A0A077Z9S5_TRITR Loading...

DUF3469 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9S5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 365 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
1M36.7Very low70.2Confident237 Ų237112.9 Ų112.9100%1.16759%0.594SS**  0119.50-74.8-172.9-172.100106.1T3M1-T3 PolarHBondContact O-N 3Å; M1-T3 VanDerWaalsContact O-N 3.12Å
2D43.1Very low71.9Confident160 Ų160110.8 Ų110.886%0.85657%0.572SS**  trans-60.1112.3-171.1-55.9-44.7000109.8V4D2-V4 PolarHBondContact O-N 3.15Å
3T48.7Very low73.2Confident137 Ų137107.9 Ų107.984%0.8455%0.554SS**  trans-69.386.3171.4490000107M1 D5M1-T3 PolarHBondContact O-N 3Å; M1-T3 VanDerWaalsContact O-N 3.12Å; T3-D5 PolarHBondContact O-N 2.99Å
4V56.9Low74Confident110 Ų110108.7 Ų108.767%0.66757%0.57SS**  trans-52.9115.9163-179.80000105.3D2 I6D2-V4 PolarHBondContact O-N 3.15Å; V4-I6 HydrophobicContact CB-CG1 4.27Å; V4-I6 HydrophobicContact CG1-CG1 4.05Å; V4-I6 WeakPolarHBondContact O-CG1 3.36Å; V4-I6 PolarHBondContact O-N 3.31Å
5D65.6Low74.6Confident159 Ų159114.3 Ų114.385%0.8558%0.581SS**  trans-7082.3179.7-165.417.3000108.1T3 N7T3-D5 PolarHBondContact O-N 2.99Å; D5-N7 PolarHBondContact O-N 3.4Å
6I77Confident75.1Confident44 Ų44108.7 Ų108.723%0.22655%0.551CS.*  trans-75.4112.5-177.5-62.2141.8000107V4 L8 W32V4-I6 HydrophobicContact CB-CG1 4.27Å; V4-I6 HydrophobicContact CG1-CG1 4.05Å; V4-I6 WeakPolarHBondContact O-CG1 3.36Å; V4-I6 PolarHBondContact O-N 3.31Å; I6-L8 VanDerWaalsContact C-N 3.33Å; I6-L8 HydrophobicContact CG2-CD2 3.67Å; I6-L8 HydrophobicContact CG2-CG 4.07Å; I6-L8 PolarHBondContact O-N 3.05Å; I6-W32 HydrophobicContact CD1-CB 4.26Å; I6-W32 HydrophobicContact CD1-CD2 4.04Å; I6-W32 HydrophobicContact CD1-CG 3.58Å; I6-W32 HydrophobicContact CG2-CD2 4.33Å; I6-W32 HydrophobicContact CG2-CH2 4.12Å; I6-W32 HydrophobicContact CG2-CZ2 3.76Å
7N86.5Confident75.4Confident79 Ų79105.1 Ų105.142%0.42254%0.536SS..  trans-69.390171.3-176.315.1000110.3D5 N9 E10D5-N7 PolarHBondContact O-N 3.4Å; N7-N9 PolarHBondContact O-N 2.96Å; N7-N9 WeakPolarHBondContact OD1-CB 3.48Å; N7-N9 PolarHBondContact OD1-N 3.3Å; N7-E10 PolarHBondContact ND2-OE1 3.17Å; N7-E10 VanDerWaalsContact ND2-OE1 3.07Å
8L89.8Confident75.8Confident5 Ų5105.7 Ų105.73%0.02654%0.541CS..G310 helixtrans-72.7-15.5179.5-68.6175.6000113.1I6 E10 Y11 W21 S25 L28 R29 W32I6-L8 VanDerWaalsContact C-N 3.33Å; I6-L8 HydrophobicContact CG2-CD2 3.67Å; I6-L8 HydrophobicContact CG2-CG 4.07Å; I6-L8 PolarHBondContact O-N 3.05Å; L8-E10 PolarHBondContact O-N 3.29Å; L8-E10 VanDerWaalsContact O-N 3.14Å; L8-Y11 HydrophobicContact CD2-CD2 4.03Å; L8-Y11 HydrophobicContact CD2-CE2 4.27Å; L8-Y11 WeakPolarHBondContact O-CD2 3.24Å; L8-Y11 PolarHBondContact O-N 3.01Å; L8-W21 HydrophobicContact CB-CH2 4.03Å; L8-W21 HydrophobicContact CB-CZ2 4.05Å; L8-W21 WeakPolarHBondContact O-CH2 3.18Å; L8-W21 WeakPolarHBondContact O-CZ2 3.4Å; L8-S25 VanDerWaalsContact CD1-O 3.25Å; L8-S25 WeakPolarHBondContact CD1-O 3.4Å; L8-L28 HydrophobicContact CD1-CB 4.07Å; L8-L28 HydrophobicContact CD2-CB 4.19Å; L8-L28 HydrophobicContact CD2-CD1 4.46Å; L8-R29 HydrophobicContact CD1-CB 3.83Å; L8-W32 HydrophobicContact CD2-CE3 3.8Å; L8-W32 HydrophobicContact CD2-CH2 4.08Å; L8-W32 HydrophobicContact CD2-CZ3 3.5Å
9N88.2Confident75.9Confident106 Ų106103.8 Ų103.857%0.56753%0.53SS*.G310 helixtrans-62.5-24.3-174.7-72.3-32.4000113.2N7 Y11 R12 W21N7-N9 PolarHBondContact O-N 2.96Å; N7-N9 WeakPolarHBondContact OD1-CB 3.48Å; N7-N9 PolarHBondContact OD1-N 3.3Å; N9-Y11 PolarHBondContact O-N 3.36Å; N9-R12 WeakPolarHBondContact O-CB 3.36Å; N9-R12 PolarHBondContact O-N 3.49Å; N9-R12 VanDerWaalsContact O-N 3.17Å; N9-W21 PolarHBondContact OD1-NE1 3.01Å
10E89.5Confident76.2Confident144 Ų14499.1 Ų99.167%0.67351%0.507SS*.G310 helixtrans-63.7-21.5174.1-66.4170.5-160.100112.8N7 L8N7-E10 PolarHBondContact ND2-OE1 3.17Å; N7-E10 VanDerWaalsContact ND2-OE1 3.07Å; L8-E10 PolarHBondContact O-N 3.29Å; L8-E10 VanDerWaalsContact O-N 3.14Å
11Y89.6Confident76.9Confident61 Ų6195.1 Ų95.124%0.23949%0.486CS..G310 helixtrans-97.9-0.3178.6-50-70.9000113.4L8 N9 Q13 R24 W32 F41L8-Y11 HydrophobicContact CD2-CD2 4.03Å; L8-Y11 HydrophobicContact CD2-CE2 4.27Å; L8-Y11 WeakPolarHBondContact O-CD2 3.24Å; L8-Y11 PolarHBondContact O-N 3.01Å; N9-Y11 PolarHBondContact O-N 3.36Å; Y11-Q13 PolarHBondContact O-N 2.96Å; Y11-R24 PolarHBondContact O-NH2 3.07Å; Y11-W32 HydrophobicContact CD2-CH2 4.42Å; Y11-W32 AromaticContact CE2-CH2 3.7Å; Y11-W32 HydrophobicContact CE2-CH2 3.7Å; Y11-W32 HydrophobicContact CE2-CZ3 4.32Å; Y11-W32 AromaticContact CZ-CH2 3.97Å; Y11-F41 AromaticContact CD1-CE1 3.84Å; Y11-F41 HydrophobicContact CD1-CE1 3.84Å; Y11-F41 HydrophobicContact CD1-CE2 4.16Å; Y11-F41 AromaticContact CD1-CZ 3.39Å; Y11-F41 HydrophobicContact CD1-CZ 3.39Å; Y11-F41 HydrophobicContact CD2-CE1 4.33Å; Y11-F41 HydrophobicContact CD2-CZ 4.32Å; Y11-F41 HydrophobicContact CE1-CE1 4.33Å; Y11-F41 HydrophobicContact CE1-CE2 4.16Å; Y11-F41 AromaticContact CE1-CZ 3.49Å; Y11-F41 HydrophobicContact CE1-CZ 3.49Å; Y11-F41 VanDerWaalsContact CE1-CZ 3.49Å; Y11-F41 HydrophobicContact CE2-CZ 4.44Å; Y11-F41 AromaticContact CG-CE1 3.84Å; Y11-F41 HydrophobicContact CG-CE1 3.84Å; Y11-F41 AromaticContact CG-CZ 3.83Å; Y11-F41 HydrophobicContact CG-CZ 3.83Å
12R91.6Very high79.4Confident88 Ų8886.9 Ų86.933%0.33245%0.446SS..  trans-66.5130.6176-176.8-179.7177.3165.32.6109.2N9 E16 D18 W21N9-R12 WeakPolarHBondContact O-CB 3.36Å; N9-R12 PolarHBondContact O-N 3.49Å; N9-R12 VanDerWaalsContact O-N 3.17Å; R12-E16 PolarHBondContact NH2-O 3.14Å; R12-D18 IonicContact CZ-OD1 3.46Å; R12-D18 VanDerWaalsContact CZ-OD1 3.29Å; R12-D18 IonicContact NH1-OD1 3.49Å; R12-D18 PolarHBondContact NH1-OD1 3.27Å; R12-D18 IonicContact NH2-OD1 3.5Å; R12-D18 PolarHBondContact NH2-OD1 3.3Å; R12-W21 HydrophobicContact CB-CD2 3.76Å; R12-W21 HydrophobicContact CB-CE3 3.96Å; R12-W21 HydrophobicContact CB-CG 4.35Å; R12-W21 HydrophobicContact CB-CH2 4.15Å; R12-W21 HydrophobicContact CB-CZ2 3.93Å; R12-W21 HydrophobicContact CB-CZ3 4.17Å; R12-W21 HydrophobicContact CG-CB 4.29Å; R12-W21 HydrophobicContact CG-CD2 3.61Å; R12-W21 HydrophobicContact CG-CE3 3.99Å; R12-W21 HydrophobicContact CG-CG 3.72Å
13Q88.4Confident81.6Confident73 Ų7379.4 Ų79.434%0.34141%0.406SS..  trans-80.4140.2174.1-58.1-60.2-40.800109.9Y11 W15 E16Y11-Q13 PolarHBondContact O-N 2.96Å; Q13-W15 HydrophobicContact CB-CD2 3.89Å; Q13-W15 VanDerWaalsContact CB-CE2 3.5Å; Q13-W15 HydrophobicContact CB-CE3 4.31Å; Q13-W15 HydrophobicContact CB-CG 4.43Å; Q13-W15 HydrophobicContact CB-CH2 4.08Å; Q13-W15 HydrophobicContact CB-CZ2 3.62Å; Q13-W15 HydrophobicContact CB-CZ3 4.4Å; Q13-W15 HydrophobicContact CG-CH2 4.24Å; Q13-W15 HydrophobicContact CG-CZ2 3.7Å; Q13-W15 PolarHBondContact O-N 3.43Å; Q13-W15 VanDerWaalsContact OE1-CZ2 3.31Å; Q13-E16 HydrophobicContact CB-CG 4.04Å; Q13-E16 WeakPolarHBondContact CB-OE2 3.29Å; Q13-E16 PolarHBondContact N-OE2 3.46Å; Q13-E16 PolarHBondContact O-N 2.68Å
14P83.8Confident83.7Confident119 Ų11973.4 Ų73.477%0.77337%0.368SS*.THydrogen-bonded Turntrans-56.8-26.1-177.4-27.233.9000114.9
15W83.4Confident85.5Confident193 Ų19368.6 Ų68.673%0.73134%0.339SS*.THydrogen-bonded Turntrans-92.6-1.2-177.955.384.5000114.3Q13Q13-W15 HydrophobicContact CB-CD2 3.89Å; Q13-W15 VanDerWaalsContact CB-CE2 3.5Å; Q13-W15 HydrophobicContact CB-CE3 4.31Å; Q13-W15 HydrophobicContact CB-CG 4.43Å; Q13-W15 HydrophobicContact CB-CH2 4.08Å; Q13-W15 HydrophobicContact CB-CZ2 3.62Å; Q13-W15 HydrophobicContact CB-CZ3 4.4Å; Q13-W15 HydrophobicContact CG-CH2 4.24Å; Q13-W15 HydrophobicContact CG-CZ2 3.7Å; Q13-W15 PolarHBondContact O-N 3.43Å; Q13-W15 VanDerWaalsContact OE1-CZ2 3.31Å
16E82.6Confident86.8Confident24 Ų2466.1 Ų66.111%0.11232%0.318CS..  trans-76.7131.3178.7-79.2177.8110.100112.2R12 Q13 W21 R24R12-E16 PolarHBondContact NH2-O 3.14Å; Q13-E16 HydrophobicContact CB-CG 4.04Å; Q13-E16 WeakPolarHBondContact CB-OE2 3.29Å; Q13-E16 PolarHBondContact N-OE2 3.46Å; Q13-E16 PolarHBondContact O-N 2.68Å; E16-W21 HydrophobicContact CB-CB 4.3Å; E16-R24 WeakPolarHBondContact OE1-CD 3.5Å; E16-R24 IonicContact OE1-CZ 3.99Å; E16-R24 IonicContact OE1-NE 3.89Å; E16-R24 PolarHBondContact OE1-NE 3.45Å; E16-R24 IonicContact OE1-NH2 2.96Å; E16-R24 PolarHBondContact OE1-NH2 3.05Å; E16-R24 IonicContact OE2-CZ 2.68Å; E16-R24 IonicContact OE2-NE 3.33Å; E16-R24 PolarHBondContact OE2-NE 2.67Å; E16-R24 IonicContact OE2-NH2 2.87Å; E16-R24 PolarHBondContact OE2-NH2 2.97Å
17T79.7Confident87.7Confident48 Ų4864 Ų6429%0.29431%0.307SS..  trans-63.9153.816864.70000110.3H19 A20 W21T17-H19 PolarHBondContact O-N 3.5Å; T17-A20 PolarHBondContact O-N 2.98Å; T17-A20 VanDerWaalsContact O-N 3.16Å; T17-A20 VanDerWaalsContact OG1-CB 3.23Å; T17-A20 WeakPolarHBondContact OG1-CB 3.18Å; T17-A20 PolarHBondContact OG1-N 2.91Å; T17-W21 WeakPolarHBondContact O-CB 3.45Å; T17-W21 PolarHBondContact O-N 3.44Å
18D82.6Confident88.2Confident115 Ų11560.2 Ų60.262%0.61529%0.287SS*.Hα-helixtrans-58.6-34.9178.3-66.8-32.2000112.1R12 N22R12-D18 IonicContact CZ-OD1 3.46Å; R12-D18 VanDerWaalsContact CZ-OD1 3.29Å; R12-D18 IonicContact NH1-OD1 3.49Å; R12-D18 PolarHBondContact NH1-OD1 3.27Å; R12-D18 IonicContact NH2-OD1 3.5Å; R12-D18 PolarHBondContact NH2-OD1 3.3Å; D18-N22 WeakPolarHBondContact O-CB 3.49Å; D18-N22 PolarHBondContact O-N 3.44Å
19H78.3Confident88.4Confident71 Ų7166.9 Ų66.933%0.32931%0.312SS..Hα-helixtrans-65.2-50.1175.3-174.5-99.5000111.9T17 W21 N22 I23 Y76T17-H19 PolarHBondContact O-N 3.5Å; H19-W21 VanDerWaalsContact C-N 3.34Å; H19-W21 PolarHBondContact O-N 2.76Å; H19-N22 PolarHBondContact O-N 3.35Å; H19-I23 WeakPolarHBondContact O-CG1 3.48Å; H19-I23 PolarHBondContact O-N 2.77Å; H19-Y76 AromaticContact CE1-CD2 3.64Å; H19-Y76 AromaticContact CE1-CE2 3.53Å; H19-Y76 AromaticContact ND1-CE2 3.75Å
20A81Confident88.6Confident9 Ų964.8 Ų64.87%0.07431%0.305CS..Hα-helixtrans-59.5-45.7177.300000111.2T17 I23 R24 M48T17-A20 PolarHBondContact O-N 2.98Å; T17-A20 VanDerWaalsContact O-N 3.16Å; T17-A20 VanDerWaalsContact OG1-CB 3.23Å; T17-A20 WeakPolarHBondContact OG1-CB 3.18Å; T17-A20 PolarHBondContact OG1-N 2.91Å; A20-I23 PolarHBondContact O-N 3.11Å; A20-R24 WeakPolarHBondContact O-CB 3.37Å; A20-R24 PolarHBondContact O-N 3.34Å; A20-M48 HydrophobicContact CB-CE 3.7Å
21W92.7Very high88.8Confident16 Ų1658 Ų586%0.06127%0.274CS..Hα-helixtrans-65.3-43.5178.6174.6-122.4000112.7L8 N9 R12 E16 T17 H19 I23 R24 S25 L28L8-W21 HydrophobicContact CB-CH2 4.03Å; L8-W21 HydrophobicContact CB-CZ2 4.05Å; L8-W21 WeakPolarHBondContact O-CH2 3.18Å; L8-W21 WeakPolarHBondContact O-CZ2 3.4Å; N9-W21 PolarHBondContact OD1-NE1 3.01Å; R12-W21 HydrophobicContact CB-CD2 3.76Å; R12-W21 HydrophobicContact CB-CE3 3.96Å; R12-W21 HydrophobicContact CB-CG 4.35Å; R12-W21 HydrophobicContact CB-CH2 4.15Å; R12-W21 HydrophobicContact CB-CZ2 3.93Å; R12-W21 HydrophobicContact CB-CZ3 4.17Å; R12-W21 HydrophobicContact CG-CB 4.29Å; R12-W21 HydrophobicContact CG-CD2 3.61Å; R12-W21 HydrophobicContact CG-CE3 3.99Å; R12-W21 HydrophobicContact CG-CG 3.72Å; E16-W21 HydrophobicContact CB-CB 4.3Å; T17-W21 WeakPolarHBondContact O-CB 3.45Å; T17-W21 PolarHBondContact O-N 3.44Å; H19-W21 VanDerWaalsContact C-N 3.34Å; H19-W21 PolarHBondContact O-N 2.76Å; W21-I23 PolarHBondContact O-N 3.2Å; W21-R24 HydrophobicContact CE3-CB 4.49Å; W21-R24 PolarHBondContact O-N 3.3Å; W21-S25 WeakPolarHBondContact O-CB 3.36Å; W21-S25 PolarHBondContact O-N 3.38Å; W21-S25 PolarHBondContact O-OG 2.96Å; W21-L28 HydrophobicContact CH2-CD1 4.3Å; W21-L28 HydrophobicContact CZ3-CD1 4.2Å
22N89.4Confident89Confident64 Ų6458.2 Ų58.234%0.34227%0.274SS..Hα-helixtrans-58.7-36177.7176.148.5000111.6D18 H19 S25 R26D18-N22 WeakPolarHBondContact O-CB 3.49Å; D18-N22 PolarHBondContact O-N 3.44Å; H19-N22 PolarHBondContact O-N 3.35Å; N22-S25 PolarHBondContact O-OG 3.31Å; N22-S25 VanDerWaalsContact O-OG 3.09Å; N22-R26 PolarHBondContact ND2-NH2 3.35Å; N22-R26 WeakPolarHBondContact O-CD 3.1Å; N22-R26 WeakPolarHBondContact O-CG 3.21Å; N22-R26 PolarHBondContact O-N 3.04Å; N22-R26 PolarHBondContact OD1-NE 3.06Å; N22-R26 PolarHBondContact OD1-NH2 3.44Å
23I88.5Confident89Confident2 Ų257.3 Ų57.31%0.0129%0.293CS..Hα-helixtrans-79.8-46.6179.3-67.4-78.2000111.1H19 A20 W21 S25 R26 F27 F47 M48 Y76H19-I23 WeakPolarHBondContact O-CG1 3.48Å; H19-I23 PolarHBondContact O-N 2.77Å; A20-I23 PolarHBondContact O-N 3.11Å; W21-I23 PolarHBondContact O-N 3.2Å; I23-S25 VanDerWaalsContact C-N 3.33Å; I23-S25 PolarHBondContact O-N 2.61Å; I23-R26 WeakPolarHBondContact O-CB 3.49Å; I23-R26 PolarHBondContact O-N 3.42Å; I23-R26 VanDerWaalsContact O-N 3.16Å; I23-F27 PolarHBondContact O-N 2.98Å; I23-F47 HydrophobicContact CG2-CE1 3.58Å; I23-F47 HydrophobicContact CG2-CZ 3.96Å; I23-M48 HydrophobicContact CG2-SD 4.15Å; I23-Y76 HydrophobicContact CB-CD2 4.18Å; I23-Y76 HydrophobicContact CD1-CD2 4.38Å; I23-Y76 HydrophobicContact CG1-CD2 3.89Å; I23-Y76 HydrophobicContact CG2-CD2 3.87Å
24R93.4Very high89.2Confident12 Ų1260.3 Ų60.35%0.04531%0.305CS..Hα-helixtrans-60.9-42176.6-165.8173.465.296.2-4.3112Y11 E16 A20 W21 R26 F27 L28 M48Y11-R24 PolarHBondContact O-NH2 3.07Å; E16-R24 WeakPolarHBondContact OE1-CD 3.5Å; E16-R24 IonicContact OE1-CZ 3.99Å; E16-R24 IonicContact OE1-NE 3.89Å; E16-R24 PolarHBondContact OE1-NE 3.45Å; E16-R24 IonicContact OE1-NH2 2.96Å; E16-R24 PolarHBondContact OE1-NH2 3.05Å; E16-R24 IonicContact OE2-CZ 2.68Å; E16-R24 IonicContact OE2-NE 3.33Å; E16-R24 PolarHBondContact OE2-NE 2.67Å; E16-R24 IonicContact OE2-NH2 2.87Å; E16-R24 PolarHBondContact OE2-NH2 2.97Å; A20-R24 WeakPolarHBondContact O-CB 3.37Å; A20-R24 PolarHBondContact O-N 3.34Å; W21-R24 HydrophobicContact CE3-CB 4.49Å; W21-R24 PolarHBondContact O-N 3.3Å; R24-R26 VanDerWaalsContact C-N 3.31Å; R24-R26 PolarHBondContact O-N 3.44Å; R24-F27 WeakPolarHBondContact O-CB 3.48Å; R24-F27 PolarHBondContact O-N 3.24Å; R24-F27 VanDerWaalsContact O-N 3.14Å; R24-L28 WeakPolarHBondContact O-CG 3.38Å; R24-L28 PolarHBondContact O-N 3.43Å; R24-M48 HydrophobicContact CB-CG 3.87Å; R24-M48 HydrophobicContact CB-SD 3.88Å; R24-M48 HydrophobicContact CG-CG 3.92Å
25S94.2Very high89.7Confident9 Ų956.7 Ų56.76%0.06328%0.28CS..Hα-helixtrans-64.3-33.4177.262.80000112.7L8 W21 N22 I23 R29L8-S25 VanDerWaalsContact CD1-O 3.25Å; L8-S25 WeakPolarHBondContact CD1-O 3.4Å; W21-S25 WeakPolarHBondContact O-CB 3.36Å; W21-S25 PolarHBondContact O-N 3.38Å; W21-S25 PolarHBondContact O-OG 2.96Å; N22-S25 PolarHBondContact O-OG 3.31Å; N22-S25 VanDerWaalsContact O-OG 3.09Å; I23-S25 VanDerWaalsContact C-N 3.33Å; I23-S25 PolarHBondContact O-N 2.61Å; S25-R29 VanDerWaalsContact O-CB 3.27Å; S25-R29 WeakPolarHBondContact O-CB 3.18Å; S25-R29 PolarHBondContact O-N 3.12Å
26R93.3Very high90.2Very high106 Ų10650.7 Ų50.740%0.427%0.268SS..Hα-helixtrans-67.6-40.8170.8-71.9170.3-168.7-166.4-1.9112N22 I23 R24 R29 S30 L72N22-R26 PolarHBondContact ND2-NH2 3.35Å; N22-R26 WeakPolarHBondContact O-CD 3.1Å; N22-R26 WeakPolarHBondContact O-CG 3.21Å; N22-R26 PolarHBondContact O-N 3.04Å; N22-R26 PolarHBondContact OD1-NE 3.06Å; N22-R26 PolarHBondContact OD1-NH2 3.44Å; I23-R26 WeakPolarHBondContact O-CB 3.49Å; I23-R26 PolarHBondContact O-N 3.42Å; I23-R26 VanDerWaalsContact O-N 3.16Å; R24-R26 VanDerWaalsContact C-N 3.31Å; R24-R26 PolarHBondContact O-N 3.44Å; R26-R29 PolarHBondContact O-N 3.19Å; R26-S30 VanDerWaalsContact O-CB 3.31Å; R26-S30 WeakPolarHBondContact O-CB 3.14Å; R26-S30 PolarHBondContact O-N 2.82Å; R26-L72 HydrophobicContact CB-CD1 4.23Å; R26-L72 HydrophobicContact CB-CD2 3.64Å; R26-L72 HydrophobicContact CG-CD2 4.47Å
27F95.8Very high90.7Very high0 Ų054.4 Ų54.40%028%0.283CS..Hα-helixtrans-59.8-46.8174-175.1-82.4000111.2I23 R24 N31 L40 L43 F47 V65 M68 A69 L72I23-F27 PolarHBondContact O-N 2.98Å; R24-F27 WeakPolarHBondContact O-CB 3.48Å; R24-F27 PolarHBondContact O-N 3.24Å; R24-F27 VanDerWaalsContact O-N 3.14Å; F27-N31 PolarHBondContact O-N 2.88Å; F27-N31 PolarHBondContact O-ND2 3.2Å; F27-L40 HydrophobicContact CD1-CD1 4.36Å; F27-L40 HydrophobicContact CE1-CD1 4.05Å; F27-L43 HydrophobicContact CE1-CB 4.41Å; F27-F47 HydrophobicContact CB-CD1 3.95Å; F27-F47 HydrophobicContact CB-CE1 4.05Å; F27-F47 HydrophobicContact CD2-CB 4.19Å; F27-F47 AromaticContact CD2-CD1 3.55Å; F27-F47 HydrophobicContact CD2-CD1 3.55Å; F27-F47 HydrophobicContact CD2-CD2 4.26Å; F27-F47 AromaticContact CD2-CE1 3.92Å; F27-F47 HydrophobicContact CD2-CE1 3.92Å; F27-F47 AromaticContact CD2-CG 3.73Å; F27-F47 HydrophobicContact CD2-CG 3.73Å; F27-F47 HydrophobicContact CD2-CZ 4.45Å; F27-F47 HydrophobicContact CE2-CB 4.04Å; F27-F47 HydrophobicContact CE2-CD1 4.23Å; F27-F47 HydrophobicContact CE2-CD2 4.33Å; F27-F47 AromaticContact CE2-CG 3.94Å; F27-F47 HydrophobicContact CE2-CG 3.94Å; F27-F47 AromaticContact CG-CD1 3.83Å; F27-F47 HydrophobicContact CG-CD1 3.83Å; F27-F47 HydrophobicContact CG-CE1 4.28Å; F27-F47 HydrophobicContact CG-CG 4.34Å; F27-F47 HydrophobicContact CZ-CB 4.35Å; F27-V65 HydrophobicContact CE2-CG1 4.46Å; F27-M68 HydrophobicContact CE1-CE 4.27Å; F27-M68 HydrophobicContact CE2-CB 3.9Å; F27-M68 HydrophobicContact CZ-CB 3.71Å; F27-M68 HydrophobicContact CZ-CE 4.21Å; F27-M68 HydrophobicContact CZ-SD 4.46Å; F27-A69 HydrophobicContact CD2-CB 4.08Å; F27-A69 HydrophobicContact CE2-CB 3.91Å; F27-L72 VanDerWaalsContact CA-CD1 3.42Å; F27-L72 HydrophobicContact CB-CD1 3.87Å; F27-L72 HydrophobicContact CD2-CD1 4.26Å
28L96.2Very high91.3Very high0 Ų058.5 Ų58.50%030%0.299CS..Hα-helixtrans-60.1-47.3175.3-68.1176.7000111.4L8 W21 R24 N31 W32 L40 F41L8-L28 HydrophobicContact CD1-CB 4.07Å; L8-L28 HydrophobicContact CD2-CB 4.19Å; L8-L28 HydrophobicContact CD2-CD1 4.46Å; W21-L28 HydrophobicContact CH2-CD1 4.3Å; W21-L28 HydrophobicContact CZ3-CD1 4.2Å; R24-L28 WeakPolarHBondContact O-CG 3.38Å; R24-L28 PolarHBondContact O-N 3.43Å; L28-N31 CarbonylContact O-C 3.59Å; L28-N31 PolarHBondContact O-N 2.99Å; L28-W32 WeakPolarHBondContact O-CA 3.3Å; L28-W32 WeakPolarHBondContact O-CB 3.5Å; L28-W32 PolarHBondContact O-N 3.44Å; L28-L40 HydrophobicContact CD2-CD1 4.3Å; L28-L40 HydrophobicContact CD2-CD2 4.09Å; L28-L40 HydrophobicContact CD2-CG 3.7Å; L28-F41 HydrophobicContact CD1-CE1 4.34Å; L28-F41 HydrophobicContact CD2-CD1 3.8Å; L28-F41 HydrophobicContact CD2-CE1 4.06Å
29R94.1Very high92Very high144 Ų14459 Ų5954%0.54329%0.293SS..Hα-helixtrans-64.2-44.3-178.7-170175.3-72.1121.6-3.5112.2L8 S25 R26 N31 W32L8-R29 HydrophobicContact CD1-CB 3.83Å; S25-R29 VanDerWaalsContact O-CB 3.27Å; S25-R29 WeakPolarHBondContact O-CB 3.18Å; S25-R29 PolarHBondContact O-N 3.12Å; R26-R29 PolarHBondContact O-N 3.19Å; R29-N31 PolarHBondContact O-N 3Å; R29-W32 PolarHBondContact O-N 2.97Å
30S92.1Very high92.8Very high62 Ų6255.7 Ų55.743%0.43428%0.277SS..Hα-helixtrans-63.9-29.2-179.4-174.70000112.5R26 K34R26-S30 VanDerWaalsContact O-CB 3.31Å; R26-S30 WeakPolarHBondContact O-CB 3.14Å; R26-S30 PolarHBondContact O-N 2.82Å; S30-K34 WeakPolarHBondContact O-CE 3.49Å; S30-K34 PolarHBondContact O-NZ 2.67Å
31N94.4Very high93.5Very high3 Ų357.8 Ų57.82%0.01629%0.285CS..THydrogen-bonded Turntrans-112.510.3-175-64.4-62.5000113.8F27 L28 R29 G33 K34 L40 M68F27-N31 PolarHBondContact O-N 2.88Å; F27-N31 PolarHBondContact O-ND2 3.2Å; L28-N31 CarbonylContact O-C 3.59Å; L28-N31 PolarHBondContact O-N 2.99Å; R29-N31 PolarHBondContact O-N 3Å; N31-G33 PolarHBondContact O-N 2.8Å; N31-K34 HydrophobicContact CB-CD 4.46Å; N31-K34 PolarHBondContact O-N 3.22Å; N31-K34 VanDerWaalsContact O-N 3.13Å; N31-K34 PolarHBondContact OD1-NZ 2.8Å; N31-L40 HydrophobicContact CB-CD1 3.65Å; N31-M68 HydrophobicContact CB-CE 3.54Å; N31-M68 PolarHBondContact ND2-O 3.43Å
32W93.7Very high93.7Very high64 Ų6461 Ų6124%0.24231%0.309CS..THydrogen-bonded Turntrans-63.9124.8-178.9-161-93.6000110.6I6 L8 Y11 L28 R29 K34 K37 L40 F41I6-W32 HydrophobicContact CD1-CB 4.26Å; I6-W32 HydrophobicContact CD1-CD2 4.04Å; I6-W32 HydrophobicContact CD1-CG 3.58Å; I6-W32 HydrophobicContact CG2-CD2 4.33Å; I6-W32 HydrophobicContact CG2-CH2 4.12Å; I6-W32 HydrophobicContact CG2-CZ2 3.76Å; L8-W32 HydrophobicContact CD2-CE3 3.8Å; L8-W32 HydrophobicContact CD2-CH2 4.08Å; L8-W32 HydrophobicContact CD2-CZ3 3.5Å; Y11-W32 HydrophobicContact CD2-CH2 4.42Å; Y11-W32 AromaticContact CE2-CH2 3.7Å; Y11-W32 HydrophobicContact CE2-CH2 3.7Å; Y11-W32 HydrophobicContact CE2-CZ3 4.32Å; Y11-W32 AromaticContact CZ-CH2 3.97Å; L28-W32 WeakPolarHBondContact O-CA 3.3Å; L28-W32 WeakPolarHBondContact O-CB 3.5Å; L28-W32 PolarHBondContact O-N 3.44Å; R29-W32 PolarHBondContact O-N 2.97Å; W32-K34 VanDerWaalsContact C-N 3.29Å; W32-K34 PolarHBondContact O-N 2.94Å; W32-K37 HydrophobicContact CZ2-CD 4.49Å; W32-L40 HydrophobicContact CE3-CD2 3.76Å; W32-L40 HydrophobicContact CZ3-CD2 4.29Å; W32-F41 HydrophobicContact CH2-CZ 4.37Å; W32-F41 HydrophobicContact CZ3-CE1 4.3Å; W32-F41 HydrophobicContact CZ3-CZ 4.39Å
33G91.7Very high94Very high70 Ų7058.4 Ų58.472%0.72230%0.295SS*.THydrogen-bonded Turntrans80.5-4.6-178.600000115.7N31N31-G33 PolarHBondContact O-N 2.8Å
34K93.2Very high94.4Very high136 Ų13658.3 Ų58.359%0.59130%0.295SS*.THydrogen-bonded Turntrans-78.1-29.2174.2-60.9-173.9-167.1160.40112.9S30 N31 W32S30-K34 WeakPolarHBondContact O-CE 3.49Å; S30-K34 PolarHBondContact O-NZ 2.67Å; N31-K34 HydrophobicContact CB-CD 4.46Å; N31-K34 PolarHBondContact O-N 3.22Å; N31-K34 VanDerWaalsContact O-N 3.13Å; N31-K34 PolarHBondContact OD1-NZ 2.8Å; W32-K34 VanDerWaalsContact C-N 3.29Å; W32-K34 PolarHBondContact O-N 2.94Å
35V93.4Very high94.3Very high42 Ų4260.4 Ų60.426%0.25531%0.311SS..SBendtrans-136.5168.1176.7-610000109.6R39 L40 M68V35-R39 HydrophobicContact CG2-CB 4.48Å; V35-L40 HydrophobicContact CG2-CB 3.74Å; V35-L40 HydrophobicContact CG2-CD1 4.24Å; V35-L40 HydrophobicContact CG2-CG 4.5Å; V35-M68 HydrophobicContact CG2-CE 4.13Å
36S94.7Very high94.2Very high68 Ų6860.9 Ų60.948%0.47631%0.313SS..  trans-59.4151.1174.365.90000111.3E38 R39 L40S36-E38 VanDerWaalsContact C-N 3.31Å; S36-E38 PolarHBondContact O-N 3.13Å; S36-R39 PolarHBondContact O-N 3.13Å; S36-R39 VanDerWaalsContact OG-CB 3.31Å; S36-R39 WeakPolarHBondContact OG-CB 3.47Å; S36-R39 PolarHBondContact OG-N 2.97Å; S36-L40 WeakPolarHBondContact O-CB 3.35Å; S36-L40 PolarHBondContact O-N 2.83Å
37K92.1Very high94.3Very high101 Ų10155.8 Ų55.844%0.43929%0.294SS..Hα-helixtrans-59.5-43.6-176.7-73-174.9179.3-177.90111.8W32 R39 L40 F41W32-K37 HydrophobicContact CZ2-CD 4.49Å; K37-R39 VanDerWaalsContact C-N 3.32Å; K37-R39 PolarHBondContact O-N 3.49Å; K37-L40 PolarHBondContact O-N 3.44Å; K37-F41 HydrophobicContact CB-CE2 4.03Å; K37-F41 WeakPolarHBondContact O-CD2 3.36Å; K37-F41 VanDerWaalsContact O-CG 3.32Å; K37-F41 WeakPolarHBondContact O-CG 3.46Å; K37-F41 PolarHBondContact O-N 3.06Å
38E92.9Very high94.1Very high134 Ų13456.5 Ų56.563%0.62630%0.297SS*.Hα-helixtrans-60-45.2179.9-59.972.2-154.800110.4S36 F41 C42S36-E38 VanDerWaalsContact C-N 3.31Å; S36-E38 PolarHBondContact O-N 3.13Å; E38-F41 PolarHBondContact O-N 2.97Å; E38-C42 PolarHBondContact O-N 2.97Å; E38-C42 VanDerWaalsContact O-N 3.15Å; E38-C42 PolarHBondContact O-SG 3.41Å
39R96.3Very high93.6Very high126 Ų12658.8 Ų58.848%0.47531%0.31SS..Hα-helixtrans-65.8-43.2176.4-174.9174.9-176.9141.83.3111.2V35 S36 K37 F41 C42 L43 E64V35-R39 HydrophobicContact CG2-CB 4.48Å; S36-R39 PolarHBondContact O-N 3.13Å; S36-R39 VanDerWaalsContact OG-CB 3.31Å; S36-R39 WeakPolarHBondContact OG-CB 3.47Å; S36-R39 PolarHBondContact OG-N 2.97Å; K37-R39 VanDerWaalsContact C-N 3.32Å; K37-R39 PolarHBondContact O-N 3.49Å; R39-F41 VanDerWaalsContact C-N 3.32Å; R39-F41 PolarHBondContact O-N 2.78Å; R39-C42 PolarHBondContact O-N 3.12Å; R39-L43 HydrophobicContact CG-CD1 3.71Å; R39-L43 HydrophobicContact CG-CG 4.2Å; R39-L43 WeakPolarHBondContact O-CB 3.24Å; R39-L43 VanDerWaalsContact O-CG 3.31Å; R39-L43 WeakPolarHBondContact O-CG 3.19Å; R39-L43 PolarHBondContact O-N 2.85Å; R39-E64 IonicContact CZ-OE1 2.64Å; R39-E64 VanDerWaalsContact CZ-OE1 3.29Å; R39-E64 IonicContact CZ-OE2 2.77Å; R39-E64 IonicContact NE-OE1 3.63Å; R39-E64 PolarHBondContact NE-OE1 2.94Å; R39-E64 VanDerWaalsContact NE-OE1 3.07Å; R39-E64 IonicContact NH2-OE1 3.28Å; R39-E64 PolarHBondContact NH2-OE1 3.44Å; R39-E64 IonicContact NH2-OE2 3.07Å; R39-E64 PolarHBondContact NH2-OE2 2.96Å
40L96.8Very high93.2Very high1 Ų152.3 Ų52.31%0.00529%0.286CS..Hα-helixtrans-59.8-42.3178.7-176.956.6000111.8F27 L28 N31 W32 V35 S36 K37 L43 S44 M68F27-L40 HydrophobicContact CD1-CD1 4.36Å; F27-L40 HydrophobicContact CE1-CD1 4.05Å; L28-L40 HydrophobicContact CD2-CD1 4.3Å; L28-L40 HydrophobicContact CD2-CD2 4.09Å; L28-L40 HydrophobicContact CD2-CG 3.7Å; N31-L40 HydrophobicContact CB-CD1 3.65Å; W32-L40 HydrophobicContact CE3-CD2 3.76Å; W32-L40 HydrophobicContact CZ3-CD2 4.29Å; V35-L40 HydrophobicContact CG2-CB 3.74Å; V35-L40 HydrophobicContact CG2-CD1 4.24Å; V35-L40 HydrophobicContact CG2-CG 4.5Å; S36-L40 WeakPolarHBondContact O-CB 3.35Å; S36-L40 PolarHBondContact O-N 2.83Å; K37-L40 PolarHBondContact O-N 3.44Å; L40-L43 PolarHBondContact O-N 3.17Å; L40-S44 VanDerWaalsContact O-CB 3.29Å; L40-S44 WeakPolarHBondContact O-CB 3.41Å; L40-S44 PolarHBondContact O-N 2.83Å; L40-S44 PolarHBondContact O-OG 2.91Å; L40-M68 HydrophobicContact CD1-CE 3.94Å
