarHBondContact OG-O 3.35Å; S339-H341 VanDerWaalsContact OG-O 3.06Å
340D90.4Very high92Very high27 Ų2739.6 Ų39.614%0.14420%0.199CC..SBendtrans5620.9-169.5-157.955.2000113.2Y101 R293 Y336Y101-D340 HydrophobicContact CD1-CB 3.98Å; Y101-D340 HydrophobicContact CD2-CB 3.83Å; Y101-D340 HydrophobicContact CG-CB 3.53Å; R293-D340 IonicContact CZ-OD1 3.89Å; R293-D340 IonicContact NH1-OD1 3.25Å; R293-D340 PolarHBondContact NH1-OD1 3.04Å; R293-D340 IonicContact NH2-OD1 2.71Å; R293-D340 PolarHBondContact NH2-OD1 3.37Å; Y336-D340 VanDerWaalsContact CE2-OD1 3.28Å; Y336-D340 WeakPolarHBondContact CE2-OD1 3.39Å; Y336-D340 VanDerWaalsContact O-CA 3.28Å; Y336-D340 WeakPolarHBondContact O-CA 3.42Å; Y336-D340 PolarHBondContact O-N 2.86Å
341H88.9Confident92Very high97 Ų9743.9 Ų43.945%0.44922%0.222SC..  trans-142.1148.2-178.6-174.461.1000111Y335 Y336 S339Y335-H341 CarbonylContact C-O 3.53Å; Y335-H341 WeakPolarHBondContact CB-O 3.33Å; Y336-H341 WeakPolarHBondContact CA-O 3.24Å; Y336-H341 PolarHBondContact N-O 2.94Å; S339-H341 PolarHBondContact O-N 2.84Å; S339-H341 VanDerWaalsContact O-N 3.14Å; S339-H341 PolarHBondContact OG-N 3.12Å; S339-H341 PolarHBondContact OG-O 3.35Å; S339-H341 VanDerWaalsContact OG-O 3.06Å
342T90.6Very high92.1Very high11 Ų1142.7 Ų42.77%0.06721%0.214CC..  trans-158.1140.4168.2-177.90000108H332 L344 L364 L367H332-T342 WeakPolarHBondContact CA-OG1 3.46Å; H332-T342 HydrophobicContact CB-CG2 4.38Å; H332-T342 PolarHBondContact ND1-OG1 3.37Å; T342-L344 HydrophobicContact CG2-CD1 4.05Å; T342-L344 HydrophobicContact CG2-CD2 4.19Å; T342-L344 HydrophobicContact CG2-CG 3.93Å; T342-L364 HydrophobicContact CG2-CD1 3.6Å; T342-L367 HydrophobicContact CG2-CD1 4.19Å
343E87.3Confident92.1Very high148 Ų14840.8 Ų40.869%0.69221%0.206SC*.  trans-80.7126.4173.9-62.7-174.5172.200108.5H332H332-E343 PolarHBondContact CE1-O 3.37Å; H332-E343 PolarHBondContact ND1-O 3.13Å
344L89.3Confident92.1Very high27 Ų2743.4 Ų43.414%0.14122%0.224CC..  trans-125.5122.8-174.9-69168.9000110H332 T342 V352 L367 S371H332-L344 HydrophobicContact CB-CD2 4Å; T342-L344 HydrophobicContact CG2-CD1 4.05Å; T342-L344 HydrophobicContact CG2-CD2 4.19Å; T342-L344 HydrophobicContact CG2-CG 3.93Å; L344-V352 HydrophobicContact CD2-CB 4.1Å; L344-V352 HydrophobicContact CD2-CG1 3.99Å; L344-V352 HydrophobicContact CD2-CG2 3.8Å; L344-L367 HydrophobicContact CD1-CB 4.32Å; L344-S371 PolarHBondContact O-OG 2.83Å
345S88.6Confident92.2Very high59 Ų5944.1 Ų44.141%0.41323%0.227SC..  trans-69.9151.9163.171.40000109.9E347 A348 A349S345-E347 PolarHBondContact O-N 3.45Å; S345-A348 PolarHBondContact O-N 2.9Å; S345-A348 VanDerWaalsContact OG-CB 3.32Å; S345-A348 WeakPolarHBondContact OG-CB 3.47Å; S345-A348 PolarHBondContact OG-N 3.5Å; S345-A349 PolarHBondContact O-N 3.45Å
346P83.4Confident92.2Very high54 Ų5441.5 Ų41.535%0.35122%0.217SC..Hα-helixtrans-58.5-33.9177-25.934.7000113.5A349 V375P346-A349 WeakPolarHBondContact O-CB 3.4Å; P346-A349 PolarHBondContact O-N 3.27Å; P346-V375 HydrophobicContact CB-CG1 4.44Å; P346-V375 HydrophobicContact CB-CG2 4.02Å; P346-V375 HydrophobicContact CG-CG1 3.75Å; P346-V375 HydrophobicContact CG-CG2 4.22Å
347E86.1Confident92.1Very high168 Ų16844.3 Ų44.379%0.78523%0.233SC*.Hα-helixtrans-67.2-47.9178.1-63.1178-176.700110.9S345 A349S345-E347 PolarHBondContact O-N 3.45Å; E347-A349 PolarHBondContact O-N 2.94Å
348A91.5Very high92Very high19 Ų1948.6 Ų48.616%0.15725%0.254CS..Hα-helixtrans-68.5-23.6177.600000112.6S345 Y350 D351 V352S345-A348 PolarHBondContact O-N 2.9Å; S345-A348 VanDerWaalsContact OG-CB 3.32Å; S345-A348 WeakPolarHBondContact OG-CB 3.47Å; S345-A348 PolarHBondContact OG-N 3.5Å; A348-Y350 VanDerWaalsContact C-N 3.27Å; A348-Y350 PolarHBondContact O-N 3.19Å; A348-D351 PolarHBondContact O-N 3.23Å; A348-V352 WeakPolarHBondContact O-CB 3.45Å; A348-V352 WeakPolarHBondContact O-CG2 3.45Å; A348-V352 PolarHBondContact O-N 2.87Å
349A93.8Very high92Very high0 Ų048.7 Ų48.70%025%0.254CS..Hα-helixtrans-60-33.7-17500000113.2S345 P346 E347 L353 L372S345-A349 PolarHBondContact O-N 3.45Å; P346-A349 WeakPolarHBondContact O-CB 3.4Å; P346-A349 PolarHBondContact O-N 3.27Å; E347-A349 PolarHBondContact O-N 2.94Å; A349-L353 WeakPolarHBondContact O-CB 3.43Å; A349-L353 PolarHBondContact O-N 2.9Å; A349-L372 HydrophobicContact CB-CD2 3.87Å; A349-L372 HydrophobicContact CB-CG 4.03Å
350Y94Very high91.8Very high88 Ų8852.7 Ų52.735%0.34528%0.275SS..Hα-helixtrans-70.1-44.9178-67.9-73.8000112.7A348 L353 S354 L372 V384 V387A348-Y350 VanDerWaalsContact C-N 3.27Å; A348-Y350 PolarHBondContact O-N 3.19Å; Y350-L353 PolarHBondContact O-N 2.93Å; Y350-S354 PolarHBondContact O-N 3.37Å; Y350-S354 VanDerWaalsContact O-N 3.12Å; Y350-S354 PolarHBondContact O-OG 2.85Å; Y350-L372 HydrophobicContact CD1-CD1 4.41Å; Y350-L372 HydrophobicContact CD1-CD2 4.41Å; Y350-L372 HydrophobicContact CD2-CD2 4.26Å; Y350-L372 HydrophobicContact CE1-CD1 4.13Å; Y350-L372 HydrophobicContact CE1-CD2 3.92Å; Y350-L372 HydrophobicContact CE2-CD2 3.76Å; Y350-V384 WeakPolarHBondContact OH-CG2 3.22Å; Y350-V387 HydrophobicContact CD1-CG1 4.22Å; Y350-V387 HydrophobicContact CD1-CG2 4.37Å; Y350-V387 HydrophobicContact CE1-CB 4.49Å; Y350-V387 HydrophobicContact CE1-CG1 4.23Å; Y350-V387 HydrophobicContact CE1-CG2 4.05Å
351D94.8Very high91.8Very high90 Ų9051.4 Ų51.448%0.48127%0.268SS..Hα-helixtrans-68.4-44.7178.8-67.7-26.3000110.7I329 A348 L353 S354 I355I329-D351 HydrophobicContact CD1-CB 3.62Å; I329-D351 HydrophobicContact CG1-CB 4.15Å; A348-D351 PolarHBondContact O-N 3.23Å; D351-L353 VanDerWaalsContact C-N 3.31Å; D351-L353 PolarHBondContact O-N 3.35Å; D351-S354 WeakPolarHBondContact O-CB 3.29Å; D351-S354 PolarHBondContact O-N 3.16Å; D351-I355 WeakPolarHBondContact O-CG1 3.13Å; D351-I355 PolarHBondContact O-N 2.59Å; D351-I355 VanDerWaalsContact O-N 3.1Å
352V96.6Very high91.6Very high0 Ų048.3 Ų48.30%026%0.256CS..Hα-helixtrans-63.4-37.3175.61790000110.8I329 H332 L344 A348 S354 I355 A356 L364I329-V352 HydrophobicContact CG2-CG2 4.03Å; H332-V352 HydrophobicContact CB-CG1 4.22Å; H332-V352 HydrophobicContact CB-CG2 3.99Å; L344-V352 HydrophobicContact CD2-CB 4.1Å; L344-V352 HydrophobicContact CD2-CG1 3.99Å; L344-V352 HydrophobicContact CD2-CG2 3.8Å; A348-V352 WeakPolarHBondContact O-CB 3.45Å; A348-V352 WeakPolarHBondContact O-CG2 3.45Å; A348-V352 PolarHBondContact O-N 2.87Å; V352-S354 VanDerWaalsContact C-N 3.34Å; V352-S354 PolarHBondContact O-N 3.31Å; V352-I355 PolarHBondContact O-N 2.86Å; V352-A356 WeakPolarHBondContact O-CB 3.43Å; V352-A356 PolarHBondContact O-N 3.16Å; V352-L364 HydrophobicContact CG1-CD1 3.95Å; V352-L364 HydrophobicContact CG1-CD2 3.93Å; V352-L364 HydrophobicContact CG1-CG 3.99Å
353L95.9Very high91.4Very high0 Ų048 Ų480%026%0.255CS..Hα-helixtrans-61.6-42.8176.3176.559.4000111.7A349 Y350 D351 A356 D357 K365 C368 L372 V387 F391 L393A349-L353 WeakPolarHBondContact O-CB 3.43Å; A349-L353 PolarHBondContact O-N 2.9Å; Y350-L353 PolarHBondContact O-N 2.93Å; D351-L353 VanDerWaalsContact C-N 3.31Å; D351-L353 PolarHBondContact O-N 3.35Å; L353-A356 PolarHBondContact O-N 2.81Å; L353-D357 PolarHBondContact O-N 3.35Å; L353-K365 HydrophobicContact CD1-CB 3.91Å; L353-K365 HydrophobicContact CD1-CG 4.01Å; L353-C368 HydrophobicContact CB-CB 3.91Å; L353-C368 HydrophobicContact CD1-CB 4.13Å; L353-L372 HydrophobicContact CD2-CD1 4.39Å; L353-V387 HydrophobicContact CD2-CG1 3.6Å; L353-F391 HydrophobicContact CD1-CB 4.2Å; L353-F391 HydrophobicContact CD1-CD1 4.4Å; L353-F391 HydrophobicContact CD1-CG 4.16Å; L353-F391 HydrophobicContact CD2-CB 4.24Å; L353-F391 HydrophobicContact CD2-CD2 3.51Å; L353-F391 HydrophobicContact CD2-CE2 3.96Å; L353-F391 HydrophobicContact CD2-CG 3.89Å; L353-F391 HydrophobicContact CG-CB 4.34Å; L353-F391 HydrophobicContact CG-CD1 4.12Å; L353-F391 HydrophobicContact CG-CD2 3.83Å; L353-F391 HydrophobicContact CG-CE1 4.37Å; L353-F391 HydrophobicContact CG-CE2 4.1Å; L353-F391 HydrophobicContact CG-CG 3.83Å; L353-F391 HydrophobicContact CG-CZ 4.36Å; L353-L393 HydrophobicContact CD1-CD1 3.91Å; L353-L393 HydrophobicContact CD2-CD1 4.02Å
354S95.5Very high91.6Very high55 Ų5540.9 Ų40.939%0.38522%0.222SC..Hα-helixtrans-62.3-45177.9-57.80000111.4Y350 D351 V352 D357 M358Y350-S354 PolarHBondContact O-N 3.37Å; Y350-S354 VanDerWaalsContact O-N 3.12Å; Y350-S354 PolarHBondContact O-OG 2.85Å; D351-S354 WeakPolarHBondContact O-CB 3.29Å; D351-S354 PolarHBondContact O-N 3.16Å; V352-S354 VanDerWaalsContact C-N 3.34Å; V352-S354 PolarHBondContact O-N 3.31Å; S354-D357 PolarHBondContact O-N 3.07Å; S354-M358 PolarHBondContact O-N 3.46Å; S354-M358 VanDerWaalsContact O-N 3.08Å
355I96.5Very high91.6Very high14 Ų1441 Ų417%0.07222%0.221CC..Hα-helixtrans-68.1-39.1176.2-65.2-56.5000112I325 I329 V333 D351 V352 D357 M358 Y359I325-I355 HydrophobicContact CB-CD1 4.25Å; I325-I355 HydrophobicContact CD1-CD1 4.17Å; I325-I355 HydrophobicContact CD1-CG1 4.09Å; I325-I355 HydrophobicContact CD1-CG2 3.65Å; I325-I355 HydrophobicContact CG1-CD1 4.18Å; I325-I355 HydrophobicContact CG1-CG1 4.23Å; I329-I355 HydrophobicContact CG2-CB 4.18Å; I329-I355 HydrophobicContact CG2-CG1 3.73Å; I329-I355 HydrophobicContact CG2-CG2 4.46Å; V333-I355 HydrophobicContact CG2-CG2 3.77Å; D351-I355 WeakPolarHBondContact O-CG1 3.13Å; D351-I355 PolarHBondContact O-N 2.59Å; D351-I355 VanDerWaalsContact O-N 3.1Å; V352-I355 PolarHBondContact O-N 2.86Å; I355-D357 VanDerWaalsContact C-N 3.29Å; I355-D357 PolarHBondContact O-N 3.18Å; I355-M358 HydrophobicContact CD1-CE 3.49Å; I355-M358 VanDerWaalsContact CD1-CE 3.49Å; I355-M358 PolarHBondContact O-N 2.97Å; I355-Y359 HydrophobicContact CG2-CD2 3.44Å; I355-Y359 VanDerWaalsContact CG2-CD2 3.44Å; I355-Y359 HydrophobicContact CG2-CE2 3.43Å; I355-Y359 VanDerWaalsContact CG2-CE2 3.43Å; I355-Y359 HydrophobicContact CG2-CG 4.25Å; I355-Y359 WeakPolarHBondContact O-CB 3.34Å; I355-Y359 PolarHBondContact O-N 2.99Å
356A95.4Very high91.5Very high0 Ų041.2 Ų41.20%021%0.213CC..Hα-helixtrans-63.2-36.5178.600000111.9V352 L353 L360 L361 L364 K365V352-A356 WeakPolarHBondContact O-CB 3.43Å; V352-A356 PolarHBondContact O-N 3.16Å; L353-A356 PolarHBondContact O-N 2.81Å; A356-L360 PolarHBondContact O-N 3.28Å; A356-L361 HydrophobicContact CB-CB 4.46Å; A356-L361 PolarHBondContact O-N 3.39Å; A356-L364 HydrophobicContact CB-CB 3.87Å; A356-L364 HydrophobicContact CB-CD2 3.8Å; A356-L364 HydrophobicContact CB-CG 3.68Å; A356-K365 HydrophobicContact CB-CG 3.63Å
357D92.8Very high91.8Very high66 Ų6640.2 Ų40.235%0.35320%0.204SC..Hα-helixtrans-68.2-47.4171.8-166.267.1000111.9L353 S354 I355 Y359 L360 K365 F391L353-D357 PolarHBondContact O-N 3.35Å; S354-D357 PolarHBondContact O-N 3.07Å; I355-D357 VanDerWaalsContact C-N 3.29Å; I355-D357 PolarHBondContact O-N 3.18Å; D357-Y359 VanDerWaalsContact C-N 3.33Å; D357-Y359 PolarHBondContact O-N 3.4Å; D357-L360 PolarHBondContact O-N 3.32Å; D357-K365 HydrophobicContact CB-CD 4.11Å; D357-K365 WeakPolarHBondContact OD1-CE 3.36Å; D357-K365 IonicContact OD1-NZ 3.67Å; D357-K365 PolarHBondContact OD1-NZ 3.47Å; D357-F391 HydrophobicContact CB-CD1 3.7Å; D357-F391 HydrophobicContact CB-CE1 3.82Å
