A0A087Y9K3_POEFO Loading...

Tetratricopeptide repeat domain 14

AlphaFold DB , UniProt , Accession A0A087Y9K3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 733 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
1M74.3Confident79.5Confident49 Ų4971.6 Ų71.624%0.24134%0.336CS..  0150.40-61.7177.7-15600109.9L6 F31 Q32 A63 D64 F67M1-L6 HydrophobicContact SD-CD2 4.46Å; M1-F31 HydrophobicContact CE-CD1 4.15Å; M1-F31 HydrophobicContact CE-CD2 4.4Å; M1-F31 HydrophobicContact CE-CE1 3.73Å; M1-F31 HydrophobicContact CE-CE2 4.02Å; M1-F31 HydrophobicContact CE-CG 4.47Å; M1-F31 HydrophobicContact CE-CZ 3.67Å; M1-Q32 HydrophobicContact CE-CB 4.38Å; M1-A63 HydrophobicContact CE-CB 4.5Å; M1-A63 HydrophobicContact SD-CB 4.16Å; M1-D64 HydrophobicContact CE-CB 4.03Å; M1-F67 CarbonylContact C-O 3.29Å; M1-F67 VanDerWaalsContact C-O 3.29Å; M1-F67 WeakPolarHBondContact CA-O 3.45Å; M1-F67 HydrophobicContact CB-CB 3.89Å; M1-F67 HydrophobicContact CG-CB 4.32Å
2D78Confident79.5Confident28 Ų2878.1 Ų78.115%0.1537%0.366CS..  trans-67.8126.4168-166.2-39.6000108.5D4 L5 L6 F67 P69 K72D2-D4 PolarHBondContact OD1-N 3.44Å; D2-L5 HydrophobicContact CB-CD1 4.28Å; D2-L6 WeakPolarHBondContact O-CB 3.26Å; D2-F67 PolarHBondContact N-O 2.96Å; D2-P69 HydrophobicContact CB-CG 4.47Å; D2-K72 IonicContact OD2-NZ 3.35Å; D2-K72 PolarHBondContact OD2-NZ 3.42Å
3R77.2Confident79.3Confident167 Ų16774.6 Ų74.663%0.6335%0.349SS*.Hα-helixtrans-84-32.3-167.3-69.3-178.7175-178.3-2.7112.5R7R3-R7 VanDerWaalsContact O-CB 3.28Å; R3-R7 WeakPolarHBondContact O-CB 3.29Å; R3-R7 PolarHBondContact O-N 3.29Å
4D79.4Confident79.3Confident105 Ų10570.1 Ų70.156%0.56133%0.333SS*.Hα-helixtrans-80.4-38.1-172.4-63.6-43.5000110.9D2 R7 Q8D2-D4 PolarHBondContact OD1-N 3.44Å; D4-R7 PolarHBondContact O-N 3.33Å; D4-Q8 VanDerWaalsContact O-CG 3.32Å; D4-Q8 WeakPolarHBondContact O-CG 3.38Å; D4-Q8 PolarHBondContact O-N 3.09Å
5L79.6Confident79.2Confident73 Ų7372.7 Ų72.738%0.38235%0.345SS..Hα-helixtrans-62.7-47.6170.8-65.5175.5000111.9D2 R7 Q8 C9 F67D2-L5 HydrophobicContact CB-CD1 4.28Å; L5-R7 VanDerWaalsContact C-N 3.28Å; L5-R7 PolarHBondContact O-N 3.26Å; L5-Q8 PolarHBondContact O-N 2.74Å; L5-C9 PolarHBondContact O-N 2.97Å; L5-C9 PolarHBondContact O-SG 3.02Å; L5-F67 HydrophobicContact CB-CD1 3.77Å; L5-F67 HydrophobicContact CB-CE1 4.15Å