41F95Very high92.8Very high53 Ų5350.7 Ų50.723%0.23227%0.271CS..Hα-helixtrans-66.2-43.3177.8-64.8-42.9000112.3Y11 L28 W32 K37 E38 R39 S44 S45Y11-F41 AromaticContact CD1-CE1 3.84Å; Y11-F41 HydrophobicContact CD1-CE1 3.84Å; Y11-F41 HydrophobicContact CD1-CE2 4.16Å; Y11-F41 AromaticContact CD1-CZ 3.39Å; Y11-F41 HydrophobicContact CD1-CZ 3.39Å; Y11-F41 HydrophobicContact CD2-CE1 4.33Å; Y11-F41 HydrophobicContact CD2-CZ 4.32Å; Y11-F41 HydrophobicContact CE1-CE1 4.33Å; Y11-F41 HydrophobicContact CE1-CE2 4.16Å; Y11-F41 AromaticContact CE1-CZ 3.49Å; Y11-F41 HydrophobicContact CE1-CZ 3.49Å; Y11-F41 VanDerWaalsContact CE1-CZ 3.49Å; Y11-F41 HydrophobicContact CE2-CZ 4.44Å; Y11-F41 AromaticContact CG-CE1 3.84Å; Y11-F41 HydrophobicContact CG-CE1 3.84Å; Y11-F41 AromaticContact CG-CZ 3.83Å; Y11-F41 HydrophobicContact CG-CZ 3.83Å; L28-F41 HydrophobicContact CD1-CE1 4.34Å; L28-F41 HydrophobicContact CD2-CD1 3.8Å; L28-F41 HydrophobicContact CD2-CE1 4.06Å; W32-F41 HydrophobicContact CH2-CZ 4.37Å; W32-F41 HydrophobicContact CZ3-CE1 4.3Å; W32-F41 HydrophobicContact CZ3-CZ 4.39Å; K37-F41 HydrophobicContact CB-CE2 4.03Å; K37-F41 WeakPolarHBondContact O-CD2 3.36Å; K37-F41 VanDerWaalsContact O-CG 3.32Å; K37-F41 WeakPolarHBondContact O-CG 3.46Å; K37-F41 PolarHBondContact O-N 3.06Å; E38-F41 PolarHBondContact O-N 2.97Å; R39-F41 VanDerWaalsContact C-N 3.32Å; R39-F41 PolarHBondContact O-N 2.78Å; F41-S44 PolarHBondContact O-N 2.8Å; F41-S44 PolarHBondContact O-OG 3.24Å; F41-S45 PolarHBondContact O-N 3.24Å; F41-S45 PolarHBondContact O-OG 2.88Å
42C95.5Very high92.1Very high84 Ų8454.4 Ų54.457%0.56829%0.289SS*.Hα-helixtrans-58.5-51.7173.3-740000111.4E38 R39 S44 S45 V46E38-C42 PolarHBondContact O-N 2.97Å; E38-C42 VanDerWaalsContact O-N 3.15Å; E38-C42 PolarHBondContact O-SG 3.41Å; R39-C42 PolarHBondContact O-N 3.12Å; C42-S44 VanDerWaalsContact C-N 3.31Å; C42-S44 PolarHBondContact O-N 3.18Å; C42-S45 WeakPolarHBondContact O-CB 3.43Å; C42-S45 PolarHBondContact O-N 2.72Å; C42-V46 WeakPolarHBondContact O-CG2 3.35Å; C42-V46 PolarHBondContact O-N 3.14Å
43L97Very high91.5Very high10 Ų1058 Ų585%0.05230%0.303CS..Hα-helixtrans-63.9-35.7-179.6-67.5172000112.2F27 R39 L40 S45 V46 F47 V61 E64 V65 M68F27-L43 HydrophobicContact CE1-CB 4.41Å; R39-L43 HydrophobicContact CG-CD1 3.71Å; R39-L43 HydrophobicContact CG-CG 4.2Å; R39-L43 WeakPolarHBondContact O-CB 3.24Å; R39-L43 VanDerWaalsContact O-CG 3.31Å; R39-L43 WeakPolarHBondContact O-CG 3.19Å; R39-L43 PolarHBondContact O-N 2.85Å; L40-L43 PolarHBondContact O-N 3.17Å; L43-S45 VanDerWaalsContact C-N 3.27Å; L43-S45 PolarHBondContact O-N 2.94Å; L43-V46 PolarHBondContact O-N 2.85Å; L43-F47 WeakPolarHBondContact O-CB 3.34Å; L43-F47 PolarHBondContact O-N 3.47Å; L43-V61 HydrophobicContact CD2-CG1 4.21Å; L43-E64 WeakPolarHBondContact CD1-OE1 3.21Å; L43-V65 HydrophobicContact CB-CG2 4.27Å; L43-V65 HydrophobicContact CD2-CG2 3.63Å; L43-M68 HydrophobicContact CD1-CE 4.17Å; L43-M68 HydrophobicContact CD1-SD 3.56Å; L43-M68 VanDerWaalsContact CD1-SD 3.56Å
44S96.1Very high90.9Very high0 Ų061.1 Ų61.10%030%0.303CS..Hα-helixtrans-65-32.1173.979.10000112.7L40 F41 C42 M48L40-S44 VanDerWaalsContact O-CB 3.29Å; L40-S44 WeakPolarHBondContact O-CB 3.41Å; L40-S44 PolarHBondContact O-N 2.83Å; L40-S44 PolarHBondContact O-OG 2.91Å; F41-S44 PolarHBondContact O-N 2.8Å; F41-S44 PolarHBondContact O-OG 3.24Å; C42-S44 VanDerWaalsContact C-N 3.31Å; C42-S44 PolarHBondContact O-N 3.18Å; S44-M48 WeakPolarHBondContact O-CG 3.44Å; S44-M48 PolarHBondContact O-N 3.13Å; S44-M48 VanDerWaalsContact O-N 3.12Å
45S92.7Very high90.1Very high56 Ų5656.9 Ų56.939%0.39229%0.29SS..Hα-helixtrans-75.1-40.6176.5-54.80000110.7F41 C42 L43 M48 N49F41-S45 PolarHBondContact O-N 3.24Å; F41-S45 PolarHBondContact O-OG 2.88Å; C42-S45 WeakPolarHBondContact O-CB 3.43Å; C42-S45 PolarHBondContact O-N 2.72Å; L43-S45 VanDerWaalsContact C-N 3.27Å; L43-S45 PolarHBondContact O-N 2.94Å; S45-M48 PolarHBondContact O-N 3.4Å; S45-N49 WeakPolarHBondContact O-CB 3.36Å; S45-N49 PolarHBondContact O-N 3.39Å; S45-N49 PolarHBondContact O-ND2 3.48Å
46V91.8Very high89.3Confident18 Ų1860.5 Ų60.511%0.10932%0.316CS..Hα-helixtrans-59.4-49172.4173.60000110.3C42 L43 M48 N49 M50 Y57 V61 V65C42-V46 WeakPolarHBondContact O-CG2 3.35Å; C42-V46 PolarHBondContact O-N 3.14Å; L43-V46 PolarHBondContact O-N 2.85Å; V46-M48 PolarHBondContact O-N 2.94Å; V46-N49 PolarHBondContact O-N 3.46Å; V46-M50 HydrophobicContact CG1-CG 4.19Å; V46-M50 HydrophobicContact CG1-SD 3.72Å; V46-M50 VanDerWaalsContact O-CG 3.23Å; V46-M50 WeakPolarHBondContact O-CG 3.34Å; V46-M50 PolarHBondContact O-N 2.94Å; V46-Y57 HydrophobicContact CB-CE2 4.43Å; V46-Y57 HydrophobicContact CG1-CD1 4.43Å; V46-Y57 HydrophobicContact CG1-CD2 3.62Å; V46-Y57 HydrophobicContact CG1-CE2 3.82Å; V46-Y57 HydrophobicContact CG1-CG 3.94Å; V46-Y57 HydrophobicContact CG2-CD1 4.35Å; V46-Y57 HydrophobicContact CG2-CE1 4.12Å; V46-V61 HydrophobicContact CG1-CG1 4.12Å; V46-V65 HydrophobicContact CB-CG2 4.19Å; V46-V65 HydrophobicContact CG1-CG2 3.84Å
47F94Very high89.1Confident0 Ų060.8 Ų60.80%031%0.307CS..Hα-helixtrans-52.2-52.2174.9173-122.3000112I23 F27 L43 N49 M50 E51 V65 A69 L72 I73I23-F47 HydrophobicContact CG2-CE1 3.58Å; I23-F47 HydrophobicContact CG2-CZ 3.96Å; F27-F47 HydrophobicContact CB-CD1 3.95Å; F27-F47 HydrophobicContact CB-CE1 4.05Å; F27-F47 HydrophobicContact CD2-CB 4.19Å; F27-F47 AromaticContact CD2-CD1 3.55Å; F27-F47 HydrophobicContact CD2-CD1 3.55Å; F27-F47 HydrophobicContact CD2-CD2 4.26Å; F27-F47 AromaticContact CD2-CE1 3.92Å; F27-F47 HydrophobicContact CD2-CE1 3.92Å; F27-F47 AromaticContact CD2-CG 3.73Å; F27-F47 HydrophobicContact CD2-CG 3.73Å; F27-F47 HydrophobicContact CD2-CZ 4.45Å; F27-F47 HydrophobicContact CE2-CB 4.04Å; F27-F47 HydrophobicContact CE2-CD1 4.23Å; F27-F47 HydrophobicContact CE2-CD2 4.33Å; F27-F47 AromaticContact CE2-CG 3.94Å; F27-F47 HydrophobicContact CE2-CG 3.94Å; F27-F47 AromaticContact CG-CD1 3.83Å; F27-F47 HydrophobicContact CG-CD1 3.83Å; F27-F47 HydrophobicContact CG-CE1 4.28Å; F27-F47 HydrophobicContact CG-CG 4.34Å; F27-F47 HydrophobicContact CZ-CB 4.35Å; L43-F47 WeakPolarHBondContact O-CB 3.34Å; L43-F47 PolarHBondContact O-N 3.47Å; F47-N49 VanDerWaalsContact C-N 3.28Å; F47-N49 PolarHBondContact O-N 3.49Å; F47-M50 WeakPolarHBondContact O-CB 3.4Å; F47-M50 PolarHBondContact O-N 3.35Å; F47-E51 HydrophobicContact CD2-CG 3.87Å; F47-E51 HydrophobicContact CE2-CG 3.51Å; F47-E51 HydrophobicContact CZ-CG 4.19Å; F47-E51 WeakPolarHBondContact O-CG 3.4Å; F47-E51 PolarHBondContact O-N 3.38Å; F47-V65 HydrophobicContact CB-CG1 3.56Å; F47-V65 HydrophobicContact CD2-CG1 4.04Å; F47-V65 HydrophobicContact CG-CG1 4.24Å; F47-A69 HydrophobicContact CD2-CB 3.95Å; F47-A69 HydrophobicContact CE2-CB 3.67Å; F47-A69 HydrophobicContact CZ-CB 4.28Å; F47-L72 HydrophobicContact CZ-CB 4.11Å; F47-I73 HydrophobicContact CE2-CG1 3.93Å
48M91.8Very high89.1Confident14 Ų1460.2 Ų60.27%0.06931%0.314CS..Hα-helixtrans-61.7-38.5178.2-71.3-52.6-54.100112A20 I23 R24 S44 S45 V46 E51 Q52 Y76A20-M48 HydrophobicContact CB-CE 3.7Å; I23-M48 HydrophobicContact CG2-SD 4.15Å; R24-M48 HydrophobicContact CB-CG 3.87Å; R24-M48 HydrophobicContact CB-SD 3.88Å; R24-M48 HydrophobicContact CG-CG 3.92Å; S44-M48 WeakPolarHBondContact O-CG 3.44Å; S44-M48 PolarHBondContact O-N 3.13Å; S44-M48 VanDerWaalsContact O-N 3.12Å; S45-M48 PolarHBondContact O-N 3.4Å; V46-M48 PolarHBondContact O-N 2.94Å; M48-E51 PolarHBondContact O-N 3.39Å; M48-Q52 WeakPolarHBondContact O-CB 3.06Å; M48-Q52 PolarHBondContact O-N 3.32Å; M48-Y76 HydrophobicContact CE-CE2 4.46Å
49N86.3Confident88.8Confident48 Ų4859.9 Ų59.926%0.25732%0.316SS..Hα-helixtrans-69.7-35.7179.1-68.8-17.1000113S45 V46 F47 Y53 D54 C55 Y57S45-N49 WeakPolarHBondContact O-CB 3.36Å; S45-N49 PolarHBondContact O-N 3.39Å; S45-N49 PolarHBondContact O-ND2 3.48Å; V46-N49 PolarHBondContact O-N 3.46Å; F47-N49 VanDerWaalsContact C-N 3.28Å; F47-N49 PolarHBondContact O-N 3.49Å; N49-Y53 HydrophobicContact CB-CD2 4.42Å; N49-Y53 CarbonylContact O-C 3.58Å; N49-Y53 WeakPolarHBondContact O-CA 3.39Å; N49-Y53 WeakPolarHBondContact O-CB 3.45Å; N49-Y53 PolarHBondContact O-N 3.05Å; N49-Y53 VanDerWaalsContact O-N 3.1Å; N49-D54 PolarHBondContact O-N 3.19Å; N49-C55 HydrophobicContact CB-CB 4.03Å; N49-C55 PolarHBondContact O-N 3.19Å; N49-C55 VanDerWaalsContact O-N 3.13Å; N49-Y57 HydrophobicContact CB-CE2 4.05Å; N49-Y57 WeakPolarHBondContact CB-OH 3.33Å; N49-Y57 PolarHBondContact ND2-OH 3.38Å
50M85.6Confident88.7Confident9 Ų958.1 Ų58.14%0.04432%0.323CS..Hα-helixtrans-62.2-49.8173.4-69.51685000110.9V46 F47 D54 Y57 M62 V65 R66V46-M50 HydrophobicContact CG1-CG 4.19Å; V46-M50 HydrophobicContact CG1-SD 3.72Å; V46-M50 VanDerWaalsContact O-CG 3.23Å; V46-M50 WeakPolarHBondContact O-CG 3.34Å; V46-M50 PolarHBondContact O-N 2.94Å; F47-M50 WeakPolarHBondContact O-CB 3.4Å; F47-M50 PolarHBondContact O-N 3.35Å; M50-D54 VanDerWaalsContact O-CA 3.26Å; M50-D54 WeakPolarHBondContact O-CA 3.31Å; M50-D54 PolarHBondContact O-N 3Å; M50-Y57 HydrophobicContact CG-CD2 4.18Å; M50-Y57 HydrophobicContact CG-CE2 4.41Å; M50-M62 HydrophobicContact CB-CE 4.45Å; M50-M62 HydrophobicContact CE-CB 4.46Å; M50-M62 HydrophobicContact CE-CE 3.65Å; M50-M62 HydrophobicContact CE-SD 3.9Å; M50-M62 HydrophobicContact CG-CE 3.62Å; M50-M62 HydrophobicContact CG-SD 3.47Å; M50-M62 WeakPolarHBondContact CG-SD 3.49Å; M50-M62 HydrophobicContact SD-CE 3.86Å; M50-M62 HydrophobicContact SD-SD 3.37Å; M50-V65 HydrophobicContact CE-CB 4.43Å; M50-V65 HydrophobicContact CE-CG1 4.08Å; M50-V65 HydrophobicContact SD-CB 3.93Å; M50-V65 HydrophobicContact SD-CG1 3.59Å; M50-V65 VanDerWaalsContact SD-CG1 3.59Å; M50-V65 HydrophobicContact SD-CG2 4.49Å; M50-R66 HydrophobicContact CE-CG 4.03Å
51E84.8Confident88.6Confident28 Ų2860 Ų6013%0.13134%0.335CS..Hα-helixtrans-85.3-29.1-171-58.3-54.3137.300113.8F47 M48 Y76 H77F47-E51 HydrophobicContact CD2-CG 3.87Å; F47-E51 HydrophobicContact CE2-CG 3.51Å; F47-E51 HydrophobicContact CZ-CG 4.19Å; F47-E51 WeakPolarHBondContact O-CG 3.4Å; F47-E51 PolarHBondContact O-N 3.38Å; M48-E51 PolarHBondContact O-N 3.39Å; E51-Y76 HydrophobicContact CB-CD1 3.9Å; E51-Y76 HydrophobicContact CB-CE1 3.85Å; E51-Y76 HydrophobicContact CB-CG 4.47Å; E51-Y76 VanDerWaalsContact O-CE1 3.3Å; E51-Y76 WeakPolarHBondContact O-CE1 3.37Å; E51-H77 IonicContact OE2-CD2 2.79Å; E51-H77 IonicContact OE2-CE1 3.53Å; E51-H77 IonicContact OE2-NE2 3.19Å; E51-H77 PolarHBondContact OE2-NE2 3.16Å
52Q79.3Confident88.4Confident81 Ų8158.1 Ų58.138%0.37933%0.327SS..Hα-helixtrans-94.7-29.7-178.3-178.365.5-36.800113.2M48 Y76M48-Q52 WeakPolarHBondContact O-CB 3.06Å; M48-Q52 PolarHBondContact O-N 3.32Å; Q52-Y76 VanDerWaalsContact CD-OH 3.24Å; Q52-Y76 PolarHBondContact OE1-OH 3.3Å
53Y80Confident88.3Confident140 Ų14058.3 Ų58.355%0.54932%0.322SS..Hα-helixtrans-125.65.8-172.2-52.5-59.4000113.4N49 C55N49-Y53 HydrophobicContact CB-CD2 4.42Å; N49-Y53 CarbonylContact O-C 3.58Å; N49-Y53 WeakPolarHBondContact O-CA 3.39Å; N49-Y53 WeakPolarHBondContact O-CB 3.45Å; N49-Y53 PolarHBondContact O-N 3.05Å; N49-Y53 VanDerWaalsContact O-N 3.1Å; Y53-C55 PolarHBondContact O-N 3.05Å
54D79Confident88.3Confident135 Ų13560.1 Ų60.172%0.72233%0.33SS*.  trans51.928.8-177.5-64.4-50.2000113.1N49 M50N49-D54 PolarHBondContact O-N 3.19Å; M50-D54 VanDerWaalsContact O-CA 3.26Å; M50-D54 WeakPolarHBondContact O-CA 3.31Å; M50-D54 PolarHBondContact O-N 3Å
55C76.2Confident88.3Confident47 Ų4760.1 Ų60.132%0.31833%0.33SS..  trans-68136.9180-71.90000110.8N49 Y53 Y57N49-C55 HydrophobicContact CB-CB 4.03Å; N49-C55 PolarHBondContact O-N 3.19Å; N49-C55 VanDerWaalsContact O-N 3.13Å; Y53-C55 PolarHBondContact O-N 3.05Å; C55-Y57 HydrophobicContact CB-CD2 4.49Å; C55-Y57 HydrophobicContact CB-CE2 3.75Å
56C78.3Confident88.4Confident117 Ų11762.6 Ų62.679%0.79133%0.331SS*.  trans-97.4139173.8-64.50000110.9
57Y89.4Confident88.6Confident75 Ų7569.7 Ų69.729%0.29436%0.363SS..  trans-125.4170.8172.4-64.9-92000108.3V46 N49 M50 C55 D59 M62V46-Y57 HydrophobicContact CB-CE2 4.43Å; V46-Y57 HydrophobicContact CG1-CD1 4.43Å; V46-Y57 HydrophobicContact CG1-CD2 3.62Å; V46-Y57 HydrophobicContact CG1-CE2 3.82Å; V46-Y57 HydrophobicContact CG1-CG 3.94Å; V46-Y57 HydrophobicContact CG2-CD1 4.35Å; V46-Y57 HydrophobicContact CG2-CE1 4.12Å; N49-Y57 HydrophobicContact CB-CE2 4.05Å; N49-Y57 WeakPolarHBondContact CB-OH 3.33Å; N49-Y57 PolarHBondContact ND2-OH 3.38Å; M50-Y57 HydrophobicContact CG-CD2 4.18Å; M50-Y57 HydrophobicContact CG-CE2 4.41Å; C55-Y57 HydrophobicContact CB-CD2 4.49Å; C55-Y57 HydrophobicContact CB-CE2 3.75Å; Y57-D59 PolarHBondContact O-N 3.33Å; Y57-M62 HydrophobicContact CD2-SD 3.75Å; Y57-M62 HydrophobicContact CG-SD 4.19Å; Y57-M62 PolarHBondContact N-SD 3.17Å; Y57-M62 VanDerWaalsContact N-SD 3.39Å; Y57-M62 VanDerWaalsContact O-CG 3.27Å; Y57-M62 WeakPolarHBondContact O-CG 3.24Å
58P92Very high88.7Confident89 Ų8970.9 Ų70.958%0.57837%0.369SS*.  trans-51.5138.8173.5-27.636.3000111.6S60 V61 M62P58-S60 PolarHBondContact O-N 2.87Å; P58-S60 VanDerWaalsContact O-N 3.1Å; P58-V61 HydrophobicContact CB-CG2 4.49Å; P58-V61 WeakPolarHBondContact O-CB 3.14Å; P58-V61 PolarHBondContact O-N 3.34Å; P58-M62 PolarHBondContact O-N 3.34Å; P58-M62 VanDerWaalsContact O-N 3.12Å
59D87.3Confident88.8Confident126 Ų12670.3 Ų70.367%0.67437%0.366SS*.Hα-helixtrans-51.9-40.7-171.8-65.6-34000112.5Y57 V61 M62 D63Y57-D59 PolarHBondContact O-N 3.33Å; D59-V61 VanDerWaalsContact C-N 3.28Å; D59-V61 PolarHBondContact O-N 3.43Å; D59-M62 PolarHBondContact O-N 2.89Å; D59-M62 VanDerWaalsContact O-N 3.17Å; D59-D63 WeakPolarHBondContact O-CB 3.45Å; D59-D63 VanDerWaalsContact O-CG 3.23Å; D59-D63 PolarHBondContact O-N 3.05Å
60S93Very high89.1Confident90 Ų9070.4 Ų70.463%0.62938%0.379SS*.Hα-helixtrans-57.5-37.5177.356.80000113.9P58 E64P58-S60 PolarHBondContact O-N 2.87Å; P58-S60 VanDerWaalsContact O-N 3.1Å; S60-E64 WeakPolarHBondContact O-CB 3.25Å; S60-E64 PolarHBondContact O-N 2.68Å
61V94.7Very high89.2Confident40 Ų4075.8 Ų75.824%0.24241%0.408CS..Hα-helixtrans-76.6-42.2177.9-179.50000110.2L43 V46 P58 D59 D63 E64 V65L43-V61 HydrophobicContact CD2-CG1 4.21Å; V46-V61 HydrophobicContact CG1-CG1 4.12Å; P58-V61 HydrophobicContact CB-CG2 4.49Å; P58-V61 WeakPolarHBondContact O-CB 3.14Å; P58-V61 PolarHBondContact O-N 3.34Å; D59-V61 VanDerWaalsContact C-N 3.28Å; D59-V61 PolarHBondContact O-N 3.43Å; V61-D63 VanDerWaalsContact C-N 3.29Å; V61-D63 PolarHBondContact O-N 2.83Å; V61-E64 PolarHBondContact O-N 2.87Å; V61-V65 HydrophobicContact CG1-CG2 4.39Å; V61-V65 WeakPolarHBondContact O-CB 3.41Å; V61-V65 VanDerWaalsContact O-CG2 3.26Å; V61-V65 WeakPolarHBondContact O-CG2 3.34Å; V61-V65 PolarHBondContact O-N 2.74Å
62M90.8Very high89.2Confident14 Ų1475.1 Ų75.17%0.06941%0.405CS..Hα-helixtrans-61.2-41.1178.7-62.3-73.7-73.600111.1M50 Y57 P58 D59 V65 R66M50-M62 HydrophobicContact CB-CE 4.45Å; M50-M62 HydrophobicContact CE-CB 4.46Å; M50-M62 HydrophobicContact CE-CE 3.65Å; M50-M62 HydrophobicContact CE-SD 3.9Å; M50-M62 HydrophobicContact CG-CE 3.62Å; M50-M62 HydrophobicContact CG-SD 3.47Å; M50-M62 WeakPolarHBondContact CG-SD 3.49Å; M50-M62 HydrophobicContact SD-CE 3.86Å; M50-M62 HydrophobicContact SD-SD 3.37Å; Y57-M62 HydrophobicContact CD2-SD 3.75Å; Y57-M62 HydrophobicContact CG-SD 4.19Å; Y57-M62 PolarHBondContact N-SD 3.17Å; Y57-M62 VanDerWaalsContact N-SD 3.39Å; Y57-M62 VanDerWaalsContact O-CG 3.27Å; Y57-M62 WeakPolarHBondContact O-CG 3.24Å; P58-M62 PolarHBondContact O-N 3.34Å; P58-M62 VanDerWaalsContact O-N 3.12Å; D59-M62 PolarHBondContact O-N 2.89Å; D59-M62 VanDerWaalsContact O-N 3.17Å; M62-V65 PolarHBondContact O-N 2.82Å; M62-R66 VanDerWaalsContact O-CG 3.27Å; M62-R66 WeakPolarHBondContact O-CG 3.32Å; M62-R66 PolarHBondContact O-N 3.13Å
63D94.4Very high89.4Confident88 Ų8873.4 Ų73.447%0.47140%0.398SS..Hα-helixtrans-69.3-43.4178.9-68.3-18.5000111.7D59 V61 V65 R66 E67D59-D63 WeakPolarHBondContact O-CB 3.45Å; D59-D63 VanDerWaalsContact O-CG 3.23Å; D59-D63 PolarHBondContact O-N 3.05Å; V61-D63 VanDerWaalsContact C-N 3.29Å; V61-D63 PolarHBondContact O-N 2.83Å; D63-V65 VanDerWaalsContact C-N 3.31Å; D63-V65 PolarHBondContact O-N 2.92Å; D63-R66 PolarHBondContact O-N 3.43Å; D63-R66 IonicContact OD1-NH1 3.65Å; D63-R66 PolarHBondContact OD1-NH1 2.88Å; D63-E67 WeakPolarHBondContact O-CB 3.3Å; D63-E67 PolarHBondContact O-N 3.48Å
64E96.9Very high89.3Confident47 Ų4773.6 Ų73.622%0.2240%0.404CS..Hα-helixtrans-57.2-45.6172.6-179.5-180178.100111.1R39 L43 S60 V61 E67 M68R39-E64 IonicContact CZ-OE1 2.64Å; R39-E64 VanDerWaalsContact CZ-OE1 3.29Å; R39-E64 IonicContact CZ-OE2 2.77Å; R39-E64 IonicContact NE-OE1 3.63Å; R39-E64 PolarHBondContact NE-OE1 2.94Å; R39-E64 VanDerWaalsContact NE-OE1 3.07Å; R39-E64 IonicContact NH2-OE1 3.28Å; R39-E64 PolarHBondContact NH2-OE1 3.44Å; R39-E64 IonicContact NH2-OE2 3.07Å; R39-E64 PolarHBondContact NH2-OE2 2.96Å; L43-E64 WeakPolarHBondContact CD1-OE1 3.21Å; S60-E64 WeakPolarHBondContact O-CB 3.25Å; S60-E64 PolarHBondContact O-N 2.68Å; V61-E64 PolarHBondContact O-N 2.87Å; E64-E67 PolarHBondContact O-N 3.48Å; E64-M68 HydrophobicContact CG-SD 4.16Å; E64-M68 WeakPolarHBondContact O-CB 3.23Å; E64-M68 VanDerWaalsContact O-CG 3.29Å; E64-M68 WeakPolarHBondContact O-CG 3.35Å; E64-M68 PolarHBondContact O-N 3.34Å
65V96.5Very high89.2Confident0 Ų069 Ų690%039%0.385CS..Hα-helixtrans-65.7-40.9179.9170.20000111.9F27 L43 V46 F47 M50 V61 M62 D63 M68 A69F27-V65 HydrophobicContact CE2-CG1 4.46Å; L43-V65 HydrophobicContact CB-CG2 4.27Å; L43-V65 HydrophobicContact CD2-CG2 3.63Å; V46-V65 HydrophobicContact CB-CG2 4.19Å; V46-V65 HydrophobicContact CG1-CG2 3.84Å; F47-V65 HydrophobicContact CB-CG1 3.56Å; F47-V65 HydrophobicContact CD2-CG1 4.04Å; F47-V65 HydrophobicContact CG-CG1 4.24Å; M50-V65 HydrophobicContact CE-CB 4.43Å; M50-V65 HydrophobicContact CE-CG1 4.08Å; M50-V65 HydrophobicContact SD-CB 3.93Å; M50-V65 HydrophobicContact SD-CG1 3.59Å; M50-V65 VanDerWaalsContact SD-CG1 3.59Å; M50-V65 HydrophobicContact SD-CG2 4.49Å; V61-V65 HydrophobicContact CG1-CG2 4.39Å; V61-V65 WeakPolarHBondContact O-CB 3.41Å; V61-V65 VanDerWaalsContact O-CG2 3.26Å; V61-V65 WeakPolarHBondContact O-CG2 3.34Å; V61-V65 PolarHBondContact O-N 2.74Å; M62-V65 PolarHBondContact O-N 2.82Å; D63-V65 VanDerWaalsContact C-N 3.31Å; D63-V65 PolarHBondContact O-N 2.92Å; V65-M68 PolarHBondContact O-N 3.41Å; V65-A69 VanDerWaalsContact O-CB 3.28Å; V65-A69 WeakPolarHBondContact O-CB 3.36Å; V65-A69 PolarHBondContact O-N 2.89Å
66R94.9Very high89.2Confident108 Ų10866.9 Ų66.941%0.40837%0.37SS..Hα-helixtrans-63.8-42.8176.2-74.5172.7-168.1127.20.1111.8M50 M62 D63 M68 A69 G70 I73M50-R66 HydrophobicContact CE-CG 4.03Å; M62-R66 VanDerWaalsContact O-CG 3.27Å; M62-R66 WeakPolarHBondContact O-CG 3.32Å; M62-R66 PolarHBondContact O-N 3.13Å; D63-R66 PolarHBondContact O-N 3.43Å; D63-R66 IonicContact OD1-NH1 3.65Å; D63-R66 PolarHBondContact OD1-NH1 2.88Å; R66-M68 VanDerWaalsContact C-N 3.35Å; R66-A69 PolarHBondContact O-N 2.92Å; R66-G70 PolarHBondContact O-N 2.98Å; R66-I73 HydrophobicContact CB-CD1 4.4Å; R66-I73 HydrophobicContact CG-CD1 4.14Å
67E95.3Very high89.1Confident167 Ų16763.7 Ų63.778%0.7834%0.344SS*.Hα-helixtrans-61.1-44.9175.9-172.8-178.3175.400111.1D63 E64 A69D63-E67 WeakPolarHBondContact O-CB 3.3Å; D63-E67 PolarHBondContact O-N 3.48Å; E64-E67 PolarHBondContact O-N 3.48Å; E67-A69 VanDerWaalsContact C-N 3.35Å; E67-A69 PolarHBondContact O-N 3.44Å
68M96.6Very high88.4Confident25 Ų2563.5 Ų63.512%0.12335%0.353CS..Hα-helixtrans-68.3-31.1177.3-72-17871.600113.7F27 N31 V35 L40 L43 E64 V65 R66F27-M68 HydrophobicContact CE1-CE 4.27Å; F27-M68 HydrophobicContact CE2-CB 3.9Å; F27-M68 HydrophobicContact CZ-CB 3.71Å; F27-M68 HydrophobicContact CZ-CE 4.21Å; F27-M68 HydrophobicContact CZ-SD 4.46Å; N31-M68 HydrophobicContact CB-CE 3.54Å; N31-M68 PolarHBondContact ND2-O 3.43Å; V35-M68 HydrophobicContact CG2-CE 4.13Å; L40-M68 HydrophobicContact CD1-CE 3.94Å; L43-M68 HydrophobicContact CD1-CE 4.17Å; L43-M68 HydrophobicContact CD1-SD 3.56Å; L43-M68 VanDerWaalsContact CD1-SD 3.56Å; E64-M68 HydrophobicContact CG-SD 4.16Å; E64-M68 WeakPolarHBondContact O-CB 3.23Å; E64-M68 VanDerWaalsContact O-CG 3.29Å; E64-M68 WeakPolarHBondContact O-CG 3.35Å; E64-M68 PolarHBondContact O-N 3.34Å; V65-M68 PolarHBondContact O-N 3.41Å; R66-M68 VanDerWaalsContact C-N 3.35Å
69A93.9Very high87.3Confident2 Ų262.4 Ų62.42%0.01735%0.346CS..Hα-helixtrans-73.1-35.7-179.200000112.1F27 F47 V65 R66 E67 D71 L72 I73F27-A69 HydrophobicContact CD2-CB 4.08Å; F27-A69 HydrophobicContact CE2-CB 3.91Å; F47-A69 HydrophobicContact CD2-CB 3.95Å; F47-A69 HydrophobicContact CE2-CB 3.67Å; F47-A69 HydrophobicContact CZ-CB 4.28Å; V65-A69 VanDerWaalsContact O-CB 3.28Å; V65-A69 WeakPolarHBondContact O-CB 3.36Å; V65-A69 PolarHBondContact O-N 2.89Å; R66-A69 PolarHBondContact O-N 2.92Å; E67-A69 VanDerWaalsContact C-N 3.35Å; E67-A69 PolarHBondContact O-N 3.44Å; A69-D71 PolarHBondContact O-N 3.17Å; A69-L72 WeakPolarHBondContact O-CB 3.47Å; A69-L72 VanDerWaalsContact O-CG 3.27Å; A69-L72 WeakPolarHBondContact O-CG 3.19Å; A69-L72 PolarHBondContact O-N 3.35Å; A69-I73 HydrophobicContact CB-CD1 4.04Å; A69-I73 HydrophobicContact CB-CG1 3.86Å
70G91.9Very high86.3Confident50 Ų5059.9 Ų59.952%0.51533%0.332SS..THydrogen-bonded Turntrans56.4-122.3-178.800000112.2R66 L72R66-G70 PolarHBondContact O-N 2.98Å; G70-L72 VanDerWaalsContact C-N 3.28Å; G70-L72 PolarHBondContact O-N 2.9Å
71D87.1Confident85Confident123 Ų12361.2 Ų61.266%0.65833%0.326SS*.THydrogen-bonded Turntrans-78.4-718066.1-23.1000114.1A69 I73 E74 A75A69-D71 PolarHBondContact O-N 3.17Å; D71-I73 VanDerWaalsContact C-N 3.25Å; D71-I73 PolarHBondContact O-N 3.29Å; D71-E74 PolarHBondContact O-N 3.35Å; D71-E74 VanDerWaalsContact O-N 3.16Å; D71-A75 PolarHBondContact O-N 3.28Å
72L86.6Confident83.7Confident14 Ų1461.5 Ų61.57%0.07333%0.333CS..Hα-helixtrans-64.9-28.8-179.1-65.5175.5000113.2R26 F27 F47 A69 G70 A75 Y76R26-L72 HydrophobicContact CB-CD1 4.23Å; R26-L72 HydrophobicContact CB-CD2 3.64Å; R26-L72 HydrophobicContact CG-CD2 4.47Å; F27-L72 VanDerWaalsContact CA-CD1 3.42Å; F27-L72 HydrophobicContact CB-CD1 3.87Å; F27-L72 HydrophobicContact CD2-CD1 4.26Å; F47-L72 HydrophobicContact CZ-CB 4.11Å; A69-L72 WeakPolarHBondContact O-CB 3.47Å; A69-L72 VanDerWaalsContact O-CG 3.27Å; A69-L72 WeakPolarHBondContact O-CG 3.19Å; A69-L72 PolarHBondContact O-N 3.35Å; G70-L72 VanDerWaalsContact C-N 3.28Å; G70-L72 PolarHBondContact O-N 2.9Å; L72-A75 PolarHBondContact O-N 3.45Å; L72-Y76 WeakPolarHBondContact O-CB 3.41Å; L72-Y76 PolarHBondContact O-N 2.94Å
73I81.6Confident82.5Confident44 Ų4465.3 Ų65.323%0.22635%0.353CS..Hα-helixtrans-60.7-48.6174.4-65168.4000109.2F47 R66 A69 D71 Y76 H77F47-I73 HydrophobicContact CE2-CG1 3.93Å; R66-I73 HydrophobicContact CB-CD1 4.4Å; R66-I73 HydrophobicContact CG-CD1 4.14Å; A69-I73 HydrophobicContact CB-CD1 4.04Å; A69-I73 HydrophobicContact CB-CG1 3.86Å; D71-I73 VanDerWaalsContact C-N 3.25Å; D71-I73 PolarHBondContact O-N 3.29Å; I73-Y76 WeakPolarHBondContact O-CB 3.49Å; I73-Y76 PolarHBondContact O-N 2.9Å; I73-H77 PolarHBondContact O-CD2 2.85Å; I73-H77 PolarHBondContact O-N 3.18Å; I73-H77 VanDerWaalsContact O-N 3.07Å
74E79.4Confident80.7Confident144 Ų14462.9 Ų62.967%0.67335%0.345SS*.Hα-helixtrans-69.3-38179.8-170.4160.7-160.700111.9D71 Y76 H77 S78D71-E74 PolarHBondContact O-N 3.35Å; D71-E74 VanDerWaalsContact O-N 3.16Å; E74-Y76 PolarHBondContact O-N 3.16Å; E74-H77 PolarHBondContact O-N 3.11Å; E74-S78 VanDerWaalsContact O-CB 3.26Å; E74-S78 WeakPolarHBondContact O-CB 3.45Å; E74-S78 PolarHBondContact O-N 3.39Å
75A76.4Confident79.1Confident39 Ų3968 Ų6832%0.32237%0.369SS..Hα-helixtrans-61.8-32.1173.700000112.8D71 L72 P79D71-A75 PolarHBondContact O-N 3.28Å; L72-A75 PolarHBondContact O-N 3.45Å; A75-P79 WeakPolarHBondContact O-CD 3.44Å
76Y77.1Confident77.5Confident3 Ų375.7 Ų75.71%0.01241%0.405CS..Hα-helixtrans-70.4-48174.3-178.9-99.8000112.1H19 I23 M48 E51 Q52 L72 I73 E74 I80H19-Y76 AromaticContact CE1-CD2 3.64Å; H19-Y76 AromaticContact CE1-CE2 3.53Å; H19-Y76 AromaticContact ND1-CE2 3.75Å; I23-Y76 HydrophobicContact CB-CD2 4.18Å; I23-Y76 HydrophobicContact CD1-CD2 4.38Å; I23-Y76 HydrophobicContact CG1-CD2 3.89Å; I23-Y76 HydrophobicContact CG2-CD2 3.87Å; M48-Y76 HydrophobicContact CE-CE2 4.46Å; E51-Y76 HydrophobicContact CB-CD1 3.9Å; E51-Y76 HydrophobicContact CB-CE1 3.85Å; E51-Y76 HydrophobicContact CB-CG 4.47Å; E51-Y76 VanDerWaalsContact O-CE1 3.3Å; E51-Y76 WeakPolarHBondContact O-CE1 3.37Å; Q52-Y76 VanDerWaalsContact CD-OH 3.24Å; Q52-Y76 PolarHBondContact OE1-OH 3.3Å; L72-Y76 WeakPolarHBondContact O-CB 3.41Å; L72-Y76 PolarHBondContact O-N 2.94Å; I73-Y76 WeakPolarHBondContact O-CB 3.49Å; I73-Y76 PolarHBondContact O-N 2.9Å; E74-Y76 PolarHBondContact O-N 3.16Å; Y76-I80 HydrophobicContact CD1-CD1 3.98Å; Y76-I80 HydrophobicContact CE1-CD1 3.58Å; Y76-I80 WeakPolarHBondContact O-CD1 3.45Å
77H74.3Confident75.7Confident50 Ų5075.5 Ų75.523%0.23141%0.411CS..Hα-helixtrans-78.7-25-175-73.8-65.8000114E51 I73 E74 I80 K81E51-H77 IonicContact OE2-CD2 2.79Å; E51-H77 IonicContact OE2-CE1 3.53Å; E51-H77 IonicContact OE2-NE2 3.19Å; E51-H77 PolarHBondContact OE2-NE2 3.16Å; I73-H77 PolarHBondContact O-CD2 2.85Å; I73-H77 PolarHBondContact O-N 3.18Å; I73-H77 VanDerWaalsContact O-N 3.07Å; E74-H77 PolarHBondContact O-N 3.11Å; H77-I80 PolarHBondContact O-N 3.29Å; H77-K81 HydrophobicContact CB-CD 4.37Å; H77-K81 WeakPolarHBondContact O-CB 3.36Å; H77-K81 VanDerWaalsContact O-CG 3.29Å; H77-K81 WeakPolarHBondContact O-CG 3.43Å; H77-K81 PolarHBondContact O-N 3.37Å
78S74.6Confident73.3Confident70 Ų7071.9 Ų71.949%0.4940%0.396SS..Hα-helixtrans-60.1-50.6-174.6174.70000113.6E74 I80 K81 A82E74-S78 VanDerWaalsContact O-CB 3.26Å; E74-S78 WeakPolarHBondContact O-CB 3.45Å; E74-S78 PolarHBondContact O-N 3.39Å; S78-I80 VanDerWaalsContact C-N 3.3Å; S78-I80 PolarHBondContact O-N 3.35Å; S78-K81 PolarHBondContact O-N 3.28Å; S78-A82 WeakPolarHBondContact O-CB 3.15Å; S78-A82 PolarHBondContact O-N 3.42Å
79P69.8Low70.8Confident67 Ų6776.1 Ų76.144%0.43543%0.426SS..Hα-helixtrans-61.9-38.4175.4-20.732.4000112.5A75 A82 L83A75-P79 WeakPolarHBondContact O-CD 3.44Å; P79-A82 PolarHBondContact O-N 3.32Å; P79-L83 VanDerWaalsContact O-CB 3.32Å; P79-L83 WeakPolarHBondContact O-CB 3.29Å; P79-L83 PolarHBondContact O-N 2.79Å