358M93.6Very high92.2Very high90 Ų9032.2 Ų32.244%0.44317%0.167SC..Hα-helixtrans-58.5-42.4178.3-176.4173.874.700112.7S354 I355 L360S354-M358 PolarHBondContact O-N 3.46Å; S354-M358 VanDerWaalsContact O-N 3.08Å; I355-M358 HydrophobicContact CD1-CE 3.49Å; I355-M358 VanDerWaalsContact CD1-CE 3.49Å; I355-M358 PolarHBondContact O-N 2.97Å; M358-L360 VanDerWaalsContact C-N 3.28Å; M358-L360 PolarHBondContact O-N 3.11Å
359Y94.4Very high92.2Very high2 Ų231.5 Ų31.51%0.00816%0.161CC..THydrogen-bonded Turntrans-87.28.5178.7-64.9-19.7000113.8S294 Y296 F297 I325 F330 V333 I355 D357 L361S294-Y359 PolarHBondContact OG-O 3.43Å; Y296-Y359 AromaticContact CD1-CD1 3.5Å; Y296-Y359 HydrophobicContact CD1-CD1 3.5Å; Y296-Y359 HydrophobicContact CD1-CE1 4.12Å; Y296-Y359 HydrophobicContact CD1-CG 4.19Å; Y296-Y359 AromaticContact CE1-CD1 3.43Å; Y296-Y359 HydrophobicContact CE1-CD1 3.43Å; Y296-Y359 VanDerWaalsContact CE1-CD1 3.43Å; Y296-Y359 AromaticContact CE1-CE1 3.55Å; Y296-Y359 HydrophobicContact CE1-CE1 3.55Å; Y296-Y359 HydrophobicContact CE1-CG 4.42Å; Y296-Y359 HydrophobicContact CE2-CD1 4.45Å; Y296-Y359 HydrophobicContact CG-CD1 4.09Å; Y296-Y359 AromaticContact CZ-CD1 3.94Å; Y296-Y359 AromaticContact CZ-CE1 3.88Å; F297-Y359 HydrophobicContact CE2-CD1 4.46Å; F297-Y359 AromaticContact CE2-CD2 3.82Å; F297-Y359 HydrophobicContact CE2-CD2 3.82Å; F297-Y359 HydrophobicContact CE2-CE2 4.42Å; F297-Y359 AromaticContact CE2-CG 3.86Å; F297-Y359 HydrophobicContact CE2-CG 3.86Å; F297-Y359 HydrophobicContact CZ-CD1 4.23Å; F297-Y359 AromaticContact CZ-CD2 3.72Å; F297-Y359 HydrophobicContact CZ-CD2 3.72Å; F297-Y359 HydrophobicContact CZ-CE1 4.35Å; F297-Y359 AromaticContact CZ-CE2 3.86Å; F297-Y359 HydrophobicContact CZ-CE2 3.86Å; F297-Y359 AromaticContact CZ-CG 3.94Å; F297-Y359 HydrophobicContact CZ-CG 3.94Å; I325-Y359 HydrophobicContact CD1-CE2 3.86Å; F330-Y359 HydrophobicContact CD2-CE2 4.41Å; F330-Y359 HydrophobicContact CE2-CE2 4.43Å; V333-Y359 HydrophobicContact CG1-CD2 4.31Å; V333-Y359 HydrophobicContact CG2-CD2 4.43Å; I355-Y359 HydrophobicContact CG2-CD2 3.44Å; I355-Y359 VanDerWaalsContact CG2-CD2 3.44Å; I355-Y359 HydrophobicContact CG2-CE2 3.43Å; I355-Y359 VanDerWaalsContact CG2-CE2 3.43Å; I355-Y359 HydrophobicContact CG2-CG 4.25Å; I355-Y359 WeakPolarHBondContact O-CB 3.34Å; I355-Y359 PolarHBondContact O-N 2.99Å; D357-Y359 VanDerWaalsContact C-N 3.33Å; D357-Y359 PolarHBondContact O-N 3.4Å; Y359-L361 VanDerWaalsContact C-N 3.34Å; Y359-L361 PolarHBondContact O-N 2.85Å
360L88.9Confident92Very high92 Ų9237.5 Ų37.548%0.48218%0.184SC..THydrogen-bonded Turntrans53.748.3177.1-54.3177.4000112.5D295 A356 D357 M358 P362D295-L360 HydrophobicContact CB-CD1 4.07Å; A356-L360 PolarHBondContact O-N 3.28Å; D357-L360 PolarHBondContact O-N 3.32Å; M358-L360 VanDerWaalsContact C-N 3.28Å; M358-L360 PolarHBondContact O-N 3.11Å; L360-P362 VanDerWaalsContact C-CD 3.45Å; L360-P362 WeakPolarHBondContact O-CD 3.48Å
361L89.5Confident91.9Very high0 Ų034 Ų340%017%0.172CC..  trans-107.776179.7-64.6168.2000110.1V333 Y336 V337 A356 Y359 G363 L364 K365V333-L361 HydrophobicContact CG1-CD1 3.73Å; Y336-L361 HydrophobicContact CD1-CB 4.48Å; Y336-L361 HydrophobicContact CD1-CD1 4.42Å; Y336-L361 HydrophobicContact CD1-CD2 4.27Å; Y336-L361 HydrophobicContact CE1-CB 4.02Å; Y336-L361 HydrophobicContact CE1-CD2 3.89Å; Y336-L361 HydrophobicContact CE1-CG 4.4Å; V337-L361 HydrophobicContact CG2-CD2 4.29Å; A356-L361 HydrophobicContact CB-CB 4.46Å; A356-L361 PolarHBondContact O-N 3.39Å; Y359-L361 VanDerWaalsContact C-N 3.34Å; Y359-L361 PolarHBondContact O-N 2.85Å; L361-G363 VanDerWaalsContact C-N 3.27Å; L361-G363 PolarHBondContact O-N 3.42Å; L361-L364 HydrophobicContact CB-CB 3.9Å; L361-L364 HydrophobicContact CD1-CD2 4.02Å; L361-L364 PolarHBondContact O-N 3.12Å; L361-K365 PolarHBondContact O-N 2.72Å; L361-K365 VanDerWaalsContact O-N 3.09Å
362P84.8Confident91.9Very high31 Ų3129.8 Ų29.820%0.20115%0.149CC..Hα-helixtrans-60.9-33-172.625.9-37.3000113.3L360 K365 R366L360-P362 VanDerWaalsContact C-CD 3.45Å; L360-P362 WeakPolarHBondContact O-CD 3.48Å; P362-K365 PolarHBondContact O-N 3.1Å; P362-R366 WeakPolarHBondContact O-CG 3.25Å; P362-R366 PolarHBondContact O-N 2.98Å
363G85.8Confident91.6Very high4 Ų430.7 Ų30.74%0.04116%0.157CC..Hα-helixtrans-70.8-32.7176.300000113.4Y336 L361 R366 L367Y336-G363 WeakPolarHBondContact OH-CA 3.25Å; Y336-G363 PolarHBondContact OH-N 3.12Å; L361-G363 VanDerWaalsContact C-N 3.27Å; L361-G363 PolarHBondContact O-N 3.42Å; G363-R366 VanDerWaalsContact CA-NH2 3.32Å; G363-R366 WeakPolarHBondContact O-CB 3.48Å; G363-R366 PolarHBondContact O-N 3.38Å; G363-L367 WeakPolarHBondContact O-CG 3.5Å; G363-L367 PolarHBondContact O-N 3.08Å
364L91.6Very high91.3Very high0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-68.5-42173.1-176.653.6000110.7V333 Y336 T342 V352 A356 L361 R366 L367 C368V333-L364 HydrophobicContact CG2-CD2 3.98Å; Y336-L364 HydrophobicContact CD1-CB 3.66Å; Y336-L364 HydrophobicContact CD1-CD2 4.22Å; Y336-L364 HydrophobicContact CD1-CG 4.38Å; Y336-L364 HydrophobicContact CD2-CB 4.03Å; Y336-L364 HydrophobicContact CD2-CD1 4.25Å; Y336-L364 HydrophobicContact CE1-CB 3.8Å; Y336-L364 HydrophobicContact CE2-CB 4.18Å; Y336-L364 HydrophobicContact CG-CB 3.77Å; Y336-L364 HydrophobicContact CG-CD1 3.98Å; Y336-L364 HydrophobicContact CG-CD2 4.33Å; Y336-L364 HydrophobicContact CG-CG 4.24Å; Y336-L364 PolarHBondContact OH-N 2.91Å; T342-L364 HydrophobicContact CG2-CD1 3.6Å; V352-L364 HydrophobicContact CG1-CD1 3.95Å; V352-L364 HydrophobicContact CG1-CD2 3.93Å; V352-L364 HydrophobicContact CG1-CG 3.99Å; A356-L364 HydrophobicContact CB-CB 3.87Å; A356-L364 HydrophobicContact CB-CD2 3.8Å; A356-L364 HydrophobicContact CB-CG 3.68Å; L361-L364 HydrophobicContact CB-CB 3.9Å; L361-L364 HydrophobicContact CD1-CD2 4.02Å; L361-L364 PolarHBondContact O-N 3.12Å; L364-R366 PolarHBondContact O-N 3.04Å; L364-L367 HydrophobicContact CD1-CB 4.49Å; L364-L367 HydrophobicContact CD1-CD1 4.42Å; L364-L367 WeakPolarHBondContact O-CA 3.11Å; L364-L367 WeakPolarHBondContact O-CB 3.48Å; L364-L367 PolarHBondContact O-N 2.9Å; L364-C368 PolarHBondContact O-N 3.03Å; L364-C368 PolarHBondContact O-SG 3.26Å; L364-C368 VanDerWaalsContact O-SG 3.33Å
365K90.5Very high91.1Very high28 Ų2838.8 Ų38.812%0.12219%0.193CC..Hα-helixtrans-55.3-41.3172.3-63.2-179.465.4178.40111.9L353 A356 D357 L361 P362 C368 G369 F391 L393L353-K365 HydrophobicContact CD1-CB 3.91Å; L353-K365 HydrophobicContact CD1-CG 4.01Å; A356-K365 HydrophobicContact CB-CG 3.63Å; D357-K365 HydrophobicContact CB-CD 4.11Å; D357-K365 WeakPolarHBondContact OD1-CE 3.36Å; D357-K365 IonicContact OD1-NZ 3.67Å; D357-K365 PolarHBondContact OD1-NZ 3.47Å; L361-K365 PolarHBondContact O-N 2.72Å; L361-K365 VanDerWaalsContact O-N 3.09Å; P362-K365 PolarHBondContact O-N 3.1Å; K365-C368 PolarHBondContact O-N 3.24Å; K365-G369 PolarHBondContact O-N 2.82Å; K365-F391 WeakPolarHBondContact CE-O 3.35Å; K365-F391 PolarHBondContact NZ-O 3.38Å; K365-L393 HydrophobicContact CB-CD2 3.99Å
366R86.9Confident91Very high64 Ų6439.2 Ų39.224%0.24220%0.196CC..Hα-helixtrans-64.2-38.7174.3-70.8-173.9-58.7-102.85.1112.3P362 G363 L364 G369 R370P362-R366 WeakPolarHBondContact O-CG 3.25Å; P362-R366 PolarHBondContact O-N 2.98Å; G363-R366 VanDerWaalsContact CA-NH2 3.32Å; G363-R366 WeakPolarHBondContact O-CB 3.48Å; G363-R366 PolarHBondContact O-N 3.38Å; L364-R366 PolarHBondContact O-N 3.04Å; R366-G369 PolarHBondContact O-N 3.38Å; R366-R370 WeakPolarHBondContact O-CG 3.39Å; R366-R370 PolarHBondContact O-N 3.22Å
367L90Very high90.9Very high34 Ų3442.7 Ų42.718%0.17821%0.214CC..Hα-helixtrans-64.8-44.3175.2-68.6177.8000111.5Y336 T342 L344 G363 L364 G369 R370 S371Y336-L367 HydrophobicContact CD2-CD1 3.67Å; Y336-L367 HydrophobicContact CE2-CD1 4.13Å; T342-L367 HydrophobicContact CG2-CD1 4.19Å; L344-L367 HydrophobicContact CD1-CB 4.32Å; G363-L367 WeakPolarHBondContact O-CG 3.5Å; G363-L367 PolarHBondContact O-N 3.08Å; L364-L367 HydrophobicContact CD1-CB 4.49Å; L364-L367 HydrophobicContact CD1-CD1 4.42Å; L364-L367 WeakPolarHBondContact O-CA 3.11Å; L364-L367 WeakPolarHBondContact O-CB 3.48Å; L364-L367 PolarHBondContact O-N 2.9Å; L367-G369 VanDerWaalsContact C-N 3.33Å; L367-G369 PolarHBondContact O-N 2.81Å; L367-R370 PolarHBondContact O-N 2.88Å; L367-S371 PolarHBondContact O-N 2.91Å
368C94.1Very high90.9Very high0 Ų042.9 Ų42.90%021%0.213CC..Hα-helixtrans-56.8-48.4172.9-61.70000110.9L353 L364 K365 R370 S371 L372L353-C368 HydrophobicContact CB-CB 3.91Å; L353-C368 HydrophobicContact CD1-CB 4.13Å; L364-C368 PolarHBondContact O-N 3.03Å; L364-C368 PolarHBondContact O-SG 3.26Å; L364-C368 VanDerWaalsContact O-SG 3.33Å; K365-C368 PolarHBondContact O-N 3.24Å; C368-R370 VanDerWaalsContact C-N 3.33Å; C368-R370 PolarHBondContact O-N 3.42Å; C368-S371 PolarHBondContact O-N 2.97Å; C368-S371 VanDerWaalsContact O-N 3.12Å; C368-L372 WeakPolarHBondContact O-CG 3.44Å; C368-L372 PolarHBondContact O-N 3.1Å
369G91Very high90.9Very high3 Ų344.1 Ų44.13%0.03122%0.222CC..Hα-helixtrans-61.6-39178.600000113.2K365 R366 L367 S371 L372 A373K365-G369 PolarHBondContact O-N 2.82Å; R366-G369 PolarHBondContact O-N 3.38Å; L367-G369 VanDerWaalsContact C-N 3.33Å; L367-G369 PolarHBondContact O-N 2.81Å; G369-S371 PolarHBondContact O-N 3.47Å; G369-L372 PolarHBondContact O-N 3.13Å; G369-A373 WeakPolarHBondContact O-CB 3.47Å; G369-A373 PolarHBondContact O-N 2.92Å
370R89.6Confident90.8Very high127 Ų12745.5 Ų45.548%0.47923%0.231SC..Hα-helixtrans-64.7-36.9174-73.4177.674-174.6-0112.8R366 L367 C368 Q374R366-R370 WeakPolarHBondContact O-CG 3.39Å; R366-R370 PolarHBondContact O-N 3.22Å; L367-R370 PolarHBondContact O-N 2.88Å; C368-R370 VanDerWaalsContact C-N 3.33Å; C368-R370 PolarHBondContact O-N 3.42Å; R370-Q374 WeakPolarHBondContact O-CG 3.49Å; R370-Q374 PolarHBondContact O-N 3.45Å
371S91.9Very high91.2Very high14 Ų1441.1 Ų41.110%0.09821%0.208CC..Hα-helixtrans-66.8-46.9175.7-175.30000110.9L344 L367 C368 G369 A373 Q374L344-S371 PolarHBondContact O-OG 2.83Å; L367-S371 PolarHBondContact O-N 2.91Å; C368-S371 PolarHBondContact O-N 2.97Å; C368-S371 VanDerWaalsContact O-N 3.12Å; G369-S371 PolarHBondContact O-N 3.47Å; S371-A373 VanDerWaalsContact C-N 3.33Å; S371-A373 PolarHBondContact O-N 3.15Å; S371-Q374 WeakPolarHBondContact O-CB 3.35Å; S371-Q374 PolarHBondContact O-N 3.27Å; S371-Q374 VanDerWaalsContact O-N 3.15Å
372L93.8Very high91.5Very high1 Ų141.1 Ų41.11%0.00521%0.208CC..Hα-helixtrans-60.7-39.4176.5-66.9174.2000112.6A349 Y350 L353 C368 G369 Q374 V375 V384 L396A349-L372 HydrophobicContact CB-CD2 3.87Å; A349-L372 HydrophobicContact CB-CG 4.03Å; Y350-L372 HydrophobicContact CD1-CD1 4.41Å; Y350-L372 HydrophobicContact CD1-CD2 4.41Å; Y350-L372 HydrophobicContact CD2-CD2 4.26Å; Y350-L372 HydrophobicContact CE1-CD1 4.13Å; Y350-L372 HydrophobicContact CE1-CD2 3.92Å; Y350-L372 HydrophobicContact CE2-CD2 3.76Å; L353-L372 HydrophobicContact CD2-CD1 4.39Å; C368-L372 WeakPolarHBondContact O-CG 3.44Å; C368-L372 PolarHBondContact O-N 3.1Å; G369-L372 PolarHBondContact O-N 3.13Å; L372-Q374 PolarHBondContact O-N 3.4Å; L372-V375 WeakPolarHBondContact O-CG2 3.47Å; L372-V375 PolarHBondContact O-N 3.3Å; L372-V384 HydrophobicContact CB-CG1 4.12Å; L372-L396 HydrophobicContact CB-CD2 4.3Å; L372-L396 HydrophobicContact CD1-CD2 4.24Å