6L80.7Confident79.4Confident9 Ų972.9 Ų72.95%0.04735%0.352CS..Hα-helixtrans-60.2-39176.3176.560.6000111.5M1 D2 L10 L21 L38 F67M1-L6 HydrophobicContact SD-CD2 4.46Å; D2-L6 WeakPolarHBondContact O-CB 3.26Å; L6-L10 HydrophobicContact CD1-CD1 4.16Å; L6-L10 HydrophobicContact CD1-CG 4.38Å; L6-L10 HydrophobicContact CG-CD1 4.1Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 2.92Å; L6-L21 HydrophobicContact CD1-CD1 4.11Å; L6-L38 HydrophobicContact CD2-CD1 3.72Å; L6-L38 HydrophobicContact CG-CD1 4.31Å; L6-F67 HydrophobicContact CB-CD1 4.3Å; L6-F67 HydrophobicContact CB-CD2 4.17Å; L6-F67 HydrophobicContact CB-CE2 4.41Å; L6-F67 HydrophobicContact CB-CG 4.13Å; L6-F67 HydrophobicContact CD1-CD2 3.84Å; L6-F67 HydrophobicContact CD1-CE2 3.56Å; L6-F67 HydrophobicContact CD1-CZ 4.12Å; L6-F67 HydrophobicContact CG-CD2 4.49Å
7R79.9Confident79.6Confident140 Ų14068.6 Ų68.653%0.52833%0.332SS..Hα-helixtrans-65.8-40.9175.3-174.6179.9179.7-168.1-0.2112.3R3 D4 L5 L10 V11 L38R3-R7 VanDerWaalsContact O-CB 3.28Å; R3-R7 WeakPolarHBondContact O-CB 3.29Å; R3-R7 PolarHBondContact O-N 3.29Å; D4-R7 PolarHBondContact O-N 3.33Å; L5-R7 VanDerWaalsContact C-N 3.28Å; L5-R7 PolarHBondContact O-N 3.26Å; R7-L10 PolarHBondContact O-N 2.82Å; R7-V11 WeakPolarHBondContact O-CG2 3.44Å; R7-V11 PolarHBondContact O-N 3.45Å; R7-L38 HydrophobicContact CB-CD2 4.15Å
8Q81.3Confident79.8Confident129 Ų12965.6 Ų65.660%0.60332%0.316SS*.Hα-helixtrans-61.6-46.7175.6-73.5169.3700111.4D4 L5 L10 V11 H12D4-Q8 VanDerWaalsContact O-CG 3.32Å; D4-Q8 WeakPolarHBondContact O-CG 3.38Å; D4-Q8 PolarHBondContact O-N 3.09Å; L5-Q8 PolarHBondContact O-N 2.74Å; Q8-L10 VanDerWaalsContact C-N 3.32Å; Q8-L10 PolarHBondContact O-N 3.19Å; Q8-V11 PolarHBondContact O-N 3.08Å; Q8-H12 PolarHBondContact O-N 2.75Å; Q8-H12 VanDerWaalsContact O-N 3.11Å
9C82Confident79.9Confident38 Ų3865.5 Ų65.526%0.25732%0.318SS..Hα-helixtrans-61.7-37.9175.5-65.60000112.8L5 H12 H13 L17 F67L5-C9 PolarHBondContact O-N 2.97Å; L5-C9 PolarHBondContact O-SG 3.02Å; C9-H12 PolarHBondContact O-N 2.61Å; C9-H13 PolarHBondContact O-CD2 3.15Å; C9-H13 PolarHBondContact O-N 2.82Å; C9-L17 HydrophobicContact CB-CD2 4.39Å; C9-F67 HydrophobicContact CB-CE1 4.45Å; C9-F67 HydrophobicContact CB-CZ 4.05Å
10L80.8Confident80.2Confident3 Ų365.1 Ų65.12%0.01631%0.314CS..Hα-helixtrans-70.7-31176-76.7170.3000113.7L6 R7 Q8 H12 G14 L17 F18 L21 L38L6-L10 HydrophobicContact CD1-CD1 4.16Å; L6-L10 HydrophobicContact CD1-CG 4.38Å; L6-L10 HydrophobicContact CG-CD1 4.1Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 2.92Å; R7-L10 PolarHBondContact O-N 2.82Å; Q8-L10 VanDerWaalsContact C-N 3.32Å; Q8-L10 PolarHBondContact O-N 3.19Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-G14 VanDerWaalsContact O-CA 