80I67Low68.5Low72 Ų7287.8 Ų87.837%0.36947%0.469SS..Hα-helixtrans-65.7-44.9179.6-58173.3000110Y76 H77 S78 L83 A84Y76-I80 HydrophobicContact CD1-CD1 3.98Å; Y76-I80 HydrophobicContact CE1-CD1 3.58Å; Y76-I80 WeakPolarHBondContact O-CD1 3.45Å; H77-I80 PolarHBondContact O-N 3.29Å; S78-I80 VanDerWaalsContact C-N 3.3Å; S78-I80 PolarHBondContact O-N 3.35Å; I80-L83 PolarHBondContact O-N 3.38Å; I80-A84 VanDerWaalsContact O-CB 3.25Å; I80-A84 WeakPolarHBondContact O-CB 3.29Å; I80-A84 PolarHBondContact O-N 2.81Å
81K65.6Low66.3Low118 Ų11896.4 Ų96.451%0.51349%0.486SS..Hα-helixtrans-63.7-43.7175.5-76.4173.5-178.9172.60111.7H77 S78 A84 Q85H77-K81 HydrophobicContact CB-CD 4.37Å; H77-K81 WeakPolarHBondContact O-CB 3.36Å; H77-K81 VanDerWaalsContact O-CG 3.29Å; H77-K81 WeakPolarHBondContact O-CG 3.43Å; H77-K81 PolarHBondContact O-N 3.37Å; S78-K81 PolarHBondContact O-N 3.28Å; K81-A84 PolarHBondContact O-N 2.91Å; K81-Q85 WeakPolarHBondContact O-CB 3.32Å; K81-Q85 VanDerWaalsContact O-CG 3.24Å; K81-Q85 WeakPolarHBondContact O-CG 3.29Å; K81-Q85 PolarHBondContact O-N 3.21Å
82A67.3Low63.7Low47 Ų47100.8 Ų100.839%0.38850%0.495SS..Hα-helixtrans-62.4-44.1177.600000111.4S78 P79 Q85 Q86S78-A82 WeakPolarHBondContact O-CB 3.15Å; S78-A82 PolarHBondContact O-N 3.42Å; P79-A82 PolarHBondContact O-N 3.32Å; A82-Q85 PolarHBondContact O-N 3.13Å; A82-Q86 WeakPolarHBondContact O-CG 3.47Å; A82-Q86 PolarHBondContact O-N 3.12Å; A82-Q86 VanDerWaalsContact O-N 3.13Å
83L64.4Low61.3Low94 Ų94106.7 Ų106.749%0.49253%0.525SS..Hα-helixtrans-64.3-44.2175.2-17465.2000111.4P79 I80 Q85 Q86 I87P79-L83 VanDerWaalsContact O-CB 3.32Å; P79-L83 WeakPolarHBondContact O-CB 3.29Å; P79-L83 PolarHBondContact O-N 2.79Å; I80-L83 PolarHBondContact O-N 3.38Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 PolarHBondContact O-N 3Å; L83-Q86 PolarHBondContact O-N 2.94Å; L83-Q86 VanDerWaalsContact O-N 3.13Å; L83-I87 HydrophobicContact CD1-CD1 3.88Å; L83-I87 HydrophobicContact CD1-CG1 4.37Å; L83-I87 HydrophobicContact CD2-CD1 4.35Å; L83-I87 HydrophobicContact CG-CD1 3.72Å; L83-I87 HydrophobicContact CG-CG1 4.48Å; L83-I87 WeakPolarHBondContact O-CG1 3.29Å; L83-I87 PolarHBondContact O-N 2.88Å
84A57Low59Low36 Ų36109.4 Ų109.430%0.29855%0.546SS..Hα-helixtrans-61.2-37.917600000112.1I80 K81 Q86 I87 L88I80-A84 VanDerWaalsContact O-CB 3.25Å; I80-A84 WeakPolarHBondContact O-CB 3.29Å; I80-A84 PolarHBondContact O-N 2.81Å; K81-A84 PolarHBondContact O-N 2.91Å; A84-Q86 VanDerWaalsContact C-N 3.32Å; A84-Q86 PolarHBondContact O-N 2.95Å; A84-I87 PolarHBondContact O-N 3.36Å; A84-L88 HydrophobicContact CB-CD1 4.22Å; A84-L88 WeakPolarHBondContact O-CA 3.34Å; A84-L88 WeakPolarHBondContact O-CB 3.44Å; A84-L88 VanDerWaalsContact O-CG 3.31Å; A84-L88 WeakPolarHBondContact O-CG 3.08Å; A84-L88 PolarHBondContact O-N 2.87Å
85Q62.8Low56.7Low154 Ų154108.6 Ų108.672%0.7255%0.551SS**Hα-helixtrans-68.8-29.1175.7-73.9171.415.200113.2K81 A82 L83K81-Q85 WeakPolarHBondContact O-CB 3.32Å; K81-Q85 VanDerWaalsContact O-CG 3.24Å; K81-Q85 WeakPolarHBondContact O-CG 3.29Å; K81-Q85 PolarHBondContact O-N 3.21Å; A82-Q85 PolarHBondContact O-N 3.13Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 PolarHBondContact O-N 3Å
86Q64.2Low54.7Low163 Ų163115.9 Ų115.976%0.76258%0.575SS**Hα-helixtrans-76.3-37.6174.4-72.7-179.9-4.600112.1A82 L83 A84A82-Q86 WeakPolarHBondContact O-CG 3.47Å; A82-Q86 PolarHBondContact O-N 3.12Å; A82-Q86 VanDerWaalsContact O-N 3.13Å; L83-Q86 PolarHBondContact O-N 2.94Å; L83-Q86 VanDerWaalsContact O-N 3.13Å; A84-Q86 VanDerWaalsContact C-N 3.32Å; A84-Q86 PolarHBondContact O-N 2.95Å
87I56.5Low52.3Low103 Ų103125.1 Ų125.153%0.52862%0.621SS.*Hα-helixtrans-84.9-39.9-176-62.6172.5000111.7L83 A84L83-I87 HydrophobicContact CD1-CD1 3.88Å; L83-I87 HydrophobicContact CD1-CG1 4.37Å; L83-I87 HydrophobicContact CD2-CD1 4.35Å; L83-I87 HydrophobicContact CG-CD1 3.72Å; L83-I87 HydrophobicContact CG-CG1 4.48Å; L83-I87 WeakPolarHBondContact O-CG1 3.29Å; L83-I87 PolarHBondContact O-N 2.88Å; A84-I87 PolarHBondContact O-N 3.36Å
88L45.9Very low50.3Low91 Ų91132.7 Ų132.748%0.47665%0.647SS.*SBendtrans-88.4121.4-175.5-60.7172.7000110.2A84 R90A84-L88 HydrophobicContact CB-CD1 4.22Å; A84-L88 WeakPolarHBondContact O-CA 3.34Å; A84-L88 WeakPolarHBondContact O-CB 3.44Å; A84-L88 VanDerWaalsContact O-CG 3.31Å; A84-L88 WeakPolarHBondContact O-CG 3.08Å; A84-L88 PolarHBondContact O-N 2.87Å; L88-R90 PolarHBondContact O-N 3.49Å
89P43.8Very low48Very low115 Ų115141 Ų14175%0.74767%0.668SS**  trans-59.2128.717621.7-30.1000109.5R91P89-R91 PolarHBondContact O-N 3.48Å
90R46.2Very low46Very low246 Ų246142.6 Ų142.693%0.92868%0.677SS**  trans-54.395.5-177.9-154.2-180-167-156.64.8109.2L88 Y92L88-R90 PolarHBondContact O-N 3.49Å; R90-Y92 PolarHBondContact O-N 3.13Å
91R44.6Very low44.1Very low231 Ų231144.4 Ų144.487%0.87270%0.696SS**  trans-61.3111.8174.6-103.9-179.5176.7169.2-0.2107.4P89 I93P89-R91 PolarHBondContact O-N 3.48Å; R91-I93 PolarHBondContact O-N 3.15Å
92Y32.6Very low42.3Very low216 Ų216144.2 Ų144.285%0.84771%0.709SS**  trans-61104.4172.4-169.1-92.3000107.9R90 P94R90-Y92 PolarHBondContact O-N 3.13Å; Y92-P94 HydrophobicContact CD1-CG 4.3Å; Y92-P94 HydrophobicContact CE1-CB 4.43Å; Y92-P94 WeakPolarHBondContact O-CD 3.42Å
93I35.7Very low41.1Very low137 Ų137147 Ų14770%0.70372%0.723SS**  trans-88.3111.9170.1-58.7174.1000105.7R91 T95R91-I93 PolarHBondContact O-N 3.15Å; I93-T95 PolarHBondContact O-N 3.42Å
94P33.8Very low39.3Very low102 Ų102150.6 Ų150.666%0.66274%0.738SS**  trans-65.3102.4178.6-12.527.2000108.3Y92Y92-P94 HydrophobicContact CD1-CG 4.3Å; Y92-P94 HydrophobicContact CE1-CB 4.43Å; Y92-P94 WeakPolarHBondContact O-CD 3.42Å
95T31.1Very low38Very low126 Ų126153.8 Ų153.877%0.77376%0.758SS**  trans-74.5134.117010.70000107.6I93I93-T95 PolarHBondContact O-N 3.42Å
96K33.8Very low36.5Very low192 Ų192158.3 Ų158.384%0.83577%0.768SS**  trans95.473.8172.4-54.4173.3178.9175.80115.7R98K96-R98 PolarHBondContact O-N 3.2Å
97M27.7Very low35Very low197 Ų197160.5 Ų160.597%0.9778%0.778SS**  trans-66.576.8136.4-88.9-171.115200108.8R99M97-R99 PolarHBondContact O-N 3.38Å
98R30.9Very low33.8Very low209 Ų209158.4 Ų158.479%0.78978%0.782SS**  trans-86.9100.8161.2-172.9170.3162.8173-6.2106.1K96 T100K96-R98 PolarHBondContact O-N 3.2Å; R98-T100 PolarHBondContact O-N 2.82Å
99R26.5Very low33.2Very low245 Ų245161.7 Ų161.793%0.92580%0.801SS**  trans-55.2106.7170.1-79.9175.9156.7156.9-6.1109.1M97M97-R99 PolarHBondContact O-N 3.38Å
100T27.7Very low32.9Very low100 Ų100165 Ų16561%0.61381%0.805SS**  trans-145.7103.8156.349.90000107.9R98R98-T100 PolarHBondContact O-N 2.82Å
101S28.1Very low32.3Very low111 Ų111157.2 Ų157.278%0.77680%0.802SS**  trans31.5115.7143.752.30000118.8
102S27.6Very low32.4Very low113 Ų113149.5 Ų149.579%0.7979%0.788SS**  trans-32.3151.4142.8-52.70000112.7
103P41.5Very low33Very low105 Ų105144.1 Ų144.168%0.68278%0.782SS**  cis-147174.741.638.8-17.2000118
104E27.5Very low33.7Very low170 Ų170142.4 Ų142.479%0.79478%0.782SS**  trans84.299.7145.1-82.7163.4-162.800121.4
105S29Very low34.4Very low103 Ų103140.8 Ų140.872%0.7277%0.773SS**  59.2104.3129.3660000118.1
106R32.6Very low35.4Very low249 Ų249141.8 Ų141.894%0.9477%0.767SS**  trans-152109.8137.3-101.1157.3-161.5-152.64.7108.6G108R106-G108 PolarHBondContact O-N 3.42Å; R106-G108 VanDerWaalsContact O-N 3.15Å
107Q32.5Very low36.3Very low209 Ų209137 Ų13798%0.97775%0.754SS**  trans-52.9113.2161.9-90.4161.7-44.200108.4
108G29.9Very low37.4Very low59 Ų59135.8 Ų135.861%0.60874%0.738SS**  trans-135.394.9176.100000108.4R106 H110R106-G108 PolarHBondContact O-N 3.42Å; R106-G108 VanDerWaalsContact O-N 3.15Å; G108-H110 PolarHBondContact O-N 3.28Å
109N35Very low38.7Very low161 Ų161132 Ų13286%0.86173%0.729SS**  trans-70.588.3-177.8-154.325.2000109.9
110H36.2Very low40.2Very low183 Ų183126.3 Ų126.385%0.84771%0.713SS**  trans-136.359.9174.2-72-55.4000111.6G108G108-H110 PolarHBondContact O-N 3.28Å
111G35.2Very low41.6Very low83 Ų83124.4 Ų124.486%0.85671%0.708SS**  trans-101.368.7169.700000111.7
112A46.7Very low43.3Very low70 Ų70121.8 Ų121.858%0.57968%0.683SS**SBendtrans-144.3-10.2173.400000115.6
113S44.6Very low45.4Very low102 Ų102121.7 Ų121.771%0.71367%0.674SS**Hα-helixtrans-90.9-17.6-175.9-57.10000114.6T117S113-T117 PolarHBondContact O-OG1 3.09Å
114S49Very low47.2Very low101 Ų101121 Ų12171%0.70667%0.667SS**Hα-helixtrans-80.3-22.1-177.1-174.70000114.1
115S49.7Very low49.7Very low68 Ų68114.1 Ų114.148%0.47664%0.636SS.*Hα-helixtrans-81.6-37.1-179.251.90000112.2R118 H119S115-R118 PolarHBondContact O-N 3.18Å; S115-H119 PolarHBondContact O-CD2 3.36Å; S115-H119 VanDerWaalsContact O-CD2 3.31Å; S115-H119 PolarHBondContact O-N 3.26Å
116K51.3Low52.2Low148 Ų148111.8 Ų111.864%0.64361%0.614SS**Hα-helixtrans-63-49.5179.1-91.9-176.3173.4-178.40112.9R118 H119 E120K116-R118 PolarHBondContact O-N 3.45Å; K116-H119 PolarHBondContact O-N 3.02Å; K116-E120 WeakPolarHBondContact O-CB 3.45Å; K116-E120 WeakPolarHBondContact O-CG 3.41Å; K116-E120 PolarHBondContact O-N 3.43Å
117T53.4Low54.7Low91 Ų91107.2 Ų107.256%0.55860%0.601SS**Hα-helixtrans-63-3318013.60000112.2S113 A121S113-T117 PolarHBondContact O-OG1 3.09Å; T117-A121 WeakPolarHBondContact O-CB 3.44Å; T117-A121 PolarHBondContact O-N 2.95Å; T117-A121 VanDerWaalsContact O-N 3.17Å
118R51.3Low57.3Low172 Ų172101.6 Ų101.665%0.64957%0.571SS**Hα-helixtrans-71.8-46.3177.7-172.2173176.4166.71.3111.8S115 K116 A121 E122S115-R118 PolarHBondContact O-N 3.18Å; K116-R118 PolarHBondContact O-N 3.45Å; R118-A121 PolarHBondContact O-N 3.08Å; R118-E122 HydrophobicContact CG-CG 4.46Å; R118-E122 VanDerWaalsContact CG-OE1 3.24Å; R118-E122 WeakPolarHBondContact CG-OE1 3.29Å; R118-E122 IonicContact CZ-OE1 3.9Å; R118-E122 IonicContact NE-OE1 2.97Å; R118-E122 PolarHBondContact NE-OE1 3.23Å; R118-E122 IonicContact NH2-OE1 3.96Å; R118-E122 VanDerWaalsContact O-CB 3.29Å; R118-E122 WeakPolarHBondContact O-CB 3.43Å; R118-E122 WeakPolarHBondContact O-CG 3.18Å; R118-E122 PolarHBondContact O-N 2.99Å
119H58.4Low60Low130 Ų13098.8 Ų98.860%0.60254%0.542SS*.Hα-helixtrans-63.7-40.3176.3-82.5-61.7000112.8S115 K116 E122 D123S115-H119 PolarHBondContact O-CD2 3.36Å; S115-H119 VanDerWaalsContact O-CD2 3.31Å; S115-H119 PolarHBondContact O-N 3.26Å; K116-H119 PolarHBondContact O-N 3.02Å; H119-E122 PolarHBondContact O-N 2.97Å; H119-D123 PolarHBondContact O-N 3.42Å
120E56.2Low62.3Low124 Ų12496.1 Ų96.158%0.57952%0.523SS*.Hα-helixtrans-63.7-46.2177.9-74.5170.5-170.700112K116 E122 D123 T124K116-E120 WeakPolarHBondContact O-CB 3.45Å; K116-E120 WeakPolarHBondContact O-CG 3.41Å; K116-E120 PolarHBondContact O-N 3.43Å; E120-E122 VanDerWaalsContact C-N 3.34Å; E120-D123 PolarHBondContact O-N 2.79Å; E120-T124 PolarHBondContact O-N 3.07Å; E120-T124 VanDerWaalsContact O-N 3.14Å; E120-T124 PolarHBondContact O-OG1 3.35Å
121A58.6Low64.6Low61 Ų6191.2 Ų91.250%0.50450%0.502SS..Hα-helixtrans-65.4-36.2176.200000112.5T117 R118 T124 D125T117-A121 WeakPolarHBondContact O-CB 3.44Å; T117-A121 PolarHBondContact O-N 2.95Å; T117-A121 VanDerWaalsContact O-N 3.17Å; R118-A121 PolarHBondContact O-N 3.08Å; A121-T124 WeakPolarHBondContact CA-OG1 3.41Å; A121-T124 PolarHBondContact O-N 3.5Å; A121-T124 PolarHBondContact O-OG1 3.09Å; A121-D125 PolarHBondContact O-N 2.97Å
122E63.9Low67.2Low56 Ų5687.4 Ų87.426%0.26246%0.463SS..Hα-helixtrans-65.9-41.1177.1-78.3172.2-173.500111.8R118 H119 E120 E126 R215R118-E122 HydrophobicContact CG-CG 4.46Å; R118-E122 VanDerWaalsContact CG-OE1 3.24Å; R118-E122 WeakPolarHBondContact CG-OE1 3.29Å; R118-E122 IonicContact CZ-OE1 3.9Å; R118-E122 IonicContact NE-OE1 2.97Å; R118-E122 PolarHBondContact NE-OE1 3.23Å; R118-E122 IonicContact NH2-OE1 3.96Å; R118-E122 VanDerWaalsContact O-CB 3.29Å; R118-E122 WeakPolarHBondContact O-CB 3.43Å; R118-E122 WeakPolarHBondContact O-CG 3.18Å; R118-E122 PolarHBondContact O-N 2.99Å; H119-E122 PolarHBondContact O-N 2.97Å; E120-E122 VanDerWaalsContact C-N 3.34Å; E122-E126 PolarHBondContact O-N 2.67Å; E122-R215 PolarHBondContact O-NH2 3.24Å
123D71.3Confident69.1Low111 Ų11184.3 Ų84.359%0.59444%0.436SS*.Hα-helixtrans-68.8-36.3177.1-17250.1000112.3H119 E120 D125 E126 K127H119-D123 PolarHBondContact O-N 3.42Å; E120-D123 PolarHBondContact O-N 2.79Å; D123-D125 PolarHBondContact O-N 2.94Å; D123-E126 PolarHBondContact O-N 2.88Å; D123-K127 WeakPolarHBondContact O-CB 3.46Å; D123-K127 PolarHBondContact O-N 3.27Å
124T78.1Confident70.8Confident89 Ų8983.4 Ų83.455%0.54643%0.429SS..Hα-helixtrans-64.9-39.6178.13.90000112.5E120 A121 R128E120-T124 PolarHBondContact O-N 3.07Å; E120-T124 VanDerWaalsContact O-N 3.14Å; E120-T124 PolarHBondContact O-OG1 3.35Å; A121-T124 WeakPolarHBondContact CA-OG1 3.41Å; A121-T124 PolarHBondContact O-N 3.5Å; A121-T124 PolarHBondContact O-OG1 3.09Å; T124-R128 WeakPolarHBondContact O-CB 3.48Å; T124-R128 PolarHBondContact O-N 3.3Å
125D81.1Confident72.6Confident26 Ų2683.9 Ų83.914%0.13942%0.415CS..Hα-helixtrans-68.4-42.8179.8-159.820.8000111.3A121 D123 K127 R128 V129 K225 F226A121-D125 PolarHBondContact O-N 2.97Å; D123-D125 PolarHBondContact O-N 2.94Å; D125-K127 PolarHBondContact O-N 2.91Å; D125-R128 WeakPolarHBondContact O-CB 3.47Å; D125-R128 PolarHBondContact O-N 3.08Å; D125-R128 IonicContact OD1-CZ 3.29Å; D125-R128 IonicContact OD1-NE 2.7Å; D125-R128 PolarHBondContact OD1-NE 2.73Å; D125-R128 IonicContact OD1-NH2 2.67Å; D125-R128 PolarHBondContact OD1-NH2 3.2Å; D125-V129 WeakPolarHBondContact O-CB 3.25Å; D125-V129 WeakPolarHBondContact O-CG2 3.49Å; D125-V129 PolarHBondContact O-N 3.28Å; D125-K225 IonicContact OD2-NZ 2.94Å; D125-F226 HydrophobicContact CB-CZ 4.37Å; D125-F226 WeakPolarHBondContact OD2-CE2 3.38Å
126E82.2Confident74.5Confident55 Ų5580.6 Ų80.626%0.25739%0.392SS..Hα-helixtrans-62.5-42.6176.4-171.4178.4147.800111.7E122 D123 V129 K130 L213E122-E126 PolarHBondContact O-N 2.67Å; D123-E126 PolarHBondContact O-N 2.88Å; E126-V129 PolarHBondContact O-N 2.88Å; E126-K130 WeakPolarHBondContact O-CG 3.49Å; E126-K130 PolarHBondContact O-N 2.8Å; E126-K130 WeakPolarHBondContact OE1-CE 3.24Å; E126-K130 IonicContact OE1-NZ 2.67Å; E126-K130 PolarHBondContact OE1-NZ 2.72Å; E126-L213 HydrophobicContact CG-CD1 4.06Å
127K83.5Confident76Confident153 Ų15377.9 Ų77.967%0.66538%0.378SS*.Hα-helixtrans-62.7-44.5176.2-174176.9-179.1178.10112.2D123 D125 V129 K130 D131D123-K127 WeakPolarHBondContact O-CB 3.46Å; D123-K127 PolarHBondContact O-N 3.27Å; D125-K127 PolarHBondContact O-N 2.91Å; K127-V129 VanDerWaalsContact C-N 3.31Å; K127-V129 PolarHBondContact O-N 3.34Å; K127-K130 PolarHBondContact O-N 3.45Å; K127-D131 PolarHBondContact O-N 2.81Å
128R88Confident77.3Confident91 Ų9176.2 Ų76.234%0.34337%0.373SS..Hα-helixtrans-57.6-45175.7179.7-170.271.591.6-2.1111.2T124 D125 D131 L132 D178 E179T124-R128 WeakPolarHBondContact O-CB 3.48Å; T124-R128 PolarHBondContact O-N 3.3Å; D125-R128 WeakPolarHBondContact O-CB 3.47Å; D125-R128 PolarHBondContact O-N 3.08Å; D125-R128 IonicContact OD1-CZ 3.29Å; D125-R128 IonicContact OD1-NE 2.7Å; D125-R128 PolarHBondContact OD1-NE 2.73Å; D125-R128 IonicContact OD1-NH2 2.67Å; D125-R128 PolarHBondContact OD1-NH2 3.2Å; R128-D131 PolarHBondContact O-N 2.75Å; R128-L132 PolarHBondContact O-N 2.94Å; R128-D178 IonicContact CZ-OD2 3.71Å; R128-D178 IonicContact NH1-OD2 2.83Å; R128-D178 PolarHBondContact NH1-OD2 3.11Å; R128-D178 IonicContact NH2-OD2 3.6Å; R128-D178 PolarHBondContact NH2-OD2 3.37Å; R128-E179 IonicContact NH2-OE2 3.58Å
129V85.6Confident78.9Confident0 Ų071.5 Ų71.50%036%0.359CS..Hα-helixtrans-69.4-40.4-179.4176.40000111.3D125 E126 K127 D131 L132 F133 V180 L213 F226D125-V129 WeakPolarHBondContact O-CB 3.25Å; D125-V129 WeakPolarHBondContact O-CG2 3.49Å; D125-V129 PolarHBondContact O-N 3.28Å; E126-V129 PolarHBondContact O-N 2.88Å; K127-V129 VanDerWaalsContact C-N 3.31Å; K127-V129 PolarHBondContact O-N 3.34Å; V129-D131 VanDerWaalsContact C-N 3.33Å; V129-D131 PolarHBondContact O-N 3.47Å; V129-L132 WeakPolarHBondContact O-CB 3.4Å; V129-L132 PolarHBondContact O-N 2.99Å; V129-F133 HydrophobicContact CG1-CD2 3.88Å; V129-F133 HydrophobicContact CG1-CE2 3.58Å; V129-F133 WeakPolarHBondContact O-CD2 3.22Å; V129-F133 PolarHBondContact O-N 3Å; V129-V180 HydrophobicContact CG1-CG2 3.47Å; V129-V180 VanDerWaalsContact CG1-CG2 3.47Å; V129-V180 HydrophobicContact CG2-CG2 4.35Å; V129-L213 HydrophobicContact CB-CD1 3.7Å; V129-L213 HydrophobicContact CG1-CD1 3.38Å; V129-L213 HydrophobicContact CG1-CD2 3.59Å; V129-L213 HydrophobicContact CG1-CG 4.13Å; V129-F226 HydrophobicContact CG2-CD2 4.18Å; V129-F226 HydrophobicContact CG2-CE2 4.06Å
130K84.5Confident80Confident105 Ų10565.6 Ų65.646%0.45733%0.332SS..Hα-helixtrans-58.3-46.3173.5-75.1177-177.1164.20111.6E126 K127 L132 F133 C134 L213E126-K130 WeakPolarHBondContact O-CG 3.49Å; E126-K130 PolarHBondContact O-N 2.8Å; E126-K130 WeakPolarHBondContact OE1-CE 3.24Å; E126-K130 IonicContact OE1-NZ 2.67Å; E126-K130 PolarHBondContact OE1-NZ 2.72Å; K127-K130 PolarHBondContact O-N 3.45Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 3.22Å; K130-F133 PolarHBondContact O-N 2.72Å; K130-C134 PolarHBondContact O-N 2.88Å; K130-C134 PolarHBondContact O-SG 3.45Å; K130-C134 VanDerWaalsContact O-SG 3.38Å; K130-L213 HydrophobicContact CG-CD1 3.71Å
131D84.8Confident80.9Confident79 Ų7964 Ų6442%0.42233%0.334SS..Hα-helixtrans-62.4-39177.9-172.357.9000112.2K127 R128 V129 F133 C134 R135K127-D131 PolarHBondContact O-N 2.81Å; R128-D131 PolarHBondContact O-N 2.75Å; V129-D131 VanDerWaalsContact C-N 3.33Å; V129-D131 PolarHBondContact O-N 3.47Å; D131-F133 PolarHBondContact O-N 2.94Å; D131-C134 WeakPolarHBondContact O-CB 3.36Å; D131-C134 PolarHBondContact O-N 3.22Å; D131-R135 WeakPolarHBondContact O-CG 3.36Å; D131-R135 PolarHBondContact O-N 3.45Å; D131-R135 IonicContact OD2-CZ 3.49Å; D131-R135 VanDerWaalsContact OD2-CZ 3.3Å; D131-R135 IonicContact OD2-NE 2.7Å; D131-R135 IonicContact OD2-NH1 2.61Å; D131-R135 PolarHBondContact OD2-NH1 2.89Å
132L88Confident81.8Confident4 Ų466.4 Ų66.42%0.02134%0.343CS..Hα-helixtrans-54.4-49.8173169.664.1000112R128 V129 K130 R135 L136 V160 C162 V177 D178R128-L132 PolarHBondContact O-N 2.94Å; V129-L132 WeakPolarHBondContact O-CB 3.4Å; V129-L132 PolarHBondContact O-N 2.99Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 3.22Å; L132-R135 PolarHBondContact O-N 3.48Å; L132-L136 HydrophobicContact CD1-CD1 3.98Å; L132-L136 HydrophobicContact CD1-CG 4.16Å; L132-L136 HydrophobicContact CG-CD1 3.99Å; L132-L136 WeakPolarHBondContact O-CG 3.26Å; L132-L136 PolarHBondContact O-N 3.45Å; L132-V160 HydrophobicContact CD1-CG1 3.58Å; L132-C162 HydrophobicContact CD1-CB 3.67Å; L132-C162 HydrophobicContact CD2-CB 4.44Å; L132-V177 HydrophobicContact CD2-CG1 4.39Å; L132-D178 HydrophobicContact CD2-CB 4.2Å
133F86.8Confident82.4Confident4 Ų465.5 Ų65.52%0.01835%0.345CS..Hα-helixtrans-68.4-35.5-179.5-75.5-71.9000113V129 K130 D131 R135 L136 R137 V180 L182 L206 L213 L228V129-F133 HydrophobicContact CG1-CD2 3.88Å; V129-F133 HydrophobicContact CG1-CE2 3.58Å; V129-F133 WeakPolarHBondContact O-CD2 3.22Å; V129-F133 PolarHBondContact O-N 3Å; K130-F133 PolarHBondContact O-N 2.72Å; D131-F133 PolarHBondContact O-N 2.94Å; F133-R135 VanDerWaalsContact C-N 3.32Å; F133-R135 PolarHBondContact O-N 3.23Å; F133-L136 HydrophobicContact CD1-CD1 4.12Å; F133-L136 HydrophobicContact CE1-CD1 4.29Å; F133-L136 PolarHBondContact O-N 2.94Å; F133-R137 WeakPolarHBondContact O-CB 3.41Å; F133-R137 PolarHBondContact O-N 3.16Å; F133-V180 HydrophobicContact CE2-CB 4.07Å; F133-V180 HydrophobicContact CE2-CG1 3.85Å; F133-V180 HydrophobicContact CE2-CG2 3.94Å; F133-V180 HydrophobicContact CZ-CB 3.88Å; F133-V180 HydrophobicContact CZ-CG1 3.72Å; F133-V180 HydrophobicContact CZ-CG2 4.23Å; F133-L182 HydrophobicContact CE1-CD1 3.86Å; F133-L182 HydrophobicContact CE1-CD2 4.42Å; F133-L182 HydrophobicContact CE1-CG 4.2Å; F133-L182 HydrophobicContact CZ-CD1 3.78Å; F133-L206 HydrophobicContact CD1-CD2 3.37Å; F133-L206 HydrophobicContact CE1-CD2 3.54Å; F133-L213 HydrophobicContact CD2-CD2 4.36Å; F133-L213 HydrophobicContact CE2-CD2 4.03Å; F133-L228 HydrophobicContact CD1-CD1 4.28Å; F133-L228 HydrophobicContact CD1-CD2 3.92Å; F133-L228 HydrophobicContact CD2-CD1 3.95Å; F133-L228 HydrophobicContact CE1-CD1 4.22Å; F133-L228 HydrophobicContact CE1-CD2 3.58Å; F133-L228 HydrophobicContact CE1-CG 4.43Å; F133-L228 HydrophobicContact CE2-CD1 3.89Å; F133-L228 HydrophobicContact CG-CD1 4.17Å; F133-L228 HydrophobicContact CZ-CD1 4.03Å; F133-L228 HydrophobicContact CZ-CD2 3.99Å; F133-L228 HydrophobicContact CZ-CG 4.42Å
134C81.4Confident82.2Confident84 Ų8464 Ų6457%0.56835%0.348SS*.Hα-helixtrans-57.8-45.8170.6-69.60000111.4K130 D131 A138K130-C134 PolarHBondContact O-N 2.88Å; K130-C134 PolarHBondContact O-SG 3.45Å; K130-C134 VanDerWaalsContact O-SG 3.38Å; D131-C134 WeakPolarHBondContact O-CB 3.36Å; D131-C134 PolarHBondContact O-N 3.22Å; C134-A138 WeakPolarHBondContact O-CB 3.32Å; C134-A138 PolarHBondContact O-N 3.44Å
135R86.6Confident81.9Confident110 Ų11068.7 Ų68.742%0.41536%0.361SS..Hα-helixtrans-66.8-43.5177.9-67.7-175.4-55.2-1378.6112.5D131 L132 F133 R137 A138 Q139 V160D131-R135 WeakPolarHBondContact O-CG 3.36Å; D131-R135 PolarHBondContact O-N 3.45Å; D131-R135 IonicContact OD2-CZ 3.49Å; D131-R135 VanDerWaalsContact OD2-CZ 3.3Å; D131-R135 IonicContact OD2-NE 2.7Å; D131-R135 IonicContact OD2-NH1 2.61Å; D131-R135 PolarHBondContact OD2-NH1 2.89Å; L132-R135 PolarHBondContact O-N 3.48Å; F133-R135 VanDerWaalsContact C-N 3.32Å; F133-R135 PolarHBondContact O-N 3.23Å; R135-R137 PolarHBondContact O-N 2.73Å; R135-A138 PolarHBondContact O-N 3.02Å; R135-Q139 WeakPolarHBondContact O-CB 3.03Å; R135-Q139 WeakPolarHBondContact O-CG 3.3Å; R135-Q139 PolarHBondContact O-N 3.42Å; R135-V160 HydrophobicContact CB-CG1 3.71Å; R135-V160 HydrophobicContact CB-CG2 4.29Å
136L89.2Confident81.5Confident0 Ų070 Ų700%037%0.366CS..Hα-helixtrans-58.8-47.1176.1-75.1168000111.4L132 F133 Q139 L140 L156 V160 V177 L206L132-L136 HydrophobicContact CD1-CD1 3.98Å; L132-L136 HydrophobicContact CD1-CG 4.16Å; L132-L136 HydrophobicContact CG-CD1 3.99Å; L132-L136 WeakPolarHBondContact O-CG 3.26Å; L132-L136 PolarHBondContact O-N 3.45Å; F133-L136 HydrophobicContact CD1-CD1 4.12Å; F133-L136 HydrophobicContact CE1-CD1 4.29Å; F133-L136 PolarHBondContact O-N 2.94Å; L136-Q139 PolarHBondContact O-N 3.45Å; L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 PolarHBondContact O-N 3.06Å; L136-L156 HydrophobicContact CD2-CD1 4.45Å; L136-L156 HydrophobicContact CD2-CD2 3.87Å; L136-L156 HydrophobicContact CD2-CG 3.75Å; L136-V160 HydrophobicContact CD2-CB 3.96Å; L136-V160 HydrophobicContact CD2-CG1 4.28Å; L136-V160 HydrophobicContact CD2-CG2 3.84Å; L136-V160 HydrophobicContact CG-CB 4.42Å; L136-V160 HydrophobicContact CG-CG1 4.21Å; L136-V160 HydrophobicContact CG-CG2 4.29Å; L136-V177 HydrophobicContact CD1-CG1 4.03Å; L136-L206 HydrophobicContact CB-CD2 4.22Å; L136-L206 HydrophobicContact CD1-CD2 4.05Å
137R84Confident81.4Confident90 Ų9075 Ų7534%0.3440%0.395SS..Hα-helixtrans-62-46.8177.4-177.5173.5170.4-165.5-2.9111.9F133 R135 Q139 L140 S141 L206 R208 P209F133-R137 WeakPolarHBondContact O-CB 3.41Å; F133-R137 PolarHBondContact O-N 3.16Å; R135-R137 PolarHBondContact O-N 2.73Å; R137-Q139 VanDerWaalsContact C-N 3.31Å; R137-Q139 PolarHBondContact O-N 3.21Å; R137-L140 WeakPolarHBondContact O-CB 3.42Å; R137-L140 PolarHBondContact O-N 2.89Å; R137-S141 PolarHBondContact O-N 2.94Å; R137-S141 PolarHBondContact O-OG 2.81Å; R137-L206 WeakPolarHBondContact CB-O 3.07Å; R137-L206 WeakPolarHBondContact CG-O 3.29Å; R137-R208 PolarHBondContact NH1-O 3.23Å; R137-P209 VanDerWaalsContact NH1-CA 3.29Å; R137-P209 PolarHBondContact NH1-O 2.91Å
138A79.2Confident81.6Confident56 Ų5671 Ų7146%0.46338%0.38SS..Hα-helixtrans-58.4-42.9177.900000112C134 R135 S141C134-A138 WeakPolarHBondContact O-CB 3.32Å; C134-A138 PolarHBondContact O-N 3.44Å; R135-A138 PolarHBondContact O-N 3.02Å; A138-S141 PolarHBondContact O-N 3.49Å
139Q84.8Confident81.7Confident73 Ų7367.7 Ų67.734%0.34137%0.37SS..Hα-helixtrans-67.7-39.3176.3-69.5-59.3-35.300112.3R135 L136 R137 S141 V142 A143 L156 V160R135-Q139 WeakPolarHBondContact O-CB 3.03Å; R135-Q139 WeakPolarHBondContact O-CG 3.3Å; R135-Q139 PolarHBondContact O-N 3.42Å; L136-Q139 PolarHBondContact O-N 3.45Å; R137-Q139 VanDerWaalsContact C-N 3.31Å; R137-Q139 PolarHBondContact O-N 3.21Å; Q139-S141 PolarHBondContact O-N 2.7Å; Q139-V142 WeakPolarHBondContact O-CG2 3.24Å; Q139-V142 PolarHBondContact O-N 3.16Å; Q139-V142 VanDerWaalsContact O-N 3.16Å; Q139-A143 VanDerWaalsContact O-CB 3.29Å; Q139-A143 WeakPolarHBondContact O-CB 3.31Å; Q139-A143 PolarHBondContact O-N 3.2Å; Q139-L156 HydrophobicContact CB-CD1 3.44Å; Q139-L156 VanDerWaalsContact CB-CD1 3.44Å; Q139-V160 HydrophobicContact CB-CG2 4.18Å; Q139-V160 HydrophobicContact CG-CG2 3.66Å
140L82.7Confident82.1Confident6 Ų669.3 Ų69.33%0.03138%0.379CS..Hα-helixtrans-61-29.7173.9-97.8154.1000113.5L136 R137 V142 L156 C203 L206 Q207L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 PolarHBondContact O-N 3.06Å; R137-L140 WeakPolarHBondContact O-CB 3.42Å; R137-L140 PolarHBondContact O-N 2.89Å; L140-V142 VanDerWaalsContact C-N 3.31Å; L140-L156 HydrophobicContact CB-CD1 4.39Å; L140-L156 HydrophobicContact CD1-CD1 4.43Å; L140-L156 HydrophobicContact CD1-CD2 3.37Å; L140-L156 HydrophobicContact CD2-CD2 4.27Å; L140-L156 HydrophobicContact CG-CD1 3.84Å; L140-L156 HydrophobicContact CG-CD2 3.51Å; L140-L156 HydrophobicContact CG-CG 4.28Å; L140-C203 HydrophobicContact CD2-CB 4.13Å; L140-L206 HydrophobicContact CD1-CB 3.36Å; L140-L206 HydrophobicContact CD1-CD1 3.76Å; L140-L206 HydrophobicContact CD1-CG 4.2Å; L140-Q207 HydrophobicContact CB-CG 4.18Å; L140-Q207 HydrophobicContact CD1-CG 4.34Å; L140-Q207 HydrophobicContact CD2-CG 4.31Å