373A91.4Very high92Very high19 Ų1941.3 Ų41.316%0.15722%0.216CC..Hα-helixtrans-62.4-27.1177.900000113.8G369 S371 V375 L396 Q399G369-A373 WeakPolarHBondContact O-CB 3.47Å; G369-A373 PolarHBondContact O-N 2.92Å; S371-A373 VanDerWaalsContact C-N 3.33Å; S371-A373 PolarHBondContact O-N 3.15Å; A373-V375 VanDerWaalsContact C-N 3.28Å; A373-V375 PolarHBondContact O-N 3.26Å; A373-L396 HydrophobicContact CB-CD1 3.78Å; A373-Q399 VanDerWaalsContact CB-OE1 3.27Å
374Q90.3Very high92.5Very high157 Ų15741.2 Ų41.273%0.73421%0.214SC*.Hα-helixtrans-74.4-20.4-178-73.1174.38.800113.2R370 S371 L372R370-Q374 WeakPolarHBondContact O-CG 3.49Å; R370-Q374 PolarHBondContact O-N 3.45Å; S371-Q374 WeakPolarHBondContact O-CB 3.35Å; S371-Q374 PolarHBondContact O-N 3.27Å; S371-Q374 VanDerWaalsContact O-N 3.15Å; L372-Q374 PolarHBondContact O-N 3.4Å
375V89.9Confident92.7Very high68 Ų6841.7 Ų41.741%0.41222%0.216SC..THydrogen-bonded Turntrans-113.717.3-175.5-62.40000112.7P346 L372 A373 D377P346-V375 HydrophobicContact CB-CG1 4.44Å; P346-V375 HydrophobicContact CB-CG2 4.02Å; P346-V375 HydrophobicContact CG-CG1 3.75Å; P346-V375 HydrophobicContact CG-CG2 4.22Å; L372-V375 WeakPolarHBondContact O-CG2 3.47Å; L372-V375 PolarHBondContact O-N 3.3Å; A373-V375 VanDerWaalsContact C-N 3.28Å; A373-V375 PolarHBondContact O-N 3.26Å; V375-D377 PolarHBondContact O-N 3.39Å
376L94.3Very high92.9Very high24 Ų2444.1 Ų44.113%0.12623%0.225CC..  trans-61.8127.2177.1-71.7174.5000111V381 V384 Y403L376-V381 HydrophobicContact CD2-CB 4.48Å; L376-V381 HydrophobicContact CD2-CG2 4.34Å; L376-V384 HydrophobicContact CD2-CB 3.75Å; L376-V384 HydrophobicContact CD2-CG1 3.74Å; L376-V384 HydrophobicContact CD2-CG2 3.97Å; L376-Y403 HydrophobicContact CB-CD2 4.29Å
377D94.4Very high93.3Very high73 Ų7342.5 Ų42.539%0.3922%0.222SC..  trans-133.8175.6173.962.132.4000111.3V375 D379 S380 V381 Y403V375-D377 PolarHBondContact O-N 3.39Å; D377-D379 PolarHBondContact O-N 2.98Å; D377-D379 PolarHBondContact OD1-N 2.79Å; D377-D379 VanDerWaalsContact OD1-N 3.07Å; D377-S380 VanDerWaalsContact CG-OG 3.25Å; D377-S380 PolarHBondContact N-OG 3Å; D377-S380 VanDerWaalsContact N-OG 3.1Å; D377-S380 PolarHBondContact O-N 2.88Å; D377-S380 WeakPolarHBondContact OD1-CB 3.32Å; D377-S380 PolarHBondContact OD1-N 3Å; D377-S380 PolarHBondContact OD1-OG 3.26Å; D377-V381 WeakPolarHBondContact O-CB 3.31Å; D377-V381 PolarHBondContact O-N 2.87Å; D377-V381 VanDerWaalsContact O-N 3.09Å; D377-Y403 WeakPolarHBondContact CA-OH 3.43Å
378E93.4Very high93.4Very high70 Ų7040.9 Ų40.933%0.32721%0.214SC..THydrogen-bonded Turntrans-59.5-27.6-178.3-63-178.9-174.200112.5Y403 V407 K410 R414E378-Y403 PolarHBondContact N-OH 2.66Å; E378-V407 HydrophobicContact CG-CG1 4.22Å; E378-K410 IonicContact OE1-NZ 3.03Å; E378-K410 PolarHBondContact OE1-NZ 2.78Å; E378-K410 VanDerWaalsContact OE2-CD 3.27Å; E378-K410 WeakPolarHBondContact OE2-CD 3.37Å; E378-K410 IonicContact OE2-NZ 2.71Å; E378-K410 PolarHBondContact OE2-NZ 2.76Å; E378-R414 PolarHBondContact O-NH1 3.13Å
379D92.4Very high93.2Very high116 Ų11644.8 Ų44.862%0.6223%0.23SC*.THydrogen-bonded Turntrans-89.7-32.9-175.8-69.2-36.5000113.8D377 R414D377-D379 PolarHBondContact O-N 2.98Å; D377-D379 PolarHBondContact OD1-N 2.79Å; D377-D379 VanDerWaalsContact OD1-N 3.07Å; D379-R414 PolarHBondContact O-NH2 3.06Å; D379-R414 IonicContact OD1-CZ 3.5Å; D379-R414 IonicContact OD1-NH1 3.74Å; D379-R414 PolarHBondContact OD1-NH1 2.85Å; D379-R414 IonicContact OD1-NH2 2.88Å
380S93.6Very high93.3Very high30 Ų3050.8 Ų50.821%0.2126%0.261CS..THydrogen-bonded Turntrans-94-25.9-174.559.70000113.4D377 V382 G383 V384D377-S380 VanDerWaalsContact CG-OG 3.25Å; D377-S380 PolarHBondContact N-OG 3Å; D377-S380 VanDerWaalsContact N-OG 3.1Å; D377-S380 PolarHBondContact O-N 2.88Å; D377-S380 WeakPolarHBondContact OD1-CB 3.32Å; D377-S380 PolarHBondContact OD1-N 3Å; D377-S380 PolarHBondContact OD1-OG 3.26Å; S380-V382 VanDerWaalsContact C-N 3.31Å; S380-V382 PolarHBondContact O-N 3.11Å; S380-V382 VanDerWaalsContact O-N 3.16Å; S380-G383 WeakPolarHBondContact O-CA 3.3Å; S380-G383 PolarHBondContact O-N 2.72Å; S380-V384 WeakPolarHBondContact O-CG2 3.42Å; S380-V384 PolarHBondContact O-N 3.32Å
381V96.4Very high93.2Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-56.7-39.1-167.667.40000113.9L376 D377 W385 C400 Y403 M404 L411L376-V381 HydrophobicContact CD2-CB 4.48Å; L376-V381 HydrophobicContact CD2-CG2 4.34Å; D377-V381 WeakPolarHBondContact O-CB 3.31Å; D377-V381 PolarHBondContact O-N 2.87Å; D377-V381 VanDerWaalsContact O-N 3.09Å; V381-W385 VanDerWaalsContact O-CB 3.24Å; V381-W385 WeakPolarHBondContact O-CB 3.49Å; V381-W385 PolarHBondContact O-N 2.72Å; V381-C400 HydrophobicContact CG2-CB 4.08Å; V381-Y403 HydrophobicContact CB-CD1 3.98Å; V381-Y403 HydrophobicContact CB-CE1 4.4Å; V381-Y403 HydrophobicContact CG1-CD1 4.2Å; V381-Y403 HydrophobicContact CG1-CE1 4.46Å; V381-Y403 HydrophobicContact CG2-CD1 3.79Å; V381-Y403 HydrophobicContact CG2-CG 4.3Å; V381-M404 HydrophobicContact CG1-CE 4.43Å; V381-M404 HydrophobicContact CG1-CG 4.13Å; V381-M404 HydrophobicContact CG2-CE 3.94Å; V381-M404 HydrophobicContact CG2-CG 3.74Å; V381-M404 WeakPolarHBondContact O-CE 3.17Å; V381-L411 HydrophobicContact CG1-CD1 4.32Å; V381-L411 HydrophobicContact CG1-CD2 4.19Å
382V96.1Very high92.9Very high0 Ų052.9 Ų52.90%027%0.268CS..Hα-helixtrans-68.1-41.7178.4-175.70000111S380 R386 M404 L411 F417 A420S380-V382 VanDerWaalsContact C-N 3.31Å; S380-V382 PolarHBondContact O-N 3.11Å; S380-V382 VanDerWaalsContact O-N 3.16Å; V382-R386 WeakPolarHBondContact O-CG 3.25Å; V382-R386 PolarHBondContact O-N 3.18Å; V382-R386 VanDerWaalsContact O-N 3.09Å; V382-M404 HydrophobicContact CB-CE 4.45Å; V382-M404 HydrophobicContact CG2-CE 4.22Å; V382-L411 HydrophobicContact CG2-CD2 4.33Å; V382-F417 HydrophobicContact CG2-CB 4.11Å; V382-F417 HydrophobicContact CG2-CD2 4.16Å; V382-A420 HydrophobicContact CG1-CB 4.03Å
383G94.9Very high92.4Very high35 Ų3553.6 Ų53.636%0.36127%0.271SS..Hα-helixtrans-65.4-46.4175.700000112.4S380 W385 R386 V387S380-G383 WeakPolarHBondContact O-CA 3.3Å; S380-G383 PolarHBondContact O-N 2.72Å; G383-W385 VanDerWaalsContact C-N 3.33Å; G383-W385 PolarHBondContact O-N 3.3Å; G383-R386 WeakPolarHBondContact O-CB 3.15Å; G383-R386 PolarHBondContact O-N 3.3Å; G383-V387 WeakPolarHBondContact O-CG2 3.45Å; G383-V387 PolarHBondContact O-N 2.85Å
384V95.6Very high91.9Very high2 Ų255 Ų551%0.01228%0.283CS..Hα-helixtrans-63.9-39.3178.3179.90000111Y350 L372 L376 S380 V387 A388 L396Y350-V384 WeakPolarHBondContact OH-CG2 3.22Å; L372-V384 HydrophobicContact CB-CG1 4.12Å; L376-V384 HydrophobicContact CD2-CB 3.75Å; L376-V384 HydrophobicContact CD2-CG1 3.74Å; L376-V384 HydrophobicContact CD2-CG2 3.97Å; S380-V384 WeakPolarHBondContact O-CG2 3.42Å; S380-V384 PolarHBondContact O-N 3.32Å; V384-V387 PolarHBondContact O-N 3.46Å; V384-A388 WeakPolarHBondContact O-CB 3.23Å; V384-A388 PolarHBondContact O-N 2.89Å; V384-L396 HydrophobicContact CG1-CD1 4.03Å; V384-L396 HydrophobicContact CG1-CD2 3.89Å; V384-L396 HydrophobicContact CG1-CG 4.19Å
385W96.1Very high91.5Very high10 Ų1053.5 Ų53.54%0.03827%0.271CS..Hα-helixtrans-61.3-44.1173.9174.781.6000112.4V381 G383 V387 A388 K389 C400 M404 A420 E424 L439V381-W385 VanDerWaalsContact O-CB 3.24Å; V381-W385 WeakPolarHBondContact O-CB 3.49Å; V381-W385 PolarHBondContact O-N 2.72Å; G383-W385 VanDerWaalsContact C-N 3.33Å; G383-W385 PolarHBondContact O-N 3.3Å; W385-V387 VanDerWaalsContact C-N 3.31Å; W385-V387 PolarHBondContact O-N 3.42Å; W385-A388 WeakPolarHBondContact O-CB 3.42Å; W385-A388 PolarHBondContact O-N 3.38Å; W385-K389 HydrophobicContact CH2-CD 4.19Å; W385-K389 HydrophobicContact CZ2-CD 4.12Å; W385-K389 WeakPolarHBondContact O-CB 3.43Å; W385-K389 PolarHBondContact O-N 3.03Å; W385-C400 HydrophobicContact CB-CB 3.74Å; W385-C400 HydrophobicContact CG-CB 4.26Å; W385-M404 HydrophobicContact CB-CE 3.46Å; W385-M404 VanDerWaalsContact CB-CE 3.46Å; W385-M404 HydrophobicContact CD2-CE 4.32Å; W385-M404 HydrophobicContact CG-CE 3.77Å; W385-A420 HydrophobicContact CZ3-CB 4.02Å; W385-E424 HydrophobicContact CH2-CG 3.67Å; W385-E424 HydrophobicContact CZ2-CG 4.33Å; W385-L439 HydrophobicContact CD2-CD1 4.23Å; W385-L439 HydrophobicContact CH2-CB 4.23Å; W385-L439 HydrophobicContact CH2-CD1 4.36Å; W385-L439 HydrophobicContact CH2-CD2 3.83Å; W385-L439 HydrophobicContact CH2-CG 4.37Å; W385-L439 HydrophobicContact CZ2-CB 3.89Å; W385-L439 HydrophobicContact CZ2-CD1 3.77Å; W385-L439 HydrophobicContact CZ2-CD2 4.08Å; W385-L439 HydrophobicContact CZ2-CG 4.12Å; W385-L439 HydrophobicContact CZ3-CD2 4.11Å
386R95.2Very high91.4Very high80 Ų8050.4 Ų50.430%0.30225%0.252SS..Hα-helixtrans-59.2-42.4174.4-76.7-179.6166.2137.4-3.8111.8V382 G383 K389 L390 D416 E423V382-R386 WeakPolarHBondContact O-CG 3.25Å; V382-R386 PolarHBondContact O-N 3.18Å; V382-R386 VanDerWaalsContact O-N 3.09Å; G383-R386 WeakPolarHBondContact O-CB 3.15Å; G383-R386 PolarHBondContact O-N 3.3Å; R386-K389 PolarHBondContact O-N 3.39Å; R386-L390 WeakPolarHBondContact O-CB 3.47Å; R386-L390 PolarHBondContact O-N 3.5Å; R386-D416 PolarHBondContact NH2-O 3.2Å; R386-E423 IonicContact CZ-OE2 2.64Å; R386-E423 IonicContact NE-OE2 3.12Å; R386-E423 PolarHBondContact NE-OE2 3.22Å; R386-E423 IonicContact NH2-OE1 3.21Å; R386-E423 IonicContact NH2-OE2 3.53Å; R386-E423 PolarHBondContact NH2-OE2 3.06Å
387V94.8Very high91.2Very high30 Ų3051.4 Ų51.418%0.18226%0.256CS..Hα-helixtrans-64.3-45.1175.4171.60000110.8Y350 L353 G383 V384 W385 K389 L390 F391Y350-V387 HydrophobicContact CD1-CG1 4.22Å; Y350-V387 HydrophobicContact CD1-CG2 4.37Å; Y350-V387 HydrophobicContact CE1-CB 4.49Å; Y350-V387 HydrophobicContact CE1-CG1 4.23Å; Y350-V387 HydrophobicContact CE1-CG2 4.05Å; L353-V387 HydrophobicContact CD2-CG1 3.6Å; G383-V387 WeakPolarHBondContact O-CG2 3.45Å; G383-V387 PolarHBondContact O-N 2.85Å; V384-V387 PolarHBondContact O-N 3.46Å; W385-V387 VanDerWaalsContact C-N 3.31Å; W385-V387 PolarHBondContact O-N 3.42Å; V387-K389 VanDerWaalsContact C-N 3.28Å; V387-K389 PolarHBondContact O-N 3.06Å; V387-L390 PolarHBondContact O-N 3.32Å; V387-F391 HydrophobicContact CG1-CD2 3.81Å; V387-F391 HydrophobicContact CG1-CE2 4.11Å; V387-F391 WeakPolarHBondContact O-CD2 3.44Å; V387-F391 PolarHBondContact O-N 2.88Å
388A92.3Very high90.7Very high0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-56.1-46.4177.300000110.7V384 W385 F391 R392 L393 L396 E397V384-A388 WeakPolarHBondContact O-CB 3.23Å; V384-A388 PolarHBondContact O-N 2.89Å; W385-A388 WeakPolarHBondContact O-CB 3.42Å; W385-A388 PolarHBondContact O-N 3.38Å; A388-F391 CarbonylContact O-C 3.5Å; A388-F391 PolarHBondContact O-N 3.35Å; A388-R392 CarbonylContact O-C 3.52Å; A388-R392 WeakPolarHBondContact O-CA 3.33Å; A388-R392 PolarHBondContact O-N 2.89Å; A388-L393 HydrophobicContact CB-CB 4.26Å; A388-L393 PolarHBondContact O-N 2.88Å; A388-L396 HydrophobicContact CB-CB 3.93Å; A388-L396 HydrophobicContact CB-CD2 3.66Å; A388-L396 HydrophobicContact CB-CG 3.65Å; A388-E397 HydrophobicContact CB-CB 4.45Å; A388-E397 HydrophobicContact CB-CG 3.55Å