3.31Å; L10-G14 WeakPolarHBondContact O-CA 3.43Å; L10-G14 PolarHBondContact O-N 2.84Å; L10-L17 HydrophobicContact CD2-CB 4.49Å; L10-L17 HydrophobicContact CD2-CD2 4.29Å; L10-L17 HydrophobicContact CD2-CG 4.19Å; L10-F18 HydrophobicContact CD1-CD2 4.43Å; L10-F18 HydrophobicContact CD2-CB 3.83Å; L10-F18 HydrophobicContact CD2-CD2 4.14Å; L10-F18 HydrophobicContact CD2-CG 4.43Å; L10-L21 HydrophobicContact CD2-CD1 3.95Å; L10-L38 HydrophobicContact CD1-CB 4.16Å; L10-L38 HydrophobicContact CD1-CD1 4.35Å; L10-L38 HydrophobicContact CD1-CD2 4.24Å; L10-L38 HydrophobicContact CD1-CG 4.48Å
11V81.8Confident80.3Confident47 Ų4762 Ų6229%0.28530%0.3SS..Hα-helixtrans-68.7-34.7171.8168.90000111.1R7 Q8 A41 D44R7-V11 WeakPolarHBondContact O-CG2 3.44Å; R7-V11 PolarHBondContact O-N 3.45Å; Q8-V11 PolarHBondContact O-N 3.08Å; V11-A41 HydrophobicContact CG2-CB 4.13Å; V11-D44 HydrophobicContact CG1-CB 4.35Å
12H79.4Confident80.6Confident149 Ų14963.8 Ų63.869%0.6931%0.306SS*.Hα-helixtrans-77.3-46.6179.4-171.6-90.9000113.7Q8 C9 L10Q8-H12 PolarHBondContact O-N 2.75Å; Q8-H12 VanDerWaalsContact O-N 3.11Å; C9-H12 PolarHBondContact O-N 2.61Å; L10-H12 VanDerWaalsContact C-N 3.33Å
13H77.1Confident80.8Confident33 Ų3365.6 Ų65.615%0.15332%0.32CS..Hα-helixtrans-92.6-16.1-176.7-68.6-77.9000114.2C9 T16 L17C9-H13 PolarHBondContact O-CD2 3.15Å; C9-H13 PolarHBondContact O-N 2.82Å; H13-T16 PolarHBondContact O-OG1 3.07Å; H13-L17 HydrophobicContact CB-CB 3.68Å; H13-L17 HydrophobicContact CB-CD2 3.77Å; H13-L17 HydrophobicContact CB-CG 4.37Å
14G79.4Confident81Confident11 Ų1158.3 Ų58.311%0.11329%0.293CS..THydrogen-bonded Turntrans69.9-152177.200000115.2L10 T16 F18L10-G14 VanDerWaalsContact O-CA 3.31Å; L10-G14 WeakPolarHBondContact O-CA 3.43Å; L10-G14 PolarHBondContact O-N 2.84Å; G14-T16 PolarHBondContact O-N 3.36Å; G14-F18 PolarHBondContact O-N 3.39Å
15E77.8Confident80.9Confident110 Ų11056.7 Ų56.751%0.51428%0.282SS..Hα-helixtrans-73.5-23-168.6-159.9-177.316200114F18 N19 Y43E15-F18 PolarHBondContact O-N 2.9Å; E15-N19 PolarHBondContact O-N 2.99Å; E15-N19 PolarHBondContact O-ND2 3.18Å; E15-N19 PolarHBondContact OE1-ND2 3.41Å; E15-Y43 HydrophobicContact CB-CE2 4.41Å
16T82.1Confident80.7Confident76 Ų7659 Ų5947%0.46630%0.3SS..Hα-helixtrans-59.4-51.1176.545.40000111.6H13 G14 F18 N19 K20 E56H13-T16 PolarHBondContact O-OG1 3.07Å; G14-T16 PolarHBondContact O-N 3.36Å; T16-F18 VanDerWaalsContact C-N 3.34Å; T16-N19 PolarHBondContact O-N 3.5Å; T16-K20 WeakPolarHBondContact O-CG 3.09Å; T16-K20 PolarHBondContact O-N 3.12Å; T16-K20 VanDerWaalsContact O-N 3.11Å; T16-E56 VanDerWaalsContact CB-OE1 3.29Å; T16-E56 WeakPolarHBondContact CB-OE1 3.26Å; T16-E56 PolarHBondContact OG1-OE1 3.03Å