141S75.6Confident82.4Confident91 Ų9170.8 Ų70.864%0.63638%0.381SS*.Hα-helixtrans-72.8-22.3177.8-63.20000113.5R137 A138 Q139R137-S141 PolarHBondContact O-N 2.94Å; R137-S141 PolarHBondContact O-OG 2.81Å; A138-S141 PolarHBondContact O-N 3.49Å; Q139-S141 PolarHBondContact O-N 2.7Å
142V77.3Confident82.7Confident112 Ų11269.1 Ų69.168%0.67937%0.369SS*.Hα-helixtrans-110.8-17.5-179.6-60.70000113.5Q139 L140Q139-V142 WeakPolarHBondContact O-CG2 3.24Å; Q139-V142 PolarHBondContact O-N 3.16Å; Q139-V142 VanDerWaalsContact O-N 3.16Å; L140-V142 VanDerWaalsContact C-N 3.31Å
143A75.3Confident82.9Confident37 Ų3768.9 Ų68.931%0.30637%0.368SS..SBendtrans-62139.7179.300000111.3Q139Q139-A143 VanDerWaalsContact O-CB 3.29Å; Q139-A143 WeakPolarHBondContact O-CB 3.31Å; Q139-A143 PolarHBondContact O-N 3.2Å
144A68.2Low83.1Confident80 Ų8071 Ų7166%0.66138%0.379SS*.  trans-58148.6169.500000110.2E146A144-E146 VanDerWaalsContact C-N 3.32Å; A144-E146 PolarHBondContact O-N 3.11Å
145K71.2Confident83.5Confident186 Ų18670.2 Ų70.281%0.80937%0.368SS*.  trans-71.894.2170.5-72.9-175.7-179.8179.70107.9
146E73.5Confident83.6Confident55 Ų5565.2 Ų65.226%0.25735%0.349SS..  trans-72.5130.7163.2-85.8-73.117400109.1A144 N148 R151 R152A144-E146 VanDerWaalsContact C-N 3.32Å; A144-E146 PolarHBondContact O-N 3.11Å; E146-N148 VanDerWaalsContact C-N 3.3Å; E146-N148 PolarHBondContact O-N 3.16Å; E146-R151 IonicContact OE1-CZ 3.69Å; E146-R151 IonicContact OE1-NE 2.67Å; E146-R151 PolarHBondContact OE1-NE 3.44Å; E146-R151 IonicContact OE1-NH1 3.14Å; E146-R151 IonicContact OE1-NH2 3.91Å; E146-R151 IonicContact OE2-NE 2.73Å; E146-R151 IonicContact OE2-NH1 3.97Å; E146-R152 HydrophobicContact CB-CB 3.75Å; E146-R152 HydrophobicContact CB-CG 4.07Å
147D79Confident83.8Confident160 Ų16065.2 Ų65.286%0.85635%0.349SS*.SBendtrans-69.7-30.5-178-71.2-30.1000111.9P149D147-P149 WeakPolarHBondContact O-CD 3.44Å
148N88.9Confident84.1Confident68 Ų6864.7 Ų64.736%0.36435%0.353SS..SBendtrans-88.8115.9179.1-174-59.6000110.7E146 I150 R151 R152E146-N148 VanDerWaalsContact C-N 3.3Å; E146-N148 PolarHBondContact O-N 3.16Å; N148-I150 VanDerWaalsContact C-N 3.31Å; N148-I150 PolarHBondContact O-N 3.25Å; N148-I150 WeakPolarHBondContact OD1-CA 3.46Å; N148-I150 WeakPolarHBondContact OD1-CB 3.32Å; N148-I150 PolarHBondContact OD1-N 3.3Å; N148-R151 HydrophobicContact CB-CB 3.98Å; N148-R151 PolarHBondContact O-N 3.01Å; N148-R151 PolarHBondContact OD1-N 3.42Å; N148-R151 VanDerWaalsContact OD1-N 3.09Å; N148-R152 WeakPolarHBondContact O-CB 3.41Å; N148-R152 PolarHBondContact O-N 3.03Å
149P90.3Very high84.4Confident21 Ų2167 Ų6714%0.13636%0.357CS..Hα-helixtrans-62.4-34.1-176.7-24.434.8000114.1D147 L153 M196 C199 D200D147-P149 WeakPolarHBondContact O-CD 3.44Å; P149-L153 WeakPolarHBondContact O-CB 3.47Å; P149-L153 PolarHBondContact O-N 3.14Å; P149-M196 WeakPolarHBondContact CB-O 3.41Å; P149-C199 HydrophobicContact CB-CB 3.9Å; P149-C199 WeakPolarHBondContact O-CB 3.47Å; P149-D200 HydrophobicContact CB-CB 3.98Å; P149-D200 HydrophobicContact CG-CB 4.08Å
150I93Very high84.6Confident34 Ų3464.1 Ų64.117%0.17435%0.345CS..Hα-helixtrans-66.5-47.8178.2-68.5173.3000109.7N148 R152 L153 N154 W164 L192 K195 M196 C199N148-I150 VanDerWaalsContact C-N 3.31Å; N148-I150 PolarHBondContact O-N 3.25Å; N148-I150 WeakPolarHBondContact OD1-CA 3.46Å; N148-I150 WeakPolarHBondContact OD1-CB 3.32Å; N148-I150 PolarHBondContact OD1-N 3.3Å; I150-R152 VanDerWaalsContact C-N 3.35Å; I150-L153 PolarHBondContact O-N 3.31Å; I150-N154 VanDerWaalsContact O-CB 3.25Å; I150-N154 WeakPolarHBondContact O-CB 3.37Å; I150-N154 PolarHBondContact O-N 2.97Å; I150-W164 HydrophobicContact CG2-CH2 4.02Å; I150-W164 HydrophobicContact CG2-CZ2 4.09Å; I150-L192 HydrophobicContact CD1-CD1 3.73Å; I150-K195 HydrophobicContact CD1-CB 4.31Å; I150-K195 HydrophobicContact CD1-CD 4.1Å; I150-K195 HydrophobicContact CD1-CG 3.92Å; I150-K195 HydrophobicContact CG1-CG 4.23Å; I150-M196 HydrophobicContact CD1-CG 3.57Å; I150-M196 HydrophobicContact CG1-CG 3.96Å; I150-C199 HydrophobicContact CG1-CB 4.43Å
151R90.1Very high84.9Confident136 Ų13672.5 Ų72.551%0.51338%0.381SS..Hα-helixtrans-61.8-46.4178.6-174.8176.4176.4-179.8-1.6110.9E146 N148 L153 N154 E155E146-R151 IonicContact OE1-CZ 3.69Å; E146-R151 IonicContact OE1-NE 2.67Å; E146-R151 PolarHBondContact OE1-NE 3.44Å; E146-R151 IonicContact OE1-NH1 3.14Å; E146-R151 IonicContact OE1-NH2 3.91Å; E146-R151 IonicContact OE2-NE 2.73Å; E146-R151 IonicContact OE2-NH1 3.97Å; N148-R151 HydrophobicContact CB-CB 3.98Å; N148-R151 PolarHBondContact O-N 3.01Å; N148-R151 PolarHBondContact OD1-N 3.42Å; N148-R151 VanDerWaalsContact OD1-N 3.09Å; R151-L153 PolarHBondContact O-N 3.09Å; R151-N154 PolarHBondContact O-N 2.81Å; R151-N154 VanDerWaalsContact O-N 3.16Å; R151-E155 HydrophobicContact CG-CG 4.39Å; R151-E155 WeakPolarHBondContact CG-OE1 3.41Å; R151-E155 IonicContact CZ-OE1 3.38Å; R151-E155 IonicContact NE-OE1 3.47Å; R151-E155 PolarHBondContact NE-OE1 2.6Å; R151-E155 IonicContact NH2-OE1 2.66Å; R151-E155 PolarHBondContact NH2-OE1 2.89Å; R151-E155 WeakPolarHBondContact O-CG 3.37Å; R151-E155 PolarHBondContact O-N 2.87Å
152R91Very high85.6Confident44 Ų4468.8 Ų68.817%0.16635%0.354CS..Hα-helixtrans-55.2-49.8177.6-169.1174.8-179.5-161.1-6112.3E146 N148 I150 N154 L156E146-R152 HydrophobicContact CB-CB 3.75Å; E146-R152 HydrophobicContact CB-CG 4.07Å; N148-R152 WeakPolarHBondContact O-CB 3.41Å; N148-R152 PolarHBondContact O-N 3.03Å; I150-R152 VanDerWaalsContact C-N 3.35Å; R152-N154 VanDerWaalsContact C-N 3.35Å; R152-L156 WeakPolarHBondContact O-CB 3.36Å; R152-L156 PolarHBondContact O-N 2.91Å; R152-L156 VanDerWaalsContact O-N 3.08Å
153L92.9Very high86.2Confident0 Ų068 Ų680%035%0.35CS..Hα-helixtrans-68.1-36.2179.1-174.862.8000112.1P149 I150 R151 L156 C157 W164 L175 C199 A202 L206P149-L153 WeakPolarHBondContact O-CB 3.47Å; P149-L153 PolarHBondContact O-N 3.14Å; I150-L153 PolarHBondContact O-N 3.31Å; R151-L153 PolarHBondContact O-N 3.09Å; L153-L156 HydrophobicContact CD1-CD2 4.07Å; L153-L156 WeakPolarHBondContact O-CB 3.42Å; L153-L156 PolarHBondContact O-N 3.09Å; L153-C157 WeakPolarHBondContact O-CB 3.38Å; L153-C157 PolarHBondContact O-N 3.3Å; L153-C157 PolarHBondContact O-SG 3.18Å; L153-W164 HydrophobicContact CD2-CD2 3.81Å; L153-W164 HydrophobicContact CD2-CE3 3.83Å; L153-W164 HydrophobicContact CD2-CG 4.16Å; L153-W164 HydrophobicContact CD2-CZ3 4.25Å; L153-W164 HydrophobicContact CG-CD2 4.18Å; L153-W164 HydrophobicContact CG-CG 4.24Å; L153-L175 HydrophobicContact CD2-CD1 3.75Å; L153-L175 HydrophobicContact CD2-CD2 4.31Å; L153-C199 HydrophobicContact CB-CB 4.21Å; L153-C199 HydrophobicContact CD2-CB 4.01Å; L153-A202 HydrophobicContact CD2-CB 4.29Å; L153-L206 HydrophobicContact CD1-CD1 4.18Å
154N91.3Very high87.2Confident47 Ų4767.6 Ų67.625%0.25134%0.34SS..Hα-helixtrans-65.3-47178.3-168.258.7000112.3I150 R151 R152 L156 C157 N158 W164I150-N154 VanDerWaalsContact O-CB 3.25Å; I150-N154 WeakPolarHBondContact O-CB 3.37Å; I150-N154 PolarHBondContact O-N 2.97Å; R151-N154 PolarHBondContact O-N 2.81Å; R151-N154 VanDerWaalsContact O-N 3.16Å; R152-N154 VanDerWaalsContact C-N 3.35Å; N154-L156 VanDerWaalsContact C-N 3.34Å; N154-L156 PolarHBondContact O-N 2.97Å; N154-C157 PolarHBondContact O-N 3.37Å; N154-N158 PolarHBondContact ND2-ND2 3.1Å; N154-N158 WeakPolarHBondContact O-CB 3.46Å; N154-N158 PolarHBondContact O-N 3.25Å; N154-N158 PolarHBondContact O-ND2 3.27Å; N154-N158 VanDerWaalsContact O-ND2 3.09Å; N154-W164 HydrophobicContact CB-CZ2 4.26Å; N154-W164 PolarHBondContact OD1-NE1 3.28Å
155E89.4Confident88.4Confident69 Ų6967.3 Ų67.332%0.32232%0.322SS..Hα-helixtrans-60.1-45.5174.8-72175.9-175.900111.1R151 C157 N158 L159R151-E155 HydrophobicContact CG-CG 4.39Å; R151-E155 WeakPolarHBondContact CG-OE1 3.41Å; R151-E155 IonicContact CZ-OE1 3.38Å; R151-E155 IonicContact NE-OE1 3.47Å; R151-E155 PolarHBondContact NE-OE1 2.6Å; R151-E155 IonicContact NH2-OE1 2.66Å; R151-E155 PolarHBondContact NH2-OE1 2.89Å; R151-E155 WeakPolarHBondContact O-CG 3.37Å; R151-E155 PolarHBondContact O-N 2.87Å; E155-C157 PolarHBondContact O-N 3.45Å; E155-N158 PolarHBondContact O-N 2.87Å; E155-L159 WeakPolarHBondContact O-CG 3.25Å; E155-L159 PolarHBondContact O-N 3.16Å
156L89.9Confident89.4Confident4 Ų459.8 Ų59.82%0.02129%0.292CS..Hα-helixtrans-55.2-50.6175.7-179.570.1000112.3L136 Q139 L140 R152 L153 N154 N158 L159 V160 L206L136-L156 HydrophobicContact CD2-CD1 4.45Å; L136-L156 HydrophobicContact CD2-CD2 3.87Å; L136-L156 HydrophobicContact CD2-CG 3.75Å; Q139-L156 HydrophobicContact CB-CD1 3.44Å; Q139-L156 VanDerWaalsContact CB-CD1 3.44Å; L140-L156 HydrophobicContact CB-CD1 4.39Å; L140-L156 HydrophobicContact CD1-CD1 4.43Å; L140-L156 HydrophobicContact CD1-CD2 3.37Å; L140-L156 HydrophobicContact CD2-CD2 4.27Å; L140-L156 HydrophobicContact CG-CD1 3.84Å; L140-L156 HydrophobicContact CG-CD2 3.51Å; L140-L156 HydrophobicContact CG-CG 4.28Å; R152-L156 WeakPolarHBondContact O-CB 3.36Å; R152-L156 PolarHBondContact O-N 2.91Å; R152-L156 VanDerWaalsContact O-N 3.08Å; L153-L156 HydrophobicContact CD1-CD2 4.07Å; L153-L156 WeakPolarHBondContact O-CB 3.42Å; L153-L156 PolarHBondContact O-N 3.09Å; N154-L156 VanDerWaalsContact C-N 3.34Å; N154-L156 PolarHBondContact O-N 2.97Å; L156-N158 VanDerWaalsContact C-N 3.32Å; L156-N158 PolarHBondContact O-N 2.93Å; L156-L159 PolarHBondContact O-N 2.85Å; L156-V160 PolarHBondContact O-N 3.17Å; L156-V160 VanDerWaalsContact O-N 3.16Å; L156-L206 HydrophobicContact CD2-CD1 3.93Å
157C92.3Very high90.3Very high0 Ų059.5 Ų59.50%029%0.291CS..Hα-helixtrans-66.3-36-178.7-69.10000111.8L153 N154 E155 L159 V160 K161 C162L153-C157 WeakPolarHBondContact O-CB 3.38Å; L153-C157 PolarHBondContact O-N 3.3Å; L153-C157 PolarHBondContact O-SG 3.18Å; N154-C157 PolarHBondContact O-N 3.37Å; E155-C157 PolarHBondContact O-N 3.45Å; C157-L159 VanDerWaalsContact C-N 3.34Å; C157-L159 PolarHBondContact O-N 3.48Å; C157-V160 CarbonylContact O-C 3.57Å; C157-V160 PolarHBondContact O-N 3.31Å; C157-K161 WeakPolarHBondContact O-CA 3.26Å; C157-K161 PolarHBondContact O-N 3.38Å; C157-C162 CarbonylContact C-O 3.59Å; C157-C162 WeakPolarHBondContact CB-O 3.41Å; C157-C162 PolarHBondContact O-N 3.31Å
158N89.7Confident90.6Very high79 Ų7955.8 Ų55.842%0.42227%0.27SS..Hα-helixtrans-66.2-34175.6-74.2-30.3000113.2N154 E155 L156 K161N154-N158 PolarHBondContact ND2-ND2 3.1Å; N154-N158 WeakPolarHBondContact O-CB 3.46Å; N154-N158 PolarHBondContact O-N 3.25Å; N154-N158 PolarHBondContact O-ND2 3.27Å; N154-N158 VanDerWaalsContact O-ND2 3.09Å; E155-N158 PolarHBondContact O-N 2.87Å; L156-N158 VanDerWaalsContact C-N 3.32Å; L156-N158 PolarHBondContact O-N 2.93Å; N158-K161 WeakPolarHBondContact O-CD 3.46Å; N158-K161 WeakPolarHBondContact O-CE 3.39Å; N158-K161 PolarHBondContact O-NZ 3.22Å
159L85.6Confident90.4Very high104 Ų10456.3 Ų56.355%0.54528%0.276SS..Hα-helixtrans-68-42.7174.6-71.5170.7000111.2E155 L156 C157 K161E155-L159 WeakPolarHBondContact O-CG 3.25Å; E155-L159 PolarHBondContact O-N 3.16Å; L156-L159 PolarHBondContact O-N 2.85Å; C157-L159 VanDerWaalsContact C-N 3.34Å; C157-L159 PolarHBondContact O-N 3.48Å; L159-K161 VanDerWaalsContact C-N 3.29Å; L159-K161 PolarHBondContact O-N 3.46Å
160V88.7Confident89.6Confident14 Ų1462.6 Ų62.69%0.08531%0.308CS..Hα-helixtrans-84.3-4.8-179.1-174.80000113L132 R135 L136 Q139 L156 C157 C162L132-V160 HydrophobicContact CD1-CG1 3.58Å; R135-V160 HydrophobicContact CB-CG1 3.71Å; R135-V160 HydrophobicContact CB-CG2 4.29Å; L136-V160 HydrophobicContact CD2-CB 3.96Å; L136-V160 HydrophobicContact CD2-CG1 4.28Å; L136-V160 HydrophobicContact CD2-CG2 3.84Å; L136-V160 HydrophobicContact CG-CB 4.42Å; L136-V160 HydrophobicContact CG-CG1 4.21Å; L136-V160 HydrophobicContact CG-CG2 4.29Å; Q139-V160 HydrophobicContact CB-CG2 4.18Å; Q139-V160 HydrophobicContact CG-CG2 3.66Å; L156-V160 PolarHBondContact O-N 3.17Å; L156-V160 VanDerWaalsContact O-N 3.16Å; C157-V160 CarbonylContact O-C 3.57Å; C157-V160 PolarHBondContact O-N 3.31Å; V160-C162 VanDerWaalsContact C-N 3.34Å
161K89.6Confident88.8Confident181 Ų18164.3 Ų64.379%0.78732%0.318SS*.THydrogen-bonded Turntrans58.843.1-177.8-52.3-63.1173.2-154.20112.6C157 N158 L159C157-K161 WeakPolarHBondContact O-CA 3.26Å; C157-K161 PolarHBondContact O-N 3.38Å; N158-K161 WeakPolarHBondContact O-CD 3.46Å; N158-K161 WeakPolarHBondContact O-CE 3.39Å; N158-K161 PolarHBondContact O-NZ 3.22Å; L159-K161 VanDerWaalsContact C-N 3.29Å; L159-K161 PolarHBondContact O-N 3.46Å
162C90.7Very high88.6Confident13 Ų1360.4 Ų60.49%0.08831%0.306CS..  trans-117.3160.5169.864.20000111L132 C157 V160 V177L132-C162 HydrophobicContact CD1-CB 3.67Å; L132-C162 HydrophobicContact CD2-CB 4.44Å; C157-C162 CarbonylContact C-O 3.59Å; C157-C162 WeakPolarHBondContact CB-O 3.41Å; C157-C162 PolarHBondContact O-N 3.31Å; V160-C162 VanDerWaalsContact C-N 3.34Å; C162-V177 HydrophobicContact CB-CG1 4.3Å
163V90.8Very high88.6Confident96 Ų9658.3 Ų58.358%0.58230%0.298SS*.  trans-101.8142.3175.5-179.90000108.4V177 D178V163-V177 CarbonylContact O-C 3.56Å; V163-D178 PolarHBondContact O-N 2.94Å
164W94.8Very high88.6Confident28 Ų2858.6 Ų58.611%0.10630%0.299CS..EExtended strand (participates in β ladder)trans-123.4152.9167.570.6-80.5000109.2I150 L153 N154 T166 L175 L176 V177 K195 C199I150-W164 HydrophobicContact CG2-CH2 4.02Å; I150-W164 HydrophobicContact CG2-CZ2 4.09Å; L153-W164 HydrophobicContact CD2-CD2 3.81Å; L153-W164 HydrophobicContact CD2-CE3 3.83Å; L153-W164 HydrophobicContact CD2-CG 4.16Å; L153-W164 HydrophobicContact CD2-CZ3 4.25Å; L153-W164 HydrophobicContact CG-CD2 4.18Å; L153-W164 HydrophobicContact CG-CG 4.24Å; N154-W164 HydrophobicContact CB-CZ2 4.26Å; N154-W164 PolarHBondContact OD1-NE1 3.28Å; W164-T166 HydrophobicContact CZ3-CG2 4.12Å; W164-L175 HydrophobicContact CE3-CD1 4.26Å; W164-L175 HydrophobicContact CZ3-CD1 4.4Å; W164-L176 CarbonylContact C-O 3.55Å; W164-L176 WeakPolarHBondContact CA-O 3.44Å; W164-L176 WeakPolarHBondContact CB-O 3.43Å; W164-V177 HydrophobicContact CB-CG2 4Å; W164-K195 HydrophobicContact CZ3-CG 4.49Å; W164-C199 WeakPolarHBondContact CH2-SG 3.36Å; W164-C199 WeakPolarHBondContact CZ3-SG 3.41Å
165R93.6Very high88.8Confident74 Ų7456.3 Ų56.328%0.27929%0.287SS..EExtended strand (participates in β ladder)trans-150.3165.317666.4179.6-175.1-84.3-0.6110.8E167 L176 D178 S223R165-E167 IonicContact CZ-OE1 3.44Å; R165-E167 IonicContact NE-OE1 3.06Å; R165-E167 PolarHBondContact NE-OE1 3.35Å; R165-E167 IonicContact NH2-OE1 3.38Å; R165-E167 PolarHBondContact NH2-OE1 3.09Å; R165-L176 HydrophobicContact CG-CB 4.2Å; R165-L176 HydrophobicContact CG-CD1 4.28Å; R165-L176 PolarHBondContact N-O 3.01Å; R165-L176 PolarHBondContact O-N 2.86Å; R165-D178 PolarHBondContact NH1-O 3.39Å; R165-S223 PolarHBondContact NH2-OG 2.68Å
166T93.5Very high89.1Confident29 Ų2953 Ų5318%0.17827%0.272CS..EExtended strand (participates in β ladder)trans-120131.7171.749.30000109.9W164 T174 L175 K195W164-T166 HydrophobicContact CZ3-CG2 4.12Å; T166-T174 CarbonylContact C-O 3.58Å; T166-T174 VanDerWaalsContact CA-O 3.24Å; T166-T174 WeakPolarHBondContact CA-O 3.37Å; T166-L175 HydrophobicContact CG2-CB 4.2Å; T166-L175 HydrophobicContact CG2-CD1 4.1Å; T166-L175 HydrophobicContact CG2-CG 4.13Å; T166-K195 HydrophobicContact CG2-CG 4.05Å
167E90.4Very high89.3Confident49 Ų4952.9 Ų52.923%0.22927%0.271CS..EExtended strand (participates in β ladder)trans-102.2115.3171-69.3-178.4-15700108R165 T174 L176 I221 G222R165-E167 IonicContact CZ-OE1 3.44Å; R165-E167 IonicContact NE-OE1 3.06Å; R165-E167 PolarHBondContact NE-OE1 3.35Å; R165-E167 IonicContact NH2-OE1 3.38Å; R165-E167 PolarHBondContact NH2-OE1 3.09Å; E167-T174 PolarHBondContact N-O 2.87Å; E167-T174 PolarHBondContact O-N 2.87Å; E167-L176 HydrophobicContact CB-CD1 4.19Å; E167-L176 HydrophobicContact CG-CD1 3.79Å; E167-I221 WeakPolarHBondContact OE2-CG2 3.43Å; E167-G222 WeakPolarHBondContact OE1-CA 3.27Å; E167-G222 PolarHBondContact OE2-N 2.66Å
168L87.3Confident89.2Confident81 Ų8154.8 Ų54.842%0.42428%0.281SS..EExtended strand (participates in β ladder)trans-99128.6-179.8-72.4161.7000109.3C173 P191 A194L168-C173 HydrophobicContact CD2-CB 3.73Å; L168-P191 HydrophobicContact CD1-CB 3.93Å; L168-A194 HydrophobicContact CD2-CB 4.45Å
169T83.3Confident89.2Confident79 Ų7952.1 Ų52.149%0.48527%0.266SS..  trans-110.4-179.7162.370.30000108.7N171 E172 H187T169-N171 PolarHBondContact O-N 3.49Å; T169-N171 VanDerWaalsContact O-N 3.09Å; T169-E172 PolarHBondContact N-O 3.48Å; T169-E172 WeakPolarHBondContact OG1-CB 3.39Å; T169-E172 PolarHBondContact OG1-N 2.79Å; T169-E172 VanDerWaalsContact OG1-N 3.09Å; T169-E172 PolarHBondContact OG1-O 2.93Å; T169-H187 PolarHBondContact O-NE2 2.87Å
170N73Confident89.6Confident153 Ų15347.1 Ų47.182%0.81824%0.24SC*.SBendtrans-51.4-37.4-179.6-65.9-8.9000113.2
171N77.6Confident89.9Confident71 Ų7146.6 Ų46.638%0.3824%0.237SC..SBendtrans-129.7-3.3-172.6-59.319000113.1T169 L186 H187T169-N171 PolarHBondContact O-N 3.49Å; T169-N171 VanDerWaalsContact O-N 3.09Å; N171-L186 HydrophobicContact CB-CD2 4.45Å; N171-L186 CarbonylContact O-C 3.58Å; N171-L186 VanDerWaalsContact O-CA 3.26Å; N171-L186 WeakPolarHBondContact O-CA 3.47Å; N171-L186 VanDerWaalsContact O-CD2 3.29Å; N171-L186 WeakPolarHBondContact O-CD2 3.45Å; N171-H187 VanDerWaalsContact C-CD2 3.46Å; N171-H187 PolarHBondContact O-N 3.22Å
172E86Confident90.1Very high54 Ų5438 Ų3825%0.25220%0.199SC..EExtended strand (participates in β ladder)trans-130.1139.6-176.3-64.2176.9172.800112.2T169 T184 Q185 L186 H187 R245T169-E172 PolarHBondContact N-O 3.48Å; T169-E172 WeakPolarHBondContact OG1-CB 3.39Å; T169-E172 PolarHBondContact OG1-N 2.79Å; T169-E172 VanDerWaalsContact OG1-N 3.09Å; T169-E172 PolarHBondContact OG1-O 2.93Å; E172-T184 HydrophobicContact CB-CG2 4.07Å; E172-T184 HydrophobicContact CG-CG2 4.27Å; E172-Q185 CarbonylContact C-O 3.57Å; E172-Q185 VanDerWaalsContact CA-O 3.3Å; E172-Q185 WeakPolarHBondContact CA-O 3.23Å; E172-L186 HydrophobicContact CG-CD2 3.87Å; E172-H187 PolarHBondContact N-CD2 3.11Å; E172-H187 PolarHBondContact O-NE2 3.28Å; E172-R245 IonicContact OE1-CZ 3.81Å; E172-R245 IonicContact OE1-NH1 3.39Å; E172-R245 PolarHBondContact OE1-NH1 3Å; E172-R245 IonicContact OE1-NH2 3.84Å; E172-R245 PolarHBondContact OE1-NH2 3.39Å; E172-R245 IonicContact OE2-NH1 3.98Å
173C89.8Confident90.3Very high0 Ų037.3 Ų37.30%020%0.195CC..EExtended strand (participates in β ladder)trans-113.9113.4169.8-1800000107.5L168 Q185 H187 A194L168-C173 HydrophobicContact CD2-CB 3.73Å; C173-Q185 HydrophobicContact CB-CG 4.15Å; C173-Q185 PolarHBondContact N-O 3.28Å; C173-Q185 PolarHBondContact O-N 2.93Å; C173-H187 PolarHBondContact N-CD2 2.96Å; C173-A194 HydrophobicContact CB-CB 4.28Å
174T93.1Very high90.4Very high5 Ų533.4 Ų33.43%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-104.2124.9176.4-62.80000109.1T166 E167 L176 I181 L183 T184 I221T166-T174 CarbonylContact C-O 3.58Å; T166-T174 VanDerWaalsContact CA-O 3.24Å; T166-T174 WeakPolarHBondContact CA-O 3.37Å; E167-T174 PolarHBondContact N-O 2.87Å; E167-T174 PolarHBondContact O-N 2.87Å; T174-L176 HydrophobicContact CG2-CD1 4.02Å; T174-L176 HydrophobicContact CG2-CG 4.36Å; T174-I181 HydrophobicContact CG2-CG1 4.33Å; T174-I181 HydrophobicContact CG2-CG2 3.79Å; T174-L183 WeakPolarHBondContact CA-O 3.48Å; T174-T184 WeakPolarHBondContact OG1-CG2 3.26Å; T174-T184 PolarHBondContact OG1-OG1 2.97Å; T174-I221 HydrophobicContact CG2-CG2 4.32Å
175L95.8Very high90.2Very high0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-101.2128.8176.6-170.6150.1000110.3L153 W164 T166 V177 L182 L183 A198 A202L153-L175 HydrophobicContact CD2-CD1 3.75Å; L153-L175 HydrophobicContact CD2-CD2 4.31Å; W164-L175 HydrophobicContact CE3-CD1 4.26Å; W164-L175 HydrophobicContact CZ3-CD1 4.4Å; T166-L175 HydrophobicContact CG2-CB 4.2Å; T166-L175 HydrophobicContact CG2-CD1 4.1Å; T166-L175 HydrophobicContact CG2-CG 4.13Å; L175-V177 HydrophobicContact CD2-CG2 4.07Å; L175-L182 HydrophobicContact CD2-CB 4.15Å; L175-L182 HydrophobicContact CD2-CD2 3.99Å; L175-L182 PolarHBondContact O-N 3.43Å; L175-L183 HydrophobicContact CB-CG 4.18Å; L175-L183 PolarHBondContact N-O 3.32Å; L175-A198 HydrophobicContact CB-CB 4.21Å; L175-A198 HydrophobicContact CD1-CB 3.92Å; L175-A202 HydrophobicContact CD1-CB 3.94Å; L175-A202 HydrophobicContact CD2-CB 3.83Å; L175-A202 HydrophobicContact CG-CB 4.49Å
176L95Very high89.7Confident0 Ų028.9 Ų28.90%015%0.154CC..EExtended strand (participates in β ladder)trans-118.3139.6178.4-55.996.5000110.2W164 R165 E167 T174 V180 I181 A224W164-L176 CarbonylContact C-O 3.55Å; W164-L176 WeakPolarHBondContact CA-O 3.44Å; W164-L176 WeakPolarHBondContact CB-O 3.43Å; R165-L176 HydrophobicContact CG-CB 4.2Å; R165-L176 HydrophobicContact CG-CD1 4.28Å; R165-L176 PolarHBondContact N-O 3.01Å; R165-L176 PolarHBondContact O-N 2.86Å; E167-L176 HydrophobicContact CB-CD1 4.19Å; E167-L176 HydrophobicContact CG-CD1 3.79Å; T174-L176 HydrophobicContact CG2-CD1 4.02Å; T174-L176 HydrophobicContact CG2-CG 4.36Å; L176-V180 CarbonylContact C-O 3.5Å; L176-V180 VanDerWaalsContact CA-O 3.23Å; L176-V180 WeakPolarHBondContact CA-O 3.3Å; L176-I181 HydrophobicContact CD2-CG1 3.84Å; L176-I181 HydrophobicContact CG-CG1 4.2Å; L176-A224 HydrophobicContact CD2-CB 3.77Å
177V94.6Very high89Confident0 Ų028.4 Ų28.40%015%0.15CC..EExtended strand (participates in β ladder)trans-115.4118.4163.8-178.60000106.7L132 L136 C162 V163 W164 L175 E179 V180 L182L132-V177 HydrophobicContact CD2-CG1 4.39Å; L136-V177 HydrophobicContact CD1-CG1 4.03Å; C162-V177 HydrophobicContact CB-CG1 4.3Å; V163-V177 CarbonylContact O-C 3.56Å; W164-V177 HydrophobicContact CB-CG2 4Å; L175-V177 HydrophobicContact CD2-CG2 4.07Å; V177-E179 PolarHBondContact O-N 2.84Å; V177-E179 VanDerWaalsContact O-N 3.17Å; V177-V180 PolarHBondContact N-O 2.91Å; V177-V180 WeakPolarHBondContact O-CB 3.09Å; V177-V180 PolarHBondContact O-N 3.43Å; V177-L182 HydrophobicContact CB-CD1 3.73Å; V177-L182 HydrophobicContact CG2-CD1 3.67Å; V177-L182 HydrophobicContact CG2-CD2 3.65Å; V177-L182 HydrophobicContact CG2-CG 4.31Å
178D91.1Very high88.1Confident40 Ų4028.9 Ų28.921%0.21415%0.15CC..THydrogen-bonded Turntrans56.5-111.1-172.7-15730.2000111.3R128 L132 V163 R165R128-D178 IonicContact CZ-OD2 3.71Å; R128-D178 IonicContact NH1-OD2 2.83Å; R128-D178 PolarHBondContact NH1-OD2 3.11Å; R128-D178 IonicContact NH2-OD2 3.6Å; R128-D178 PolarHBondContact NH2-OD2 3.37Å; L132-D178 HydrophobicContact CD2-CB 4.2Å; V163-D178 PolarHBondContact O-N 2.94Å; R165-D178 PolarHBondContact NH1-O 3.39Å
179E89.7Confident87Confident23 Ų2327.5 Ų27.511%0.10716%0.155CC..THydrogen-bonded Turntrans-108.522.7177.2-61.3179.5143.900112.3R128 V177 A224 K225 F226R128-E179 IonicContact NH2-OE2 3.58Å; V177-E179 PolarHBondContact O-N 2.84Å; V177-E179 VanDerWaalsContact O-N 3.17Å; E179-A224 CarbonylContact O-C 3.48Å; E179-A224 WeakPolarHBondContact O-CA 3.23Å; E179-K225 HydrophobicContact CB-CB 4.33Å; E179-K225 HydrophobicContact CB-CG 4.29Å; E179-K225 PolarHBondContact O-N 3.19Å; E179-K225 WeakPolarHBondContact OE1-CE 3.22Å; E179-K225 IonicContact OE1-NZ 3.3Å; E179-K225 PolarHBondContact OE1-NZ 3.05Å; E179-K225 WeakPolarHBondContact OE2-CD 3.27Å; E179-K225 WeakPolarHBondContact OE2-CE 3.47Å; E179-K225 IonicContact OE2-NZ 3.78Å; E179-K225 PolarHBondContact OE2-NZ 2.67Å; E179-F226 PolarHBondContact O-N 3.4Å; E179-F226 VanDerWaalsContact O-N 3.12Å
180V93.4Very high86.6Confident0 Ų027.2 Ų27.20%015%0.151CC..EExtended strand (participates in β ladder)trans-122.2124.5-174.7-168.20000111.4V129 F133 L176 V177 L182 L213 F226 L228V129-V180 HydrophobicContact CG1-CG2 3.47Å; V129-V180 VanDerWaalsContact CG1-CG2 3.47Å; V129-V180 HydrophobicContact CG2-CG2 4.35Å; F133-V180 HydrophobicContact CE2-CB 4.07Å; F133-V180 HydrophobicContact CE2-CG1 3.85Å; F133-V180 HydrophobicContact CE2-CG2 3.94Å; F133-V180 HydrophobicContact CZ-CB 3.88Å; F133-V180 HydrophobicContact CZ-CG1 3.72Å; F133-V180 HydrophobicContact CZ-CG2 4.23Å; L176-V180 CarbonylContact C-O 3.5Å; L176-V180 VanDerWaalsContact CA-O 3.23Å; L176-V180 WeakPolarHBondContact CA-O 3.3Å; V177-V180 PolarHBondContact N-O 2.91Å; V177-V180 WeakPolarHBondContact O-CB 3.09Å; V177-V180 PolarHBondContact O-N 3.43Å; V180-L182 HydrophobicContact CB-CD1 4.42Å; V180-L182 HydrophobicContact CG1-CD1 4.43Å; V180-L182 WeakPolarHBondContact O-CD1 3.34Å; V180-L182 PolarHBondContact O-N 3.25Å; V180-L213 HydrophobicContact CG1-CD2 4.02Å; V180-F226 WeakPolarHBondContact CA-O 3.4Å; V180-F226 HydrophobicContact CG1-CB 4.11Å; V180-F226 HydrophobicContact CG2-CB 4.11Å; V180-F226 HydrophobicContact CG2-CD2 4.4Å; V180-L228 HydrophobicContact CG1-CB 3.94Å
181I94.5Very high87.1Confident2 Ų223.2 Ų23.21%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-75.8119.1170.8-61.9163.7000108.2T174 L176 V216 I221 A224 F226 Q227 L228 P241T174-I181 HydrophobicContact CG2-CG1 4.33Å; T174-I181 HydrophobicContact CG2-CG2 3.79Å; L176-I181 HydrophobicContact CD2-CG1 3.84Å; L176-I181 HydrophobicContact CG-CG1 4.2Å; I181-V216 HydrophobicContact CD1-CG2 4.4Å; I181-I221 HydrophobicContact CD1-CB 4.2Å; I181-I221 HydrophobicContact CD1-CD1 4.18Å; I181-A224 HydrophobicContact CD1-CB 3.71Å; I181-A224 HydrophobicContact CG1-CB 3.65Å; I181-F226 PolarHBondContact N-O 3.28Å; I181-Q227 HydrophobicContact CB-CG 4.03Å; I181-Q227 HydrophobicContact CD1-CG 3.99Å; I181-L228 PolarHBondContact O-N 3.39Å; I181-P241 HydrophobicContact CG2-CB 3.78Å; I181-P241 HydrophobicContact CG2-CG 3.98Å