389K90.1Very high90.5Very high81 Ų8150.9 Ų50.935%0.35225%0.254SS..Hα-helixtrans-64-44.7176.6-171.4170.4-175.2174.10113.4W385 R386 V387 F391 R392 E397 E424W385-K389 HydrophobicContact CH2-CD 4.19Å; W385-K389 HydrophobicContact CZ2-CD 4.12Å; W385-K389 WeakPolarHBondContact O-CB 3.43Å; W385-K389 PolarHBondContact O-N 3.03Å; R386-K389 PolarHBondContact O-N 3.39Å; V387-K389 VanDerWaalsContact C-N 3.28Å; V387-K389 PolarHBondContact O-N 3.06Å; K389-F391 VanDerWaalsContact C-N 3.31Å; K389-F391 PolarHBondContact O-N 3.49Å; K389-R392 PolarHBondContact O-N 3.39Å; K389-E397 WeakPolarHBondContact CA-OE1 3.49Å; K389-E424 IonicContact NZ-OE1 3.65Å; K389-E424 PolarHBondContact NZ-OE1 2.73Å; K389-E424 IonicContact NZ-OE2 2.74Å; K389-E424 PolarHBondContact NZ-OE2 3.37Å
390L92.9Very high90.7Very high130 Ų13045.3 Ų45.368%0.68122%0.224SC*.Hα-helixtrans-57.6-46178.2-17962.9000111.3R386 V387R386-L390 WeakPolarHBondContact O-CB 3.47Å; R386-L390 PolarHBondContact O-N 3.5Å; V387-L390 PolarHBondContact O-N 3.32Å
391F88.6Confident90.7Very high28 Ų2844 Ų4412%0.12321%0.214CC..Hα-helixtrans-903.1-179.9-69.7-77.8000113.8L353 D357 K365 V387 A388 K389 L393L353-F391 HydrophobicContact CD1-CB 4.2Å; L353-F391 HydrophobicContact CD1-CD1 4.4Å; L353-F391 HydrophobicContact CD1-CG 4.16Å; L353-F391 HydrophobicContact CD2-CB 4.24Å; L353-F391 HydrophobicContact CD2-CD2 3.51Å; L353-F391 HydrophobicContact CD2-CE2 3.96Å; L353-F391 HydrophobicContact CD2-CG 3.89Å; L353-F391 HydrophobicContact CG-CB 4.34Å; L353-F391 HydrophobicContact CG-CD1 4.12Å; L353-F391 HydrophobicContact CG-CD2 3.83Å; L353-F391 HydrophobicContact CG-CE1 4.37Å; L353-F391 HydrophobicContact CG-CE2 4.1Å; L353-F391 HydrophobicContact CG-CG 3.83Å; L353-F391 HydrophobicContact CG-CZ 4.36Å; D357-F391 HydrophobicContact CB-CD1 3.7Å; D357-F391 HydrophobicContact CB-CE1 3.82Å; K365-F391 WeakPolarHBondContact CE-O 3.35Å; K365-F391 PolarHBondContact NZ-O 3.38Å; V387-F391 HydrophobicContact CG1-CD2 3.81Å; V387-F391 HydrophobicContact CG1-CE2 4.11Å; V387-F391 WeakPolarHBondContact O-CD2 3.44Å; V387-F391 PolarHBondContact O-N 2.88Å; A388-F391 CarbonylContact O-C 3.5Å; A388-F391 PolarHBondContact O-N 3.35Å; K389-F391 VanDerWaalsContact C-N 3.31Å; K389-F391 PolarHBondContact O-N 3.49Å; F391-L393 HydrophobicContact CB-CD1 4.44Å; F391-L393 HydrophobicContact CB-CG 4.23Å
392R84.5Confident90.5Very high156 Ų15647.5 Ų47.559%0.58923%0.231SC*.THydrogen-bonded Turntrans5749.8178.6-46.5-170.2-177145.5-3.5113.2A388 K389 A394A388-R392 CarbonylContact O-C 3.52Å; A388-R392 WeakPolarHBondContact O-CA 3.33Å; A388-R392 PolarHBondContact O-N 2.89Å; K389-R392 PolarHBondContact O-N 3.39Å; R392-A394 PolarHBondContact O-N 3.21Å
393L83.4Confident90.4Very high16 Ų1650.5 Ų50.58%0.08424%0.243CC..  trans-95.475.2178.2-67.2177.8000110L353 K365 A388 F391 R395 L396 E397L353-L393 HydrophobicContact CD1-CD1 3.91Å; L353-L393 HydrophobicContact CD2-CD1 4.02Å; K365-L393 HydrophobicContact CB-CD2 3.99Å; A388-L393 HydrophobicContact CB-CB 4.26Å; A388-L393 PolarHBondContact O-N 2.88Å; F391-L393 HydrophobicContact CB-CD1 4.44Å; F391-L393 HydrophobicContact CB-CG 4.23Å; L393-R395 PolarHBondContact O-N 2.93Å; L393-R395 VanDerWaalsContact O-N 3.09Å; L393-L396 HydrophobicContact CB-CB 3.9Å; L393-L396 HydrophobicContact CD1-CD2 3.92Å; L393-L396 WeakPolarHBondContact O-CA 3.42Å; L393-L396 PolarHBondContact O-N 3.15Å; L393-E397 PolarHBondContact O-N 3.5Å
394A81.6Confident90.5Very high49 Ų4948.8 Ų48.841%0.40523%0.225SC..Hα-helixtrans-51.3-40.5-173.300000113.9R392 E397 D398R392-A394 PolarHBondContact O-N 3.21Å; A394-E397 WeakPolarHBondContact O-CB 3.41Å; A394-E397 PolarHBondContact O-N 3.3Å; A394-D398 PolarHBondContact O-N 3.01Å
395R81.7Confident90.3Very high125 Ų12548.9 Ų48.947%0.47223%0.226SC..Hα-helixtrans-67.3-37.8177.3-175.1175.6177.7156.55.4113.4L393 Q399L393-R395 PolarHBondContact O-N 2.93Å; L393-R395 VanDerWaalsContact O-N 3.09Å; R395-Q399 WeakPolarHBondContact O-CG 3.49Å; R395-Q399 PolarHBondContact O-N 2.7Å; R395-Q399 VanDerWaalsContact O-N 3.08Å; R395-Q399 PolarHBondContact O-OE1 3.15Å
396L87.5Confident90.1Very high3 Ų353.5 Ų53.52%0.01625%0.247CC..Hα-helixtrans-72.5-36.5176.217862.7000110.4L372 A373 V384 A388 L393 Q399 C400L372-L396 HydrophobicContact CB-CD2 4.3Å; L372-L396 HydrophobicContact CD1-CD2 4.24Å; A373-L396 HydrophobicContact CB-CD1 3.78Å; V384-L396 HydrophobicContact CG1-CD1 4.03Å; V384-L396 HydrophobicContact CG1-CD2 3.89Å; V384-L396 HydrophobicContact CG1-CG 4.19Å; A388-L396 HydrophobicContact CB-CB 3.93Å; A388-L396 HydrophobicContact CB-CD2 3.66Å; A388-L396 HydrophobicContact CB-CG 3.65Å; L393-L396 HydrophobicContact CB-CB 3.9Å; L393-L396 HydrophobicContact CD1-CD2 3.92Å; L393-L396 WeakPolarHBondContact O-CA 3.42Å; L393-L396 PolarHBondContact O-N 3.15Å; L396-Q399 PolarHBondContact O-N 3.09Å; L396-C400 WeakPolarHBondContact O-CB 3.22Å; L396-C400 PolarHBondContact O-N 2.91Å; L396-C400 PolarHBondContact O-SG 3.34Å
397E89.1Confident90.1Very high46 Ų4650.8 Ų50.822%0.21524%0.239CC..Hα-helixtrans-56.2-52173-68.4172.1-139.900110.5A388 K389 L393 A394 Q399 C400 T401A388-E397 HydrophobicContact CB-CB 4.45Å; A388-E397 HydrophobicContact CB-CG 3.55Å; K389-E397 WeakPolarHBondContact CA-OE1 3.49Å; L393-E397 PolarHBondContact O-N 3.5Å; A394-E397 WeakPolarHBondContact O-CB 3.41Å; A394-E397 PolarHBondContact O-N 3.3Å; E397-Q399 PolarHBondContact O-N 3.49Å; E397-C400 WeakPolarHBondContact O-CB 3.23Å; E397-C400 PolarHBondContact O-N 2.91Å; E397-C400 VanDerWaalsContact O-N 3.1Å; E397-T401 PolarHBondContact O-N 2.81Å; E397-T401 PolarHBondContact O-OG1 2.99Å
398D85.7Confident90.1Very high77 Ų7749.4 Ų49.441%0.41223%0.23SC..Hα-helixtrans-58.1-43.7176.4-176.879.3000112.3A394 C400 T401 E402 H446A394-D398 PolarHBondContact O-N 3.01Å; D398-C400 VanDerWaalsContact C-N 3.31Å; D398-C400 PolarHBondContact O-N 3.17Å; D398-T401 WeakPolarHBondContact CA-OG1 3.32Å; D398-T401 PolarHBondContact O-N 2.81Å; D398-T401 PolarHBondContact O-OG1 3.24Å; D398-E402 VanDerWaalsContact O-CB 3.29Å; D398-E402 WeakPolarHBondContact O-CB 3.3Å; D398-E402 PolarHBondContact O-N 3.5Å; D398-H446 PolarHBondContact O-NE2 3.15Å; D398-H446 IonicContact OD1-CE1 2.63Å; D398-H446 PolarHBondContact OD1-CE1 3.42Å; D398-H446 IonicContact OD1-NE2 2.9Å; D398-H446 PolarHBondContact OD1-NE2 3.05Å
399Q89.2Confident90.1Very high54 Ų5453 Ų5325%0.25225%0.247SC..Hα-helixtrans-63.8-36.5175.6-73.4175.9-48.900112.7A373 R395 L396 E397 Y403A373-Q399 VanDerWaalsContact CB-OE1 3.27Å; R395-Q399 WeakPolarHBondContact O-CG 3.49Å; R395-Q399 PolarHBondContact O-N 2.7Å; R395-Q399 VanDerWaalsContact O-N 3.08Å; R395-Q399 PolarHBondContact O-OE1 3.15Å; L396-Q399 PolarHBondContact O-N 3.09Å; E397-Q399 PolarHBondContact O-N 3.49Å; Q399-Y403 WeakPolarHBondContact O-CB 3.19Å; Q399-Y403 PolarHBondContact O-N 2.86Å; Q399-Y403 VanDerWaalsContact O-N 3.07Å
400C95.4Very high90.2Very high0 Ų054.7 Ų54.70%026%0.255CS..Hα-helixtrans-69.9-44.9176-66.20000110.9V381 W385 L396 E397 D398 E402 Y403 M404V381-C400 HydrophobicContact CG2-CB 4.08Å; W385-C400 HydrophobicContact CB-CB 3.74Å; W385-C400 HydrophobicContact CG-CB 4.26Å; L396-C400 WeakPolarHBondContact O-CB 3.22Å; L396-C400 PolarHBondContact O-N 2.91Å; L396-C400 PolarHBondContact O-SG 3.34Å; E397-C400 WeakPolarHBondContact O-CB 3.23Å; E397-C400 PolarHBondContact O-N 2.91Å; E397-C400 VanDerWaalsContact O-N 3.1Å; D398-C400 VanDerWaalsContact C-N 3.31Å; D398-C400 PolarHBondContact O-N 3.17Å; C400-E402 VanDerWaalsContact C-N 3.33Å; C400-E402 PolarHBondContact O-N 2.79Å; C400-Y403 PolarHBondContact O-N 2.88Å; C400-M404 WeakPolarHBondContact O-CB 3.43Å; C400-M404 VanDerWaalsContact O-CG 3.24Å; C400-M404 WeakPolarHBondContact O-CG 3.49Å; C400-M404 PolarHBondContact O-N 3.06Å
401T93.6Very high90.2Very high1 Ų148.5 Ų48.51%0.00622%0.222CC..Hα-helixtrans-67-35.1178.349.30000112E397 D398 Y403 M404 A405 L439 D442 I443 H446E397-T401 PolarHBondContact O-N 2.81Å; E397-T401 PolarHBondContact O-OG1 2.99Å; D398-T401 WeakPolarHBondContact CA-OG1 3.32Å; D398-T401 PolarHBondContact O-N 2.81Å; D398-T401 PolarHBondContact O-OG1 3.24Å; T401-Y403 VanDerWaalsContact C-N 3.34Å; T401-M404 PolarHBondContact O-N 2.9Å; T401-A405 WeakPolarHBondContact O-CB 3.46Å; T401-A405 PolarHBondContact O-N 2.59Å; T401-L439 HydrophobicContact CG2-CD1 4.01Å; T401-D442 HydrophobicContact CG2-CB 3.86Å; T401-I443 HydrophobicContact CG2-CG1 4.47Å; T401-H446 PolarHBondContact OG1-CD2 3.17Å; T401-H446 PolarHBondContact OG1-NE2 3.41Å
402E91.9Very high90.4Very high75 Ų7548.3 Ų48.335%0.3522%0.223SC..Hα-helixtrans-62.6-41.4171.4-163.9-156.6146.500111.3D398 C400 K406 H446D398-E402 VanDerWaalsContact O-CB 3.29Å; D398-E402 WeakPolarHBondContact O-CB 3.3Å; D398-E402 PolarHBondContact O-N 3.5Å; C400-E402 VanDerWaalsContact C-N 3.33Å; C400-E402 PolarHBondContact O-N 2.79Å; E402-K406 WeakPolarHBondContact O-CG 3.42Å; E402-K406 WeakPolarHBondContact OE1-CE 3.49Å; E402-K406 IonicContact OE1-NZ 3.96Å; E402-K406 PolarHBondContact OE1-NZ 3.05Å; E402-H446 PolarHBondContact N-CD2 2.85Å
403Y95Very high90.7Very high62 Ų6249.1 Ų49.124%0.24323%0.234CC..Hα-helixtrans-67.5-48175.1-171.3-83.3000111.4L376 D377 E378 V381 Q399 C400 T401 A405 K406 V407L376-Y403 HydrophobicContact CB-CD2 4.29Å; D377-Y403 WeakPolarHBondContact CA-OH 3.43Å; E378-Y403 PolarHBondContact N-OH 2.66Å; V381-Y403 HydrophobicContact CB-CD1 3.98Å; V381-Y403 HydrophobicContact CB-CE1 4.4Å; V381-Y403 HydrophobicContact CG1-CD1 4.2Å; V381-Y403 HydrophobicContact CG1-CE1 4.46Å; V381-Y403 HydrophobicContact CG2-CD1 3.79Å; V381-Y403 HydrophobicContact CG2-CG 4.3Å; Q399-Y403 WeakPolarHBondContact O-CB 3.19Å; Q399-Y403 PolarHBondContact O-N 2.86Å; Q399-Y403 VanDerWaalsContact O-N 3.07Å; C400-Y403 PolarHBondContact O-N 2.88Å; T401-Y403 VanDerWaalsContact C-N 3.34Å; Y403-A405 VanDerWaalsContact C-N 3.27Å; Y403-A405 PolarHBondContact O-N 2.84Å; Y403-K406 WeakPolarHBondContact O-CB 3.47Å; Y403-K406 PolarHBondContact O-N 2.84Å; Y403-V407 HydrophobicContact CD1-CG2 3.93Å; Y403-V407 HydrophobicContact CE1-CG1 4.14Å; Y403-V407 HydrophobicContact CE1-CG2 3.8Å; Y403-V407 WeakPolarHBondContact O-CG2 3.3Å; Y403-V407 PolarHBondContact O-N 2.7Å