17L82.8Confident80.4Confident0 Ų064.3 Ų64.30%032%0.324CS..Hα-helixtrans-63.4-40.1173.6176.260.4000111.4C9 L10 H13 N19 K20 L21 E56 I59 A60C9-L17 HydrophobicContact CB-CD2 4.39Å; L10-L17 HydrophobicContact CD2-CB 4.49Å; L10-L17 HydrophobicContact CD2-CD2 4.29Å; L10-L17 HydrophobicContact CD2-CG 4.19Å; H13-L17 HydrophobicContact CB-CB 3.68Å; H13-L17 HydrophobicContact CB-CD2 3.77Å; H13-L17 HydrophobicContact CB-CG 4.37Å; L17-N19 VanDerWaalsContact C-N 3.34Å; L17-N19 PolarHBondContact O-N 2.85Å; L17-K20 PolarHBondContact O-N 2.83Å; L17-L21 HydrophobicContact CD1-CD1 4.23Å; L17-L21 HydrophobicContact CD1-CG 4.27Å; L17-L21 HydrophobicContact CG-CD1 3.98Å; L17-L21 WeakPolarHBondContact O-CG 3.46Å; L17-L21 PolarHBondContact O-N 3.46Å; L17-E56 HydrophobicContact CD1-CB 4.33Å; L17-E56 WeakPolarHBondContact CD1-O 3.47Å; L17-I59 HydrophobicContact CD1-CB 3.97Å; L17-I59 HydrophobicContact CD1-CG2 3.83Å; L17-I59 HydrophobicContact CD2-CG2 4.05Å; L17-A60 HydrophobicContact CD1-CB 4.41Å
18F82.3Confident80Confident13 Ų1360 Ų606%0.05731%0.312CS..Hα-helixtrans-61.6-40.4179.4-172.7-126.6000112.8L10 G14 E15 T16 K22 V34 C39L10-F18 HydrophobicContact CD1-CD2 4.43Å; L10-F18 HydrophobicContact CD2-CB 3.83Å; L10-F18 HydrophobicContact CD2-CD2 4.14Å; L10-F18 HydrophobicContact CD2-CG 4.43Å; G14-F18 PolarHBondContact O-N 3.39Å; E15-F18 PolarHBondContact O-N 2.9Å; T16-F18 VanDerWaalsContact C-N 3.34Å; F18-K22 VanDerWaalsContact CE1-NZ 3.27Å; F18-K22 PolarHBondContact O-N 3.3Å; F18-V34 HydrophobicContact CE2-CG1 3.85Å; F18-C39 WeakPolarHBondContact CZ-SG 3.39Å
19N82.6Confident79.2Confident64 Ų6460.1 Ų60.134%0.34232%0.323SS..Hα-helixtrans-72.9-37176.7-71.7-32.4000112E15 T16 L17 L21 K22 C23E15-N19 PolarHBondContact O-N 2.99Å; E15-N19 PolarHBondContact O-ND2 3.18Å; E15-N19 PolarHBondContact OE1-ND2 3.41Å; T16-N19 PolarHBondContact O-N 3.5Å; L17-N19 VanDerWaalsContact C-N 3.34Å; L17-N19 PolarHBondContact O-N 2.85Å; N19-L21 VanDerWaalsContact C-N 3.34Å; N19-L21 PolarHBondContact O-N 2.87Å; N19-K22 WeakPolarHBondContact O-CB 3.36Å; N19-K22 PolarHBondContact O-N 2.85Å; N19-K22 PolarHBondContact OD1-NZ 3.48Å; N19-C23 PolarHBondContact O-N 3.17Å; N19-C23 VanDerWaalsContact O-N 3.13Å; N19-C23 PolarHBondContact O-SG 3.48Å; N19-C23 VanDerWaalsContact O-SG 3.36Å