182L95Very high87.5Confident0 Ų024.3 Ų24.30%014%0.139CC..EExtended strand (participates in β ladder)trans-87.2-46.5175.9-88.364.9000111.1F133 L175 V177 V180 A202 L206 L228F133-L182 HydrophobicContact CE1-CD1 3.86Å; F133-L182 HydrophobicContact CE1-CD2 4.42Å; F133-L182 HydrophobicContact CE1-CG 4.2Å; F133-L182 HydrophobicContact CZ-CD1 3.78Å; L175-L182 HydrophobicContact CD2-CB 4.15Å; L175-L182 HydrophobicContact CD2-CD2 3.99Å; L175-L182 PolarHBondContact O-N 3.43Å; V177-L182 HydrophobicContact CB-CD1 3.73Å; V177-L182 HydrophobicContact CG2-CD1 3.67Å; V177-L182 HydrophobicContact CG2-CD2 3.65Å; V177-L182 HydrophobicContact CG2-CG 4.31Å; V180-L182 HydrophobicContact CB-CD1 4.42Å; V180-L182 HydrophobicContact CG1-CD1 4.43Å; V180-L182 WeakPolarHBondContact O-CD1 3.34Å; V180-L182 PolarHBondContact O-N 3.25Å; L182-A202 HydrophobicContact CD2-CB 3.98Å; L182-L206 HydrophobicContact CD2-CD1 4.21Å; L182-L206 HydrophobicContact CD2-CD2 3.98Å; L182-L206 HydrophobicContact CD2-CG 3.98Å; L182-L228 HydrophobicContact CG-CD2 4.11Å
183L95Very high87.4Confident0 Ų023.4 Ų23.40%013%0.134CC..EExtended strand (participates in β ladder)trans-154.5154.9-178.369.398.6000111.2T174 L175 Q185 A198 A201 A202 I205 W244T174-L183 WeakPolarHBondContact CA-O 3.48Å; L175-L183 HydrophobicContact CB-CG 4.18Å; L175-L183 PolarHBondContact N-O 3.32Å; L183-Q185 HydrophobicContact CD1-CB 4.01Å; L183-Q185 HydrophobicContact CD1-CG 3.9Å; L183-A198 HydrophobicContact CD1-CB 4.18Å; L183-A198 WeakPolarHBondContact CD2-O 3.3Å; L183-A201 HydrophobicContact CD2-CB 3.64Å; L183-A202 HydrophobicContact CD2-CB 4.02Å; L183-I205 HydrophobicContact CB-CD1 3.69Å; L183-I205 HydrophobicContact CD2-CD1 3.6Å; L183-I205 HydrophobicContact CG-CD1 4.3Å; L183-W244 HydrophobicContact CB-CB 4.03Å; L183-W244 HydrophobicContact CB-CG 4.26Å
184T92.1Very high87.1Confident13 Ų1323.7 Ų23.78%0.0814%0.137CC..EExtended strand (participates in β ladder)trans-125124.3163.7-620000107.6E172 T174 P241 R245E172-T184 HydrophobicContact CB-CG2 4.07Å; E172-T184 HydrophobicContact CG-CG2 4.27Å; T174-T184 WeakPolarHBondContact OG1-CG2 3.26Å; T174-T184 PolarHBondContact OG1-OG1 2.97Å; T184-P241 PolarHBondContact N-O 3.04Å; T184-P241 VanDerWaalsContact N-O 3.12Å; T184-R245 WeakPolarHBondContact O-CA 3.29Å; T184-R245 PolarHBondContact O-N 3.26Å
185Q89.7Confident87Confident1 Ų125.9 Ų25.91%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-122.2149.4176.968.6176.8300112.5E172 C173 L183 A194 A198E172-Q185 CarbonylContact C-O 3.57Å; E172-Q185 VanDerWaalsContact CA-O 3.3Å; E172-Q185 WeakPolarHBondContact CA-O 3.23Å; C173-Q185 HydrophobicContact CB-CG 4.15Å; C173-Q185 PolarHBondContact N-O 3.28Å; C173-Q185 PolarHBondContact O-N 2.93Å; L183-Q185 HydrophobicContact CD1-CB 4.01Å; L183-Q185 HydrophobicContact CD1-CG 3.9Å; Q185-A194 PolarHBondContact NE2-O 3.49Å; Q185-A198 VanDerWaalsContact NE2-CA 3.32Å
186L83.8Confident86.8Confident6 Ų628.1 Ų28.13%0.03116%0.157CC..EExtended strand (participates in β ladder)trans-74.6145171.4-70.6168.8000110.1N171 E172 W188 R245 L246 V356N171-L186 HydrophobicContact CB-CD2 4.45Å; N171-L186 CarbonylContact O-C 3.58Å; N171-L186 VanDerWaalsContact O-CA 3.26Å; N171-L186 WeakPolarHBondContact O-CA 3.47Å; N171-L186 VanDerWaalsContact O-CD2 3.29Å; N171-L186 WeakPolarHBondContact O-CD2 3.45Å; E172-L186 HydrophobicContact CG-CD2 3.87Å; L186-W188 HydrophobicContact CB-CE3 4.47Å; L186-W188 HydrophobicContact CB-CH2 3.34Å; L186-W188 HydrophobicContact CB-CZ2 4.19Å; L186-W188 HydrophobicContact CB-CZ3 3.46Å; L186-W188 VanDerWaalsContact CB-CZ3 3.46Å; L186-W188 HydrophobicContact CD1-CH2 3.6Å; L186-W188 HydrophobicContact CD1-CZ2 4.25Å; L186-W188 HydrophobicContact CD1-CZ3 4.47Å; L186-W188 HydrophobicContact CD2-CH2 4.16Å; L186-W188 HydrophobicContact CD2-CZ2 4.27Å; L186-W188 HydrophobicContact CG-CH2 3.88Å; L186-W188 HydrophobicContact CG-CZ2 4.48Å; L186-W188 HydrophobicContact CG-CZ3 4.47Å; L186-R245 PolarHBondContact N-O 3.09Å; L186-L246 HydrophobicContact CD1-CD2 3.95Å; L186-V356 HydrophobicContact CD1-CG2 3.96Å
187H79.9Confident86.4Confident19 Ų1929.3 Ų29.39%0.08816%0.163CC..  trans-144.3149.3171.877.9102.8000110.7T169 N171 E172 C173 A194T169-H187 PolarHBondContact O-NE2 2.87Å; N171-H187 VanDerWaalsContact C-CD2 3.46Å; N171-H187 PolarHBondContact O-N 3.22Å; E172-H187 PolarHBondContact N-CD2 3.11Å; E172-H187 PolarHBondContact O-NE2 3.28Å; C173-H187 PolarHBondContact N-CD2 2.96Å; H187-A194 HydrophobicContact CB-CB 3.47Å; H187-A194 VanDerWaalsContact CB-CB 3.47Å
188W70Confident86.4Confident59 Ų5929.3 Ų29.322%0.22316%0.163CC..  trans-140.3126.8170.3-60.1-94.6000107.3L186 L249 G354 V356L186-W188 HydrophobicContact CB-CE3 4.47Å; L186-W188 HydrophobicContact CB-CH2 3.34Å; L186-W188 HydrophobicContact CB-CZ2 4.19Å; L186-W188 HydrophobicContact CB-CZ3 3.46Å; L186-W188 VanDerWaalsContact CB-CZ3 3.46Å; L186-W188 HydrophobicContact CD1-CH2 3.6Å; L186-W188 HydrophobicContact CD1-CZ2 4.25Å; L186-W188 HydrophobicContact CD1-CZ3 4.47Å; L186-W188 HydrophobicContact CD2-CH2 4.16Å; L186-W188 HydrophobicContact CD2-CZ2 4.27Å; L186-W188 HydrophobicContact CG-CH2 3.88Å; L186-W188 HydrophobicContact CG-CZ2 4.48Å; L186-W188 HydrophobicContact CG-CZ3 4.47Å; W188-L249 HydrophobicContact CE3-CD1 4.06Å; W188-L249 HydrophobicContact CE3-CD2 4.27Å; W188-L249 HydrophobicContact CH2-CD1 4.12Å; W188-L249 HydrophobicContact CZ3-CD1 3.29Å; W188-L249 HydrophobicContact CZ3-CD2 4.3Å; W188-L249 HydrophobicContact CZ3-CG 4.08Å; W188-G354 VanDerWaalsContact CZ2-O 3.3Å; W188-G354 WeakPolarHBondContact CZ2-O 3.44Å; W188-V356 HydrophobicContact CH2-CB 4.26Å; W188-V356 HydrophobicContact CH2-CG2 3.42Å; W188-V356 VanDerWaalsContact CH2-CG2 3.42Å; W188-V356 HydrophobicContact CZ2-CG2 4.11Å; W188-V356 HydrophobicContact CZ3-CG2 4.27Å
189G65.8Low86.5Confident52 Ų5227.4 Ų27.454%0.53615%0.153SC..SBendtrans103.3-132.9-179.100000112.7P191G189-P191 VanDerWaalsContact O-CD 3.25Å; G189-P191 WeakPolarHBondContact O-CD 3.42Å
190D74.9Confident86.6Confident74 Ų7428.9 Ų28.940%0.39616%0.162SC..  trans-65.2116.1-168179.216.4000112.7L192 Q193 A194D190-L192 PolarHBondContact O-N 2.88Å; D190-L192 WeakPolarHBondContact OD1-CB 3.21Å; D190-L192 PolarHBondContact OD1-N 2.7Å; D190-Q193 HydrophobicContact CB-CB 4.26Å; D190-Q193 PolarHBondContact O-N 3.05Å; D190-A194 PolarHBondContact O-N 2.89Å; D190-A194 VanDerWaalsContact O-N 3.11Å
191P83.2Confident86.5Confident68 Ų6828.9 Ų28.944%0.44216%0.162SC..Hα-helixtrans-57.8-29.6175.9-25.536.1000114L168 G189 A194 K195L168-P191 HydrophobicContact CD1-CB 3.93Å; G189-P191 VanDerWaalsContact O-CD 3.25Å; G189-P191 WeakPolarHBondContact O-CD 3.42Å; P191-A194 PolarHBondContact O-N 2.67Å; P191-K195 WeakPolarHBondContact O-CB 3.35Å; P191-K195 PolarHBondContact O-N 3.23Å
192L86.2Confident86.5Confident95 Ų9528.8 Ų28.850%0.49716%0.161SC..Hα-helixtrans-68.6-46.7178.7177.961.7000111I150 D190 A194 K195 M196I150-L192 HydrophobicContact CD1-CD1 3.73Å; D190-L192 PolarHBondContact O-N 2.88Å; D190-L192 WeakPolarHBondContact OD1-CB 3.21Å; D190-L192 PolarHBondContact OD1-N 2.7Å; L192-A194 VanDerWaalsContact C-N 3.3Å; L192-A194 PolarHBondContact O-N 2.93Å; L192-K195 WeakPolarHBondContact O-CB 3.47Å; L192-K195 PolarHBondContact O-N 2.87Å; L192-K195 VanDerWaalsContact O-N 3.11Å; L192-M196 HydrophobicContact CG-SD 4.38Å; L192-M196 WeakPolarHBondContact O-CG 3.18Å; L192-M196 PolarHBondContact O-N 2.98Å
193Q82.8Confident86.4Confident34 Ų3429 Ų2916%0.15916%0.162CC..Hα-helixtrans-62.7-38.9175.7-170.159.548.500111.6D190 K195 M196 N197 C284D190-Q193 HydrophobicContact CB-CB 4.26Å; D190-Q193 PolarHBondContact O-N 3.05Å; Q193-K195 VanDerWaalsContact C-N 3.28Å; Q193-K195 PolarHBondContact O-N 3.47Å; Q193-M196 PolarHBondContact O-N 3.25Å; Q193-N197 PolarHBondContact NE2-OD1 2.93Å; Q193-N197 WeakPolarHBondContact O-CB 3.41Å; Q193-N197 PolarHBondContact O-N 2.81Å; Q193-C284 HydrophobicContact CG-CB 4.44Å
194A84.3Confident86.1Confident6 Ų632.4 Ų32.45%0.0518%0.178CC..Hα-helixtrans-58.7-40.7173.100000111.9L168 C173 Q185 H187 D190 P191 L192 A198L168-A194 HydrophobicContact CD2-CB 4.45Å; C173-A194 HydrophobicContact CB-CB 4.28Å; Q185-A194 PolarHBondContact NE2-O 3.49Å; H187-A194 HydrophobicContact CB-CB 3.47Å; H187-A194 VanDerWaalsContact CB-CB 3.47Å; D190-A194 PolarHBondContact O-N 2.89Å; D190-A194 VanDerWaalsContact O-N 3.11Å; P191-A194 PolarHBondContact O-N 2.67Å; L192-A194 VanDerWaalsContact C-N 3.3Å; L192-A194 PolarHBondContact O-N 2.93Å; A194-A198 WeakPolarHBondContact O-CB 3.45Å; A194-A198 PolarHBondContact O-N 3.3Å; A194-A198 VanDerWaalsContact O-N 3.11Å
195K91.2Very high86.2Confident52 Ų5231.8 Ų31.823%0.22618%0.175CC..Hα-helixtrans-69-43.5175.6-173.3172.4-176.9176.30112.1I150 W164 T166 P191 L192 Q193 N197 A198 C199I150-K195 HydrophobicContact CD1-CB 4.31Å; I150-K195 HydrophobicContact CD1-CD 4.1Å; I150-K195 HydrophobicContact CD1-CG 3.92Å; I150-K195 HydrophobicContact CG1-CG 4.23Å; W164-K195 HydrophobicContact CZ3-CG 4.49Å; T166-K195 HydrophobicContact CG2-CG 4.05Å; P191-K195 WeakPolarHBondContact O-CB 3.35Å; P191-K195 PolarHBondContact O-N 3.23Å; L192-K195 WeakPolarHBondContact O-CB 3.47Å; L192-K195 PolarHBondContact O-N 2.87Å; L192-K195 VanDerWaalsContact O-N 3.11Å; Q193-K195 VanDerWaalsContact C-N 3.28Å; Q193-K195 PolarHBondContact O-N 3.47Å; K195-N197 PolarHBondContact O-N 3.48Å; K195-A198 PolarHBondContact O-N 3.04Å; K195-C199 PolarHBondContact O-N 3.39Å; K195-C199 PolarHBondContact O-SG 3.06Å
196M90Very high86.2Confident47 Ų4731.8 Ų31.823%0.23218%0.175CC..Hα-helixtrans-59-48.1176.6-741775800111.8P149 I150 L192 Q193 A198 C199 D200P149-M196 WeakPolarHBondContact CB-O 3.41Å; I150-M196 HydrophobicContact CD1-CG 3.57Å; I150-M196 HydrophobicContact CG1-CG 3.96Å; L192-M196 HydrophobicContact CG-SD 4.38Å; L192-M196 WeakPolarHBondContact O-CG 3.18Å; L192-M196 PolarHBondContact O-N 2.98Å; Q193-M196 PolarHBondContact O-N 3.25Å; M196-A198 VanDerWaalsContact C-N 3.28Å; M196-A198 PolarHBondContact O-N 3.39Å; M196-C199 PolarHBondContact O-N 3.13Å; M196-D200 PolarHBondContact O-N 3.24Å
197N88Confident86.4Confident25 Ų2535.6 Ų35.613%0.13419%0.192CC..Hα-helixtrans-60.5-38.9176.6-73.3-7.2000111.6Q193 K195 D200 A201Q193-N197 PolarHBondContact NE2-OD1 2.93Å; Q193-N197 WeakPolarHBondContact O-CB 3.41Å; Q193-N197 PolarHBondContact O-N 2.81Å; K195-N197 PolarHBondContact O-N 3.48Å; N197-D200 PolarHBondContact O-N 2.86Å; N197-A201 WeakPolarHBondContact O-CB 3.42Å; N197-A201 PolarHBondContact O-N 3.06Å
198A93.3Very high86.7Confident0 Ų035.9 Ų35.90%019%0.193CC..Hα-helixtrans-67.1-42.3178.700000110.7L175 L183 Q185 A194 K195 M196 D200 A201 A202L175-A198 HydrophobicContact CB-CB 4.21Å; L175-A198 HydrophobicContact CD1-CB 3.92Å; L183-A198 HydrophobicContact CD1-CB 4.18Å; L183-A198 WeakPolarHBondContact CD2-O 3.3Å; Q185-A198 VanDerWaalsContact NE2-CA 3.32Å; A194-A198 WeakPolarHBondContact O-CB 3.45Å; A194-A198 PolarHBondContact O-N 3.3Å; A194-A198 VanDerWaalsContact O-N 3.11Å; K195-A198 PolarHBondContact O-N 3.04Å; M196-A198 VanDerWaalsContact C-N 3.28Å; M196-A198 PolarHBondContact O-N 3.39Å; A198-D200 VanDerWaalsContact C-N 3.35Å; A198-D200 PolarHBondContact O-N 3.38Å; A198-A201 PolarHBondContact O-N 2.91Å; A198-A202 VanDerWaalsContact O-CB 3.24Å; A198-A202 WeakPolarHBondContact O-CB 3.49Å; A198-A202 PolarHBondContact O-N 3.49Å
199C93.9Very high87.1Confident0 Ų035.1 Ų35.10%020%0.195CC..Hα-helixtrans-64.6-39177.1-65.90000112.5P149 I150 L153 W164 K195 M196 A202 C203P149-C199 HydrophobicContact CB-CB 3.9Å; P149-C199 WeakPolarHBondContact O-CB 3.47Å; I150-C199 HydrophobicContact CG1-CB 4.43Å; L153-C199 HydrophobicContact CB-CB 4.21Å; L153-C199 HydrophobicContact CD2-CB 4.01Å; W164-C199 WeakPolarHBondContact CH2-SG 3.36Å; W164-C199 WeakPolarHBondContact CZ3-SG 3.41Å; K195-C199 PolarHBondContact O-N 3.39Å; K195-C199 PolarHBondContact O-SG 3.06Å; M196-C199 PolarHBondContact O-N 3.13Å; C199-A202 PolarHBondContact O-N 3.04Å; C199-C203 PolarHBondContact O-N 3.12Å; C199-C203 PolarHBondContact O-SG 3.31Å
200D90.7Very high87.9Confident54 Ų5433.5 Ų33.529%0.28918%0.176SC..Hα-helixtrans-65.1-48.2176.5-172.159.3000111.4P149 M196 N197 A198 A202 C203 E204 R251P149-D200 HydrophobicContact CB-CB 3.98Å; P149-D200 HydrophobicContact CG-CB 4.08Å; M196-D200 PolarHBondContact O-N 3.24Å; N197-D200 PolarHBondContact O-N 2.86Å; A198-D200 VanDerWaalsContact C-N 3.35Å; A198-D200 PolarHBondContact O-N 3.38Å; D200-A202 VanDerWaalsContact C-N 3.3Å; D200-A202 PolarHBondContact O-N 3.39Å; D200-C203 WeakPolarHBondContact O-CB 3.5Å; D200-C203 PolarHBondContact O-N 2.82Å; D200-E204 PolarHBondContact O-N 3.27Å; D200-E204 VanDerWaalsContact O-N 3.09Å; D200-R251 WeakPolarHBondContact OD2-CD 3.48Å; D200-R251 IonicContact OD2-CZ 3.36Å; D200-R251 IonicContact OD2-NE 3.77Å; D200-R251 IonicContact OD2-NH1 3.21Å; D200-R251 PolarHBondContact OD2-NH1 2.85Å
201A92.8Very high88.6Confident0 Ų032.5 Ų32.50%017%0.169CC..Hα-helixtrans-61.8-37.6175.400000112.4L183 N197 A198 E204 I205L183-A201 HydrophobicContact CD2-CB 3.64Å; N197-A201 WeakPolarHBondContact O-CB 3.42Å; N197-A201 PolarHBondContact O-N 3.06Å; A198-A201 PolarHBondContact O-N 2.91Å; A201-E204 WeakPolarHBondContact O-CB 3.35Å; A201-E204 PolarHBondContact O-N 3.35Å; A201-I205 WeakPolarHBondContact O-CD1 3.28Å; A201-I205 VanDerWaalsContact O-CG1 3.25Å; A201-I205 WeakPolarHBondContact O-CG1 3.46Å; A201-I205 PolarHBondContact O-N 2.8Å
202A94.8Very high88.9Confident0 Ų036.7 Ų36.70%018%0.176CC..Hα-helixtrans-62.6-43.3174.900000111.6L153 L175 L182 L183 A198 C199 D200 E204 I205 L206L153-A202 HydrophobicContact CD2-CB 4.29Å; L175-A202 HydrophobicContact CD1-CB 3.94Å; L175-A202 HydrophobicContact CD2-CB 3.83Å; L175-A202 HydrophobicContact CG-CB 4.49Å; L182-A202 HydrophobicContact CD2-CB 3.98Å; L183-A202 HydrophobicContact CD2-CB 4.02Å; A198-A202 VanDerWaalsContact O-CB 3.24Å; A198-A202 WeakPolarHBondContact O-CB 3.49Å; A198-A202 PolarHBondContact O-N 3.49Å; C199-A202 PolarHBondContact O-N 3.04Å; D200-A202 VanDerWaalsContact C-N 3.3Å; D200-A202 PolarHBondContact O-N 3.39Å; A202-E204 VanDerWaalsContact C-N 3.31Å; A202-E204 PolarHBondContact O-N 3.37Å; A202-I205 PolarHBondContact O-N 2.88Å; A202-L206 WeakPolarHBondContact O-CB 3.44Å; A202-L206 WeakPolarHBondContact O-CG 3.49Å; A202-L206 PolarHBondContact O-N 3.39Å
203C91.7Very high89.1Confident3 Ų333 Ų332%0.0216%0.156CC..Hα-helixtrans-60.4-41.9175.3-68.40000111.7L140 C199 D200 L206 Q207L140-C203 HydrophobicContact CD2-CB 4.13Å; C199-C203 PolarHBondContact O-N 3.12Å; C199-C203 PolarHBondContact O-SG 3.31Å; D200-C203 WeakPolarHBondContact O-CB 3.5Å; D200-C203 PolarHBondContact O-N 2.82Å; C203-L206 PolarHBondContact O-N 3.01Å; C203-Q207 VanDerWaalsContact O-CG 3.29Å; C203-Q207 WeakPolarHBondContact O-CG 3.36Å; C203-Q207 PolarHBondContact O-N 2.88Å; C203-Q207 VanDerWaalsContact O-N 3.11Å
204E89.9Confident89.5Confident73 Ų7333.5 Ų33.534%0.34116%0.161SC..Hα-helixtrans-62.4-46.8175.2-172.3-168.1145.100112D200 A201 A202 L206 Q207 R208 W244 R251D200-E204 PolarHBondContact O-N 3.27Å; D200-E204 VanDerWaalsContact O-N 3.09Å; A201-E204 WeakPolarHBondContact O-CB 3.35Å; A201-E204 PolarHBondContact O-N 3.35Å; A202-E204 VanDerWaalsContact C-N 3.31Å; A202-E204 PolarHBondContact O-N 3.37Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.16Å; E204-Q207 PolarHBondContact O-N 2.86Å; E204-R208 PolarHBondContact O-N 2.9Å; E204-W244 HydrophobicContact CG-CH2 4.49Å; E204-W244 WeakPolarHBondContact OE1-CH2 3.06Å; E204-W244 WeakPolarHBondContact OE1-CZ3 3.19Å; E204-R251 IonicContact OE2-CZ 2.98Å; E204-R251 IonicContact OE2-NH1 3.36Å; E204-R251 PolarHBondContact OE2-NH1 3.4Å; E204-R251 IonicContact OE2-NH2 2.72Å; E204-R251 PolarHBondContact OE2-NH2 3.03Å
205I92.3Very high89.7Confident0 Ų037 Ų370%017%0.173CC..Hα-helixtrans-58.9-45.4177.1-72.4162.1000111L183 A201 A202 Q207 R208 H211 L228 W244L183-I205 HydrophobicContact CB-CD1 3.69Å; L183-I205 HydrophobicContact CD2-CD1 3.6Å; L183-I205 HydrophobicContact CG-CD1 4.3Å; A201-I205 WeakPolarHBondContact O-CD1 3.28Å; A201-I205 VanDerWaalsContact O-CG1 3.25Å; A201-I205 WeakPolarHBondContact O-CG1 3.46Å; A201-I205 PolarHBondContact O-N 2.8Å; A202-I205 PolarHBondContact O-N 2.88Å; I205-Q207 PolarHBondContact O-N 3.14Å; I205-R208 WeakPolarHBondContact O-CB 3.42Å; I205-R208 PolarHBondContact O-N 3.4Å; I205-R208 VanDerWaalsContact O-N 3.17Å; I205-H211 PolarHBondContact O-NE2 3.11Å; I205-L228 HydrophobicContact CG2-CD2 3.77Å; I205-W244 HydrophobicContact CB-CZ2 4.44Å; I205-W244 HydrophobicContact CD1-CD2 3.75Å; I205-W244 HydrophobicContact CD1-CE3 4.33Å; I205-W244 HydrophobicContact CD1-CG 3.94Å; I205-W244 HydrophobicContact CD1-CH2 4.45Å; I205-W244 HydrophobicContact CD1-CZ2 3.95Å; I205-W244 HydrophobicContact CG1-CD2 3.95Å; I205-W244 HydrophobicContact CG1-CE3 4.34Å; I205-W244 HydrophobicContact CG1-CH2 3.63Å; I205-W244 HydrophobicContact CG1-CZ2 3.21Å; I205-W244 HydrophobicContact CG1-CZ3 4.21Å
206L91.4Very high89.5Confident1 Ų136.1 Ų36.11%0.00517%0.172CC..Hα-helixtrans-65.2-28.3-179.9-72172.5000112.5F133 L136 R137 L140 L153 L156 L182 A202 C203 E204 H211F133-L206 HydrophobicContact CD1-CD2 3.37Å; F133-L206 HydrophobicContact CE1-CD2 3.54Å; L136-L206 HydrophobicContact CB-CD2 4.22Å; L136-L206 HydrophobicContact CD1-CD2 4.05Å; R137-L206 WeakPolarHBondContact CB-O 3.07Å; R137-L206 WeakPolarHBondContact CG-O 3.29Å; L140-L206 HydrophobicContact CD1-CB 3.36Å; L140-L206 HydrophobicContact CD1-CD1 3.76Å; L140-L206 HydrophobicContact CD1-CG 4.2Å; L153-L206 HydrophobicContact CD1-CD1 4.18Å; L156-L206 HydrophobicContact CD2-CD1 3.93Å; L182-L206 HydrophobicContact CD2-CD1 4.21Å; L182-L206 HydrophobicContact CD2-CD2 3.98Å; L182-L206 HydrophobicContact CD2-CG 3.98Å; A202-L206 WeakPolarHBondContact O-CB 3.44Å; A202-L206 WeakPolarHBondContact O-CG 3.49Å; A202-L206 PolarHBondContact O-N 3.39Å; C203-L206 PolarHBondContact O-N 3.01Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.16Å; L206-H211 PolarHBondContact O-CE1 3.35Å
207Q87.9Confident88.7Confident86 Ų8641.4 Ų41.440%0.40220%0.201SC..Hα-helixtrans-80.5-13.6176.9-73.9-179.8-29.500113.7L140 C203 E204 I205L140-Q207 HydrophobicContact CB-CG 4.18Å; L140-Q207 HydrophobicContact CD1-CG 4.34Å; L140-Q207 HydrophobicContact CD2-CG 4.31Å; C203-Q207 VanDerWaalsContact O-CG 3.29Å; C203-Q207 WeakPolarHBondContact O-CG 3.36Å; C203-Q207 PolarHBondContact O-N 2.88Å; C203-Q207 VanDerWaalsContact O-N 3.11Å; E204-Q207 PolarHBondContact O-N 2.86Å; I205-Q207 PolarHBondContact O-N 3.14Å
208R85.2Confident87.6Confident25 Ų2543 Ų439%0.09422%0.223CC..SBendtrans-60.4147.6178.4-76.9-173.3170.4-167.80.9112.5R137 E204 I205 H211 S230 G231 W244R137-R208 PolarHBondContact NH1-O 3.23Å; E204-R208 PolarHBondContact O-N 2.9Å; I205-R208 WeakPolarHBondContact O-CB 3.42Å; I205-R208 PolarHBondContact O-N 3.4Å; I205-R208 VanDerWaalsContact O-N 3.17Å; R208-H211 PolarHBondContact O-CE1 2.92Å; R208-H211 PolarHBondContact O-NE2 3.43Å; R208-S230 WeakPolarHBondContact CD-OG 3.49Å; R208-S230 PolarHBondContact NH1-O 3.19Å; R208-S230 VanDerWaalsContact NH1-O 3.14Å; R208-S230 PolarHBondContact NH1-OG 2.95Å; R208-G231 WeakPolarHBondContact CB-O 3.25Å; R208-W244 VanDerWaalsContact NH1-CZ2 3.33Å
209P79.1Confident85.8Confident42 Ų4254.7 Ų54.727%0.27327%0.268SS..SBendtrans-69.6-35.1-173.525.8-34000114R137 G231 T232R137-P209 VanDerWaalsContact NH1-CA 3.29Å; R137-P209 PolarHBondContact NH1-O 2.91Å; P209-G231 WeakPolarHBondContact CD-O 3.27Å; P209-T232 WeakPolarHBondContact CD-O 3.39Å; P209-T232 VanDerWaalsContact CG-C 3.42Å; P209-T232 WeakPolarHBondContact CG-O 3.47Å
210S82.7Confident84.2Confident19 Ų1960.8 Ų60.813%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-118.4129.4-173.7-168.30000111.9S230 G231 H238S210-S230 CarbonylContact O-C 3.56Å; S210-S230 WeakPolarHBondContact O-CA 3.35Å; S210-G231 PolarHBondContact O-N 3.04Å; S210-H238 PolarHBondContact OG-CE1 3Å; S210-H238 PolarHBondContact OG-NE2 3.16Å
211H89.1Confident82.8Confident53 Ų5361.3 Ų61.325%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-128135.4176.9-61.2121.3000110.5I205 L206 R208 L228 H229I205-H211 PolarHBondContact O-NE2 3.11Å; L206-H211 PolarHBondContact O-CE1 3.35Å; R208-H211 PolarHBondContact O-CE1 2.92Å; R208-H211 PolarHBondContact O-NE2 3.43Å; H211-L228 HydrophobicContact CB-CD1 3.94Å; H211-H229 CarbonylContact C-O 3.58Å; H211-H229 WeakPolarHBondContact CA-O 3.45Å
212R89.1Confident81.7Confident156 Ų15663.2 Ų63.259%0.58932%0.319SS*.EExtended strand (participates in β ladder)trans-128.1130.7173.5179.9-177.9179-1530.4109.3V214 H229R212-V214 HydrophobicContact CG-CG2 4.47Å; R212-H229 HydrophobicContact CB-CB 4.31Å; R212-H229 PolarHBondContact N-O 3.26Å; R212-H229 PolarHBondContact O-N 3.03Å
213L91.1Very high80.8Confident18 Ų1865.7 Ų65.79%0.09434%0.337CS..EExtended strand (participates in β ladder)trans-89.1135172.8-65.1168.4000109.8E126 V129 K130 F133 V180 F226 L228E126-L213 HydrophobicContact CG-CD1 4.06Å; V129-L213 HydrophobicContact CB-CD1 3.7Å; V129-L213 HydrophobicContact CG1-CD1 3.38Å; V129-L213 HydrophobicContact CG1-CD2 3.59Å; V129-L213 HydrophobicContact CG1-CG 4.13Å; K130-L213 HydrophobicContact CG-CD1 3.71Å; F133-L213 HydrophobicContact CD2-CD2 4.36Å; F133-L213 HydrophobicContact CE2-CD2 4.03Å; V180-L213 HydrophobicContact CG1-CD2 4.02Å; L213-F226 HydrophobicContact CB-CD1 4.35Å; L213-F226 HydrophobicContact CD2-CB 4.25Å; L213-L228 HydrophobicContact CD2-CD1 3.81Å
214V90.7Very high80.4Confident43 Ų4365.6 Ų65.626%0.26134%0.336SS..EExtended strand (participates in β ladder)trans-124.8130.8172.81790000107.9R212 F226 Q227 H229R212-V214 HydrophobicContact CG-CG2 4.47Å; V214-F226 CarbonylContact O-C 3.6Å; V214-F226 VanDerWaalsContact O-CA 3.3Å; V214-F226 WeakPolarHBondContact O-CA 3.42Å; V214-Q227 PolarHBondContact N-O 2.95Å; V214-Q227 PolarHBondContact O-N 3.5Å; V214-H229 WeakPolarHBondContact CB-NE2 3.37Å; V214-H229 WeakPolarHBondContact CG2-CD2 3.25Å; V214-H229 WeakPolarHBondContact CG2-NE2 3.49Å
215R89.7Confident80.3Confident81 Ų8166 Ų6631%0.30634%0.336SS..EExtended strand (participates in β ladder)trans-69.7138.3177.1-76.9-177.7-178.8-80.8-3.6110.6E122 N217 K225 F226E122-R215 PolarHBondContact O-NH2 3.24Å; R215-N217 PolarHBondContact O-N 3.21Å; R215-K225 WeakPolarHBondContact CA-O 3.28Å; R215-F226 HydrophobicContact CG-CD1 3.76Å; R215-F226 HydrophobicContact CG-CE1 3.53Å
216V86.4Confident80.4Confident32 Ų3266 Ų6619%0.19434%0.337CS..  trans-75.5107.1174.7-178.50000108.7I181 K225 Q227I181-V216 HydrophobicContact CD1-CG2 4.4Å; V216-K225 PolarHBondContact N-O 2.86Å; V216-Q227 HydrophobicContact CG2-CG 3.77Å
217N73.7Confident80.4Confident158 Ų15868.5 Ų68.585%0.84535%0.348SS*.  trans-92.693.5171.8-68.4-23.7000108.6R215R215-N217 PolarHBondContact O-N 3.21Å
218G63.4Low80.7Confident58 Ų5864.4 Ų64.460%0.59833%0.329SS*.SBendtrans150.7-154.3175.400000115.4M220G218-M220 PolarHBondContact O-N 2.86Å
219R56.5Low81.1Confident247 Ų24764.4 Ų64.493%0.93233%0.33SS*.SBendtrans-57.5111.6172.3-88.9-176.5176.9173.7-0.9108.3I221R219-I221 PolarHBondContact O-N 2.82Å
220M59.4Low81.6Confident128 Ų12862.4 Ų62.463%0.63132%0.317SS*.  trans-62.4129.6174.3-57.6-174.5-48.800108.6G218 G222G218-M220 PolarHBondContact O-N 2.86Å; M220-G222 VanDerWaalsContact CB-O 3.29Å; M220-G222 WeakPolarHBondContact CB-O 3.47Å; M220-G222 PolarHBondContact O-N 2.95Å
221I62.5Low81.7Confident65 Ų6561.5 Ų61.533%0.33331%0.311SS..SBendtrans-80.2104162.4-63.7172.5000105E167 T174 I181 R219 S223 A224E167-I221 WeakPolarHBondContact OE2-CG2 3.43Å; T174-I221 HydrophobicContact CG2-CG2 4.32Å; I181-I221 HydrophobicContact CD1-CB 4.2Å; I181-I221 HydrophobicContact CD1-CD1 4.18Å; R219-I221 PolarHBondContact O-N 2.82Å; I221-S223 PolarHBondContact O-N 3.46Å; I221-A224 WeakPolarHBondContact O-CB 3.5Å; I221-A224 PolarHBondContact O-N 2.78Å; I221-A224 VanDerWaalsContact O-N 3.13Å
222G69.2Low81.4Confident40 Ų4062.8 Ų62.841%0.41232%0.323SS..THydrogen-bonded Turntrans56.8-127.6-171.200000113E167 M220E167-G222 WeakPolarHBondContact OE1-CA 3.27Å; E167-G222 PolarHBondContact OE2-N 2.66Å; M220-G222 VanDerWaalsContact CB-O 3.29Å; M220-G222 WeakPolarHBondContact CB-O 3.47Å; M220-G222 PolarHBondContact O-N 2.95Å
223S75.6Confident80.9Confident52 Ų5261.1 Ų61.136%0.36432%0.322SS..THydrogen-bonded Turntrans-93.912.9177.769.20000114.6R165 I221 K225R165-S223 PolarHBondContact NH2-OG 2.68Å; I221-S223 PolarHBondContact O-N 3.46Å; S223-K225 PolarHBondContact O-N 3.49Å
224A84.7Confident80Confident1 Ų166.2 Ų66.21%0.00835%0.349CS..  trans-63.2126.4-176.200000112.6L176 E179 I181 I221L176-A224 HydrophobicContact CD2-CB 3.77Å; E179-A224 CarbonylContact O-C 3.48Å; E179-A224 WeakPolarHBondContact O-CA 3.23Å; I181-A224 HydrophobicContact CD1-CB 3.71Å; I181-A224 HydrophobicContact CG1-CB 3.65Å; I221-A224 WeakPolarHBondContact O-CB 3.5Å; I221-A224 PolarHBondContact O-N 2.78Å; I221-A224 VanDerWaalsContact O-N 3.13Å
225K87.7Confident79.2Confident80 Ų8070.4 Ų70.435%0.34838%0.375SS..  trans-102.3-26.4171.3-64.9-173.9-167.5149.30112.5D125 E179 R215 V216 S223D125-K225 IonicContact OD2-NZ 2.94Å; E179-K225 HydrophobicContact CB-CB 4.33Å; E179-K225 HydrophobicContact CB-CG 4.29Å; E179-K225 PolarHBondContact O-N 3.19Å; E179-K225 WeakPolarHBondContact OE1-CE 3.22Å; E179-K225 IonicContact OE1-NZ 3.3Å; E179-K225 PolarHBondContact OE1-NZ 3.05Å; E179-K225 WeakPolarHBondContact OE2-CD 3.27Å; E179-K225 WeakPolarHBondContact OE2-CE 3.47Å; E179-K225 IonicContact OE2-NZ 3.78Å; E179-K225 PolarHBondContact OE2-NZ 2.67Å; R215-K225 WeakPolarHBondContact CA-O 3.28Å; V216-K225 PolarHBondContact N-O 2.86Å; S223-K225 PolarHBondContact O-N 3.49Å