404M95.8Very high91.3Very high0 Ų051.3 Ų51.30%024%0.241CC..Hα-helixtrans-55.7-42.3177.5-70.6175.5-175.800111.6V381 V382 W385 C400 T401 K406 V407 I408 L411 F417 L439 I443V381-M404 HydrophobicContact CG1-CE 4.43Å; V381-M404 HydrophobicContact CG1-CG 4.13Å; V381-M404 HydrophobicContact CG2-CE 3.94Å; V381-M404 HydrophobicContact CG2-CG 3.74Å; V381-M404 WeakPolarHBondContact O-CE 3.17Å; V382-M404 HydrophobicContact CB-CE 4.45Å; V382-M404 HydrophobicContact CG2-CE 4.22Å; W385-M404 HydrophobicContact CB-CE 3.46Å; W385-M404 VanDerWaalsContact CB-CE 3.46Å; W385-M404 HydrophobicContact CD2-CE 4.32Å; W385-M404 HydrophobicContact CG-CE 3.77Å; C400-M404 WeakPolarHBondContact O-CB 3.43Å; C400-M404 VanDerWaalsContact O-CG 3.24Å; C400-M404 WeakPolarHBondContact O-CG 3.49Å; C400-M404 PolarHBondContact O-N 3.06Å; T401-M404 PolarHBondContact O-N 2.9Å; M404-K406 PolarHBondContact O-N 2.9Å; M404-V407 CarbonylContact O-C 3.59Å; M404-V407 PolarHBondContact O-N 3.13Å; M404-V407 VanDerWaalsContact O-N 3.09Å; M404-I408 WeakPolarHBondContact O-CA 3.35Å; M404-I408 WeakPolarHBondContact O-CB 3.39Å; M404-I408 PolarHBondContact O-N 3.08Å; M404-L411 HydrophobicContact CB-CD1 3.67Å; M404-L411 HydrophobicContact CG-CD1 3.63Å; M404-F417 HydrophobicContact SD-CE2 4.17Å; M404-L439 HydrophobicContact SD-CD1 3.95Å; M404-I443 HydrophobicContact CB-CD1 4.12Å; M404-I443 HydrophobicContact CB-CG1 4.21Å; M404-I443 HydrophobicContact SD-CD1 4.14Å
405A93.1Very high91.8Very high4 Ų457 Ų573%0.03326%0.259CS..Hα-helixtrans-57.4-32.1175.600000113.2T401 Y403 I443 H446 V447 R463T401-A405 WeakPolarHBondContact O-CB 3.46Å; T401-A405 PolarHBondContact O-N 2.59Å; Y403-A405 VanDerWaalsContact C-N 3.27Å; Y403-A405 PolarHBondContact O-N 2.84Å; A405-I443 HydrophobicContact CB-CG2 4.2Å; A405-H446 HydrophobicContact CB-CB 3.64Å; A405-V447 HydrophobicContact CB-CG2 3.71Å; A405-R463 WeakPolarHBondContact O-CD 3.48Å
406K91.9Very high92.4Very high106 Ų10653.1 Ų53.146%0.46125%0.248SC..Hα-helixtrans-74.8-31.5177.8-65.8167-171.7165.20112.5E402 Y403 M404E402-K406 WeakPolarHBondContact O-CG 3.42Å; E402-K406 WeakPolarHBondContact OE1-CE 3.49Å; E402-K406 IonicContact OE1-NZ 3.96Å; E402-K406 PolarHBondContact OE1-NZ 3.05Å; Y403-K406 WeakPolarHBondContact O-CB 3.47Å; Y403-K406 PolarHBondContact O-N 2.84Å; M404-K406 PolarHBondContact O-N 2.9Å
407V94.1Very high92.8Very high23 Ų2353 Ų5314%0.13925%0.247CC..Hα-helixtrans-113.313.9-174.3-61.40000113.7E378 Y403 M404 E409 K410 L411E378-V407 HydrophobicContact CG-CG1 4.22Å; Y403-V407 HydrophobicContact CD1-CG2 3.93Å; Y403-V407 HydrophobicContact CE1-CG1 4.14Å; Y403-V407 HydrophobicContact CE1-CG2 3.8Å; Y403-V407 WeakPolarHBondContact O-CG2 3.3Å; Y403-V407 PolarHBondContact O-N 2.7Å; M404-V407 CarbonylContact O-C 3.59Å; M404-V407 PolarHBondContact O-N 3.13Å; M404-V407 VanDerWaalsContact O-N 3.09Å; V407-E409 PolarHBondContact O-N 3.25Å; V407-E409 VanDerWaalsContact O-N 3.12Å; V407-K410 PolarHBondContact O-N 3.35Å; V407-L411 HydrophobicContact CG2-CD1 3.68Å; V407-L411 HydrophobicContact CG2-CD2 4.47Å; V407-L411 HydrophobicContact CG2-CG 3.85Å; V407-L411 PolarHBondContact O-N 3.25Å
408I94.4Very high93Very high1 Ų151.9 Ų51.91%0.00524%0.243CC..Hα-helixtrans-57.6-34.9-169.1-169.858.5000113.4M404 K410 L411 V412 F417 I443 R463 L467M404-I408 WeakPolarHBondContact O-CA 3.35Å; M404-I408 WeakPolarHBondContact O-CB 3.39Å; M404-I408 PolarHBondContact O-N 3.08Å; I408-K410 PolarHBondContact O-N 3.36Å; I408-K410 VanDerWaalsContact O-N 3.14Å; I408-L411 HydrophobicContact CD1-CB 4.29Å; I408-L411 PolarHBondContact O-N 2.97Å; I408-L411 VanDerWaalsContact O-N 3.08Å; I408-V412 HydrophobicContact CD1-CG1 4Å; I408-V412 HydrophobicContact CG1-CG1 4.08Å; I408-V412 WeakPolarHBondContact O-CG1 3.28Å; I408-V412 PolarHBondContact O-N 2.93Å; I408-V412 VanDerWaalsContact O-N 3.08Å; I408-F417 HydrophobicContact CD1-CE1 3.76Å; I408-F417 HydrophobicContact CD1-CE2 4.4Å; I408-F417 HydrophobicContact CD1-CZ 3.57Å; I408-I443 HydrophobicContact CD1-CD1 4.44Å; I408-I443 HydrophobicContact CD1-CG2 4.39Å; I408-I443 HydrophobicContact CG1-CG2 4.43Å; I408-R463 HydrophobicContact CG2-CB 3.52Å; I408-R463 HydrophobicContact CG2-CG 3.65Å; I408-L467 HydrophobicContact CD1-CD1 4.13Å; I408-L467 HydrophobicContact CG1-CB 4.38Å; I408-L467 HydrophobicContact CG1-CD1 4.45Å
409E92.3Very high93.4Very high77 Ų7752.4 Ų52.436%0.3624%0.243SC..Hα-helixtrans-57.6-29.8178.1-63.2-178-172.800113.1V407 V412 Q462 R463V407-E409 PolarHBondContact O-N 3.25Å; V407-E409 VanDerWaalsContact O-N 3.12Å; E409-V412 WeakPolarHBondContact O-CG2 3.39Å; E409-Q462 WeakPolarHBondContact OE1-CG 3.37Å; E409-Q462 PolarHBondContact OE1-NE2 3.16Å; E409-Q462 PolarHBondContact OE2-NE2 3.02Å; E409-R463 HydrophobicContact CG-CG 4.18Å
410K92.4Very high93.6Very high115 Ų11549.9 Ų49.950%0.523%0.232SC..Hα-helixtrans-89.9-35.6174.9-61.1179177.4-179.40112.2E378 V407 I408 V412 E413E378-K410 IonicContact OE1-NZ 3.03Å; E378-K410 PolarHBondContact OE1-NZ 2.78Å; E378-K410 VanDerWaalsContact OE2-CD 3.27Å; E378-K410 WeakPolarHBondContact OE2-CD 3.37Å; E378-K410 IonicContact OE2-NZ 2.71Å; E378-K410 PolarHBondContact OE2-NZ 2.76Å; V407-K410 PolarHBondContact O-N 3.35Å; I408-K410 PolarHBondContact O-N 3.36Å; I408-K410 VanDerWaalsContact O-N 3.14Å; K410-V412 VanDerWaalsContact C-N 3.32Å; K410-V412 PolarHBondContact O-N 3.09Å; K410-E413 PolarHBondContact O-N 3.06Å
411L93.1Very high93.4Very high1 Ų149.9 Ų49.91%0.00523%0.232CC..Hα-helixtrans-67-33-175.9-72.1180000112.7V381 V382 M404 V407 I408 E413 R414 F417V381-L411 HydrophobicContact CG1-CD1 4.32Å; V381-L411 HydrophobicContact CG1-CD2 4.19Å; V382-L411 HydrophobicContact CG2-CD2 4.33Å; M404-L411 HydrophobicContact CB-CD1 3.67Å; M404-L411 HydrophobicContact CG-CD1 3.63Å; V407-L411 HydrophobicContact CG2-CD1 3.68Å; V407-L411 HydrophobicContact CG2-CD2 4.47Å; V407-L411 HydrophobicContact CG2-CG 3.85Å; V407-L411 PolarHBondContact O-N 3.25Å; I408-L411 HydrophobicContact CD1-CB 4.29Å; I408-L411 PolarHBondContact O-N 2.97Å; I408-L411 VanDerWaalsContact O-N 3.08Å; L411-E413 PolarHBondContact O-N 3.35Å; L411-E413 VanDerWaalsContact O-N 3.16Å; L411-R414 WeakPolarHBondContact O-CB 3.24Å; L411-R414 PolarHBondContact O-N 3.44Å; L411-F417 HydrophobicContact CB-CD1 4.22Å; L411-F417 HydrophobicContact CB-CD2 4.41Å; L411-F417 HydrophobicContact CB-CG 4.12Å; L411-F417 WeakPolarHBondContact O-CB 3.36Å; L411-F417 WeakPolarHBondContact O-CD1 3.46Å
412V92.9Very high93.3Very high23 Ų2353.8 Ų53.814%0.13925%0.249CC..THydrogen-bonded Turntrans-61.7-22.4-180-66.40000113.6I408 E409 K410 F417 A466 L470I408-V412 HydrophobicContact CD1-CG1 4Å; I408-V412 HydrophobicContact CG1-CG1 4.08Å; I408-V412 WeakPolarHBondContact O-CG1 3.28Å; I408-V412 PolarHBondContact O-N 2.93Å; I408-V412 VanDerWaalsContact O-N 3.08Å; E409-V412 WeakPolarHBondContact O-CG2 3.39Å; K410-V412 VanDerWaalsContact C-N 3.32Å; K410-V412 PolarHBondContact O-N 3.09Å; V412-F417 HydrophobicContact CG1-CE1 4.32Å; V412-A466 HydrophobicContact CG2-CB 4.34Å; V412-L470 HydrophobicContact CB-CB 4.16Å; V412-L470 HydrophobicContact CB-CD2 4.22Å; V412-L470 HydrophobicContact CG1-CB 4.03Å; V412-L470 HydrophobicContact CG1-CD2 3.98Å
413E91.5Very high93.2Very high173 Ų17355 Ų5581%0.80825%0.254SS*.THydrogen-bonded Turntrans-84.4-12.4176.9-59.5-173.3163.300113K410 L411K410-E413 PolarHBondContact O-N 3.06Å; L411-E413 PolarHBondContact O-N 3.35Å; L411-E413 VanDerWaalsContact O-N 3.16Å
414R94.2Very high92.8Very high63 Ų6352.8 Ų52.824%0.23825%0.246CC..  trans-89.6132.4-174.6-60.6174.357.9123-3.7112.5E378 D379 L411 D416 F417 V418E378-R414 PolarHBondContact O-NH1 3.13Å; D379-R414 PolarHBondContact O-NH2 3.06Å; D379-R414 IonicContact OD1-CZ 3.5Å; D379-R414 IonicContact OD1-NH1 3.74Å; D379-R414 PolarHBondContact OD1-NH1 2.85Å; D379-R414 IonicContact OD1-NH2 2.88Å; L411-R414 WeakPolarHBondContact O-CB 3.24Å; L411-R414 PolarHBondContact O-N 3.44Å; R414-D416 VanDerWaalsContact C-N 3.31Å; R414-D416 WeakPolarHBondContact CB-OD1 3.43Å; R414-D416 IonicContact CZ-OD1 3.33Å; R414-D416 IonicContact CZ-OD2 3.43Å; R414-D416 IonicContact NE-OD1 3.6Å; R414-D416 PolarHBondContact NE-OD1 3.13Å; R414-D416 IonicContact NE-OD2 3.64Å; R414-D416 PolarHBondContact NE-OD2 2.86Å; R414-D416 IonicContact NH2-OD1 3.16Å; R414-D416 IonicContact NH2-OD2 2.67Å; R414-D416 PolarHBondContact NH2-OD2 2.85Å; R414-D416 PolarHBondContact O-N 2.83Å; R414-F417 HydrophobicContact CB-CB 4.49Å; R414-F417 PolarHBondContact O-N 3.25Å; R414-V418 WeakPolarHBondContact O-CG2 3.18Å; R414-V418 PolarHBondContact O-N 3.46Å; R414-V418 VanDerWaalsContact O-N 3.15Å
415E93Very high92.4Very high167 Ų16753.3 Ų53.378%0.7825%0.25SS*.Hα-helixtrans-59.9-37.4179.3-65-172.8168.300113.2F417 V418 E419E415-F417 PolarHBondContact O-N 3.2Å; E415-V418 PolarHBondContact O-N 3.27Å; E415-E419 WeakPolarHBondContact O-CG 3.33Å; E415-E419 PolarHBondContact O-N 3.42Å
416D94.6Very high92Very high44 Ų4456.3 Ų56.324%0.23528%0.275CS..Hα-helixtrans-65.2-38.7-178.262.5-18.8000113.1R386 R414 A420R386-D416 PolarHBondContact NH2-O 3.2Å; R414-D416 VanDerWaalsContact C-N 3.31Å; R414-D416 WeakPolarHBondContact CB-OD1 3.43Å; R414-D416 IonicContact CZ-OD1 3.33Å; R414-D416 IonicContact CZ-OD2 3.43Å; R414-D416 IonicContact NE-OD1 3.6Å; R414-D416 PolarHBondContact NE-OD1 3.13Å; R414-D416 IonicContact NE-OD2 3.64Å; R414-D416 PolarHBondContact NE-OD2 2.86Å; R414-D416 IonicContact NH2-OD1 3.16Å; R414-D416 IonicContact NH2-OD2 2.67Å; R414-D416 PolarHBondContact NH2-OD2 2.85Å; R414-D416 PolarHBondContact O-N 2.83Å; D416-A420 PolarHBondContact O-N 3.4Å; D416-A420 VanDerWaalsContact O-N 3.12Å
417F95.7Very high91.5Very high1 Ų153.6 Ų53.60%0.00427%0.272CS..Hα-helixtrans-68.7-43.1173.6-178.1-108.4000111.5V382 M404 I408 L411 V412 R414 E415 E419 A420 V421 L439 I443 L467 L470V382-F417 HydrophobicContact CG2-CB 4.11Å; V382-F417 HydrophobicContact CG2-CD2 4.16Å; M404-F417 HydrophobicContact SD-CE2 4.17Å; I408-F417 HydrophobicContact CD1-CE1 3.76Å; I408-F417 HydrophobicContact CD1-CE2 4.4Å; I408-F417 HydrophobicContact CD1-CZ 3.57Å; L411-F417 HydrophobicContact CB-CD1 4.22Å; L411-F417 HydrophobicContact CB-CD2 4.41Å; L411-F417 HydrophobicContact CB-CG 4.12Å; L411-F417 WeakPolarHBondContact O-CB 3.36Å; L411-F417 WeakPolarHBondContact O-CD1 3.46Å; V412-F417 HydrophobicContact CG1-CE1 4.32Å; R414-F417 HydrophobicContact CB-CB 4.49Å; R414-F417 PolarHBondContact O-N 3.25Å; E415-F417 PolarHBondContact O-N 3.2Å; F417-E419 VanDerWaalsContact C-N 3.33Å; F417-E419 PolarHBondContact O-N 3.39Å; F417-A420 WeakPolarHBondContact O-CB 3.25Å; F417-A420 PolarHBondContact O-N 3.14Å; F417-A420 VanDerWaalsContact O-N 3.16Å; F417-V421 HydrophobicContact CD1-CG2 4.4Å; F417-V421 HydrophobicContact CE1-CG2 3.98Å; F417-V421 HydrophobicContact CE2-CG2 4.33Å; F417-V421 HydrophobicContact CZ-CG2 3.94Å; F417-V421 WeakPolarHBondContact O-CG2 3.43Å; F417-V421 PolarHBondContact O-N 2.95Å; F417-L439 HydrophobicContact CE2-CD2 4.31Å; F417-I443 HydrophobicContact CE2-CD1 3.87Å; F417-I443 HydrophobicContact CZ-CD1 3.82Å; F417-L467 HydrophobicContact CE1-CD1 4.43Å; F417-L467 HydrophobicContact CZ-CD1 4.39Å; F417-L470 HydrophobicContact CD1-CD2 3.86Å; F417-L470 HydrophobicContact CE1-CD2 3.58Å
418V93.7Very high90.6Very high22 Ų2253.1 Ų53.113%0.13327%0.27CS..Hα-helixtrans-58.9-45.4176.8173.70000111.4R414 E415 A420 V421 K422 L470 I474R414-V418 WeakPolarHBondContact O-CG2 3.18Å; R414-V418 PolarHBondContact O-N 3.46Å; R414-V418 VanDerWaalsContact O-N 3.15Å; E415-V418 PolarHBondContact O-N 3.27Å; V418-A420 VanDerWaalsContact C-N 3.35Å; V418-V421 PolarHBondContact O-N 2.97Å; V418-K422 HydrophobicContact CG1-CD 4.43Å; V418-K422 WeakPolarHBondContact O-CG 3.41Å; V418-K422 PolarHBondContact O-N 2.71Å; V418-K422 VanDerWaalsContact O-N 3.08Å; V418-L470 HydrophobicContact CG2-CD1 3.61Å; V418-L470 HydrophobicContact CG2-CD2 4.47Å; V418-I474 HydrophobicContact CG1-CG2 3.85Å