20K85.1Confident78.2Confident58 Ų5865.8 Ų65.825%0.25235%0.351SS..Hα-helixtrans-60.4-40.4171.3-73.6171.8176.31750112.7T16 L17 K22 C23 E24 P53 E56 A60T16-K20 WeakPolarHBondContact O-CG 3.09Å; T16-K20 PolarHBondContact O-N 3.12Å; T16-K20 VanDerWaalsContact O-N 3.11Å; L17-K20 PolarHBondContact O-N 2.83Å; K20-K22 VanDerWaalsContact C-N 3.33Å; K20-K22 PolarHBondContact O-N 2.82Å; K20-C23 PolarHBondContact O-N 2.82Å; K20-E24 PolarHBondContact O-N 2.94Å; K20-P53 PolarHBondContact NZ-O 2.93Å; K20-E56 HydrophobicContact CD-CB 3.76Å; K20-E56 WeakPolarHBondContact CE-OE2 3.49Å; K20-E56 IonicContact NZ-OE2 3.55Å; K20-E56 PolarHBondContact NZ-OE2 3Å; K20-A60 HydrophobicContact CB-CB 3.86Å
21L83.3Confident77.5Confident1 Ų166.4 Ų66.41%0.00535%0.354CS..Hα-helixtrans-62-36.3174.6-76.5161.4000112.9L6 L10 L17 N19 Q25 F31 V34 A60 A63L6-L21 HydrophobicContact CD1-CD1 4.11Å; L10-L21 HydrophobicContact CD2-CD1 3.95Å; L17-L21 HydrophobicContact CD1-CD1 4.23Å; L17-L21 HydrophobicContact CD1-CG 4.27Å; L17-L21 HydrophobicContact CG-CD1 3.98Å; L17-L21 WeakPolarHBondContact O-CG 3.46Å; L17-L21 PolarHBondContact O-N 3.46Å; N19-L21 VanDerWaalsContact C-N 3.34Å; N19-L21 PolarHBondContact O-N 2.87Å; L21-Q25 PolarHBondContact O-N 3.47Å; L21-Q25 VanDerWaalsContact O-N 3.1Å; L21-F31 HydrophobicContact CD2-CZ 3.89Å; L21-V34 HydrophobicContact CB-CG2 4.43Å; L21-A60 HydrophobicContact CD2-CB 4.23Å; L21-A60 HydrophobicContact CG-CB 4.25Å; L21-A63 HydrophobicContact CD2-CB 3.61Å
22K80.3Confident76.6Confident86 Ų8670.5 Ų70.537%0.37437%0.37SS..Hα-helixtrans-67.3-41.1173.7-67.8172.3-169156.50112.2F18 N19 K20 Q25 T26F18-K22 VanDerWaalsContact CE1-NZ 3.27Å; F18-K22 PolarHBondContact O-N 3.3Å; N19-K22 WeakPolarHBondContact O-CB 3.36Å; N19-K22 PolarHBondContact O-N 2.85Å; N19-K22 PolarHBondContact OD1-NZ 3.48Å; K20-K22 VanDerWaalsContact C-N 3.33Å; K20-K22 PolarHBondContact O-N 2.82Å; K22-Q25 WeakPolarHBondContact O-CB 3.44Å; K22-Q25 PolarHBondContact O-N 3.45Å; K22-T26 PolarHBondContact O-N 3.4Å; K22-T26 VanDerWaalsContact O-N 3.13Å
23C82.3Confident75.8Confident65 Ų6566.8 Ų66.844%0.43936%0.364SS..Hα-helixtrans-62-47.5176.9-61.50000111.2N19 K20 Q25 T26 E27N19-C23 PolarHBondContact O-N 3.17Å; N19-C23 VanDerWaalsContact O-N 3.13Å; N19-C23 PolarHBondContact O-SG 3.48Å; N19-C23 VanDerWaalsContact O-SG 3.36Å; K20-C23 PolarHBondContact O-N 2.82Å; C23-Q25 VanDerWaalsContact C-N 3.25Å; C23-Q25 PolarHBondContact O-N 2.95Å; C23-T26 WeakPolarHBondContact O-CA 3.23Å; C23-T26 PolarHBondContact O-N 3.19Å; C23-T26 PolarHBondContact O-OG1 3.25Å; C23-E27 PolarHBondContact O-N 2.87Å