226F92.6Very high78.4Confident1 Ų167.7 Ų67.70%0.00437%0.369CS..EExtended strand (participates in β ladder)trans-132.1157.8-175.4-54.8-87.5000112.4D125 V129 E179 V180 I181 L213 V214 R215D125-F226 HydrophobicContact CB-CZ 4.37Å; D125-F226 WeakPolarHBondContact OD2-CE2 3.38Å; V129-F226 HydrophobicContact CG2-CD2 4.18Å; V129-F226 HydrophobicContact CG2-CE2 4.06Å; E179-F226 PolarHBondContact O-N 3.4Å; E179-F226 VanDerWaalsContact O-N 3.12Å; V180-F226 WeakPolarHBondContact CA-O 3.4Å; V180-F226 HydrophobicContact CG1-CB 4.11Å; V180-F226 HydrophobicContact CG2-CB 4.11Å; V180-F226 HydrophobicContact CG2-CD2 4.4Å; I181-F226 PolarHBondContact N-O 3.28Å; L213-F226 HydrophobicContact CB-CD1 4.35Å; L213-F226 HydrophobicContact CD2-CB 4.25Å; V214-F226 CarbonylContact O-C 3.6Å; V214-F226 VanDerWaalsContact O-CA 3.3Å; V214-F226 WeakPolarHBondContact O-CA 3.42Å; R215-F226 HydrophobicContact CG-CD1 3.76Å; R215-F226 HydrophobicContact CG-CE1 3.53Å
227Q93.2Very high78.3Confident53 Ų5372.5 Ų72.525%0.24840%0.399CS..EExtended strand (participates in β ladder)trans-115.3136.9165.4-77.5171.2000108.6I181 V214 V216 P241I181-Q227 HydrophobicContact CB-CG 4.03Å; I181-Q227 HydrophobicContact CD1-CG 3.99Å; V214-Q227 PolarHBondContact N-O 2.95Å; V214-Q227 PolarHBondContact O-N 3.5Å; V216-Q227 HydrophobicContact CG2-CG 3.77Å; Q227-P241 HydrophobicContact CB-CG 3.86Å; Q227-P241 HydrophobicContact CG-CG 4.02Å
228L94.1Very high78.9Confident1 Ų167.5 Ų67.51%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-90.3113.5174.5-168.673.2000109.3F133 V180 I181 L182 I205 H211 L213F133-L228 HydrophobicContact CD1-CD1 4.28Å; F133-L228 HydrophobicContact CD1-CD2 3.92Å; F133-L228 HydrophobicContact CD2-CD1 3.95Å; F133-L228 HydrophobicContact CE1-CD1 4.22Å; F133-L228 HydrophobicContact CE1-CD2 3.58Å; F133-L228 HydrophobicContact CE1-CG 4.43Å; F133-L228 HydrophobicContact CE2-CD1 3.89Å; F133-L228 HydrophobicContact CG-CD1 4.17Å; F133-L228 HydrophobicContact CZ-CD1 4.03Å; F133-L228 HydrophobicContact CZ-CD2 3.99Å; F133-L228 HydrophobicContact CZ-CG 4.42Å; V180-L228 HydrophobicContact CG1-CB 3.94Å; I181-L228 PolarHBondContact O-N 3.39Å; L182-L228 HydrophobicContact CG-CD2 4.11Å; I205-L228 HydrophobicContact CG2-CD2 3.77Å; H211-L228 HydrophobicContact CB-CD1 3.94Å; L213-L228 HydrophobicContact CD2-CD1 3.81Å
229H92.6Very high80.2Confident25 Ų2568.5 Ų68.512%0.11636%0.359CS..EExtended strand (participates in β ladder)trans-93.3133.2168.8-64.7-123.3000107.9H211 R212 V214 H238 Q239H211-H229 CarbonylContact C-O 3.58Å; H211-H229 WeakPolarHBondContact CA-O 3.45Å; R212-H229 HydrophobicContact CB-CB 4.31Å; R212-H229 PolarHBondContact N-O 3.26Å; R212-H229 PolarHBondContact O-N 3.03Å; V214-H229 WeakPolarHBondContact CB-NE2 3.37Å; V214-H229 WeakPolarHBondContact CG2-CD2 3.25Å; V214-H229 WeakPolarHBondContact CG2-NE2 3.49Å; H229-H238 HydrophobicContact CB-CB 3.79Å; H229-Q239 CarbonylContact C-O 3.47Å; H229-Q239 VanDerWaalsContact CA-O 3.24Å; H229-Q239 WeakPolarHBondContact CA-O 3.31Å
230S90.2Very high81.9Confident0 Ų061.3 Ų61.30%034%0.336CS..EExtended strand (participates in β ladder)trans-127.2134.7-174.763.20000112.5R208 S210 Q239R208-S230 WeakPolarHBondContact CD-OG 3.49Å; R208-S230 PolarHBondContact NH1-O 3.19Å; R208-S230 VanDerWaalsContact NH1-O 3.14Å; R208-S230 PolarHBondContact NH1-OG 2.95Å; S210-S230 CarbonylContact O-C 3.56Å; S210-S230 WeakPolarHBondContact O-CA 3.35Å; S230-Q239 PolarHBondContact N-O 3.28Å; S230-Q239 PolarHBondContact O-N 3.37Å
231G85Confident83.4Confident0 Ų055.4 Ų55.40%031%0.307CS..EExtended strand (participates in β ladder)trans-111142.7177.400000111.4R208 P209 S210 E233R208-G231 WeakPolarHBondContact CB-O 3.25Å; P209-G231 WeakPolarHBondContact CD-O 3.27Å; S210-G231 PolarHBondContact O-N 3.04Å; G231-E233 PolarHBondContact O-N 3.09Å
232T82.3Confident84.6Confident80 Ų8054.2 Ų54.249%0.49131%0.305SS..SBendtrans-72.5-19.4176.249.50000113.3P209P209-T232 WeakPolarHBondContact CD-O 3.39Å; P209-T232 VanDerWaalsContact CG-C 3.42Å; P209-T232 WeakPolarHBondContact CG-O 3.47Å
233E78.5Confident85.4Confident121 Ų12154.8 Ų54.857%0.56531%0.306SS*.SBendtrans-139.2160.4177.1-57.2175.2-175.500108.1G231 T235 A236G231-E233 PolarHBondContact O-N 3.09Å; E233-T235 PolarHBondContact O-N 3.38Å; E233-A236 HydrophobicContact CB-CB 3.95Å; E233-A236 WeakPolarHBondContact O-CB 3.24Å; E233-A236 PolarHBondContact O-N 3.35Å; E233-A236 VanDerWaalsContact O-N 3.12Å
234D72.5Confident85.9Confident125 Ų12552.9 Ų52.967%0.66829%0.291SS*.THydrogen-bonded Turntrans-62.2-25.7-179.1-65-26.6000112.9
235T73Confident86Confident131 Ų13155.5 Ų55.580%0.80430%0.3SS*.THydrogen-bonded Turntrans-103.2-3.2178.959.50000113.5E233E233-T235 PolarHBondContact O-N 3.38Å
236A72.4Confident86Confident23 Ų2353.4 Ų53.419%0.1929%0.293CS..SBendtrans-71153-177.400000112.4E233 H238E233-A236 HydrophobicContact CB-CB 3.95Å; E233-A236 WeakPolarHBondContact O-CB 3.24Å; E233-A236 PolarHBondContact O-N 3.35Å; E233-A236 VanDerWaalsContact O-N 3.12Å; A236-H238 PolarHBondContact O-N 3.01Å; A236-H238 PolarHBondContact O-ND1 3.14Å
237V84.9Confident85.7Confident134 Ų13454.2 Ų54.281%0.81230%0.298SS*.PPolyproline II helixtrans-60.8121.3170.1179.80000108.3Q239V237-Q239 PolarHBondContact O-N 3.06Å
238H86.9Confident85.1Confident52 Ų5251.7 Ų51.724%0.24129%0.287CS..PPolyproline II helixtrans-71.8129.3180-68.656000110.1S210 H229 A236S210-H238 PolarHBondContact OG-CE1 3Å; S210-H238 PolarHBondContact OG-NE2 3.16Å; H229-H238 HydrophobicContact CB-CB 3.79Å; A236-H238 PolarHBondContact O-N 3.01Å; A236-H238 PolarHBondContact O-ND1 3.14Å
239Q90.2Very high84.6Confident79 Ų7952.2 Ų52.237%0.36929%0.29SS..BIsolated β-bridgetrans-85.3127.7176.9-71.2178-14.600109.5H229 S230 V237 A243H229-Q239 CarbonylContact C-O 3.47Å; H229-Q239 VanDerWaalsContact CA-O 3.24Å; H229-Q239 WeakPolarHBondContact CA-O 3.31Å; S230-Q239 PolarHBondContact N-O 3.28Å; S230-Q239 PolarHBondContact O-N 3.37Å; V237-Q239 PolarHBondContact O-N 3.06Å; Q239-A243 HydrophobicContact CB-CB 3.68Å; Q239-A243 HydrophobicContact CG-CB 4.15Å
240E92.6Very high84.4Confident96 Ų9653.5 Ų53.545%0.44930%0.299SS..PPolyproline II helixtrans-69.1164.1172.858.8175-162.600112.1S242 A243E240-S242 VanDerWaalsContact CG-OG 3.3Å; E240-S242 WeakPolarHBondContact CG-OG 3.33Å; E240-S242 PolarHBondContact O-N 3.41Å; E240-S242 VanDerWaalsContact O-N 3.13Å; E240-S242 PolarHBondContact OE1-OG 2.92Å; E240-A243 WeakPolarHBondContact O-CB 3.46Å; E240-A243 PolarHBondContact O-N 3.41Å
241P91.2Very high84.2Confident4 Ų456.3 Ų56.33%0.02631%0.31CS..G310 helixtrans-53.4-33.4179.1-32.539.4000115.3I181 T184 Q227 A243 W244I181-P241 HydrophobicContact CG2-CB 3.78Å; I181-P241 HydrophobicContact CG2-CG 3.98Å; T184-P241 PolarHBondContact N-O 3.04Å; T184-P241 VanDerWaalsContact N-O 3.12Å; Q227-P241 HydrophobicContact CB-CG 3.86Å; Q227-P241 HydrophobicContact CG-CG 4.02Å; P241-A243 VanDerWaalsContact C-N 3.31Å; P241-A243 PolarHBondContact O-N 3.41Å; P241-W244 PolarHBondContact O-N 2.85Å
242S86.5Confident84.2Confident40 Ų4056.7 Ų56.728%0.2831%0.312SS..G310 helixtrans-73.8-14.9176.631.30000114.2E240 W244 R245E240-S242 VanDerWaalsContact CG-OG 3.3Å; E240-S242 WeakPolarHBondContact CG-OG 3.33Å; E240-S242 PolarHBondContact O-N 3.41Å; E240-S242 VanDerWaalsContact O-N 3.13Å; E240-S242 PolarHBondContact OE1-OG 2.92Å; S242-W244 PolarHBondContact O-N 3.25Å; S242-W244 VanDerWaalsContact O-N 3.15Å; S242-R245 VanDerWaalsContact O-CB 3.29Å; S242-R245 WeakPolarHBondContact O-CB 3.46Å; S242-R245 WeakPolarHBondContact O-CD 3.35Å; S242-R245 WeakPolarHBondContact O-CG 3.21Å; S242-R245 PolarHBondContact O-N 3.39Å; S242-R245 VanDerWaalsContact O-N 3.13Å
243A87Confident84.7Confident53 Ų5353 Ų5344%0.43829%0.29SS..G310 helixtrans-62.9-21.317300000111.8Q239 E240 P241 R245Q239-A243 HydrophobicContact CB-CB 3.68Å; Q239-A243 HydrophobicContact CG-CB 4.15Å; E240-A243 WeakPolarHBondContact O-CB 3.46Å; E240-A243 PolarHBondContact O-N 3.41Å; P241-A243 VanDerWaalsContact C-N 3.31Å; P241-A243 PolarHBondContact O-N 3.41Å; A243-R245 VanDerWaalsContact C-N 3.29Å; A243-R245 PolarHBondContact O-N 2.87Å
244W86.9Confident85.3Confident12 Ų1249.7 Ų49.75%0.04528%0.278CS..G310 helixtrans-88.46.5-179.7-58.492.7000113.6L183 E204 I205 R208 P241 S242 L246 S247L183-W244 HydrophobicContact CB-CB 4.03Å; L183-W244 HydrophobicContact CB-CG 4.26Å; E204-W244 HydrophobicContact CG-CH2 4.49Å; E204-W244 WeakPolarHBondContact OE1-CH2 3.06Å; E204-W244 WeakPolarHBondContact OE1-CZ3 3.19Å; I205-W244 HydrophobicContact CB-CZ2 4.44Å; I205-W244 HydrophobicContact CD1-CD2 3.75Å; I205-W244 HydrophobicContact CD1-CE3 4.33Å; I205-W244 HydrophobicContact CD1-CG 3.94Å; I205-W244 HydrophobicContact CD1-CH2 4.45Å; I205-W244 HydrophobicContact CD1-CZ2 3.95Å; I205-W244 HydrophobicContact CG1-CD2 3.95Å; I205-W244 HydrophobicContact CG1-CE3 4.34Å; I205-W244 HydrophobicContact CG1-CH2 3.63Å; I205-W244 HydrophobicContact CG1-CZ2 3.21Å; I205-W244 HydrophobicContact CG1-CZ3 4.21Å; R208-W244 VanDerWaalsContact NH1-CZ2 3.33Å; P241-W244 PolarHBondContact O-N 2.85Å; S242-W244 PolarHBondContact O-N 3.25Å; S242-W244 VanDerWaalsContact O-N 3.15Å; W244-L246 PolarHBondContact O-N 3.45Å; W244-L246 VanDerWaalsContact O-N 3.08Å; W244-S247 VanDerWaalsContact O-CB 3.31Å; W244-S247 WeakPolarHBondContact O-CB 3.5Å; W244-S247 PolarHBondContact O-N 3.42Å; W244-S247 PolarHBondContact O-OG 2.96Å
245R86.8Confident86.1Confident56 Ų5645.7 Ų45.721%0.21126%0.262CS..THydrogen-bonded Turntrans-50-40.3-173.9-85.8173.487.876.33.5114.5E172 T184 L186 S242 A243 E350E172-R245 IonicContact OE1-CZ 3.81Å; E172-R245 IonicContact OE1-NH1 3.39Å; E172-R245 PolarHBondContact OE1-NH1 3Å; E172-R245 IonicContact OE1-NH2 3.84Å; E172-R245 PolarHBondContact OE1-NH2 3.39Å; E172-R245 IonicContact OE2-NH1 3.98Å; T184-R245 WeakPolarHBondContact O-CA 3.29Å; T184-R245 PolarHBondContact O-N 3.26Å; L186-R245 PolarHBondContact N-O 3.09Å; S242-R245 VanDerWaalsContact O-CB 3.29Å; S242-R245 WeakPolarHBondContact O-CB 3.46Å; S242-R245 WeakPolarHBondContact O-CD 3.35Å; S242-R245 WeakPolarHBondContact O-CG 3.21Å; S242-R245 PolarHBondContact O-N 3.39Å; S242-R245 VanDerWaalsContact O-N 3.13Å; A243-R245 VanDerWaalsContact C-N 3.29Å; A243-R245 PolarHBondContact O-N 2.87Å; R245-E350 IonicContact NE-OE2 3.56Å
246L87.8Confident87.1Confident36 Ų3639.4 Ų39.419%0.18822%0.224CC..THydrogen-bonded Turntrans-1023.1-176.6-56.2179.4000113.1L186 W244 L249 T250 L348 V356L186-L246 HydrophobicContact CD1-CD2 3.95Å; W244-L246 PolarHBondContact O-N 3.45Å; W244-L246 VanDerWaalsContact O-N 3.08Å; L246-L249 HydrophobicContact CD2-CD1 4.46Å; L246-L249 PolarHBondContact O-N 3.17Å; L246-T250 WeakPolarHBondContact O-CB 3.49Å; L246-T250 PolarHBondContact O-N 3.12Å; L246-T250 PolarHBondContact O-OG1 2.96Å; L246-L348 HydrophobicContact CB-CB 4.43Å; L246-L348 HydrophobicContact CB-CD1 4.48Å; L246-L348 HydrophobicContact CD1-CB 3.87Å; L246-V356 HydrophobicContact CD2-CG1 3.92Å; L246-V356 HydrophobicContact CD2-CG2 3.73Å
247S84.6Confident88.1Confident17 Ų1738.7 Ų38.712%0.11922%0.218CC..Hα-helixtrans-66.6-45.4-170.766.60000112.4W244 L249 T250 R251W244-S247 VanDerWaalsContact O-CB 3.31Å; W244-S247 WeakPolarHBondContact O-CB 3.5Å; W244-S247 PolarHBondContact O-N 3.42Å; W244-S247 PolarHBondContact O-OG 2.96Å; S247-L249 PolarHBondContact O-N 2.95Å; S247-T250 PolarHBondContact O-N 3.39Å; S247-R251 WeakPolarHBondContact O-CG 3.41Å; S247-R251 PolarHBondContact O-N 3.3Å
248G80.6Confident88.5Confident1 Ų138.8 Ų38.81%0.0121%0.207CC..Hα-helixtrans-56.1-50.5175.100000112.5T250 R251 S252G248-T250 VanDerWaalsContact C-N 3.34Å; G248-T250 PolarHBondContact O-N 3.37Å; G248-R251 WeakPolarHBondContact O-CB 3.33Å; G248-R251 PolarHBondContact O-N 3.19Å; G248-S252 PolarHBondContact O-N 3.28Å; G248-S252 PolarHBondContact O-OG 3.41Å
249L83.8Confident88.8Confident11 Ų1138.9 Ų38.96%0.05821%0.207CC..Hα-helixtrans-61.6-41.3176.4-69.5178.2000112.8W188 L246 S247 R251 S252 L253 V308 L348 V356W188-L249 HydrophobicContact CE3-CD1 4.06Å; W188-L249 HydrophobicContact CE3-CD2 4.27Å; W188-L249 HydrophobicContact CH2-CD1 4.12Å; W188-L249 HydrophobicContact CZ3-CD1 3.29Å; W188-L249 HydrophobicContact CZ3-CD2 4.3Å; W188-L249 HydrophobicContact CZ3-CG 4.08Å; L246-L249 HydrophobicContact CD2-CD1 4.46Å; L246-L249 PolarHBondContact O-N 3.17Å; S247-L249 PolarHBondContact O-N 2.95Å; L249-R251 VanDerWaalsContact C-N 3.3Å; L249-R251 PolarHBondContact O-N 3.39Å; L249-S252 PolarHBondContact O-N 2.87Å; L249-L253 WeakPolarHBondContact O-CG 3.34Å; L249-L253 PolarHBondContact O-N 3.48Å; L249-V308 HydrophobicContact CB-CG2 4.34Å; L249-V308 HydrophobicContact CD1-CG2 3.26Å; L249-V308 HydrophobicContact CD2-CG2 3.78Å; L249-V308 HydrophobicContact CG-CG2 3.99Å; L249-L348 HydrophobicContact CB-CD1 3.54Å; L249-L348 HydrophobicContact CD1-CD1 4.24Å; L249-V356 HydrophobicContact CD1-CG1 4.32Å
250T88.8Confident89Confident52 Ų5235.2 Ų35.232%0.31919%0.19SC..Hα-helixtrans-61.2-42178.6-59.60000110.5L246 S247 G248 T254 F342L246-T250 WeakPolarHBondContact O-CB 3.49Å; L246-T250 PolarHBondContact O-N 3.12Å; L246-T250 PolarHBondContact O-OG1 2.96Å; S247-T250 PolarHBondContact O-N 3.39Å; G248-T250 VanDerWaalsContact C-N 3.34Å; G248-T250 PolarHBondContact O-N 3.37Å; T250-T254 VanDerWaalsContact O-CB 3.29Å; T250-T254 WeakPolarHBondContact O-CB 3.48Å; T250-T254 PolarHBondContact O-N 3.35Å; T250-T254 PolarHBondContact O-OG1 3.06Å; T250-F342 HydrophobicContact CG2-CE1 3.96Å; T250-F342 HydrophobicContact CG2-CZ 4.05Å
251R85.1Confident89.1Confident59 Ų5935.7 Ų35.722%0.22319%0.192CC..Hα-helixtrans-61.8-48.7174.4-67.9176.2-143.2-94.8-16.1111.3D200 E204 S247 G248 L249 L253 T254 A255D200-R251 WeakPolarHBondContact OD2-CD 3.48Å; D200-R251 IonicContact OD2-CZ 3.36Å; D200-R251 IonicContact OD2-NE 3.77Å; D200-R251 IonicContact OD2-NH1 3.21Å; D200-R251 PolarHBondContact OD2-NH1 2.85Å; E204-R251 IonicContact OE2-CZ 2.98Å; E204-R251 IonicContact OE2-NH1 3.36Å; E204-R251 PolarHBondContact OE2-NH1 3.4Å; E204-R251 IonicContact OE2-NH2 2.72Å; E204-R251 PolarHBondContact OE2-NH2 3.03Å; S247-R251 WeakPolarHBondContact O-CG 3.41Å; S247-R251 PolarHBondContact O-N 3.3Å; G248-R251 WeakPolarHBondContact O-CB 3.33Å; G248-R251 PolarHBondContact O-N 3.19Å; L249-R251 VanDerWaalsContact C-N 3.3Å; L249-R251 PolarHBondContact O-N 3.39Å; R251-L253 PolarHBondContact O-N 2.93Å; R251-T254 PolarHBondContact O-N 3.38Å; R251-A255 WeakPolarHBondContact O-CB 3.3Å; R251-A255 PolarHBondContact O-N 2.86Å
252S86.3Confident89.1Confident8 Ų839.9 Ų39.96%0.05622%0.222CC..Hα-helixtrans-59-47179.3-64.30000112.2G248 L249 T254 A255 L256G248-S252 PolarHBondContact O-N 3.28Å; G248-S252 PolarHBondContact O-OG 3.41Å; L249-S252 PolarHBondContact O-N 2.87Å; S252-T254 PolarHBondContact O-N 3.39Å; S252-A255 WeakPolarHBondContact O-CB 3.16Å; S252-A255 PolarHBondContact O-N 2.9Å; S252-L256 WeakPolarHBondContact O-CG 3.4Å; S252-L256 PolarHBondContact O-N 2.84Å
253L91.7Very high89.4Confident2 Ų239.9 Ų39.91%0.0122%0.218CC..Hα-helixtrans-68.8-33.8177.7-63-173000112.8L249 R251 A255 L256 S257 L285 L305 I310 L339 F342 L348L249-L253 WeakPolarHBondContact O-CG 3.34Å; L249-L253 PolarHBondContact O-N 3.48Å; R251-L253 PolarHBondContact O-N 2.93Å; L253-A255 VanDerWaalsContact C-N 3.33Å; L253-L256 HydrophobicContact CD2-CD1 3.99Å; L253-L256 PolarHBondContact O-N 3.32Å; L253-S257 PolarHBondContact O-N 2.94Å; L253-L285 HydrophobicContact CD2-CD2 4.08Å; L253-L305 HydrophobicContact CD2-CD1 4.44Å; L253-I310 HydrophobicContact CD1-CD1 3.94Å; L253-I310 HydrophobicContact CD2-CD1 4.15Å; L253-L339 HydrophobicContact CB-CD2 4.35Å; L253-L339 HydrophobicContact CD2-CD2 3.99Å; L253-F342 HydrophobicContact CB-CD1 4Å; L253-F342 HydrophobicContact CB-CE1 3.77Å; L253-F342 HydrophobicContact CB-CE2 4.46Å; L253-F342 HydrophobicContact CB-CG 4.44Å; L253-F342 HydrophobicContact CB-CZ 4.02Å; L253-F342 HydrophobicContact CD1-CD2 4.48Å; L253-F342 HydrophobicContact CD1-CE2 4Å; L253-F342 HydrophobicContact CD1-CZ 4.09Å; L253-L348 HydrophobicContact CD1-CD1 4.22Å; L253-L348 HydrophobicContact CD1-CD2 3.71Å; L253-L348 HydrophobicContact CD1-CG 4.32Å
254T91.7Very high89.7Confident52 Ų5240.5 Ų40.532%0.31922%0.219SC..Hα-helixtrans-65.3-39.2173.2-57.10000111.2T250 R251 S252 S257 K258T250-T254 VanDerWaalsContact O-CB 3.29Å; T250-T254 WeakPolarHBondContact O-CB 3.48Å; T250-T254 PolarHBondContact O-N 3.35Å; T250-T254 PolarHBondContact O-OG1 3.06Å; R251-T254 PolarHBondContact O-N 3.38Å; S252-T254 PolarHBondContact O-N 3.39Å; T254-S257 PolarHBondContact O-N 2.85Å; T254-K258 WeakPolarHBondContact O-CG 3.38Å; T254-K258 PolarHBondContact O-N 3.4Å
255A90.2Very high89.9Confident41 Ų4145 Ų4534%0.33924%0.243SC..Hα-helixtrans-63.8-43.4175.300000111.5R251 S252 L253 K258 H259 V283R251-A255 WeakPolarHBondContact O-CB 3.3Å; R251-A255 PolarHBondContact O-N 2.86Å; S252-A255 WeakPolarHBondContact O-CB 3.16Å; S252-A255 PolarHBondContact O-N 2.9Å; L253-A255 VanDerWaalsContact C-N 3.33Å; A255-K258 PolarHBondContact O-N 3.46Å; A255-H259 PolarHBondContact O-N 3.24Å; A255-V283 HydrophobicContact CB-CG1 4.28Å
256L92.4Very high90.1Very high0 Ų046.4 Ų46.40%026%0.262CS..Hα-helixtrans-57.7-49.2172.5-69.5-177.1000112S252 L253 K258 H259 F260 V279 V283 L285 L305 L339S252-L256 WeakPolarHBondContact O-CG 3.4Å; S252-L256 PolarHBondContact O-N 2.84Å; L253-L256 HydrophobicContact CD2-CD1 3.99Å; L253-L256 PolarHBondContact O-N 3.32Å; L256-K258 VanDerWaalsContact C-N 3.32Å; L256-K258 PolarHBondContact O-N 2.78Å; L256-H259 PolarHBondContact O-N 3.37Å; L256-H259 VanDerWaalsContact O-N 3.14Å; L256-F260 HydrophobicContact CB-CE2 4.48Å; L256-F260 WeakPolarHBondContact O-CD2 3.27Å; L256-F260 PolarHBondContact O-N 3.31Å; L256-V279 HydrophobicContact CD2-CB 4.37Å; L256-V279 HydrophobicContact CD2-CG1 3.54Å; L256-V283 HydrophobicContact CD2-CG1 4.47Å; L256-V283 HydrophobicContact CD2-CG2 3.38Å; L256-V283 HydrophobicContact CG-CG2 4.03Å; L256-L285 HydrophobicContact CD1-CD2 3.62Å; L256-L305 HydrophobicContact CD1-CD1 4.03Å; L256-L339 HydrophobicContact CB-CD1 4.32Å; L256-L339 HydrophobicContact CD1-CD1 4.17Å
257S94.5Very high90.1Very high8 Ų847.1 Ų47.16%0.05627%0.27CS..Hα-helixtrans-54.4-49.4178-178.90000111.2L253 T254 H259 F260 E261 L339L253-S257 PolarHBondContact O-N 2.94Å; T254-S257 PolarHBondContact O-N 2.85Å; S257-H259 VanDerWaalsContact C-N 3.3Å; S257-H259 PolarHBondContact O-N 2.9Å; S257-F260 PolarHBondContact O-N 3.06Å; S257-E261 WeakPolarHBondContact O-CG 3.48Å; S257-E261 PolarHBondContact O-N 2.75Å; S257-L339 VanDerWaalsContact CB-O 3.3Å; S257-L339 WeakPolarHBondContact CB-O 3.24Å; S257-L339 PolarHBondContact OG-O 2.82Å
258K93.5Very high90.5Very high136 Ų13646.7 Ų46.759%0.59127%0.265SS*.Hα-helixtrans-61.9-37.8179-73.8179.3178.5-179.30112.6T254 A255 L256 E261 S262T254-K258 WeakPolarHBondContact O-CG 3.38Å; T254-K258 PolarHBondContact O-N 3.4Å; A255-K258 PolarHBondContact O-N 3.46Å; L256-K258 VanDerWaalsContact C-N 3.32Å; L256-K258 PolarHBondContact O-N 2.78Å; K258-E261 PolarHBondContact O-N 3.48Å; K258-S262 PolarHBondContact O-N 2.76Å; K258-S262 VanDerWaalsContact O-N 3.16Å
259H93.2Very high91Very high53 Ų5353.2 Ų53.225%0.24529%0.29CS..Hα-helixtrans-63.8-47.3176.8-165108.5000110.5A255 L256 S257 E261 S262 M263 V279 E282A255-H259 PolarHBondContact O-N 3.24Å; L256-H259 PolarHBondContact O-N 3.37Å; L256-H259 VanDerWaalsContact O-N 3.14Å; S257-H259 VanDerWaalsContact C-N 3.3Å; S257-H259 PolarHBondContact O-N 2.9Å; H259-E261 VanDerWaalsContact C-N 3.35Å; H259-E261 PolarHBondContact O-N 2.89Å; H259-S262 PolarHBondContact O-N 3.03Å; H259-S262 PolarHBondContact O-OG 2.94Å; H259-M263 WeakPolarHBondContact O-CG 3.26Å; H259-M263 PolarHBondContact O-N 3.46Å; H259-V279 HydrophobicContact CB-CG1 3.62Å; H259-V279 WeakPolarHBondContact CD2-CG2 3.45Å; H259-E282 IonicContact CE1-OE2 3.29Å; H259-E282 PolarHBondContact CE1-OE2 3.17Å; H259-E282 IonicContact ND1-OE2 3.55Å; H259-E282 PolarHBondContact ND1-OE2 3.22Å; H259-E282 IonicContact NE2-OE2 2.82Å
260F94.6Very high91.4Very high2 Ų256.8 Ų56.81%0.00932%0.316CS..Hα-helixtrans-65.2-33.7176.1-71.3-63.2000113.9L256 S257 S262 M263 W268 L276 V279 I336 L339 L340L256-F260 HydrophobicContact CB-CE2 4.48Å; L256-F260 WeakPolarHBondContact O-CD2 3.27Å; L256-F260 PolarHBondContact O-N 3.31Å; S257-F260 PolarHBondContact O-N 3.06Å; F260-S262 PolarHBondContact O-N 2.71Å; F260-M263 HydrophobicContact CD1-SD 3.96Å; F260-M263 HydrophobicContact CE1-SD 4.23Å; F260-M263 PolarHBondContact O-N 3.22Å; F260-W268 HydrophobicContact CD1-CG 4.47Å; F260-L276 HydrophobicContact CE2-CD1 4.02Å; F260-L276 HydrophobicContact CZ-CD1 3.75Å; F260-V279 HydrophobicContact CE1-CB 4.38Å; F260-V279 HydrophobicContact CE1-CG2 3.86Å; F260-V279 HydrophobicContact CE2-CB 4.4Å; F260-V279 HydrophobicContact CE2-CG1 4.22Å; F260-V279 HydrophobicContact CZ-CB 3.93Å; F260-V279 HydrophobicContact CZ-CG1 4.22Å; F260-V279 HydrophobicContact CZ-CG2 3.93Å; F260-I336 HydrophobicContact CB-CG2 4.35Å; F260-I336 HydrophobicContact CD1-CD1 4.48Å; F260-I336 HydrophobicContact CD1-CG1 4.37Å; F260-I336 HydrophobicContact CD1-CG2 3.94Å; F260-I336 HydrophobicContact CD2-CG2 4.35Å; F260-I336 HydrophobicContact CE1-CD1 3.93Å; F260-I336 HydrophobicContact CE1-CG1 3.94Å; F260-I336 HydrophobicContact CE1-CG2 4.36Å; F260-I336 HydrophobicContact CE2-CG1 4.22Å; F260-I336 HydrophobicContact CG-CG2 3.96Å; F260-I336 HydrophobicContact CZ-CD1 4.25Å; F260-I336 HydrophobicContact CZ-CG1 3.87Å; F260-L339 HydrophobicContact CD2-CD1 4.34Å; F260-L339 HydrophobicContact CE2-CD1 3.95Å; F260-L340 HydrophobicContact CB-CD2 3.78Å; F260-L340 HydrophobicContact CB-CG 4.41Å
261E93.5Very high91.6Very high106 Ų10661.3 Ų61.350%0.49533%0.331SS..Hα-helixtrans-61.6-30.9172.3-75.1178158.800111.9S257 K258 H259 L340 K344S257-E261 WeakPolarHBondContact O-CG 3.48Å; S257-E261 PolarHBondContact O-N 2.75Å; K258-E261 PolarHBondContact O-N 3.48Å; H259-E261 VanDerWaalsContact C-N 3.35Å; H259-E261 PolarHBondContact O-N 2.89Å; E261-L340 HydrophobicContact CB-CD2 4.49Å; E261-L340 HydrophobicContact CG-CD2 3.65Å; E261-K344 IonicContact OE1-NZ 2.72Å; E261-K344 PolarHBondContact OE1-NZ 2.91Å
262S92.7Very high92Very high93 Ų9358.8 Ų58.865%0.6532%0.322SS*.Hα-helixtrans-82.8-18177.876.90000114.2K258 H259 F260K258-S262 PolarHBondContact O-N 2.76Å; K258-S262 VanDerWaalsContact O-N 3.16Å; H259-S262 PolarHBondContact O-N 3.03Å; H259-S262 PolarHBondContact O-OG 2.94Å; F260-S262 PolarHBondContact O-N 2.71Å
263M92.5Very high92.3Very high39 Ų3963.4 Ų63.419%0.19234%0.338CS..SBendtrans-84.8152179.6-68.2179.383.100112H259 F260 A275 V279H259-M263 WeakPolarHBondContact O-CG 3.26Å; H259-M263 PolarHBondContact O-N 3.46Å; F260-M263 HydrophobicContact CD1-SD 3.96Å; F260-M263 HydrophobicContact CE1-SD 4.23Å; F260-M263 PolarHBondContact O-N 3.22Å; M263-A275 HydrophobicContact CE-CB 4.38Å; M263-V279 HydrophobicContact SD-CG2 3.84Å
264S92Very high92.4Very high67 Ų6765.9 Ų65.947%0.46936%0.359SS..  trans-69.2136.4172.170.30000111.3S266 S267 W268S264-S266 PolarHBondContact O-N 2.87Å; S264-S266 PolarHBondContact OG-OG 2.89Å; S264-S267 VanDerWaalsContact O-CB 3.28Å; S264-S267 WeakPolarHBondContact O-CB 3.44Å; S264-S267 PolarHBondContact O-N 2.94Å; S264-S267 VanDerWaalsContact OG-CB 3.24Å; S264-S267 WeakPolarHBondContact OG-CB 3.46Å; S264-S267 PolarHBondContact OG-N 2.85Å; S264-W268 VanDerWaalsContact O-CD1 3.27Å
265I92.1Very high92.6Very high106 Ų10663.7 Ų63.754%0.54435%0.346SS..Hα-helixtrans-56-38.7179.8-62.6174.1000111.5S267 W268 R269I265-S267 VanDerWaalsContact C-N 3.3Å; I265-S267 PolarHBondContact O-N 3.33Å; I265-W268 HydrophobicContact CB-CZ2 4.05Å; I265-W268 HydrophobicContact CG1-CZ2 3.89Å; I265-W268 HydrophobicContact CG2-CH2 4Å; I265-W268 HydrophobicContact CG2-CZ2 3.81Å; I265-R269 HydrophobicContact CG2-CG 4.1Å; I265-R269 VanDerWaalsContact O-CB 3.25Å; I265-R269 WeakPolarHBondContact O-CB 3.29Å; I265-R269 VanDerWaalsContact O-CG 3.23Å; I265-R269 WeakPolarHBondContact O-CG 3.43Å; I265-R269 PolarHBondContact O-N 3.21Å
266S91.4Very high92.8Very high86 Ų8661.8 Ų61.860%0.60133%0.33SS*.Hα-helixtrans-64.7-32.7177.8520000113.1S264 S270S264-S266 PolarHBondContact O-N 2.87Å; S264-S266 PolarHBondContact OG-OG 2.89Å; S266-S270 WeakPolarHBondContact O-CB 3.29Å; S266-S270 PolarHBondContact O-N 3.25Å; S266-S270 VanDerWaalsContact O-N 3.14Å; S266-S270 PolarHBondContact O-OG 3.14Å
267S88Confident92.9Very high51 Ų5165.1 Ų65.136%0.35735%0.35SS..Hα-helixtrans-62.1-59.7-179.6-179.60000110.6S264 I265 R269 S270S264-S267 VanDerWaalsContact O-CB 3.28Å; S264-S267 WeakPolarHBondContact O-CB 3.44Å; S264-S267 PolarHBondContact O-N 2.94Å; S264-S267 VanDerWaalsContact OG-CB 3.24Å; S264-S267 WeakPolarHBondContact OG-CB 3.46Å; S264-S267 PolarHBondContact OG-N 2.85Å; I265-S267 VanDerWaalsContact C-N 3.3Å; I265-S267 PolarHBondContact O-N 3.33Å; S267-R269 PolarHBondContact O-N 3.17Å; S267-S270 PolarHBondContact O-N 2.94Å; S267-S270 PolarHBondContact O-OG 3.27Å
268W92Very high92.8Very high7 Ų770.2 Ų70.23%0.02737%0.373CS..Hα-helixtrans-76.8-19.8-177.854.8-106.2000113.4F260 S264 I265 P272 A275 L333 I336 L340F260-W268 HydrophobicContact CD1-CG 4.47Å; S264-W268 VanDerWaalsContact O-CD1 3.27Å; I265-W268 HydrophobicContact CB-CZ2 4.05Å; I265-W268 HydrophobicContact CG1-CZ2 3.89Å; I265-W268 HydrophobicContact CG2-CH2 4Å; I265-W268 HydrophobicContact CG2-CZ2 3.81Å; W268-P272 WeakPolarHBondContact O-CA 3.42Å; W268-P272 WeakPolarHBondContact O-CB 3.47Å; W268-A275 HydrophobicContact CB-CB 3.67Å; W268-L333 HydrophobicContact CE3-CD2 4.13Å; W268-L333 HydrophobicContact CZ3-CD2 4.17Å; W268-I336 HydrophobicContact CB-CD1 4.21Å; W268-I336 HydrophobicContact CD2-CG2 4.07Å; W268-I336 HydrophobicContact CE3-CD1 4.33Å; W268-I336 HydrophobicContact CE3-CG2 3.98Å; W268-I336 HydrophobicContact CH2-CG2 4.38Å; W268-I336 HydrophobicContact CZ2-CG2 4.47Å; W268-I336 HydrophobicContact CZ3-CG2 4.13Å; W268-L340 HydrophobicContact CH2-CD1 4.32Å; W268-L340 HydrophobicContact CZ2-CD1 4.06Å