419E93.8Very high89.1Confident88 Ų8857 Ų5741%0.41130%0.302SS..Hα-helixtrans-64.6-38.9176.3-68.7-56.4118.500111.8E415 F417 V421 K422 E423E415-E419 WeakPolarHBondContact O-CG 3.33Å; E415-E419 PolarHBondContact O-N 3.42Å; F417-E419 VanDerWaalsContact C-N 3.33Å; F417-E419 PolarHBondContact O-N 3.39Å; E419-V421 VanDerWaalsContact C-N 3.35Å; E419-V421 PolarHBondContact O-N 2.7Å; E419-K422 PolarHBondContact O-N 2.92Å; E419-K422 IonicContact OE1-NZ 2.97Å; E419-K422 PolarHBondContact OE1-NZ 3.1Å; E419-E423 WeakPolarHBondContact O-CB 3.4Å; E419-E423 VanDerWaalsContact O-CG 3.26Å; E419-E423 WeakPolarHBondContact O-CG 3.36Å; E419-E423 PolarHBondContact O-N 3Å
420A92.6Very high87.7Confident1 Ų157.6 Ų57.61%0.00832%0.32CS..Hα-helixtrans-60.5-42.3175.300000112.3V382 W385 D416 F417 V418 E423 E424 L439V382-A420 HydrophobicContact CG1-CB 4.03Å; W385-A420 HydrophobicContact CZ3-CB 4.02Å; D416-A420 PolarHBondContact O-N 3.4Å; D416-A420 VanDerWaalsContact O-N 3.12Å; F417-A420 WeakPolarHBondContact O-CB 3.25Å; F417-A420 PolarHBondContact O-N 3.14Å; F417-A420 VanDerWaalsContact O-N 3.16Å; V418-A420 VanDerWaalsContact C-N 3.35Å; A420-E423 PolarHBondContact O-N 2.93Å; A420-E424 WeakPolarHBondContact O-CG 3.38Å; A420-E424 PolarHBondContact O-N 3.21Å; A420-E424 VanDerWaalsContact O-N 3.08Å; A420-L439 HydrophobicContact CB-CD2 4.31Å
421V92.4Very high86.3Confident0 Ų058.8 Ų58.80%032%0.321CS..Hα-helixtrans-64.7-42176.6174.90000111.4F417 V418 E419 E424 A425 I437 L439 V440 L471 I474 L476F417-V421 HydrophobicContact CD1-CG2 4.4Å; F417-V421 HydrophobicContact CE1-CG2 3.98Å; F417-V421 HydrophobicContact CE2-CG2 4.33Å; F417-V421 HydrophobicContact CZ-CG2 3.94Å; F417-V421 WeakPolarHBondContact O-CG2 3.43Å; F417-V421 PolarHBondContact O-N 2.95Å; V418-V421 PolarHBondContact O-N 2.97Å; E419-V421 VanDerWaalsContact C-N 3.35Å; E419-V421 PolarHBondContact O-N 2.7Å; V421-E424 PolarHBondContact O-N 3.4Å; V421-A425 WeakPolarHBondContact O-CB 3.4Å; V421-A425 PolarHBondContact O-N 2.85Å; V421-I437 HydrophobicContact CG1-CD1 4.49Å; V421-L439 HydrophobicContact CG2-CD2 4.03Å; V421-V440 HydrophobicContact CG1-CG2 4.13Å; V421-L471 HydrophobicContact CG1-CD2 3.96Å; V421-I474 HydrophobicContact CB-CD1 4.45Å; V421-I474 HydrophobicContact CG1-CD1 3.84Å; V421-L476 HydrophobicContact CG1-CD1 4.32Å
422K90.9Very high84.4Confident84 Ų8466.7 Ų66.737%0.36536%0.358SS..Hα-helixtrans-63.9-42.2176.3-70.7174.8-170.91640112.3V418 E419 E424 A425 A426V418-K422 HydrophobicContact CG1-CD 4.43Å; V418-K422 WeakPolarHBondContact O-CG 3.41Å; V418-K422 PolarHBondContact O-N 2.71Å; V418-K422 VanDerWaalsContact O-N 3.08Å; E419-K422 PolarHBondContact O-N 2.92Å; E419-K422 IonicContact OE1-NZ 2.97Å; E419-K422 PolarHBondContact OE1-NZ 3.1Å; K422-E424 VanDerWaalsContact C-N 3.32Å; K422-E424 PolarHBondContact O-N 3.44Å; K422-A425 PolarHBondContact O-N 3.11Å; K422-A426 WeakPolarHBondContact O-CB 3.4Å; K422-A426 PolarHBondContact O-N 2.91Å
423E89.6Confident82.3Confident101 Ų10175.3 Ų75.347%0.47240%0.397SS..Hα-helixtrans-58.2-45.2175.8-75169.6164.200110.9R386 E419 A420 A426 A427R386-E423 IonicContact CZ-OE2 2.64Å; R386-E423 IonicContact NE-OE2 3.12Å; R386-E423 PolarHBondContact NE-OE2 3.22Å; R386-E423 IonicContact NH2-OE1 3.21Å; R386-E423 IonicContact NH2-OE2 3.53Å; R386-E423 PolarHBondContact NH2-OE2 3.06Å; E419-E423 WeakPolarHBondContact O-CB 3.4Å; E419-E423 VanDerWaalsContact O-CG 3.26Å; E419-E423 WeakPolarHBondContact O-CG 3.36Å; E419-E423 PolarHBondContact O-N 3Å; A420-E423 PolarHBondContact O-N 2.93Å; E423-A426 PolarHBondContact O-N 3Å; E423-A427 PolarHBondContact O-N 3.18Å
424E87.9Confident80.6Confident15 Ų1573.1 Ų73.17%0.0740%0.396CS..Hα-helixtrans-64.5-45.9176.4-71.4-60.692.800112.6W385 K389 A420 V421 K422 A426 A427 V428 I437 L439W385-E424 HydrophobicContact CH2-CG 3.67Å; W385-E424 HydrophobicContact CZ2-CG 4.33Å; K389-E424 IonicContact NZ-OE1 3.65Å; K389-E424 PolarHBondContact NZ-OE1 2.73Å; K389-E424 IonicContact NZ-OE2 2.74Å; K389-E424 PolarHBondContact NZ-OE2 3.37Å; A420-E424 WeakPolarHBondContact O-CG 3.38Å; A420-E424 PolarHBondContact O-N 3.21Å; A420-E424 VanDerWaalsContact O-N 3.08Å; V421-E424 PolarHBondContact O-N 3.4Å; K422-E424 VanDerWaalsContact C-N 3.32Å; K422-E424 PolarHBondContact O-N 3.44Å; E424-A426 VanDerWaalsContact C-N 3.3Å; E424-A426 PolarHBondContact O-N 3.36Å; E424-A427 PolarHBondContact O-N 3.41Å; E424-V428 WeakPolarHBondContact O-CG2 3.14Å; E424-V428 PolarHBondContact O-N 2.98Å; E424-I437 HydrophobicContact CB-CG2 3.61Å; E424-L439 HydrophobicContact CG-CB 3.93Å; E424-L439 HydrophobicContact CG-CD2 4.39Å
425A86.4Confident78.9Confident11 Ų1174.1 Ų74.19%0.09141%0.406CS..Hα-helixtrans-61.2-40.5178.100000111.8V421 K422 V428 A429 I437 L476V421-A425 WeakPolarHBondContact O-CB 3.4Å; V421-A425 PolarHBondContact O-N 2.85Å; K422-A425 PolarHBondContact O-N 3.11Å; A425-V428 PolarHBondContact O-N 2.66Å; A425-A429 WeakPolarHBondContact O-CB 3.33Å; A425-A429 PolarHBondContact O-N 2.81Å; A425-I437 HydrophobicContact CB-CD1 3.87Å; A425-I437 HydrophobicContact CB-CG1 4.12Å; A425-L476 HydrophobicContact CB-CD1 3.43Å; A425-L476 VanDerWaalsContact CB-CD1 3.43Å; A425-L476 HydrophobicContact CB-CD2 3.79Å; A425-L476 HydrophobicContact CB-CG 4.27Å
426A85.4Confident78Confident67 Ų6769 Ų6955%0.55439%0.389SS*.Hα-helixtrans-64.8-39.6175.600000112.4K422 E423 E424 V428 A429K422-A426 WeakPolarHBondContact O-CB 3.4Å; K422-A426 PolarHBondContact O-N 2.91Å; E423-A426 PolarHBondContact O-N 3Å; E424-A426 VanDerWaalsContact C-N 3.3Å; E424-A426 PolarHBondContact O-N 3.36Å; A426-V428 PolarHBondContact O-N 2.93Å; A426-A429 PolarHBondContact O-N 2.93Å
427A79.9Confident77.6Confident48 Ų4867.3 Ų67.340%0.39738%0.379SS..Hα-helixtrans-65.3-28.217600000112.6E423 E424E423-A427 PolarHBondContact O-N 3.18Å; E424-A427 PolarHBondContact O-N 3.41Å
428V75.3Confident77.1Confident14 Ų1469.9 Ų69.99%0.08540%0.396CS..Hα-helixtrans-84.9-37.3178.8176.10000112.3E424 A425 A426 A430 R431 D435 P438E424-V428 WeakPolarHBondContact O-CG2 3.14Å; E424-V428 PolarHBondContact O-N 2.98Å; A425-V428 PolarHBondContact O-N 2.66Å; A426-V428 PolarHBondContact O-N 2.93Å; V428-A430 PolarHBondContact O-N 3.18Å; V428-R431 WeakPolarHBondContact O-CA 3.32Å; V428-R431 WeakPolarHBondContact O-CB 3.45Å; V428-R431 PolarHBondContact O-N 3.5Å; V428-D435 HydrophobicContact CG1-CB 3.23Å; V428-D435 VanDerWaalsContact CG1-O 3.28Å; V428-D435 WeakPolarHBondContact CG1-O 3.39Å; V428-P438 HydrophobicContact CG2-CG 4.21Å
429A64.2Low76.9Confident82 Ų8268.9 Ų68.968%0.67839%0.39SS*.Hα-helixtrans-57.9-23.9177.300000113.4A425 A426 R431A425-A429 WeakPolarHBondContact O-CB 3.33Å; A425-A429 PolarHBondContact O-N 2.81Å; A426-A429 PolarHBondContact O-N 2.93Å; A429-R431 PolarHBondContact O-N 3.26Å
430A63.2Low76.7Confident90 Ų9064.7 Ų64.774%0.74437%0.37SS*.THydrogen-bonded Turntrans-70.5-9.5171.700000114.1V428V428-A430 PolarHBondContact O-N 3.18Å
431R61.1Low76.5Confident140 Ų14067.1 Ų67.153%0.52838%0.383SS..SBendtrans-124.658.4-170.4-62.5-179.3174.9155.51.4112.3V428 A429V428-R431 WeakPolarHBondContact O-CA 3.32Å; V428-R431 WeakPolarHBondContact O-CB 3.45Å; V428-R431 PolarHBondContact O-N 3.5Å; A429-R431 PolarHBondContact O-N 3.26Å
432Q54.1Low76.2Confident166 Ų16670.5 Ų70.578%0.77640%0.401SS*.  trans61.7150.6176.2-61.7-170.8-15.500115.9T434Q432-T434 PolarHBondContact O-N 3.48Å
433E49.3Very low76.2Confident204 Ų20466.5 Ų66.595%0.95338%0.384SS*.THydrogen-bonded Turntrans-72.59.2-161.7-65.9174.6160.400116.5
434T54.7Low76.2Confident128 Ų12864.7 Ų64.779%0.78537%0.373SS*.THydrogen-bonded Turntrans-124.74.2-175.1590000115Q432Q432-T434 PolarHBondContact O-N 3.48Å
435D59.1Low76.1Confident84 Ų8470.3 Ų70.345%0.44940%0.397SS..  trans-80.4127.2-177.9-81.72.8000110.2V428V428-D435 HydrophobicContact CG1-CB 3.23Å; V428-D435 VanDerWaalsContact CG1-O 3.28Å; V428-D435 WeakPolarHBondContact CG1-O 3.39Å
436S74.8Confident76.1Confident60 Ų6070.4 Ų70.442%0.4240%0.395SS..  trans-73.7151.1174.651.10000111.1P438 D441S436-P438 VanDerWaalsContact O-CD 3.23Å; S436-P438 WeakPolarHBondContact O-CD 3.32Å; S436-D441 WeakPolarHBondContact CB-OD2 3.44Å; S436-D441 PolarHBondContact OG-OD2 3.33Å
437I85.7Confident76.2Confident8 Ų867.4 Ų67.44%0.04137%0.37CS..  trans-72.5114.4-177.9-55.7169000108.7V421 E424 A425 L439 V440 D441 L471 L476V421-I437 HydrophobicContact CG1-CD1 4.49Å; E424-I437 HydrophobicContact CB-CG2 3.61Å; A425-I437 HydrophobicContact CB-CD1 3.87Å; A425-I437 HydrophobicContact CB-CG1 4.12Å; I437-L439 PolarHBondContact O-N 3.27Å; I437-V440 HydrophobicContact CB-CB 4.02Å; I437-V440 HydrophobicContact CB-CG2 3.78Å; I437-V440 HydrophobicContact CD1-CG2 4.23Å; I437-V440 HydrophobicContact CG2-CB 4.29Å; I437-V440 HydrophobicContact CG2-CG2 3.68Å; I437-V440 WeakPolarHBondContact O-CB 3.41Å; I437-V440 PolarHBondContact O-N 2.91Å; I437-D441 PolarHBondContact O-N 3.02Å; I437-L471 HydrophobicContact CD1-CD2 4.03Å; I437-L476 HydrophobicContact CD1-CB 4.47Å; I437-L476 HydrophobicContact CD1-CD1 4.15Å
438P84.6Confident76.4Confident54 Ų5468.1 Ų68.135%0.35138%0.376SS..Hα-helixtrans-55.5-48.6-171-28.935.4000113.9V428 S436 V440 D441 D442V428-P438 HydrophobicContact CG2-CG 4.21Å; S436-P438 VanDerWaalsContact O-CD 3.23Å; S436-P438 WeakPolarHBondContact O-CD 3.32Å; P438-V440 VanDerWaalsContact C-N 3.27Å; P438-V440 PolarHBondContact O-N 3.01Å; P438-D441 PolarHBondContact O-N 3.29Å; P438-D441 VanDerWaalsContact O-N 3.16Å; P438-D442 VanDerWaalsContact O-CG 3.29Å; P438-D442 PolarHBondContact O-N 2.97Å
439L89.8Confident76.6Confident1 Ų170.6 Ų70.61%0.00539%0.394CS..Hα-helixtrans-55.3-42.8177.6172.859.5000112.5W385 T401 M404 F417 A420 V421 E424 I437 I443W385-L439 HydrophobicContact CD2-CD1 4.23Å; W385-L439 HydrophobicContact CH2-CB 4.23Å; W385-L439 HydrophobicContact CH2-CD1 4.36Å; W385-L439 HydrophobicContact CH2-CD2 3.83Å; W385-L439 HydrophobicContact CH2-CG 4.37Å; W385-L439 HydrophobicContact CZ2-CB 3.89Å; W385-L439 HydrophobicContact CZ2-CD1 3.77Å; W385-L439 HydrophobicContact CZ2-CD2 4.08Å; W385-L439 HydrophobicContact CZ2-CG 4.12Å; W385-L439 HydrophobicContact CZ3-CD2 4.11Å; T401-L439 HydrophobicContact CG2-CD1 4.01Å; M404-L439 HydrophobicContact SD-CD1 3.95Å; F417-L439 HydrophobicContact CE2-CD2 4.31Å; A420-L439 HydrophobicContact CB-CD2 4.31Å; V421-L439 HydrophobicContact CG2-CD2 4.03Å; E424-L439 HydrophobicContact CG-CB 3.93Å; E424-L439 HydrophobicContact CG-CD2 4.39Å; I437-L439 PolarHBondContact O-N 3.27Å; L439-I443 HydrophobicContact CD1-CD1 3.81Å; L439-I443 HydrophobicContact CD1-CG1 4.32Å; L439-I443 HydrophobicContact CG-CD1 4.1Å; L439-I443 WeakPolarHBondContact O-CD1 3.44Å; L439-I443 VanDerWaalsContact O-CG1 3.25Å; L439-I443 WeakPolarHBondContact O-CG1 3.31Å; L439-I443 PolarHBondContact O-N 2.95Å; L439-I443 VanDerWaalsContact O-N 3.12Å