24E80.7Confident75.1Confident15 Ų1566.4 Ų66.47%0.0736%0.364CS..Hα-helixtrans-63.1-29.6176.6-70.2-71.7155.600112.7K20 T26 E27 N28 A60 R61K20-E24 PolarHBondContact O-N 2.94Å; E24-T26 VanDerWaalsContact C-N 3.34Å; E24-E27 PolarHBondContact O-N 3.04Å; E24-N28 WeakPolarHBondContact O-CB 3.41Å; E24-N28 PolarHBondContact O-N 3.5Å; E24-N28 PolarHBondContact O-ND2 3.03Å; E24-N28 PolarHBondContact OE2-ND2 3.05Å; E24-A60 HydrophobicContact CG-CB 3.94Å; E24-R61 HydrophobicContact CG-CG 4.15Å; E24-R61 WeakPolarHBondContact OE1-CG 3.33Å; E24-R61 IonicContact OE1-CZ 3.46Å; E24-R61 IonicContact OE1-NE 3.97Å; E24-R61 PolarHBondContact OE1-NE 3.47Å; E24-R61 IonicContact OE1-NH2 2.73Å; E24-R61 PolarHBondContact OE1-NH2 3.04Å; E24-R61 WeakPolarHBondContact OE2-CG 3.38Å
25Q77.6Confident74.3Confident71 Ų7168.4 Ų68.433%0.33238%0.375SS..Hα-helixtrans-68.3-29.3170.1-173-174.4-34.100112.8L21 K22 C23 F31L21-Q25 PolarHBondContact O-N 3.47Å; L21-Q25 VanDerWaalsContact O-N 3.1Å; K22-Q25 WeakPolarHBondContact O-CB 3.44Å; K22-Q25 PolarHBondContact O-N 3.45Å; C23-Q25 VanDerWaalsContact C-N 3.25Å; C23-Q25 PolarHBondContact O-N 2.95Å; Q25-F31 HydrophobicContact CB-CD1 3.85Å; Q25-F31 HydrophobicContact CB-CE1 4.33Å; Q25-F31 HydrophobicContact CB-CG 4.5Å; Q25-F31 HydrophobicContact CG-CD1 4.06Å
26T74.8Confident73.4Confident122 Ų12268.4 Ų68.475%0.74838%0.382SS*.Hα-helixtrans-81.1-25.3172.854.80000113.5K22 C23 E24K22-T26 PolarHBondContact O-N 3.4Å; K22-T26 VanDerWaalsContact O-N 3.13Å; C23-T26 WeakPolarHBondContact O-CA 3.23Å; C23-T26 PolarHBondContact O-N 3.19Å; C23-T26 PolarHBondContact O-OG1 3.25Å; E24-T26 VanDerWaalsContact C-N 3.34Å
27E75.7Confident72.2Confident120 Ų12069.3 Ų69.356%0.56138%0.384SS*.Hα-helixtrans-85.5-33178.6-70.1177.3-151.700113.1C23 E24 R61C23-E27 PolarHBondContact O-N 2.87Å; E24-E27 PolarHBondContact O-N 3.04Å; E27-R61 IonicContact OE2-NH2 2.69Å
28N71.2Confident71.1Confident50 Ų5070.3 Ų70.327%0.26739%0.389SS..  trans-116108.6-175-57.5-91.8000111.8E24 D30 F31E24-N28 WeakPolarHBondContact O-CB 3.41Å; E24-N28 PolarHBondContact O-N 3.5Å; E24-N28 PolarHBondContact O-ND2 3.03Å; E24-N28 PolarHBondContact OE2-ND2 3.05Å; N28-D30 VanDerWaalsContact C-N 3.27Å; N28-D30 PolarHBondContact O-N 3.14Å; N28-F31 HydrophobicContact CB-CB 4.15Å; N28-F31 WeakPolarHBondContact O-CB 3.4Å; N28-F31 PolarHBondContact O-N 2.87Å; N28-F31 VanDerWaalsContact O-N 3.1Å
29P64.1Low69.8Low130 Ų13072.9 Ų72.984%0.84441%0.408SS*.THydrogen-bonded Turntrans-69-20.2-177.228-35.5000114.4F31P29-F31 PolarHBondContact O-N 3.04Å