269R92.1Very high92.8Very high139 Ų13963.7 Ų63.753%0.52535%0.345SS..Hα-helixtrans-71.6-31.4170.8-76.6-171.3176.1-112-10.9113.9I265 S267 L333I265-R269 HydrophobicContact CG2-CG 4.1Å; I265-R269 VanDerWaalsContact O-CB 3.25Å; I265-R269 WeakPolarHBondContact O-CB 3.29Å; I265-R269 VanDerWaalsContact O-CG 3.23Å; I265-R269 WeakPolarHBondContact O-CG 3.43Å; I265-R269 PolarHBondContact O-N 3.21Å; S267-R269 PolarHBondContact O-N 3.17Å; R269-L333 HydrophobicContact CG-CD2 4.17Å
270S92.2Very high92.7Very high86 Ų8661.2 Ų61.260%0.60133%0.334SS*.Hα-helixtrans-74.8-34.9-178.371.30000113.1S266 S267S266-S270 WeakPolarHBondContact O-CB 3.29Å; S266-S270 PolarHBondContact O-N 3.25Å; S266-S270 VanDerWaalsContact O-N 3.14Å; S266-S270 PolarHBondContact O-OG 3.14Å; S267-S270 PolarHBondContact O-N 2.94Å; S267-S270 PolarHBondContact O-OG 3.27Å
271K92Very high92.4Very high147 Ų14769.2 Ų69.264%0.63937%0.368SS*.SBendtrans-142.367.5-177-63.1-178.7-176.9175.30110.4R273 A274 A275K271-R273 PolarHBondContact O-N 3.36Å; K271-A274 HydrophobicContact CB-CB 4.06Å; K271-A274 PolarHBondContact O-N 2.88Å; K271-A275 PolarHBondContact O-N 3.29Å
272P93.5Very high91.9Very high5 Ų569.8 Ų69.83%0.03237%0.371CS..Hα-helixtrans-62.1-40.4-169.525.1-35.4000113.2W268 L276 D329 C332 L333 I336W268-P272 WeakPolarHBondContact O-CA 3.42Å; W268-P272 WeakPolarHBondContact O-CB 3.47Å; P272-L276 WeakPolarHBondContact O-CB 3.39Å; P272-L276 PolarHBondContact O-N 3.02Å; P272-D329 HydrophobicContact CG-CB 3.7Å; P272-D329 WeakPolarHBondContact CG-O 3.34Å; P272-C332 HydrophobicContact CB-CB 3.83Å; P272-C332 HydrophobicContact CG-CB 4.44Å; P272-L333 HydrophobicContact CB-CD2 3.71Å; P272-L333 HydrophobicContact CB-CG 3.71Å; P272-L333 HydrophobicContact CG-CD1 4.44Å; P272-L333 HydrophobicContact CG-CD2 4.19Å; P272-L333 HydrophobicContact CG-CG 3.9Å; P272-I336 HydrophobicContact CB-CD1 4.45Å
273R93.5Very high91.4Very high105 Ų10567 Ų6740%0.39635%0.35SS..Hα-helixtrans-63.6-44176.8-173.9-174.4-17690.6-6.7112.7K271 L276 T277 E328 D329K271-R273 PolarHBondContact O-N 3.36Å; R273-L276 PolarHBondContact O-N 3.25Å; R273-T277 WeakPolarHBondContact O-CB 3.47Å; R273-T277 PolarHBondContact O-N 2.7Å; R273-T277 PolarHBondContact O-OG1 3.17Å; R273-E328 IonicContact CZ-OE2 3.29Å; R273-E328 VanDerWaalsContact CZ-OE2 3.28Å; R273-E328 IonicContact NH1-OE2 3.63Å; R273-E328 PolarHBondContact NH1-OE2 3.28Å; R273-E328 IonicContact NH2-OE2 2.65Å; R273-D329 WeakPolarHBondContact CB-OD1 3.46Å
274A93.4Very high90.9Very high54 Ų5468.2 Ų68.245%0.44636%0.362SS..Hα-helixtrans-64.8-46.4-179.800000110.8K271 T277 E278K271-A274 HydrophobicContact CB-CB 4.06Å; K271-A274 PolarHBondContact O-N 2.88Å; A274-T277 PolarHBondContact O-N 2.88Å; A274-E278 WeakPolarHBondContact O-CB 3.31Å; A274-E278 PolarHBondContact O-N 3.14Å
275A94.8Very high90.5Very high6 Ų665.9 Ų65.95%0.0534%0.344CS..Hα-helixtrans-59.5-48.5175.900000111.5M263 W268 K271 T277 E278 V279M263-A275 HydrophobicContact CE-CB 4.38Å; W268-A275 HydrophobicContact CB-CB 3.67Å; K271-A275 PolarHBondContact O-N 3.29Å; A275-T277 VanDerWaalsContact C-N 3.32Å; A275-T277 PolarHBondContact O-N 3.49Å; A275-E278 PolarHBondContact O-N 3.1Å; A275-V279 VanDerWaalsContact O-CG2 3.3Å; A275-V279 WeakPolarHBondContact O-CG2 3.45Å; A275-V279 PolarHBondContact O-N 3.23Å
276L95.4Very high90.1Very high1 Ų163.1 Ų63.11%0.00533%0.333CS..Hα-helixtrans-60.4-42.2178.4-17364.4000112.4F260 P272 R273 C280 I287 M303 C332 T335 I336 L339F260-L276 HydrophobicContact CE2-CD1 4.02Å; F260-L276 HydrophobicContact CZ-CD1 3.75Å; P272-L276 WeakPolarHBondContact O-CB 3.39Å; P272-L276 PolarHBondContact O-N 3.02Å; R273-L276 PolarHBondContact O-N 3.25Å; L276-C280 VanDerWaalsContact O-CB 3.3Å; L276-C280 WeakPolarHBondContact O-CB 3.41Å; L276-C280 PolarHBondContact O-N 3.43Å; L276-C280 PolarHBondContact O-SG 3.43Å; L276-I287 HydrophobicContact CG-CD1 4.02Å; L276-M303 HydrophobicContact CD2-CE 3.71Å; L276-M303 HydrophobicContact CD2-SD 4.22Å; L276-C332 HydrophobicContact CD2-CB 4.23Å; L276-T335 HydrophobicContact CD1-CG2 4.39Å; L276-T335 HydrophobicContact CD2-CG2 4.09Å; L276-I336 HydrophobicContact CD1-CG1 4.31Å; L276-L339 HydrophobicContact CD1-CD1 4.35Å
277T93.7Very high90.1Very high70 Ų7061.7 Ų61.743%0.42932%0.318SS..Hα-helixtrans-64.1-43.2178.6-54.70000112.2R273 A274 A275 K281R273-T277 WeakPolarHBondContact O-CB 3.47Å; R273-T277 PolarHBondContact O-N 2.7Å; R273-T277 PolarHBondContact O-OG1 3.17Å; A274-T277 PolarHBondContact O-N 2.88Å; A275-T277 VanDerWaalsContact C-N 3.32Å; A275-T277 PolarHBondContact O-N 3.49Å; T277-K281 VanDerWaalsContact O-CB 3.26Å; T277-K281 WeakPolarHBondContact O-CB 3.27Å; T277-K281 PolarHBondContact O-N 3.14Å
278E93.2Very high90.3Very high115 Ų11563.9 Ų63.954%0.53732%0.323SS..Hα-helixtrans-61.7-53.7178.1-177.7173.9-162.400111.1A274 A275 C280 K281 E282A274-E278 WeakPolarHBondContact O-CB 3.31Å; A274-E278 PolarHBondContact O-N 3.14Å; A275-E278 PolarHBondContact O-N 3.1Å; E278-C280 PolarHBondContact O-N 3.37Å; E278-K281 WeakPolarHBondContact O-CB 3.47Å; E278-K281 PolarHBondContact O-N 3.07Å; E278-K281 VanDerWaalsContact O-N 3.16Å; E278-E282 PolarHBondContact O-N 2.91Å; E278-E282 VanDerWaalsContact O-N 3.14Å
279V93.1Very high90.4Very high0 Ų065.4 Ų65.40%033%0.331CS..Hα-helixtrans-64.3-41.4-177.9-175.70000111.6L256 H259 F260 M263 A275 K281 E282 V283L256-V279 HydrophobicContact CD2-CB 4.37Å; L256-V279 HydrophobicContact CD2-CG1 3.54Å; H259-V279 HydrophobicContact CB-CG1 3.62Å; H259-V279 WeakPolarHBondContact CD2-CG2 3.45Å; F260-V279 HydrophobicContact CE1-CB 4.38Å; F260-V279 HydrophobicContact CE1-CG2 3.86Å; F260-V279 HydrophobicContact CE2-CB 4.4Å; F260-V279 HydrophobicContact CE2-CG1 4.22Å; F260-V279 HydrophobicContact CZ-CB 3.93Å; F260-V279 HydrophobicContact CZ-CG1 4.22Å; F260-V279 HydrophobicContact CZ-CG2 3.93Å; M263-V279 HydrophobicContact SD-CG2 3.84Å; A275-V279 VanDerWaalsContact O-CG2 3.3Å; A275-V279 WeakPolarHBondContact O-CG2 3.45Å; A275-V279 PolarHBondContact O-N 3.23Å; V279-K281 VanDerWaalsContact C-N 3.31Å; V279-K281 PolarHBondContact O-N 3.36Å; V279-E282 PolarHBondContact O-N 3.42Å; V279-V283 PolarHBondContact O-N 2.97Å
280C91.5Very high90.4Very high1 Ų162.7 Ų62.71%0.00733%0.327CS..Hα-helixtrans-66.1-34.3176.9-67.50000112.4L276 E278 E282 V283 C284 L285 I287L276-C280 VanDerWaalsContact O-CB 3.3Å; L276-C280 WeakPolarHBondContact O-CB 3.41Å; L276-C280 PolarHBondContact O-N 3.43Å; L276-C280 PolarHBondContact O-SG 3.43Å; E278-C280 PolarHBondContact O-N 3.37Å; C280-E282 VanDerWaalsContact C-N 3.33Å; C280-V283 CarbonylContact O-C 3.51Å; C280-V283 PolarHBondContact O-N 3.29Å; C280-C284 PolarHBondContact O-N 3.2Å; C280-C284 VanDerWaalsContact O-N 3.1Å; C280-L285 HydrophobicContact CB-CB 4.36Å; C280-L285 WeakPolarHBondContact CB-O 3.32Å; C280-L285 PolarHBondContact O-N 3.24Å; C280-I287 HydrophobicContact CB-CD1 3.7Å; C280-I287 HydrophobicContact CB-CG1 3.74Å
281K87.3Confident90.4Very high169 Ų16963.7 Ų63.774%0.73532%0.322SS*.Hα-helixtrans-64.1-39.3175.5-175.4-177.7178.1-1740111.6T277 E278 V279 V283 C284T277-K281 VanDerWaalsContact O-CB 3.26Å; T277-K281 WeakPolarHBondContact O-CB 3.27Å; T277-K281 PolarHBondContact O-N 3.14Å; E278-K281 WeakPolarHBondContact O-CB 3.47Å; E278-K281 PolarHBondContact O-N 3.07Å; E278-K281 VanDerWaalsContact O-N 3.16Å; V279-K281 VanDerWaalsContact C-N 3.31Å; V279-K281 PolarHBondContact O-N 3.36Å; K281-V283 VanDerWaalsContact C-N 3.3Å; K281-V283 PolarHBondContact O-N 3.33Å; K281-C284 PolarHBondContact O-N 2.96Å
282E84.3Confident90.3Very high119 Ų11963.2 Ų63.256%0.55632%0.32SS*.Hα-helixtrans-62.8-35.5177.5-69.5-172.6173.500113.1H259 E278 V279 C280H259-E282 IonicContact CE1-OE2 3.29Å; H259-E282 PolarHBondContact CE1-OE2 3.17Å; H259-E282 IonicContact ND1-OE2 3.55Å; H259-E282 PolarHBondContact ND1-OE2 3.22Å; H259-E282 IonicContact NE2-OE2 2.82Å; E278-E282 PolarHBondContact O-N 2.91Å; E278-E282 VanDerWaalsContact O-N 3.14Å; V279-E282 PolarHBondContact O-N 3.42Å; C280-E282 VanDerWaalsContact C-N 3.33Å
283V82.3Confident90.1Very high33 Ų3371.1 Ų71.120%0.235%0.349CS..THydrogen-bonded Turntrans-96.213.6177.1-59.30000113.5A255 L256 V279 C280 K281 L285A255-V283 HydrophobicContact CB-CG1 4.28Å; L256-V283 HydrophobicContact CD2-CG1 4.47Å; L256-V283 HydrophobicContact CD2-CG2 3.38Å; L256-V283 HydrophobicContact CG-CG2 4.03Å; V279-V283 PolarHBondContact O-N 2.97Å; C280-V283 CarbonylContact O-C 3.51Å; C280-V283 PolarHBondContact O-N 3.29Å; K281-V283 VanDerWaalsContact C-N 3.3Å; K281-V283 PolarHBondContact O-N 3.33Å; V283-L285 HydrophobicContact CG2-CB 3.9Å; V283-L285 PolarHBondContact O-N 3.23Å
284C80.8Confident89.7Confident66 Ų6668.3 Ų68.345%0.44634%0.342SS..THydrogen-bonded Turntrans52.136.9-179.6-60.40000114.3Q193 C280 K281Q193-C284 HydrophobicContact CG-CB 4.44Å; C280-C284 PolarHBondContact O-N 3.2Å; C280-C284 VanDerWaalsContact O-N 3.1Å; K281-C284 PolarHBondContact O-N 2.96Å
285L84.1Confident89.2Confident17 Ų1773 Ų739%0.08936%0.364CS..  trans-100.7120.9-179.6-158.573.9000110.4L253 L256 C280 V283 L305L253-L285 HydrophobicContact CD2-CD2 4.08Å; L256-L285 HydrophobicContact CD1-CD2 3.62Å; C280-L285 HydrophobicContact CB-CB 4.36Å; C280-L285 WeakPolarHBondContact CB-O 3.32Å; C280-L285 PolarHBondContact O-N 3.24Å; V283-L285 HydrophobicContact CG2-CB 3.9Å; V283-L285 PolarHBondContact O-N 3.23Å; L285-L305 HydrophobicContact CD2-CB 3.72Å; L285-L305 HydrophobicContact CG-CB 4.44Å
286P84.5Confident88.5Confident49 Ų4974.9 Ų74.932%0.31838%0.384SS..  trans-70.3144.1178.128.4-33.2000110.9L305 G306P286-L305 WeakPolarHBondContact O-CA 3.39Å; P286-G306 PolarHBondContact O-N 3.13Å
287I91.2Very high87.9Confident55 Ų5583.2 Ų83.228%0.28242%0.416SS..EExtended strand (participates in β ladder)trans-110.1127.9175.5-55.2-179.8000108.7L276 C280 M303 L305L276-I287 HydrophobicContact CG-CD1 4.02Å; C280-I287 HydrophobicContact CB-CD1 3.7Å; C280-I287 HydrophobicContact CB-CG1 3.74Å; I287-M303 HydrophobicContact CG2-SD 3.77Å; I287-L305 HydrophobicContact CB-CD2 4.24Å; I287-L305 HydrophobicContact CG1-CD2 3.82Å; I287-L305 HydrophobicContact CG2-CD2 4.08Å
288E91.4Very high87.4Confident98 Ų9880.7 Ų80.746%0.45840%0.401SS..EExtended strand (participates in β ladder)trans-128.4133.5172.9-67.7170-153.800109.4I304E288-I304 HydrophobicContact CB-CB 4.1Å; E288-I304 PolarHBondContact N-O 2.68Å; E288-I304 PolarHBondContact O-N 3.1Å
289I93.8Very high87.3Confident38 Ų3877.3 Ų77.320%0.19539%0.385CS..EExtended strand (participates in β ladder)trans-114.9110.6171.4-60.5-178.9000107.5Y301 T302 M303 E328 L331I289-Y301 HydrophobicContact CG2-CD1 4.05Å; I289-T302 WeakPolarHBondContact CA-O 3.41Å; I289-M303 HydrophobicContact CD1-CE 3.92Å; I289-M303 HydrophobicContact CG1-CE 3.85Å; I289-M303 HydrophobicContact CG1-SD 4.09Å; I289-E328 HydrophobicContact CD1-CB 4.22Å; I289-E328 HydrophobicContact CD1-CG 4.28Å; I289-L331 HydrophobicContact CD1-CD2 4.37Å; I289-L331 HydrophobicContact CG1-CD2 4.28Å; I289-L331 HydrophobicContact CG2-CD2 3.79Å
290N92.6Very high87.3Confident83 Ų8379.9 Ų79.944%0.44440%0.397SS..EExtended strand (participates in β ladder)trans-91.1121176.1-76.6-20.9000109.8Y301 T302 I304N290-Y301 CarbonylContact O-C 3.56Å; N290-Y301 WeakPolarHBondContact O-CA 3.48Å; N290-T302 PolarHBondContact N-O 3.29Å; N290-T302 PolarHBondContact O-N 3.41Å; N290-I304 WeakPolarHBondContact ND2-CD1 3.38Å
291Q91.6Very high87.4Confident106 Ų10680.6 Ų80.650%0.49540%0.4SS..EExtended strand (participates in β ladder)trans-105.9124.5173.1-175-1730.400109.4E299 Q300 Y301Q291-E299 PolarHBondContact NE2-OE2 3.47Å; Q291-Q300 CarbonylContact C-O 3.5Å; Q291-Q300 WeakPolarHBondContact CA-O 3.47Å; Q291-Y301 HydrophobicContact CB-CD1 4.23Å; Q291-Y301 HydrophobicContact CB-CE1 4.05Å; Q291-Y301 HydrophobicContact CG-CD1 4.23Å; Q291-Y301 HydrophobicContact CG-CE1 3.75Å; Q291-Y301 HydrophobicContact CG-CE2 4.19Å; Q291-Y301 PolarHBondContact NE2-OH 2.88Å; Q291-Y301 VanDerWaalsContact NE2-OH 3.09Å
292K91Very high87.8Confident138 Ų13873.8 Ų73.860%0.637%0.372SS*.EExtended strand (participates in β ladder)trans-128.3125.8177.6-176.2179.8178.6-177.50110.1L294 E299 Q300K292-L294 PolarHBondContact O-N 3.26Å; K292-E299 CarbonylContact O-C 3.57Å; K292-E299 WeakPolarHBondContact O-CA 3.3Å; K292-Q300 PolarHBondContact N-O 3.21Å; K292-Q300 PolarHBondContact O-N 3.39Å
293R88.3Confident88.4Confident171 Ų17168.1 Ų68.165%0.64535%0.346SS*.EExtended strand (participates in β ladder)trans-72.6125.6171.6-167.7170.5178.1-179.50.7110E299R293-E299 HydrophobicContact CG-CG 4.48Å
294L86.3Confident88.9Confident46 Ų4667.5 Ų67.524%0.24134%0.341CS..PPolyproline II helixtrans-89.9171.9175.8-59.6-177.4000110.6K292 G296 S298 Q300 E314K292-L294 PolarHBondContact O-N 3.26Å; L294-G296 PolarHBondContact O-N 2.77Å; L294-S298 WeakPolarHBondContact CB-O 3.41Å; L294-S298 PolarHBondContact N-O 2.82Å; L294-Q300 HydrophobicContact CD1-CB 4.09Å; L294-Q300 HydrophobicContact CD2-CB 4.06Å; L294-Q300 HydrophobicContact CG-CB 4.06Å; L294-E314 HydrophobicContact CD1-CG 3.81Å
295V82.3Confident89.4Confident152 Ų15264.3 Ų64.392%0.92132%0.32SS*.SBendtrans-61.4127.2174-179.90000109.2
296G80.9Confident89.2Confident45 Ų4563.6 Ų63.646%0.46432%0.316SS..SBendtrans93.5-137.2-178.200000113.5L294L294-G296 PolarHBondContact O-N 2.77Å
297W81.1Confident89Confident176 Ų17662.1 Ų62.167%0.66731%0.311SS*.SBendtrans-109.136.8-175.7-52.898000111.6R316 A317 V318W297-R316 CarbonylContact O-C 3.43Å; W297-R316 WeakPolarHBondContact O-CA 3.3Å; W297-A317 PolarHBondContact O-N 2.95Å; W297-V318 HydrophobicContact CB-CG2 3.97Å; W297-V318 HydrophobicContact CG-CG2 4.49Å
298S84.4Confident88.9Confident18 Ų1859.5 Ų59.513%0.12630%0.297CS..EExtended strand (participates in β ladder)trans-120.4148179.6-72.20000111.1L294 E314 V315L294-S298 WeakPolarHBondContact CB-O 3.41Å; L294-S298 PolarHBondContact N-O 2.82Å; S298-E314 WeakPolarHBondContact CB-OE1 3.32Å; S298-E314 PolarHBondContact OG-OE1 2.8Å; S298-V315 CarbonylContact C-O 3.53Å; S298-V315 WeakPolarHBondContact CA-O 3.08Å
299E89.9Confident88.9Confident43 Ų4355.8 Ų55.820%0.20128%0.281CS..EExtended strand (participates in β ladder)trans-128.6138.1173.6-65.2-178.9173.500108.9Q291 K292 R293 Y301 E314 V315 A317Q291-E299 PolarHBondContact NE2-OE2 3.47Å; K292-E299 CarbonylContact O-C 3.57Å; K292-E299 WeakPolarHBondContact O-CA 3.3Å; R293-E299 HydrophobicContact CG-CG 4.48Å; E299-Y301 HydrophobicContact CB-CD2 4.47Å; E299-Y301 HydrophobicContact CB-CE2 3.99Å; E299-Y301 PolarHBondContact OE2-OH 2.89Å; E299-E314 CarbonylContact O-C 3.5Å; E299-E314 WeakPolarHBondContact O-CA 3.3Å; E299-V315 PolarHBondContact N-O 2.83Å; E299-V315 PolarHBondContact O-N 3.07Å; E299-A317 HydrophobicContact CG-CB 4.34Å
300Q93.1Very high88.9Confident55 Ų5554.3 Ų54.326%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-103.4126174.3-168.9177.718.800109.1Q291 K292 L294 D312 M313Q291-Q300 CarbonylContact C-O 3.5Å; Q291-Q300 WeakPolarHBondContact CA-O 3.47Å; K292-Q300 PolarHBondContact N-O 3.21Å; K292-Q300 PolarHBondContact O-N 3.39Å; L294-Q300 HydrophobicContact CD1-CB 4.09Å; L294-Q300 HydrophobicContact CD2-CB 4.06Å; L294-Q300 HydrophobicContact CG-CB 4.06Å; Q300-D312 PolarHBondContact NE2-OD2 3.12Å; Q300-M313 CarbonylContact C-O 3.55Å; Q300-M313 WeakPolarHBondContact CA-O 3.45Å
301Y94.7Very high89Confident16 Ų1650.8 Ų50.86%0.06326%0.255CS..EExtended strand (participates in β ladder)trans-106.7129.7172.3-72.7-98.5000108.6I289 N290 Q291 E299 D312 M313 V315 P327 E328I289-Y301 HydrophobicContact CG2-CD1 4.05Å; N290-Y301 CarbonylContact O-C 3.56Å; N290-Y301 WeakPolarHBondContact O-CA 3.48Å; Q291-Y301 HydrophobicContact CB-CD1 4.23Å; Q291-Y301 HydrophobicContact CB-CE1 4.05Å; Q291-Y301 HydrophobicContact CG-CD1 4.23Å; Q291-Y301 HydrophobicContact CG-CE1 3.75Å; Q291-Y301 HydrophobicContact CG-CE2 4.19Å; Q291-Y301 PolarHBondContact NE2-OH 2.88Å; Q291-Y301 VanDerWaalsContact NE2-OH 3.09Å; E299-Y301 HydrophobicContact CB-CD2 4.47Å; E299-Y301 HydrophobicContact CB-CE2 3.99Å; E299-Y301 PolarHBondContact OE2-OH 2.89Å; Y301-D312 CarbonylContact O-C 3.58Å; Y301-D312 VanDerWaalsContact O-CA 3.27Å; Y301-D312 WeakPolarHBondContact O-CA 3.45Å; Y301-M313 PolarHBondContact N-O 3.04Å; Y301-M313 PolarHBondContact O-N 2.72Å; Y301-V315 HydrophobicContact CD2-CB 4.41Å; Y301-V315 HydrophobicContact CD2-CG2 4.04Å; Y301-V315 HydrophobicContact CE2-CB 4.34Å; Y301-V315 HydrophobicContact CE2-CG2 4.3Å; Y301-P327 HydrophobicContact CD2-CB 4.26Å; Y301-P327 HydrophobicContact CE1-CB 4.41Å; Y301-P327 HydrophobicContact CE1-CG 4.2Å; Y301-P327 HydrophobicContact CE2-CB 3.91Å; Y301-P327 HydrophobicContact CE2-CG 4.04Å; Y301-E328 HydrophobicContact CD1-CG 4.4Å; Y301-E328 HydrophobicContact CE1-CG 4.15Å
302T95.6Very high89Confident25 Ų2549.7 Ų49.715%0.15325%0.253CS..EExtended strand (participates in β ladder)trans-124124.9179.9-54.40000109.5I289 N290 I304 V309I289-T302 WeakPolarHBondContact CA-O 3.41Å; N290-T302 PolarHBondContact N-O 3.29Å; N290-T302 PolarHBondContact O-N 3.41Å; T302-I304 HydrophobicContact CG2-CG1 4.17Å; T302-V309 HydrophobicContact CG2-CG1 3.6Å; T302-V309 HydrophobicContact CG2-CG2 4.49Å
303M96.7Very high89.1Confident0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-85.3126.3172.5-17862.768.100109.9L276 I287 I289 L305 I310 C311 L331 T335L276-M303 HydrophobicContact CD2-CE 3.71Å; L276-M303 HydrophobicContact CD2-SD 4.22Å; I287-M303 HydrophobicContact CG2-SD 3.77Å; I289-M303 HydrophobicContact CD1-CE 3.92Å; I289-M303 HydrophobicContact CG1-CE 3.85Å; I289-M303 HydrophobicContact CG1-SD 4.09Å; M303-L305 HydrophobicContact CG-CD2 4.2Å; M303-L305 HydrophobicContact CG-CG 4.18Å; M303-L305 HydrophobicContact SD-CD2 3.89Å; M303-I310 HydrophobicContact CB-CB 4.46Å; M303-I310 HydrophobicContact CG-CB 4.32Å; M303-I310 PolarHBondContact O-N 3.2Å; M303-C311 PolarHBondContact N-O 2.86Å; M303-L331 HydrophobicContact CB-CD1 4.14Å; M303-L331 HydrophobicContact CB-CD2 3.94Å; M303-L331 HydrophobicContact CB-CG 4.01Å; M303-L331 HydrophobicContact CE-CD2 3.97Å; M303-L331 HydrophobicContact CE-CG 4.09Å; M303-T335 WeakPolarHBondContact CB-OG1 3.05Å; M303-T335 HydrophobicContact CG-CG2 3.71Å; M303-T335 VanDerWaalsContact CG-OG1 3.31Å; M303-T335 WeakPolarHBondContact CG-OG1 3.31Å
304I92.7Very high89.1Confident20 Ų2041.5 Ų41.510%0.10322%0.224CC..EExtended strand (participates in β ladder)trans-122.6124.3174.3-56.4179.9000109.1E288 N290 T302 V308 V309E288-I304 HydrophobicContact CB-CB 4.1Å; E288-I304 PolarHBondContact N-O 2.68Å; E288-I304 PolarHBondContact O-N 3.1Å; N290-I304 WeakPolarHBondContact ND2-CD1 3.38Å; T302-I304 HydrophobicContact CG2-CG1 4.17Å; I304-V308 CarbonylContact C-O 3.59Å; I304-V308 VanDerWaalsContact CA-O 3.24Å; I304-V308 WeakPolarHBondContact CA-O 3.18Å; I304-V309 HydrophobicContact CD1-CG2 4.37Å; I304-V309 HydrophobicContact CG1-CG2 4.18Å
305L90.7Very high89.2Confident0 Ų039.7 Ų39.70%022%0.215CC..EExtended strand (participates in β ladder)trans-118.9116.8176.8-60.3-174.7000109.4L253 L256 L285 P286 I287 M303 G307 V308 I310 T335 L339L253-L305 HydrophobicContact CD2-CD1 4.44Å; L256-L305 HydrophobicContact CD1-CD1 4.03Å; L285-L305 HydrophobicContact CD2-CB 3.72Å; L285-L305 HydrophobicContact CG-CB 4.44Å; P286-L305 WeakPolarHBondContact O-CA 3.39Å; I287-L305 HydrophobicContact CB-CD2 4.24Å; I287-L305 HydrophobicContact CG1-CD2 3.82Å; I287-L305 HydrophobicContact CG2-CD2 4.08Å; M303-L305 HydrophobicContact CG-CD2 4.2Å; M303-L305 HydrophobicContact CG-CG 4.18Å; M303-L305 HydrophobicContact SD-CD2 3.89Å; L305-G307 PolarHBondContact O-N 3.26Å; L305-V308 PolarHBondContact N-O 2.93Å; L305-V308 WeakPolarHBondContact O-CB 3.47Å; L305-V308 PolarHBondContact O-N 3.48Å; L305-I310 HydrophobicContact CB-CD1 4.19Å; L305-I310 HydrophobicContact CB-CG1 3.89Å; L305-I310 HydrophobicContact CD1-CD1 4.29Å; L305-I310 HydrophobicContact CD1-CG1 3.79Å; L305-I310 HydrophobicContact CG-CD1 4.37Å; L305-I310 HydrophobicContact CG-CG1 3.63Å; L305-T335 HydrophobicContact CD1-CG2 4Å; L305-L339 HydrophobicContact CD1-CD1 4.1Å
306G80.4Confident89.1Confident1 Ų141.2 Ų41.21%0.0120%0.204CC..THydrogen-bonded Turntrans55.337.7-179.300000113.6P286 V308P286-G306 PolarHBondContact O-N 3.13Å; G306-V308 VanDerWaalsContact C-N 3.25Å; G306-V308 PolarHBondContact O-N 3.15Å
307G80.5Confident88.5Confident19 Ų1940.8 Ų40.820%0.19620%0.196CC..THydrogen-bonded Turntrans77.9-1.6-175.600000115.5L305L305-G307 PolarHBondContact O-N 3.26Å
308V88.1Confident87.7Confident0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-92.4125177-175.60000110.4L249 I304 L305 G306 I310 L348 V356L249-V308 HydrophobicContact CB-CG2 4.34Å; L249-V308 HydrophobicContact CD1-CG2 3.26Å; L249-V308 HydrophobicContact CD2-CG2 3.78Å; L249-V308 HydrophobicContact CG-CG2 3.99Å; I304-V308 CarbonylContact C-O 3.59Å; I304-V308 VanDerWaalsContact CA-O 3.24Å; I304-V308 WeakPolarHBondContact CA-O 3.18Å; L305-V308 PolarHBondContact N-O 2.93Å; L305-V308 WeakPolarHBondContact O-CB 3.47Å; L305-V308 PolarHBondContact O-N 3.48Å; G306-V308 VanDerWaalsContact C-N 3.25Å; G306-V308 PolarHBondContact O-N 3.15Å; V308-I310 HydrophobicContact CB-CD1 4.03Å; V308-I310 HydrophobicContact CG1-CD1 3.72Å; V308-I310 PolarHBondContact O-N 3.46Å; V308-L348 HydrophobicContact CG1-CD2 3.61Å; V308-V356 HydrophobicContact CG1-CG1 4.13Å; V308-V356 HydrophobicContact CG2-CB 4.43Å; V308-V356 HydrophobicContact CG2-CG1 4.25Å
309V92.2Very high86.3Confident19 Ų1939.6 Ų39.612%0.11521%0.21CC..EExtended strand (participates in β ladder)trans-72.3111.3170.2179.10000109.1T302 I304 V355 V356 H357 M358T302-V309 HydrophobicContact CG2-CG1 3.6Å; T302-V309 HydrophobicContact CG2-CG2 4.49Å; I304-V309 HydrophobicContact CD1-CG2 4.37Å; I304-V309 HydrophobicContact CG1-CG2 4.18Å; V309-V355 HydrophobicContact CG2-CG1 4.21Å; V309-V356 PolarHBondContact N-O 2.83Å; V309-H357 WeakPolarHBondContact CG1-ND1 3.07Å; V309-H357 WeakPolarHBondContact O-CA 3.33Å; V309-M358 PolarHBondContact O-N 3.33Å
310I94.9Very high84.6Confident7 Ų746.7 Ų46.74%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-88.4-53.4-175.7-56-58.8000111.2L253 M303 L305 V308 T335 M358L253-I310 HydrophobicContact CD1-CD1 3.94Å; L253-I310 HydrophobicContact CD2-CD1 4.15Å; M303-I310 HydrophobicContact CB-CB 4.46Å; M303-I310 HydrophobicContact CG-CB 4.32Å; M303-I310 PolarHBondContact O-N 3.2Å; L305-I310 HydrophobicContact CB-CD1 4.19Å; L305-I310 HydrophobicContact CB-CG1 3.89Å; L305-I310 HydrophobicContact CD1-CD1 4.29Å; L305-I310 HydrophobicContact CD1-CG1 3.79Å; L305-I310 HydrophobicContact CG-CD1 4.37Å; L305-I310 HydrophobicContact CG-CG1 3.63Å; V308-I310 HydrophobicContact CB-CD1 4.03Å; V308-I310 HydrophobicContact CG1-CD1 3.72Å; V308-I310 PolarHBondContact O-N 3.46Å; I310-T335 HydrophobicContact CB-CG2 4.39Å; I310-T335 HydrophobicContact CG2-CG2 3.89Å; I310-M358 HydrophobicContact CD1-CB 4.33Å; I310-M358 HydrophobicContact CD1-SD 4.42Å; I310-M358 HydrophobicContact CG2-CE 3.43Å; I310-M358 VanDerWaalsContact CG2-CE 3.43Å; I310-M358 HydrophobicContact CG2-SD 4.13Å
311C93.4Very high82.7Confident10 Ų1050.9 Ų50.97%0.06826%0.264CS..EExtended strand (participates in β ladder)trans-156.3158.617867.60000111M303 K334 T335M303-C311 PolarHBondContact N-O 2.86Å; C311-K334 HydrophobicContact CB-CD 4.38Å; C311-K334 HydrophobicContact CB-CG 4.44Å; C311-T335 PolarHBondContact SG-OG1 3.42Å; C311-T335 VanDerWaalsContact SG-OG1 3.33Å
312D92.9Very high80.7Confident83 Ų8356.4 Ų56.444%0.44429%0.288SS..EExtended strand (participates in β ladder)trans-123.3153.3174.763.7-41.3000110.9Q300 Y301 K334Q300-D312 PolarHBondContact NE2-OD2 3.12Å; Y301-D312 CarbonylContact O-C 3.58Å; Y301-D312 VanDerWaalsContact O-CA 3.27Å; Y301-D312 WeakPolarHBondContact O-CA 3.45Å; D312-K334 PolarHBondContact O-NZ 2.83Å
313M91.4Very high79Confident16 Ų1659.7 Ų59.78%0.07931%0.31CS..EExtended strand (participates in β ladder)trans-142.5127.3179.5-176.31718000109.6Q300 Y301 V315 P327 E330 L331Q300-M313 CarbonylContact C-O 3.55Å; Q300-M313 WeakPolarHBondContact CA-O 3.45Å; Y301-M313 PolarHBondContact N-O 3.04Å; Y301-M313 PolarHBondContact O-N 2.72Å; M313-V315 HydrophobicContact CE-CG2 3.49Å; M313-V315 VanDerWaalsContact CE-CG2 3.49Å; M313-V315 HydrophobicContact CG-CG2 4.06Å; M313-V315 HydrophobicContact SD-CG2 4.38Å; M313-P327 HydrophobicContact CE-CB 3.91Å; M313-P327 WeakPolarHBondContact CE-O 3.08Å; M313-E330 HydrophobicContact CE-CB 4.11Å; M313-E330 HydrophobicContact CE-CG 4.29Å; M313-E330 HydrophobicContact SD-CB 4.27Å; M313-E330 HydrophobicContact SD-CG 3.81Å; M313-L331 HydrophobicContact CB-CD1 4.15Å; M313-L331 HydrophobicContact CE-CB 4.39Å
314E89.5Confident77.3Confident120 Ų12061.5 Ų61.556%0.56132%0.318SS*.EExtended strand (participates in β ladder)trans-95.6129.7170.7-170.9-178.6155.400109.9L294 S298 E299L294-E314 HydrophobicContact CD1-CG 3.81Å; S298-E314 WeakPolarHBondContact CB-OE1 3.32Å; S298-E314 PolarHBondContact OG-OE1 2.8Å; E299-E314 CarbonylContact O-C 3.5Å; E299-E314 WeakPolarHBondContact O-CA 3.3Å
315V87.3Confident76.2Confident9 Ų965.6 Ų65.66%0.05534%0.344CS..EExtended strand (participates in β ladder)trans-123.3132.5-176.61760000108.8S298 E299 Y301 M313 H324 P327S298-V315 CarbonylContact C-O 3.53Å; S298-V315 WeakPolarHBondContact CA-O 3.08Å; E299-V315 PolarHBondContact N-O 2.83Å; E299-V315 PolarHBondContact O-N 3.07Å; Y301-V315 HydrophobicContact CD2-CB 4.41Å; Y301-V315 HydrophobicContact CD2-CG2 4.04Å; Y301-V315 HydrophobicContact CE2-CB 4.34Å; Y301-V315 HydrophobicContact CE2-CG2 4.3Å; M313-V315 HydrophobicContact CE-CG2 3.49Å; M313-V315 VanDerWaalsContact CE-CG2 3.49Å; M313-V315 HydrophobicContact CG-CG2 4.06Å; M313-V315 HydrophobicContact SD-CG2 4.38Å; V315-H324 HydrophobicContact CG1-CB 3.99Å; V315-P327 HydrophobicContact CG1-CB 4.47Å; V315-P327 HydrophobicContact CG2-CB 3.97Å