440V90.2Very high77Confident0 Ų070 Ų700%038%0.383CS..Hα-helixtrans-68.6-42.6-178.8177.10000110V421 I437 P438 I443 R444 L467 L471V421-V440 HydrophobicContact CG1-CG2 4.13Å; I437-V440 HydrophobicContact CB-CB 4.02Å; I437-V440 HydrophobicContact CB-CG2 3.78Å; I437-V440 HydrophobicContact CD1-CG2 4.23Å; I437-V440 HydrophobicContact CG2-CB 4.29Å; I437-V440 HydrophobicContact CG2-CG2 3.68Å; I437-V440 WeakPolarHBondContact O-CB 3.41Å; I437-V440 PolarHBondContact O-N 2.91Å; P438-V440 VanDerWaalsContact C-N 3.27Å; P438-V440 PolarHBondContact O-N 3.01Å; V440-I443 PolarHBondContact O-N 3.19Å; V440-R444 HydrophobicContact CG1-CG 4.47Å; V440-R444 WeakPolarHBondContact O-CB 3.43Å; V440-R444 VanDerWaalsContact O-CG 3.25Å; V440-R444 WeakPolarHBondContact O-CG 3.36Å; V440-R444 PolarHBondContact O-N 3.15Å; V440-L467 HydrophobicContact CG1-CD2 3.82Å; V440-L467 HydrophobicContact CG1-CG 4.21Å; V440-L471 HydrophobicContact CG1-CD1 3.93Å; V440-L471 HydrophobicContact CG2-CD2 4.15Å
441D87.9Confident77.7Confident52 Ų5268.2 Ų68.228%0.27836%0.362SS..Hα-helixtrans-66.6-40.6179.2-82.13.9000112.8S436 I437 P438 R444 F445S436-D441 WeakPolarHBondContact CB-OD2 3.44Å; S436-D441 PolarHBondContact OG-OD2 3.33Å; I437-D441 PolarHBondContact O-N 3.02Å; P438-D441 PolarHBondContact O-N 3.29Å; P438-D441 VanDerWaalsContact O-N 3.16Å; D441-R444 PolarHBondContact O-N 3.03Å; D441-R444 IonicContact OD1-NH1 2.75Å; D441-R444 PolarHBondContact OD1-NH1 3.05Å; D441-R444 VanDerWaalsContact OD1-NH1 3.07Å; D441-F445 WeakPolarHBondContact O-CB 3.5Å; D441-F445 PolarHBondContact O-N 3.21Å
442D86.5Confident78.2Confident71 Ų7170 Ų7038%0.3838%0.377SS..Hα-helixtrans-63-44175.8-66.9-25.1000110.4T401 P438 F445 H446T401-D442 HydrophobicContact CG2-CB 3.86Å; P438-D442 VanDerWaalsContact O-CG 3.29Å; P438-D442 PolarHBondContact O-N 2.97Å; D442-F445 WeakPolarHBondContact O-CB 3.37Å; D442-F445 PolarHBondContact O-N 3.46Å; D442-H446 PolarHBondContact O-CD2 3.43Å; D442-H446 PolarHBondContact O-N 3.05Å
443I90.3Very high79.2Confident1 Ų166.1 Ų66.11%0.00536%0.364CS..Hα-helixtrans-61.6-47.6174.4-68167.9000110.8T401 M404 A405 I408 F417 L439 V440 F445 H446 V447 L467T401-I443 HydrophobicContact CG2-CG1 4.47Å; M404-I443 HydrophobicContact CB-CD1 4.12Å; M404-I443 HydrophobicContact CB-CG1 4.21Å; M404-I443 HydrophobicContact SD-CD1 4.14Å; A405-I443 HydrophobicContact CB-CG2 4.2Å; I408-I443 HydrophobicContact CD1-CD1 4.44Å; I408-I443 HydrophobicContact CD1-CG2 4.39Å; I408-I443 HydrophobicContact CG1-CG2 4.43Å; F417-I443 HydrophobicContact CE2-CD1 3.87Å; F417-I443 HydrophobicContact CZ-CD1 3.82Å; L439-I443 HydrophobicContact CD1-CD1 3.81Å; L439-I443 HydrophobicContact CD1-CG1 4.32Å; L439-I443 HydrophobicContact CG-CD1 4.1Å; L439-I443 WeakPolarHBondContact O-CD1 3.44Å; L439-I443 VanDerWaalsContact O-CG1 3.25Å; L439-I443 WeakPolarHBondContact O-CG1 3.31Å; L439-I443 PolarHBondContact O-N 2.95Å; L439-I443 VanDerWaalsContact O-N 3.12Å; V440-I443 PolarHBondContact O-N 3.19Å; I443-F445 VanDerWaalsContact C-N 3.28Å; I443-F445 PolarHBondContact O-N 2.88Å; I443-H446 PolarHBondContact O-N 3.42Å; I443-V447 HydrophobicContact CG2-CG2 4.31Å; I443-V447 WeakPolarHBondContact O-CG2 3.36Å; I443-V447 PolarHBondContact O-N 3.18Å; I443-L467 HydrophobicContact CG2-CD2 4.1Å
444R89.1Confident80.2Confident62 Ų6266.1 Ų66.123%0.23436%0.357CS..Hα-helixtrans-57.4-42.9177-75.9171.4177.3152.8-2.8111.5V440 D441 V447 A448 L464 L467V440-R444 HydrophobicContact CG1-CG 4.47Å; V440-R444 WeakPolarHBondContact O-CB 3.43Å; V440-R444 VanDerWaalsContact O-CG 3.25Å; V440-R444 WeakPolarHBondContact O-CG 3.36Å; V440-R444 PolarHBondContact O-N 3.15Å; D441-R444 PolarHBondContact O-N 3.03Å; D441-R444 IonicContact OD1-NH1 2.75Å; D441-R444 PolarHBondContact OD1-NH1 3.05Å; D441-R444 VanDerWaalsContact OD1-NH1 3.07Å; R444-V447 PolarHBondContact O-N 3.39Å; R444-A448 WeakPolarHBondContact O-CB 3.42Å; R444-A448 PolarHBondContact O-N 2.79Å; R444-L464 HydrophobicContact CB-CD2 4.24Å; R444-L464 HydrophobicContact CG-CD2 3.84Å; R444-L467 HydrophobicContact CG-CD2 3.96Å
445F87.2Confident81.1Confident134 Ų13463.5 Ų63.559%0.58834%0.344SS*.Hα-helixtrans-58.8-49.4176.8173.8-96.9000111.1D441 D442 I443 A448 S449D441-F445 WeakPolarHBondContact O-CB 3.5Å; D441-F445 PolarHBondContact O-N 3.21Å; D442-F445 WeakPolarHBondContact O-CB 3.37Å; D442-F445 PolarHBondContact O-N 3.46Å; I443-F445 VanDerWaalsContact C-N 3.28Å; I443-F445 PolarHBondContact O-N 2.88Å; F445-A448 PolarHBondContact O-N 2.8Å; F445-S449 VanDerWaalsContact O-CB 3.31Å; F445-S449 WeakPolarHBondContact O-CB 3.46Å; F445-S449 PolarHBondContact O-N 3.03Å; F445-S449 PolarHBondContact O-OG 2.95Å
446H86.3Confident81.9Confident12 Ų1260.5 Ų60.56%0.05633%0.33CS..Hα-helixtrans-64.6-42.1178.5-70.5-65.8000112.8D398 T401 E402 A405 D442 I443 A448 S449 T450D398-H446 PolarHBondContact O-NE2 3.15Å; D398-H446 IonicContact OD1-CE1 2.63Å; D398-H446 PolarHBondContact OD1-CE1 3.42Å; D398-H446 IonicContact OD1-NE2 2.9Å; D398-H446 PolarHBondContact OD1-NE2 3.05Å; T401-H446 PolarHBondContact OG1-CD2 3.17Å; T401-H446 PolarHBondContact OG1-NE2 3.41Å; E402-H446 PolarHBondContact N-CD2 2.85Å; A405-H446 HydrophobicContact CB-CB 3.64Å; D442-H446 PolarHBondContact O-CD2 3.43Å; D442-H446 PolarHBondContact O-N 3.05Å; I443-H446 PolarHBondContact O-N 3.42Å; H446-A448 VanDerWaalsContact C-N 3.34Å; H446-A448 PolarHBondContact O-N 2.95Å; H446-S449 WeakPolarHBondContact CA-OG 3.22Å; H446-S449 PolarHBondContact O-N 3.33Å; H446-S449 PolarHBondContact O-OG 3.45Å; H446-T450 PolarHBondContact O-N 2.86Å; H446-T450 PolarHBondContact O-OG1 3.01Å
447V87.1Confident82.3Confident4 Ų460.6 Ų60.62%0.02433%0.326CS..Hα-helixtrans-57.9-46.9175.1175.30000110.8A405 I443 R444 A460 R463 L464A405-V447 HydrophobicContact CB-CG2 3.71Å; I443-V447 HydrophobicContact CG2-CG2 4.31Å; I443-V447 WeakPolarHBondContact O-CG2 3.36Å; I443-V447 PolarHBondContact O-N 3.18Å; R444-V447 PolarHBondContact O-N 3.39Å; V447-A460 HydrophobicContact CG1-CB 3.75Å; V447-A460 WeakPolarHBondContact CG1-O 3.29Å; V447-R463 HydrophobicContact CG1-CB 4.09Å; V447-R463 HydrophobicContact CG2-CB 4.33Å; V447-L464 HydrophobicContact CB-CD2 4.26Å; V447-L464 HydrophobicContact CG1-CD1 4.44Å; V447-L464 HydrophobicContact CG1-CD2 4.1Å; V447-L464 HydrophobicContact CG1-CG 3.85Å
448A83.1Confident82.1Confident63 Ų6367 Ų6752%0.52136%0.355SS..Hα-helixtrans-67.2-38178.600000112.8R444 F445 H446 T450 V451R444-A448 WeakPolarHBondContact O-CB 3.42Å; R444-A448 PolarHBondContact O-N 2.79Å; F445-A448 PolarHBondContact O-N 2.8Å; H446-A448 VanDerWaalsContact C-N 3.34Å; H446-A448 PolarHBondContact O-N 2.95Å; A448-T450 PolarHBondContact O-N 3.38Å; A448-V451 PolarHBondContact O-N 2.96Å
449S79.7Confident82.1Confident67 Ų6768.7 Ų68.747%0.46936%0.359SS..Hα-helixtrans-67.7-21.1-178.174.50000114.2F445 H446 V451F445-S449 VanDerWaalsContact O-CB 3.31Å; F445-S449 WeakPolarHBondContact O-CB 3.46Å; F445-S449 PolarHBondContact O-N 3.03Å; F445-S449 PolarHBondContact O-OG 2.95Å; H446-S449 WeakPolarHBondContact CA-OG 3.22Å; H446-S449 PolarHBondContact O-N 3.33Å; H446-S449 PolarHBondContact O-OG 3.45Å; S449-V451 VanDerWaalsContact C-N 3.32Å
450T73.3Confident81.9Confident70 Ų7069 Ų6943%0.42936%0.361SS..THydrogen-bonded Turntrans-82.7-9.4-176.8-520000112.7H446 A448 Q452H446-T450 PolarHBondContact O-N 2.86Å; H446-T450 PolarHBondContact O-OG1 3.01Å; A448-T450 PolarHBondContact O-N 3.38Å; T450-Q452 PolarHBondContact O-N 2.9Å
451V77.7Confident81.8Confident52 Ų5273.2 Ų73.232%0.31538%0.381SS..  trans-81.6104.2-171.2-1770000111.6A448 S449 I457 A460A448-V451 PolarHBondContact O-N 2.96Å; S449-V451 VanDerWaalsContact C-N 3.32Å; V451-I457 HydrophobicContact CG1-CB 4.21Å; V451-I457 HydrophobicContact CG1-CD1 4.45Å; V451-I457 HydrophobicContact CG1-CG1 3.32Å; V451-A460 HydrophobicContact CG2-CB 3.41Å; V451-A460 VanDerWaalsContact CG2-CB 3.41Å
452Q71.6Confident81.8Confident178 Ų17875.8 Ų75.883%0.83239%0.391SS*.  trans-118.4-13.7176.5-62.3-177.88.800114T450T450-Q452 PolarHBondContact O-N 2.9Å
453T75.4Confident82Confident83 Ų8374.7 Ų74.751%0.50938%0.382SS..SBendtrans-137.8161.9-174.4660000111.3S455 A456 I457T453-S455 VanDerWaalsContact C-N 3.32Å; T453-S455 PolarHBondContact O-N 2.93Å; T453-A456 WeakPolarHBondContact O-CB 3.49Å; T453-A456 PolarHBondContact O-N 3.39Å; T453-A456 VanDerWaalsContact O-N 3.08Å; T453-A456 WeakPolarHBondContact OG1-CB 3.41Å; T453-A456 PolarHBondContact OG1-N 3Å; T453-I457 WeakPolarHBondContact O-CG1 3.35Å; T453-I457 PolarHBondContact O-N 3.48Å; T453-I457 VanDerWaalsContact O-N 3.1Å
454Y70.4Confident82Confident205 Ų20577 Ų7780%0.80439%0.394SS*.Hα-helixtrans-58.7-39.3177.9-83.3-85.9000113.4A456 I457 E458Y454-A456 VanDerWaalsContact C-N 3.31Å; Y454-A456 PolarHBondContact O-N 3.03Å; Y454-I457 HydrophobicContact CD1-CD1 4.21Å; Y454-I457 WeakPolarHBondContact O-CB 3.35Å; Y454-I457 PolarHBondContact O-N 3.49Å; Y454-E458 PolarHBondContact O-N 3.17Å
455S73.1Confident82.1Confident73 Ų7380.9 Ų80.951%0.5141%0.408SS..Hα-helixtrans-63.1-38.3174.4-167.60000111.8T453 I457 E458 E459T453-S455 VanDerWaalsContact C-N 3.32Å; T453-S455 PolarHBondContact O-N 2.93Å; S455-I457 VanDerWaalsContact C-N 3.26Å; S455-I457 PolarHBondContact O-N 3.02Å; S455-E458 PolarHBondContact O-N 3.21Å; S455-E459 PolarHBondContact O-N 3.19Å
456A77Confident82.3Confident20 Ų2075.4 Ų75.417%0.16539%0.388CS..Hα-helixtrans-69.4-23.9177.100000112.7T453 Y454 A460T453-A456 WeakPolarHBondContact O-CB 3.49Å; T453-A456 PolarHBondContact O-N 3.39Å; T453-A456 VanDerWaalsContact O-N 3.08Å; T453-A456 WeakPolarHBondContact OG1-CB 3.41Å; T453-A456 PolarHBondContact OG1-N 3Å; Y454-A456 VanDerWaalsContact C-N 3.31Å; Y454-A456 PolarHBondContact O-N 3.03Å; A456-A460 WeakPolarHBondContact O-CB 3.29Å; A456-A460 PolarHBondContact O-N 3.34Å
457I82Confident82.5Confident63 Ų6375 Ų7532%0.32339%0.386SS..Hα-helixtrans-66.8-46.1173.9-64.4169.5000110.1V451 T453 Y454 S455 A460 Q461V451-I457 HydrophobicContact CG1-CB 4.21Å; V451-I457 HydrophobicContact CG1-CD1 4.45Å; V451-I457 HydrophobicContact CG1-CG1 3.32Å; T453-I457 WeakPolarHBondContact O-CG1 3.35Å; T453-I457 PolarHBondContact O-N 3.48Å; T453-I457 VanDerWaalsContact O-N 3.1Å; Y454-I457 HydrophobicContact CD1-CD1 4.21Å; Y454-I457 WeakPolarHBondContact O-CB 3.35Å; Y454-I457 PolarHBondContact O-N 3.49Å; S455-I457 VanDerWaalsContact C-N 3.26Å; S455-I457 PolarHBondContact O-N 3.02Å; I457-A460 PolarHBondContact O-N 3.12Å; I457-Q461 WeakPolarHBondContact O-CB 3.37Å; I457-Q461 VanDerWaalsContact O-CG 3.3Å; I457-Q461 WeakPolarHBondContact O-CG 3.49Å; I457-Q461 PolarHBondContact O-N 2.97Å
458E82.5Confident82.6Confident141 Ų14179.6 Ų79.666%0.65941%0.407SS*.Hα-helixtrans-65.4-45.8-179.6-69.7-177.1171.800111.5Y454 S455 A460 Q461 Q462Y454-E458 PolarHBondContact O-N 3.17Å; S455-E458 PolarHBondContact O-N 3.21Å; E458-A460 PolarHBondContact O-N 3.47Å; E458-Q461 PolarHBondContact O-N 3.28Å; E458-Q462 PolarHBondContact O-N 3.28Å
459E84.2Confident83Confident91 Ų9182 Ų8243%0.42541%0.412SS..Hα-helixtrans-61.1-42.6175.3-71.7180-161.700112.3S455 Q461 Q462 R463S455-E459 PolarHBondContact O-N 3.19Å; E459-Q461 PolarHBondContact O-N 2.99Å; E459-Q462 PolarHBondContact O-N 3.22Å; E459-R463 WeakPolarHBondContact O-CG 3.36Å; E459-R463 PolarHBondContact O-N 3.49Å; E459-R463 IonicContact OE2-NH2 2.55Å