30D60.9Low68.4Low158 Ų15877 Ų7785%0.84542%0.423SS*.THydrogen-bonded Turntrans-78-6.8174.7-66.3-41.1000113.2N28 Q32N28-D30 VanDerWaalsContact C-N 3.27Å; N28-D30 PolarHBondContact O-N 3.14Å; D30-Q32 PolarHBondContact O-N 2.74Å
31F65.5Low67Low16 Ų1674.8 Ų74.87%0.0742%0.415CS..SBendtrans-75.7114.2-176.4-163-82.7000111.2M1 L21 Q25 N28 P29 A33 V34 A63M1-F31 HydrophobicContact CE-CD1 4.15Å; M1-F31 HydrophobicContact CE-CD2 4.4Å; M1-F31 HydrophobicContact CE-CE1 3.73Å; M1-F31 HydrophobicContact CE-CE2 4.02Å; M1-F31 HydrophobicContact CE-CG 4.47Å; M1-F31 HydrophobicContact CE-CZ 3.67Å; L21-F31 HydrophobicContact CD2-CZ 3.89Å; Q25-F31 HydrophobicContact CB-CD1 3.85Å; Q25-F31 HydrophobicContact CB-CE1 4.33Å; Q25-F31 HydrophobicContact CB-CG 4.5Å; Q25-F31 HydrophobicContact CG-CD1 4.06Å; N28-F31 HydrophobicContact CB-CB 4.15Å; N28-F31 WeakPolarHBondContact O-CB 3.4Å; N28-F31 PolarHBondContact O-N 2.87Å; N28-F31 VanDerWaalsContact O-N 3.1Å; P29-F31 PolarHBondContact O-N 3.04Å; F31-A33 PolarHBondContact O-N 3.36Å; F31-V34 HydrophobicContact CE1-CG2 3.86Å; F31-A63 HydrophobicContact CE2-CB 4.04Å; F31-A63 HydrophobicContact CZ-CB 3.9Å
32Q64.1Low65.6Low133 Ų13380.4 Ų80.462%0.62145%0.45SS*.PPolyproline II helixtrans-59.7127.2178.2-68.4-175.2-17.500110.9M1 D30 V34M1-Q32 HydrophobicContact CE-CB 4.38Å; D30-Q32 PolarHBondContact O-N 2.74Å; Q32-V34 PolarHBondContact O-N 3.18Å
33A62.2Low64.6Low70 Ų7080.6 Ų80.658%0.57945%0.449SS*.PPolyproline II helixtrans-53.9131.5-173.100000113.3F31 V35F31-A33 PolarHBondContact O-N 3.36Å; A33-V35 PolarHBondContact O-N 2.82Å
34V62.3Low63.1Low25 Ų2581.8 Ų81.815%0.15245%0.451CS..PPolyproline II helixtrans-67.7122.2178.8-173.60000109.3F18 L21 F31 Q32 T36 L38F18-V34 HydrophobicContact CE2-CG1 3.85Å; L21-V34 HydrophobicContact CB-CG2 4.43Å; F31-V34 HydrophobicContact CE1-CG2 3.86Å; Q32-V34 PolarHBondContact O-N 3.18Å; V34-T36 PolarHBondContact O-N 3.12Å; V34-L38 HydrophobicContact CG1-CD1 3.68Å
35V63.2Low61.7Low54 Ų5484.9 Ų84.933%0.32749%0.486SS..PPolyproline II helixtrans-67.8128.4-174.3-176.20000110.4A33 D37 L38A33-V35 PolarHBondContact O-N 2.82Å; V35-D37 HydrophobicContact CG1-CB 4.33Å; V35-D37 PolarHBondContact O-N 3.02Å; V35-D37 VanDerWaalsContact O-N 3.09Å; V35-L38 HydrophobicContact CB-CD1 4.49Å; V35-L38 VanDerWaalsContact O-CB 3.32Å; V35-L38 WeakPolarHBondContact O-CB 3.36Å; V35-L38 WeakPolarHBondContact O-CG 3.34Å; V35-L38 PolarHBondContact O-N 3.02Å