316R80.2Confident75.9Confident184 Ų18471.3 Ų71.369%0.69437%0.371SS*.EExtended strand (participates in β ladder)trans-75.4126.5169.4-73.5-172.3-151.9178.37.9110.6W297 V318W297-R316 CarbonylContact O-C 3.43Å; W297-R316 WeakPolarHBondContact O-CA 3.3Å; R316-V318 PolarHBondContact O-N 2.86Å; R316-V318 VanDerWaalsContact O-N 3.16Å
317A68.4Low76.3Confident36 Ų3672.3 Ų72.330%0.29838%0.377SS..  trans-76.810.9178.200000114.3W297 E299W297-A317 PolarHBondContact O-N 2.95Å; E299-A317 HydrophobicContact CG-CB 4.34Å
318V64.1Low76.8Confident62 Ų6274.7 Ų74.738%0.37638%0.383SS..  trans-76.9125.6-171.8-174.60000111.1W297 R316 K320W297-V318 HydrophobicContact CB-CG2 3.97Å; W297-V318 HydrophobicContact CG-CG2 4.49Å; R316-V318 PolarHBondContact O-N 2.86Å; R316-V318 VanDerWaalsContact O-N 3.16Å; V318-K320 PolarHBondContact O-N 2.8Å
319P55.9Low77Confident107 Ų10777.2 Ų77.270%0.69540%0.396SS*.G310 helixtrans-64.4-32.3-172.7-22.631.2000115.4N321P319-N321 PolarHBondContact O-N 2.89Å
320K54.1Low77Confident191 Ų19179.9 Ų79.983%0.8341%0.407SS*.G310 helixtrans-75.5-21.6-162.7-77.7-172.1174.6-177.70114.9V318V318-K320 PolarHBondContact O-N 2.8Å
321N52.8Low77Confident144 Ų14479.5 Ų79.577%0.7741%0.406SS*.G310 helixtrans-149.660.7179.2-77.9-24.4000108.1P319 P323P319-N321 PolarHBondContact O-N 2.89Å; N321-P323 WeakPolarHBondContact O-CD 3.41Å
322K53.9Low77.1Confident131 Ų13179.2 Ų79.257%0.5740%0.403SS*.  trans-59106.7174.9-75.5-172.5178.2-174.40107.8H324K322-H324 PolarHBondContact O-N 3.38Å
323P59Low77.2Confident94 Ų9477.4 Ų77.461%0.6139%0.394SS*.SBendtrans-67-26.2172.9-5.823.4000109.6N321N321-P323 WeakPolarHBondContact O-CD 3.41Å
324H60.9Low77.3Confident38 Ų3881 Ų8118%0.17641%0.409CS..  trans-112.388.1-172.2-47.5-76000108.8V315 K322 H326 P327 E330V315-H324 HydrophobicContact CG1-CB 3.99Å; K322-H324 PolarHBondContact O-N 3.38Å; H324-H326 PolarHBondContact O-N 2.93Å; H324-P327 HydrophobicContact CB-CB 4.42Å; H324-E330 IonicContact CE1-OE1 3.58Å; H324-E330 PolarHBondContact CE1-OE1 3.47Å; H324-E330 VanDerWaalsContact CE1-OE1 3.29Å; H324-E330 IonicContact CE1-OE2 2.89Å; H324-E330 IonicContact CG-OE2 3.13Å; H324-E330 IonicContact ND1-OE1 3.96Å; H324-E330 PolarHBondContact ND1-OE1 3.37Å; H324-E330 VanDerWaalsContact ND1-OE1 3.13Å; H324-E330 IonicContact ND1-OE2 3.55Å; H324-E330 PolarHBondContact ND1-OE2 3.31Å
325V69.4Low77.7Confident106 Ų10675.2 Ų75.264%0.64238%0.382SS*.SBendtrans-64-35.4178-175.20000110.5
326H85.4Confident78.1Confident121 Ų12174.8 Ų74.856%0.5638%0.379SS*.SBendtrans-134.882.4179.6-62.3-69.9000110.1H324 E328 D329 E330H324-H326 PolarHBondContact O-N 2.93Å; H326-E328 PolarHBondContact O-N 2.92Å; H326-D329 HydrophobicContact CB-CB 3.99Å; H326-D329 IonicContact CG-OD2 2.81Å; H326-D329 PolarHBondContact O-N 3.49Å; H326-D329 VanDerWaalsContact O-N 3.1Å; H326-E330 PolarHBondContact O-N 2.95Å
327P88.3Confident78.8Confident21 Ų2169.3 Ų69.314%0.13636%0.364CS..Hα-helixtrans-60.6-30.4-175.324.4-34.5000113.1Y301 M313 V315 H324 L331Y301-P327 HydrophobicContact CD2-CB 4.26Å; Y301-P327 HydrophobicContact CE1-CB 4.41Å; Y301-P327 HydrophobicContact CE1-CG 4.2Å; Y301-P327 HydrophobicContact CE2-CB 3.91Å; Y301-P327 HydrophobicContact CE2-CG 4.04Å; M313-P327 HydrophobicContact CE-CB 3.91Å; M313-P327 WeakPolarHBondContact CE-O 3.08Å; V315-P327 HydrophobicContact CG1-CB 4.47Å; V315-P327 HydrophobicContact CG2-CB 3.97Å; H324-P327 HydrophobicContact CB-CB 4.42Å; P327-L331 WeakPolarHBondContact O-CB 3.37Å; P327-L331 PolarHBondContact O-N 3.01Å
328E91.3Very high80.1Confident70 Ų7068.1 Ų68.133%0.32735%0.353SS..Hα-helixtrans-68.8-36176.4-63.6-175.7-168.200112.9R273 I289 Y301 H326 L331 C332R273-E328 IonicContact CZ-OE2 3.29Å; R273-E328 VanDerWaalsContact CZ-OE2 3.28Å; R273-E328 IonicContact NH1-OE2 3.63Å; R273-E328 PolarHBondContact NH1-OE2 3.28Å; R273-E328 IonicContact NH2-OE2 2.65Å; I289-E328 HydrophobicContact CD1-CB 4.22Å; I289-E328 HydrophobicContact CD1-CG 4.28Å; Y301-E328 HydrophobicContact CD1-CG 4.4Å; Y301-E328 HydrophobicContact CE1-CG 4.15Å; H326-E328 PolarHBondContact O-N 2.92Å; E328-L331 PolarHBondContact O-N 3.16Å; E328-C332 PolarHBondContact O-N 3.3Å; E328-C332 PolarHBondContact O-SG 3.04Å
329D91.9Very high81.6Confident53 Ų5365.1 Ų65.128%0.28334%0.335SS..Hα-helixtrans-69.8-39.1177.5-78.6-27.5000111.1P272 R273 H326 C332 L333P272-D329 HydrophobicContact CG-CB 3.7Å; P272-D329 WeakPolarHBondContact CG-O 3.34Å; R273-D329 WeakPolarHBondContact CB-OD1 3.46Å; H326-D329 HydrophobicContact CB-CB 3.99Å; H326-D329 IonicContact CG-OD2 2.81Å; H326-D329 PolarHBondContact O-N 3.49Å; H326-D329 VanDerWaalsContact O-N 3.1Å; D329-C332 WeakPolarHBondContact O-CB 3.33Å; D329-C332 PolarHBondContact O-N 2.9Å; D329-L333 WeakPolarHBondContact O-CG 3.43Å; D329-L333 PolarHBondContact O-N 3.08Å
330E91.7Very high83.4Confident74 Ų7461.6 Ų61.635%0.34631%0.31SS..Hα-helixtrans-68.1-38.4175-173.5175.3164.600112.4M313 H324 H326 C332 L333 K334M313-E330 HydrophobicContact CE-CB 4.11Å; M313-E330 HydrophobicContact CE-CG 4.29Å; M313-E330 HydrophobicContact SD-CB 4.27Å; M313-E330 HydrophobicContact SD-CG 3.81Å; H324-E330 IonicContact CE1-OE1 3.58Å; H324-E330 PolarHBondContact CE1-OE1 3.47Å; H324-E330 VanDerWaalsContact CE1-OE1 3.29Å; H324-E330 IonicContact CE1-OE2 2.89Å; H324-E330 IonicContact CG-OE2 3.13Å; H324-E330 IonicContact ND1-OE1 3.96Å; H324-E330 PolarHBondContact ND1-OE1 3.37Å; H324-E330 VanDerWaalsContact ND1-OE1 3.13Å; H324-E330 IonicContact ND1-OE2 3.55Å; H324-E330 PolarHBondContact ND1-OE2 3.31Å; H326-E330 PolarHBondContact O-N 2.95Å; E330-C332 VanDerWaalsContact C-N 3.32Å; E330-C332 PolarHBondContact O-N 2.93Å; E330-L333 PolarHBondContact O-N 3.26Å; E330-K334 WeakPolarHBondContact O-CB 3.34Å; E330-K334 PolarHBondContact O-N 2.94Å
331L95.1Very high85.4Confident0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-60.5-43.3170.4-178.470.9000110.9I289 M303 M313 P327 E328 K334 T335I289-L331 HydrophobicContact CD1-CD2 4.37Å; I289-L331 HydrophobicContact CG1-CD2 4.28Å; I289-L331 HydrophobicContact CG2-CD2 3.79Å; M303-L331 HydrophobicContact CB-CD1 4.14Å; M303-L331 HydrophobicContact CB-CD2 3.94Å; M303-L331 HydrophobicContact CB-CG 4.01Å; M303-L331 HydrophobicContact CE-CD2 3.97Å; M303-L331 HydrophobicContact CE-CG 4.09Å; M313-L331 HydrophobicContact CB-CD1 4.15Å; M313-L331 HydrophobicContact CE-CB 4.39Å; P327-L331 WeakPolarHBondContact O-CB 3.37Å; P327-L331 PolarHBondContact O-N 3.01Å; E328-L331 PolarHBondContact O-N 3.16Å; L331-K334 PolarHBondContact O-N 2.94Å; L331-T335 WeakPolarHBondContact O-CB 3.26Å; L331-T335 PolarHBondContact O-N 3.49Å; L331-T335 PolarHBondContact O-OG1 3.44Å
332C95.7Very high87.3Confident3 Ų349.5 Ų49.52%0.0225%0.252CS..Hα-helixtrans-60.8-43.4175.1-67.30000111.7P272 L276 E328 D329 E330 T335 I336P272-C332 HydrophobicContact CB-CB 3.83Å; P272-C332 HydrophobicContact CG-CB 4.44Å; L276-C332 HydrophobicContact CD2-CB 4.23Å; E328-C332 PolarHBondContact O-N 3.3Å; E328-C332 PolarHBondContact O-SG 3.04Å; D329-C332 WeakPolarHBondContact O-CB 3.33Å; D329-C332 PolarHBondContact O-N 2.9Å; E330-C332 VanDerWaalsContact C-N 3.32Å; E330-C332 PolarHBondContact O-N 2.93Å; C332-T335 WeakPolarHBondContact O-CB 3.4Å; C332-T335 PolarHBondContact O-N 3.21Å; C332-I336 WeakPolarHBondContact O-CG1 3.43Å; C332-I336 PolarHBondContact O-N 3.05Å
333L94.4Very high88.9Confident45 Ų4546.5 Ų46.524%0.23626%0.258CS..Hα-helixtrans-60-49.3175.4-73.7170.8000111.7W268 R269 P272 D329 E330 T335 I336 D337W268-L333 HydrophobicContact CE3-CD2 4.13Å; W268-L333 HydrophobicContact CZ3-CD2 4.17Å; R269-L333 HydrophobicContact CG-CD2 4.17Å; P272-L333 HydrophobicContact CB-CD2 3.71Å; P272-L333 HydrophobicContact CB-CG 3.71Å; P272-L333 HydrophobicContact CG-CD1 4.44Å; P272-L333 HydrophobicContact CG-CD2 4.19Å; P272-L333 HydrophobicContact CG-CG 3.9Å; D329-L333 WeakPolarHBondContact O-CG 3.43Å; D329-L333 PolarHBondContact O-N 3.08Å; E330-L333 PolarHBondContact O-N 3.26Å; L333-T335 PolarHBondContact O-N 3.42Å; L333-I336 PolarHBondContact O-N 3.45Å; L333-D337 PolarHBondContact O-N 2.86Å
334K94.8Very high90.5Very high91 Ų9148.2 Ų48.240%0.39626%0.256SS..Hα-helixtrans-59.6-36.6177.1-172.3178.7-178.8-177.90111.8C311 D312 E330 L331 S338C311-K334 HydrophobicContact CB-CD 4.38Å; C311-K334 HydrophobicContact CB-CG 4.44Å; D312-K334 PolarHBondContact O-NZ 2.83Å; E330-K334 WeakPolarHBondContact O-CB 3.34Å; E330-K334 PolarHBondContact O-N 2.94Å; L331-K334 PolarHBondContact O-N 2.94Å; K334-S338 WeakPolarHBondContact O-CB 3.23Å; K334-S338 PolarHBondContact O-N 3.41Å; K334-S338 PolarHBondContact O-OG 3.22Å
335T96.7Very high92Very high0 Ų050 Ų500%026%0.264CS..Hα-helixtrans-63-51.4175.3-58.50000110.6L276 M303 L305 I310 C311 L331 C332 L333 D337 S338 L339L276-T335 HydrophobicContact CD1-CG2 4.39Å; L276-T335 HydrophobicContact CD2-CG2 4.09Å; M303-T335 WeakPolarHBondContact CB-OG1 3.05Å; M303-T335 HydrophobicContact CG-CG2 3.71Å; M303-T335 VanDerWaalsContact CG-OG1 3.31Å; M303-T335 WeakPolarHBondContact CG-OG1 3.31Å; L305-T335 HydrophobicContact CD1-CG2 4Å; I310-T335 HydrophobicContact CB-CG2 4.39Å; I310-T335 HydrophobicContact CG2-CG2 3.89Å; C311-T335 PolarHBondContact SG-OG1 3.42Å; C311-T335 VanDerWaalsContact SG-OG1 3.33Å; L331-T335 WeakPolarHBondContact O-CB 3.26Å; L331-T335 PolarHBondContact O-N 3.49Å; L331-T335 PolarHBondContact O-OG1 3.44Å; C332-T335 WeakPolarHBondContact O-CB 3.4Å; C332-T335 PolarHBondContact O-N 3.21Å; L333-T335 PolarHBondContact O-N 3.42Å; T335-D337 PolarHBondContact O-N 2.97Å; T335-S338 PolarHBondContact O-N 3.4Å; T335-S338 VanDerWaalsContact O-N 3.17Å; T335-L339 HydrophobicContact CG2-CD1 4.13Å; T335-L339 HydrophobicContact CG2-CG 4.49Å; T335-L339 WeakPolarHBondContact O-CG 3.28Å; T335-L339 PolarHBondContact O-N 3.32Å
336I96.3Very high93.1Very high0 Ų047.3 Ų47.30%024%0.243CC..Hα-helixtrans-60.2-48.1179.2-65.8165.9000110.7F260 W268 P272 L276 C332 L333 S338 L339 L340F260-I336 HydrophobicContact CB-CG2 4.35Å; F260-I336 HydrophobicContact CD1-CD1 4.48Å; F260-I336 HydrophobicContact CD1-CG1 4.37Å; F260-I336 HydrophobicContact CD1-CG2 3.94Å; F260-I336 HydrophobicContact CD2-CG2 4.35Å; F260-I336 HydrophobicContact CE1-CD1 3.93Å; F260-I336 HydrophobicContact CE1-CG1 3.94Å; F260-I336 HydrophobicContact CE1-CG2 4.36Å; F260-I336 HydrophobicContact CE2-CG1 4.22Å; F260-I336 HydrophobicContact CG-CG2 3.96Å; F260-I336 HydrophobicContact CZ-CD1 4.25Å; F260-I336 HydrophobicContact CZ-CG1 3.87Å; W268-I336 HydrophobicContact CB-CD1 4.21Å; W268-I336 HydrophobicContact CD2-CG2 4.07Å; W268-I336 HydrophobicContact CE3-CD1 4.33Å; W268-I336 HydrophobicContact CE3-CG2 3.98Å; W268-I336 HydrophobicContact CH2-CG2 4.38Å; W268-I336 HydrophobicContact CZ2-CG2 4.47Å; W268-I336 HydrophobicContact CZ3-CG2 4.13Å; P272-I336 HydrophobicContact CB-CD1 4.45Å; L276-I336 HydrophobicContact CD1-CG1 4.31Å; C332-I336 WeakPolarHBondContact O-CG1 3.43Å; C332-I336 PolarHBondContact O-N 3.05Å; L333-I336 PolarHBondContact O-N 3.45Å; I336-S338 PolarHBondContact O-N 2.78Å; I336-L339 WeakPolarHBondContact O-CB 3.25Å; I336-L339 PolarHBondContact O-N 3.36Å; I336-L339 VanDerWaalsContact O-N 3.09Å; I336-L340 HydrophobicContact CG2-CD1 4.2Å; I336-L340 HydrophobicContact CG2-CG 4.48Å; I336-L340 WeakPolarHBondContact O-CG 3.41Å; I336-L340 PolarHBondContact O-N 2.79Å
337D94.5Very high93.5Very high68 Ų6846.9 Ų46.936%0.36424%0.24SC..Hα-helixtrans-58.6-38.1177.4-73.8-25.9000111.5L333 T335L333-D337 PolarHBondContact O-N 2.86Å; T335-D337 PolarHBondContact O-N 2.97Å
338S95.4Very high93.7Very high11 Ų1146.7 Ų46.78%0.07724%0.237CC..Hα-helixtrans-72.9-33.5177.6-52.90000112.6K334 T335 I336 E341 F342 Y346K334-S338 WeakPolarHBondContact O-CB 3.23Å; K334-S338 PolarHBondContact O-N 3.41Å; K334-S338 PolarHBondContact O-OG 3.22Å; T335-S338 PolarHBondContact O-N 3.4Å; T335-S338 VanDerWaalsContact O-N 3.17Å; I336-S338 PolarHBondContact O-N 2.78Å; S338-E341 PolarHBondContact O-N 2.83Å; S338-F342 PolarHBondContact O-N 3.49Å; S338-Y346 WeakPolarHBondContact O-CD2 3.45Å
339L95.9Very high93.6Very high0 Ų049 Ų490%025%0.246CC..Hα-helixtrans-67.4-40.6174.3-71.9171.8000111.9L253 L256 S257 F260 L276 L305 T335 I336 E341 F342L253-L339 HydrophobicContact CB-CD2 4.35Å; L253-L339 HydrophobicContact CD2-CD2 3.99Å; L256-L339 HydrophobicContact CB-CD1 4.32Å; L256-L339 HydrophobicContact CD1-CD1 4.17Å; S257-L339 VanDerWaalsContact CB-O 3.3Å; S257-L339 WeakPolarHBondContact CB-O 3.24Å; S257-L339 PolarHBondContact OG-O 2.82Å; F260-L339 HydrophobicContact CD2-CD1 4.34Å; F260-L339 HydrophobicContact CE2-CD1 3.95Å; L276-L339 HydrophobicContact CD1-CD1 4.35Å; L305-L339 HydrophobicContact CD1-CD1 4.1Å; T335-L339 HydrophobicContact CG2-CD1 4.13Å; T335-L339 HydrophobicContact CG2-CG 4.49Å; T335-L339 WeakPolarHBondContact O-CG 3.28Å; T335-L339 PolarHBondContact O-N 3.32Å; I336-L339 WeakPolarHBondContact O-CB 3.25Å; I336-L339 PolarHBondContact O-N 3.36Å; I336-L339 VanDerWaalsContact O-N 3.09Å; L339-E341 PolarHBondContact O-N 3.29Å; L339-F342 WeakPolarHBondContact O-CB 3.31Å; L339-F342 PolarHBondContact O-N 2.65Å
340L95.2Very high93.2Very high33 Ų3350.1 Ų50.117%0.17325%0.25CC..Hα-helixtrans-61.6-24176.4-70.8171.4000113.2F260 E261 W268 I336 K344F260-L340 HydrophobicContact CB-CD2 3.78Å; F260-L340 HydrophobicContact CB-CG 4.41Å; E261-L340 HydrophobicContact CB-CD2 4.49Å; E261-L340 HydrophobicContact CG-CD2 3.65Å; W268-L340 HydrophobicContact CH2-CD1 4.32Å; W268-L340 HydrophobicContact CZ2-CD1 4.06Å; I336-L340 HydrophobicContact CG2-CD1 4.2Å; I336-L340 HydrophobicContact CG2-CG 4.48Å; I336-L340 WeakPolarHBondContact O-CG 3.41Å; I336-L340 PolarHBondContact O-N 2.79Å; L340-K344 PolarHBondContact O-NZ 2.64Å
341E94.1Very high92.7Very high64 Ų6451 Ų5130%0.29926%0.26SS..THydrogen-bonded Turntrans-97.64.4175.5-66.1-64.6151.400113S338 L339 K344 Q345 Y346S338-E341 PolarHBondContact O-N 2.83Å; L339-E341 PolarHBondContact O-N 3.29Å; E341-K344 PolarHBondContact O-N 3.13Å; E341-K344 VanDerWaalsContact O-N 3.16Å; E341-Q345 HydrophobicContact CB-CB 4.25Å; E341-Q345 HydrophobicContact CB-CG 4.46Å; E341-Q345 PolarHBondContact O-N 3.1Å; E341-Q345 WeakPolarHBondContact OE2-CG 3.5Å; E341-Q345 PolarHBondContact OE2-NE2 3.21Å; E341-Y346 HydrophobicContact CB-CD2 3.7Å; E341-Y346 HydrophobicContact CB-CE2 3.81Å; E341-Y346 PolarHBondContact O-N 2.7Å
342F94.3Very high91.6Very high17 Ų1752.7 Ų52.78%0.07528%0.277CS..BIsolated β-bridgetrans-66.1135.9177.8-172.9-107.2000111.3T250 L253 S338 L339 K344 L348 M358T250-F342 HydrophobicContact CG2-CE1 3.96Å; T250-F342 HydrophobicContact CG2-CZ 4.05Å; L253-F342 HydrophobicContact CB-CD1 4Å; L253-F342 HydrophobicContact CB-CE1 3.77Å; L253-F342 HydrophobicContact CB-CE2 4.46Å; L253-F342 HydrophobicContact CB-CG 4.44Å; L253-F342 HydrophobicContact CB-CZ 4.02Å; L253-F342 HydrophobicContact CD1-CD2 4.48Å; L253-F342 HydrophobicContact CD1-CE2 4Å; L253-F342 HydrophobicContact CD1-CZ 4.09Å; S338-F342 PolarHBondContact O-N 3.49Å; L339-F342 WeakPolarHBondContact O-CB 3.31Å; L339-F342 PolarHBondContact O-N 2.65Å; F342-K344 PolarHBondContact O-N 3.25Å; F342-L348 HydrophobicContact CE2-CD2 4Å; F342-L348 HydrophobicContact CE2-CG 3.92Å; F342-L348 HydrophobicContact CZ-CD1 4.43Å; F342-L348 HydrophobicContact CZ-CD2 4.44Å; F342-L348 HydrophobicContact CZ-CG 3.96Å; F342-M358 HydrophobicContact CD2-CG 4.11Å; F342-M358 HydrophobicContact CD2-SD 3.59Å; F342-M358 VanDerWaalsContact CD2-SD 3.59Å; F342-M358 HydrophobicContact CE2-CG 4.31Å; F342-M358 HydrophobicContact CE2-SD 4.21Å; F342-M358 HydrophobicContact CG-SD 4.49Å
343G87.4Confident90.3Very high68 Ų6860.8 Ų60.870%0.70132%0.32SS*.THydrogen-bonded Turntrans79.6-19.9-172.100000114.5Y346G343-Y346 PolarHBondContact N-O 3.47Å
344K91Very high89.2Confident129 Ų12959.5 Ų59.556%0.56132%0.318SS*.THydrogen-bonded Turntrans-95.6-60.3175.5-60.6170.2-168.8148.10111.2E261 L340 E341 F342E261-K344 IonicContact OE1-NZ 2.72Å; E261-K344 PolarHBondContact OE1-NZ 2.91Å; L340-K344 PolarHBondContact O-NZ 2.64Å; E341-K344 PolarHBondContact O-N 3.13Å; E341-K344 VanDerWaalsContact O-N 3.16Å; F342-K344 PolarHBondContact O-N 3.25Å
345Q92.5Very high88.5Confident76 Ų7658.1 Ų58.136%0.35532%0.317SS..THydrogen-bonded Turntrans-110.5-18.1-179.5-59.6-173.138.400112.7E341 K360 V361E341-Q345 HydrophobicContact CB-CB 4.25Å; E341-Q345 HydrophobicContact CB-CG 4.46Å; E341-Q345 PolarHBondContact O-N 3.1Å; E341-Q345 WeakPolarHBondContact OE2-CG 3.5Å; E341-Q345 PolarHBondContact OE2-NE2 3.21Å; Q345-K360 CarbonylContact O-C 3.52Å; Q345-K360 VanDerWaalsContact O-CA 3.28Å; Q345-K360 WeakPolarHBondContact O-CA 3.36Å; Q345-K360 WeakPolarHBondContact O-CG 2.95Å; Q345-V361 PolarHBondContact O-N 3.45Å
346Y94.2Very high88.1Confident49 Ų4958.1 Ų58.119%0.19232%0.317CS..EExtended strand (participates in β ladder)trans-120.3145.3-177.6-64.4-83.3000112.1S338 E341 G343 M358 V359 K360S338-Y346 WeakPolarHBondContact O-CD2 3.45Å; E341-Y346 HydrophobicContact CB-CD2 3.7Å; E341-Y346 HydrophobicContact CB-CE2 3.81Å; E341-Y346 PolarHBondContact O-N 2.7Å; G343-Y346 PolarHBondContact N-O 3.47Å; Y346-M358 HydrophobicContact CD1-CE 4.14Å; Y346-M358 HydrophobicContact CD1-CG 4.22Å; Y346-M358 HydrophobicContact CD2-CE 4.45Å; Y346-M358 HydrophobicContact CG-CE 4.05Å; Y346-M358 HydrophobicContact CG-CG 4.23Å; Y346-M358 HydrophobicContact CG-SD 4.44Å; Y346-V359 WeakPolarHBondContact CA-O 3.39Å; Y346-K360 HydrophobicContact CD1-CB 4.15Å; Y346-K360 HydrophobicContact CE1-CB 3.89Å; Y346-K360 HydrophobicContact CE1-CG 4.23Å
347K92.8Very high87.8Confident113 Ų11361 Ų6149%0.49133%0.331SS..EExtended strand (participates in β ladder)trans-138.4160.7170.768.2179.5175.3-177.30110.5V359 V361K347-V359 HydrophobicContact CG-CG2 4.13Å; K347-V359 PolarHBondContact N-O 3.09Å; K347-V359 PolarHBondContact O-N 2.8Å; K347-V361 HydrophobicContact CB-CG2 4.08Å; K347-V361 HydrophobicContact CD-CG2 3.95Å; K347-V361 HydrophobicContact CG-CG2 3.83Å
348L91.9Very high87.9Confident17 Ų1758.4 Ų58.49%0.08932%0.316CS..EExtended strand (participates in β ladder)trans-78.5139.3171.7-61.3-175.1000111L246 L249 L253 V308 F342 V356 H357 M358L246-L348 HydrophobicContact CB-CB 4.43Å; L246-L348 HydrophobicContact CB-CD1 4.48Å; L246-L348 HydrophobicContact CD1-CB 3.87Å; L249-L348 HydrophobicContact CB-CD1 3.54Å; L249-L348 HydrophobicContact CD1-CD1 4.24Å; L253-L348 HydrophobicContact CD1-CD1 4.22Å; L253-L348 HydrophobicContact CD1-CD2 3.71Å; L253-L348 HydrophobicContact CD1-CG 4.32Å; V308-L348 HydrophobicContact CG1-CD2 3.61Å; F342-L348 HydrophobicContact CE2-CD2 4Å; F342-L348 HydrophobicContact CE2-CG 3.92Å; F342-L348 HydrophobicContact CZ-CD1 4.43Å; F342-L348 HydrophobicContact CZ-CD2 4.44Å; F342-L348 HydrophobicContact CZ-CG 3.96Å; L348-V356 HydrophobicContact CB-CG1 4.1Å; L348-V356 HydrophobicContact CD2-CG1 4.3Å; L348-H357 WeakPolarHBondContact CA-O 3.37Å; L348-M358 HydrophobicContact CD2-CB 4.12Å; L348-M358 HydrophobicContact CD2-CG 4.41Å
349K89.9Confident87.7Confident119 Ų11959.7 Ų59.752%0.51732%0.324SS..EExtended strand (participates in β ladder)trans-142.7134.3174-175.2178178.8-173.20109.7H357 V359K349-H357 PolarHBondContact N-O 3.35Å; K349-H357 PolarHBondContact O-N 3.14Å; K349-V359 HydrophobicContact CB-CG1 4.2Å; K349-V359 HydrophobicContact CB-CG2 3.55Å; K349-V359 HydrophobicContact CD-CG2 4.19Å; K349-V359 HydrophobicContact CG-CG2 4.5Å
350E83.1Confident87.5Confident75 Ų7565.7 Ų65.735%0.3535%0.35SS..EExtended strand (participates in β ladder)trans-77.1122167.5-165.4174.2168.200108.8R245 G354 V355R245-E350 IonicContact NE-OE2 3.56Å; E350-G354 WeakPolarHBondContact OE1-CA 3.11Å; E350-V355 WeakPolarHBondContact CA-O 3.39Å
351V81.6Confident87.1Confident92 Ų9266.9 Ų66.956%0.55836%0.358SS*.EExtended strand (participates in β ladder)trans-100-21.5-172.1-164.50000111.5V355 H357V351-V355 PolarHBondContact N-O 3.35Å; V351-H357 HydrophobicContact CG2-CB 3.62Å; V351-H357 WeakPolarHBondContact CG2-CD2 3.36Å
352G71.5Confident86.2Confident36 Ų3668.6 Ų68.637%0.37138%0.378SS..EExtended strand (participates in β ladder)trans151.5157.1175.700000111.7G354 V355G352-G354 PolarHBondContact O-N 3.02Å; G352-G354 VanDerWaalsContact O-N 3.14Å; G352-V355 WeakPolarHBondContact O-CB 3.38Å; G352-V355 PolarHBondContact O-N 3.21Å
353N70.2Confident84.4Confident173 Ų17379.2 Ų79.293%0.92542%0.417SS*.THydrogen-bonded Turntrans5331.9178.7-61.4-13.3000114.6V355N353-V355 PolarHBondContact O-N 3.38Å
354G69.7Low82.3Confident18 Ų1884.5 Ų84.519%0.18642%0.423CS..THydrogen-bonded Turntrans74.72.7-176.200000114.7W188 E350 G352W188-G354 VanDerWaalsContact CZ2-O 3.3Å; W188-G354 WeakPolarHBondContact CZ2-O 3.44Å; E350-G354 WeakPolarHBondContact OE1-CA 3.11Å; G352-G354 PolarHBondContact O-N 3.02Å; G352-G354 VanDerWaalsContact O-N 3.14Å
355V80.2Confident79.9Confident63 Ų6388 Ų8838%0.38246%0.459SS..EExtended strand (participates in β ladder)trans-79.5126179-171.90000110V309 E350 V351 G352 N353 H357V309-V355 HydrophobicContact CG2-CG1 4.21Å; E350-V355 WeakPolarHBondContact CA-O 3.39Å; V351-V355 PolarHBondContact N-O 3.35Å; G352-V355 WeakPolarHBondContact O-CB 3.38Å; G352-V355 PolarHBondContact O-N 3.21Å; N353-V355 PolarHBondContact O-N 3.38Å; V355-H357 WeakPolarHBondContact CG1-NE2 3.37Å
356V87.9Confident79.3Confident0 Ų088.6 Ų88.60%046%0.464CS..EExtended strand (participates in β ladder)trans-104.1128.9178.1-176.70000109.7L186 W188 L246 L249 V308 V309 L348L186-V356 HydrophobicContact CD1-CG2 3.96Å; W188-V356 HydrophobicContact CH2-CB 4.26Å; W188-V356 HydrophobicContact CH2-CG2 3.42Å; W188-V356 VanDerWaalsContact CH2-CG2 3.42Å; W188-V356 HydrophobicContact CZ2-CG2 4.11Å; W188-V356 HydrophobicContact CZ3-CG2 4.27Å; L246-V356 HydrophobicContact CD2-CG1 3.92Å; L246-V356 HydrophobicContact CD2-CG2 3.73Å; L249-V356 HydrophobicContact CD1-CG1 4.32Å; V308-V356 HydrophobicContact CG1-CG1 4.13Å; V308-V356 HydrophobicContact CG2-CB 4.43Å; V308-V356 HydrophobicContact CG2-CG1 4.25Å; V309-V356 PolarHBondContact N-O 2.83Å; L348-V356 HydrophobicContact CB-CG1 4.1Å; L348-V356 HydrophobicContact CD2-CG1 4.3Å
357H91.9Very high78.5Confident60 Ų6090.6 Ų90.628%0.27848%0.479SS..EExtended strand (participates in β ladder)trans-115.4145.7174-73.7-112.5000110.7V309 L348 K349 V351 V355 V359V309-H357 WeakPolarHBondContact CG1-ND1 3.07Å; V309-H357 WeakPolarHBondContact O-CA 3.33Å; L348-H357 WeakPolarHBondContact CA-O 3.37Å; K349-H357 PolarHBondContact N-O 3.35Å; K349-H357 PolarHBondContact O-N 3.14Å; V351-H357 HydrophobicContact CG2-CB 3.62Å; V351-H357 WeakPolarHBondContact CG2-CD2 3.36Å; V355-H357 WeakPolarHBondContact CG1-NE2 3.37Å; H357-V359 HydrophobicContact CB-CG1 3.81Å; H357-V359 PolarHBondContact O-N 2.74Å
358M94.8Very high77.7Confident13 Ų1389.4 Ų89.46%0.06448%0.478CS..EExtended strand (participates in β ladder)trans-79.3114.1159.2-167.7172.38100108.6V309 I310 F342 Y346 L348V309-M358 PolarHBondContact O-N 3.33Å; I310-M358 HydrophobicContact CD1-CB 4.33Å; I310-M358 HydrophobicContact CD1-SD 4.42Å; I310-M358 HydrophobicContact CG2-CE 3.43Å; I310-M358 VanDerWaalsContact CG2-CE 3.43Å; I310-M358 HydrophobicContact CG2-SD 4.13Å; F342-M358 HydrophobicContact CD2-CG 4.11Å; F342-M358 HydrophobicContact CD2-SD 3.59Å; F342-M358 VanDerWaalsContact CD2-SD 3.59Å; F342-M358 HydrophobicContact CE2-CG 4.31Å; F342-M358 HydrophobicContact CE2-SD 4.21Å; F342-M358 HydrophobicContact CG-SD 4.49Å; Y346-M358 HydrophobicContact CD1-CE 4.14Å; Y346-M358 HydrophobicContact CD1-CG 4.22Å; Y346-M358 HydrophobicContact CD2-CE 4.45Å; Y346-M358 HydrophobicContact CG-CE 4.05Å; Y346-M358 HydrophobicContact CG-CG 4.23Å; Y346-M358 HydrophobicContact CG-SD 4.44Å; L348-M358 HydrophobicContact CD2-CB 4.12Å; L348-M358 HydrophobicContact CD2-CG 4.41Å
359V92.9Very high76.9Confident38 Ų3893.6 Ų93.623%0.2350%0.501CS..EExtended strand (participates in β ladder)trans-117143.8-175.3-59.90000110.6Y346 K347 K349 H357 V361Y346-V359 WeakPolarHBondContact CA-O 3.39Å; K347-V359 HydrophobicContact CG-CG2 4.13Å; K347-V359 PolarHBondContact N-O 3.09Å; K347-V359 PolarHBondContact O-N 2.8Å; K349-V359 HydrophobicContact CB-CG1 4.2Å; K349-V359 HydrophobicContact CB-CG2 3.55Å; K349-V359 HydrophobicContact CD-CG2 4.19Å; K349-V359 HydrophobicContact CG-CG2 4.5Å; H357-V359 HydrophobicContact CB-CG1 3.81Å; H357-V359 PolarHBondContact O-N 2.74Å; V359-V361 PolarHBondContact O-N 3.16Å
360K90.9Very high76.1Confident127 Ų12792.1 Ų92.155%0.55250%0.5SS*.EExtended strand (participates in β ladder)trans-66.2129.6174-161.5168.6-172.7167.20109.1Q345 Y346 S362Q345-K360 CarbonylContact O-C 3.52Å; Q345-K360 VanDerWaalsContact O-CA 3.28Å; Q345-K360 WeakPolarHBondContact O-CA 3.36Å; Q345-K360 WeakPolarHBondContact O-CG 2.95Å; Y346-K360 HydrophobicContact CD1-CB 4.15Å; Y346-K360 HydrophobicContact CE1-CB 3.89Å; Y346-K360 HydrophobicContact CE1-CG 4.23Å; K360-S362 PolarHBondContact O-N 3.34Å
361V87.4Confident75.6Confident58 Ų5893.2 Ų93.235%0.35251%0.51SS..  trans-66.2102.9169.6-174.30000105.9Q345 K347 V359 R363Q345-V361 PolarHBondContact O-N 3.45Å; K347-V361 HydrophobicContact CB-CG2 4.08Å; K347-V361 HydrophobicContact CD-CG2 3.95Å; K347-V361 HydrophobicContact CG-CG2 3.83Å; V359-V361 PolarHBondContact O-N 3.16Å; V361-R363 PolarHBondContact O-N 3.3Å
362S74.2Confident75.2Confident100 Ų10093.3 Ų93.370%0.69951%0.506SS*.  trans-56.1117.5164.838.40000106.6K360 Q364K360-S362 PolarHBondContact O-N 3.34Å; S362-Q364 PolarHBondContact O-N 3.39Å
363R57.4Low75.5Confident239 Ų23997.7 Ų97.790%0.90252%0.517SS*.  trans-54114.7160.4-73.1-175.1179.3176.5-0.2104.4V361V361-R363 PolarHBondContact O-N 3.3Å
364Q43.2Very low75.9Confident179 Ų17991.4 Ų91.484%0.83648%0.483SS*.  trans-55.5130.5164-86.1179.1-40.600105.8S362S362-Q364 PolarHBondContact O-N 3.39Å
365P40.7Very low76.5Confident202 Ų20298.1 Ų98.1100%1.31251%0.51SS*.  trans-56.60-177.722.9-32.6000112.4

Retrieved 365 of 365 residues in 530.9 ms (Link to these results)

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