460A85.6Confident83.5Confident6 Ų679.4 Ų79.45%0.0539%0.392CS..Hα-helixtrans-64.8-39.6177.200000112V447 V451 A456 I457 E458 Q462 R463 L464V447-A460 HydrophobicContact CG1-CB 3.75Å; V447-A460 WeakPolarHBondContact CG1-O 3.29Å; V451-A460 HydrophobicContact CG2-CB 3.41Å; V451-A460 VanDerWaalsContact CG2-CB 3.41Å; A456-A460 WeakPolarHBondContact O-CB 3.29Å; A456-A460 PolarHBondContact O-N 3.34Å; I457-A460 PolarHBondContact O-N 3.12Å; E458-A460 PolarHBondContact O-N 3.47Å; A460-Q462 VanDerWaalsContact C-N 3.33Å; A460-Q462 PolarHBondContact O-N 3.26Å; A460-R463 PolarHBondContact O-N 3.25Å; A460-L464 VanDerWaalsContact O-CG 3.29Å; A460-L464 WeakPolarHBondContact O-CG 3.42Å; A460-L464 PolarHBondContact O-N 3.04Å
461Q87.7Confident84.2Confident89 Ų8976.3 Ų76.342%0.41637%0.373SS..Hα-helixtrans-63.7-39.2174.4-75.61780.100112I457 E458 E459 L464 R465I457-Q461 WeakPolarHBondContact O-CB 3.37Å; I457-Q461 VanDerWaalsContact O-CG 3.3Å; I457-Q461 WeakPolarHBondContact O-CG 3.49Å; I457-Q461 PolarHBondContact O-N 2.97Å; E458-Q461 PolarHBondContact O-N 3.28Å; E459-Q461 PolarHBondContact O-N 2.99Å; Q461-L464 PolarHBondContact O-N 2.87Å; Q461-R465 WeakPolarHBondContact O-CB 3.31Å; Q461-R465 VanDerWaalsContact O-CG 3.29Å; Q461-R465 WeakPolarHBondContact O-CG 3.32Å; Q461-R465 PolarHBondContact O-N 2.95Å
462Q88.9Confident84.7Confident106 Ų10678.2 Ų78.250%0.49539%0.385SS..Hα-helixtrans-62.6-46.4176-175.5175.4-28.100111.5E409 E458 E459 A460 L464 R465 A466E409-Q462 WeakPolarHBondContact OE1-CG 3.37Å; E409-Q462 PolarHBondContact OE1-NE2 3.16Å; E409-Q462 PolarHBondContact OE2-NE2 3.02Å; E458-Q462 PolarHBondContact O-N 3.28Å; E459-Q462 PolarHBondContact O-N 3.22Å; A460-Q462 VanDerWaalsContact C-N 3.33Å; A460-Q462 PolarHBondContact O-N 3.26Å; Q462-L464 PolarHBondContact O-N 3.24Å; Q462-R465 PolarHBondContact O-N 3.36Å; Q462-A466 PolarHBondContact O-N 3.26Å
463R90.4Very high85.5Confident49 Ų4974 Ų7419%0.18537%0.374CS..Hα-helixtrans-60.5-42.1175.7-73.8177.2-177.4142.614.9113.1A405 I408 E409 V447 E459 A460 L467A405-R463 WeakPolarHBondContact O-CD 3.48Å; I408-R463 HydrophobicContact CG2-CB 3.52Å; I408-R463 HydrophobicContact CG2-CG 3.65Å; E409-R463 HydrophobicContact CG-CG 4.18Å; V447-R463 HydrophobicContact CG1-CB 4.09Å; V447-R463 HydrophobicContact CG2-CB 4.33Å; E459-R463 WeakPolarHBondContact O-CG 3.36Å; E459-R463 PolarHBondContact O-N 3.49Å; E459-R463 IonicContact OE2-NH2 2.55Å; A460-R463 PolarHBondContact O-N 3.25Å; R463-L467 PolarHBondContact O-N 3.35Å
464L89.8Confident86.1Confident50 Ų5072 Ų7226%0.26236%0.36SS..Hα-helixtrans-65.6-42.1176.2-71.3172.3000111.9R444 V447 A460 Q461 Q462 A466 L467 E468R444-L464 HydrophobicContact CB-CD2 4.24Å; R444-L464 HydrophobicContact CG-CD2 3.84Å; V447-L464 HydrophobicContact CB-CD2 4.26Å; V447-L464 HydrophobicContact CG1-CD1 4.44Å; V447-L464 HydrophobicContact CG1-CD2 4.1Å; V447-L464 HydrophobicContact CG1-CG 3.85Å; A460-L464 VanDerWaalsContact O-CG 3.29Å; A460-L464 WeakPolarHBondContact O-CG 3.42Å; A460-L464 PolarHBondContact O-N 3.04Å; Q461-L464 PolarHBondContact O-N 2.87Å; Q462-L464 PolarHBondContact O-N 3.24Å; L464-A466 PolarHBondContact O-N 3.49Å; L464-L467 WeakPolarHBondContact O-CB 3.33Å; L464-L467 PolarHBondContact O-N 3.45Å; L464-E468 WeakPolarHBondContact O-CG 3.47Å; L464-E468 PolarHBondContact O-N 3.29Å
465R91.8Very high86.6Confident143 Ų14365.1 Ų65.154%0.5435%0.352SS..Hα-helixtrans-61.4-43.4176.1-75.2176.4-166.7159.38.7112.2Q461 Q462 L467 E468 D469Q461-R465 WeakPolarHBondContact O-CB 3.31Å; Q461-R465 VanDerWaalsContact O-CG 3.29Å; Q461-R465 WeakPolarHBondContact O-CG 3.32Å; Q461-R465 PolarHBondContact O-N 2.95Å; Q462-R465 PolarHBondContact O-N 3.36Å; R465-L467 PolarHBondContact O-N 3.32Å; R465-E468 PolarHBondContact O-N 3.15Å; R465-E468 VanDerWaalsContact O-N 3.13Å; R465-D469 WeakPolarHBondContact O-CB 3.36Å; R465-D469 PolarHBondContact O-N 3.21Å
466A90.5Very high86.9Confident19 Ų1964 Ų6416%0.15734%0.34CS..Hα-helixtrans-57.6-40.5176.800000111.8V412 Q462 L464 L470V412-A466 HydrophobicContact CG2-CB 4.34Å; Q462-A466 PolarHBondContact O-N 3.26Å; L464-A466 PolarHBondContact O-N 3.49Å; A466-L470 PolarHBondContact O-N 3.3Å; A466-L470 VanDerWaalsContact O-N 3.16Å
467L90Very high86.4Confident2 Ų269.1 Ų69.11%0.0137%0.365CS..Hα-helixtrans-69.2-39.3176.2-174.764000112.3I408 F417 V440 I443 R444 R463 L464 R465 L470 L471I408-L467 HydrophobicContact CD1-CD1 4.13Å; I408-L467 HydrophobicContact CG1-CB 4.38Å; I408-L467 HydrophobicContact CG1-CD1 4.45Å; F417-L467 HydrophobicContact CE1-CD1 4.43Å; F417-L467 HydrophobicContact CZ-CD1 4.39Å; V440-L467 HydrophobicContact CG1-CD2 3.82Å; V440-L467 HydrophobicContact CG1-CG 4.21Å; I443-L467 HydrophobicContact CG2-CD2 4.1Å; R444-L467 HydrophobicContact CG-CD2 3.96Å; R463-L467 PolarHBondContact O-N 3.35Å; L464-L467 WeakPolarHBondContact O-CB 3.33Å; L464-L467 PolarHBondContact O-N 3.45Å; R465-L467 PolarHBondContact O-N 3.32Å; L467-L470 PolarHBondContact O-N 3.44Å; L467-L471 WeakPolarHBondContact O-CG 3.3Å; L467-L471 PolarHBondContact O-N 3.14Å; L467-L471 VanDerWaalsContact O-N 3.13Å
468E90.1Very high85Confident102 Ų10272.6 Ų72.648%0.47739%0.393SS..Hα-helixtrans-63.2-48.3174.5-73.2171.2179.100111.6L464 R465 L470 L471 V472L464-E468 WeakPolarHBondContact O-CG 3.47Å; L464-E468 PolarHBondContact O-N 3.29Å; R465-E468 PolarHBondContact O-N 3.15Å; R465-E468 VanDerWaalsContact O-N 3.13Å; E468-L470 PolarHBondContact O-N 3.09Å; E468-L471 PolarHBondContact O-N 2.72Å; E468-V472 WeakPolarHBondContact O-CG2 3.33Å; E468-V472 PolarHBondContact O-N 3.44Å
469D90.6Very high85.1Confident114 Ų11469.2 Ų69.261%0.6138%0.38SS*.Hα-helixtrans-57.2-39177.8-71.5-24.2000111.2R465 S473R465-D469 WeakPolarHBondContact O-CB 3.36Å; R465-D469 PolarHBondContact O-N 3.21Å; D469-S473 WeakPolarHBondContact O-CB 3.33Å; D469-S473 PolarHBondContact O-N 3.29Å
470L90.1Very high85.1Confident11 Ų1168.1 Ų68.16%0.05838%0.377CS..Hα-helixtrans-61.3-50.8173.2174.464.9000111.7V412 F417 V418 A466 L467 E468 V472 S473 I474V412-L470 HydrophobicContact CB-CB 4.16Å; V412-L470 HydrophobicContact CB-CD2 4.22Å; V412-L470 HydrophobicContact CG1-CB 4.03Å; V412-L470 HydrophobicContact CG1-CD2 3.98Å; F417-L470 HydrophobicContact CD1-CD2 3.86Å; F417-L470 HydrophobicContact CE1-CD2 3.58Å; V418-L470 HydrophobicContact CG2-CD1 3.61Å; V418-L470 HydrophobicContact CG2-CD2 4.47Å; A466-L470 PolarHBondContact O-N 3.3Å; A466-L470 VanDerWaalsContact O-N 3.16Å; L467-L470 PolarHBondContact O-N 3.44Å; E468-L470 PolarHBondContact O-N 3.09Å; L470-V472 VanDerWaalsContact C-N 3.3Å; L470-V472 PolarHBondContact O-N 3.11Å; L470-S473 WeakPolarHBondContact O-CB 3.49Å; L470-S473 PolarHBondContact O-N 3.4Å; L470-S473 PolarHBondContact O-OG 3.49Å; L470-I474 HydrophobicContact CD1-CG2 4.24Å; L470-I474 HydrophobicContact CG-CD1 4.39Å; L470-I474 WeakPolarHBondContact O-CG1 3.43Å; L470-I474 PolarHBondContact O-N 2.96Å; L470-I474 VanDerWaalsContact O-N 3.15Å
471L88.4Confident85.1Confident6 Ų671.5 Ų71.53%0.03140%0.396CS..Hα-helixtrans-58.9-41.8-177.9-70.5173000112.1V421 I437 V440 L467 E468 S473 I474 G475 L476V421-L471 HydrophobicContact CG1-CD2 3.96Å; I437-L471 HydrophobicContact CD1-CD2 4.03Å; V440-L471 HydrophobicContact CG1-CD1 3.93Å; V440-L471 HydrophobicContact CG2-CD2 4.15Å; L467-L471 WeakPolarHBondContact O-CG 3.3Å; L467-L471 PolarHBondContact O-N 3.14Å; L467-L471 VanDerWaalsContact O-N 3.13Å; E468-L471 PolarHBondContact O-N 2.72Å; L471-S473 VanDerWaalsContact C-N 3.35Å; L471-I474 HydrophobicContact CD2-CD1 4.38Å; L471-I474 WeakPolarHBondContact O-CG1 3.37Å; L471-I474 PolarHBondContact O-N 3.46Å; L471-G475 PolarHBondContact O-N 3.08Å; L471-L476 HydrophobicContact CD2-CB 4.34Å; L471-L476 PolarHBondContact O-N 2.97Å
472V88.5Confident85Confident92 Ų9270.5 Ų70.556%0.55840%0.395SS*.Hα-helixtrans-61.4-44.5173.7178.10000110.6E468 L470 I474 G475E468-V472 WeakPolarHBondContact O-CG2 3.33Å; E468-V472 PolarHBondContact O-N 3.44Å; L470-V472 VanDerWaalsContact C-N 3.3Å; L470-V472 PolarHBondContact O-N 3.11Å; V472-I474 PolarHBondContact O-N 3.32Å; V472-G475 PolarHBondContact O-N 2.99Å; V472-G475 VanDerWaalsContact O-N 3.15Å
473S88.4Confident84.7Confident88 Ų8868.3 Ų68.362%0.61539%0.388SS*.Hα-helixtrans-62.3-29.2-178.280.50000113.8D469 L470 L471D469-S473 WeakPolarHBondContact O-CB 3.33Å; D469-S473 PolarHBondContact O-N 3.29Å; L470-S473 WeakPolarHBondContact O-CB 3.49Å; L470-S473 PolarHBondContact O-N 3.4Å; L470-S473 PolarHBondContact O-OG 3.49Å; L471-S473 VanDerWaalsContact C-N 3.35Å
474I87.4Confident84.3Confident41 Ų4169.5 Ų69.521%0.2140%0.402CS..THydrogen-bonded Turntrans-98.15.2-179.963.8-173.2000113.6V418 V421 L470 L471 V472 L476V418-I474 HydrophobicContact CG1-CG2 3.85Å; V421-I474 HydrophobicContact CB-CD1 4.45Å; V421-I474 HydrophobicContact CG1-CD1 3.84Å; L470-I474 HydrophobicContact CD1-CG2 4.24Å; L470-I474 HydrophobicContact CG-CD1 4.39Å; L470-I474 WeakPolarHBondContact O-CG1 3.43Å; L470-I474 PolarHBondContact O-N 2.96Å; L470-I474 VanDerWaalsContact O-N 3.15Å; L471-I474 HydrophobicContact CD2-CD1 4.38Å; L471-I474 WeakPolarHBondContact O-CG1 3.37Å; L471-I474 PolarHBondContact O-N 3.46Å; V472-I474 PolarHBondContact O-N 3.32Å; I474-L476 VanDerWaalsContact C-N 3.32Å; I474-L476 HydrophobicContact CD1-CD1 3.66Å; I474-L476 HydrophobicContact CD1-CG 4.33Å; I474-L476 HydrophobicContact CG1-CB 4.12Å; I474-L476 HydrophobicContact CG1-CD1 3.88Å; I474-L476 HydrophobicContact CG1-CG 3.99Å; I474-L476 PolarHBondContact O-N 2.78Å
475G81.9Confident83.9Confident62 Ų6270.9 Ų70.964%0.63941%0.412SS*.THydrogen-bonded Turntrans71.424.9176.500000114.2L471 V472L471-G475 PolarHBondContact O-N 3.08Å; V472-G475 PolarHBondContact O-N 2.99Å; V472-G475 VanDerWaalsContact O-N 3.15Å
476L79.3Confident83.3Confident48 Ų4865.4 Ų65.425%0.25140%0.402SS..  trans-107.364.1177.3-65.8176.4000109.3V421 A425 I437 L471 I474 C478V421-L476 HydrophobicContact CG1-CD1 4.32Å; A425-L476 HydrophobicContact CB-CD1 3.43Å; A425-L476 VanDerWaalsContact CB-CD1 3.43Å; A425-L476 HydrophobicContact CB-CD2 3.79Å; A425-L476 HydrophobicContact CB-CG 4.27Å; I437-L476 HydrophobicContact CD1-CB 4.47Å; I437-L476 HydrophobicContact CD1-CD1 4.15Å; L471-L476 HydrophobicContact CD2-CB 4.34Å; L471-L476 PolarHBondContact O-N 2.97Å; I474-L476 VanDerWaalsContact C-N 3.32Å; I474-L476 HydrophobicContact CD1-CD1 3.66Å; I474-L476 HydrophobicContact CD1-CG 4.33Å; I474-L476 HydrophobicContact CG1-CB 4.12Å; I474-L476 HydrophobicContact CG1-CD1 3.88Å; I474-L476 HydrophobicContact CG1-CG 3.99Å; I474-L476 PolarHBondContact O-N 2.78Å; L476-C478 PolarHBondContact O-N 2.95Å
477D65.4Low82.7Confident129 Ų12969.3 Ų69.369%0.6942%0.422SS*.  trans-67.4119.8173.3-80.5-17.2000109.3
478C52.7Low82.1Confident136 Ų13675.4 Ų75.492%0.91946%0.46SS*.  trans-93.10167-57.50000110.2L476L476-C478 PolarHBondContact O-N 2.95Å

Retrieved 478 of 478 residues in 3816.4 ms (Link to these results)

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