36T57.7Low60.2Low109 Ų10991.7 Ų91.767%0.66951%0.509SS*.G310 helixtrans-62.9-16.9-174.647.60000114.9V34 L38 C39V34-T36 PolarHBondContact O-N 3.12Å; T36-L38 PolarHBondContact O-N 2.72Å; T36-C39 VanDerWaalsContact O-CB 3.28Å; T36-C39 WeakPolarHBondContact O-CB 3.31Å; T36-C39 PolarHBondContact O-N 3.39Å; T36-C39 PolarHBondContact O-SG 2.84Å
37D58.8Low58.8Low95 Ų9589 Ų8951%0.50851%0.506SS..G310 helixtrans-69.6-18.6171.3-70.7-55.4000113.6V35 C39 K40V35-D37 HydrophobicContact CG1-CB 4.33Å; V35-D37 PolarHBondContact O-N 3.02Å; V35-D37 VanDerWaalsContact O-N 3.09Å; D37-C39 PolarHBondContact O-N 2.71Å; D37-K40 WeakPolarHBondContact O-CB 3.48Å; D37-K40 PolarHBondContact O-N 3.47Å; D37-K40 VanDerWaalsContact O-N 3.16Å; D37-K40 WeakPolarHBondContact OD1-CE 3.24Å; D37-K40 IonicContact OD1-NZ 3.72Å; D37-K40 PolarHBondContact OD1-NZ 3.4Å
38L59.1Low57.6Low22 Ų2291.1 Ų91.112%0.11552%0.521CS..G310 helixtrans-66-23.7173.3-67.3165.1000112.1L6 R7 L10 V34 V35 T36 K40 A41L6-L38 HydrophobicContact CD2-CD1 3.72Å; L6-L38 HydrophobicContact CG-CD1 4.31Å; R7-L38 HydrophobicContact CB-CD2 4.15Å; L10-L38 HydrophobicContact CD1-CB 4.16Å; L10-L38 HydrophobicContact CD1-CD1 4.35Å; L10-L38 HydrophobicContact CD1-CD2 4.24Å; L10-L38 HydrophobicContact CD1-CG 4.48Å; V34-L38 HydrophobicContact CG1-CD1 3.68Å; V35-L38 HydrophobicContact CB-CD1 4.49Å; V35-L38 VanDerWaalsContact O-CB 3.32Å; V35-L38 WeakPolarHBondContact O-CB 3.36Å; V35-L38 WeakPolarHBondContact O-CG 3.34Å; V35-L38 PolarHBondContact O-N 3.02Å; T36-L38 PolarHBondContact O-N 2.72Å; L38-K40 PolarHBondContact O-N 3.14Å; L38-K40 VanDerWaalsContact O-N 3.08Å; L38-A41 PolarHBondContact O-N 3.19Å
39C53.9Low56.8Low66 Ų6697.4 Ų97.445%0.44655%0.549SS..G310 helixtrans-61.2-13.3172.3-55.80000114F18 T36 D37F18-C39 WeakPolarHBondContact CZ-SG 3.39Å; T36-C39 VanDerWaalsContact O-CB 3.28Å; T36-C39 WeakPolarHBondContact O-CB 3.31Å; T36-C39 PolarHBondContact O-N 3.39Å; T36-C39 PolarHBondContact O-SG 2.84Å; D37-C39 PolarHBondContact O-N 2.71Å
40K54.7Low56.4Low152 Ų152100.1 Ų100.166%0.66155%0.55SS*.G310 helixtrans-98.36.9-174.1-58.4170.9-178167.40113D37 L38 T42D37-K40 WeakPolarHBondContact O-CB 3.48Å; D37-K40 PolarHBondContact O-N 3.47Å; D37-K40 VanDerWaalsContact O-N 3.16Å; D37-K40 WeakPolarHBondContact OD1-CE 3.24Å; D37-K40 IonicContact OD1-NZ 3.72Å; D37-K40 PolarHBondContact OD1-NZ 3.4Å; L38-K40 PolarHBondContact O-N 3.14Å; L38-K40 VanDerWaalsContact O-N 3.08Å; K40-T42 PolarHBondContact O-N 2.9Å
41A55.3Low56.3Low10 Ų1094.9 Ų94.98%0.08353%0.528CS..  trans-69.7126.7173.600000110.2V11 L38 Y43V11-A41 HydrophobicContact CG2-CB 4.13Å; L38-A41 PolarHBondContact O-N 3.19Å; A41-Y43 PolarHBondContact O-N 2.92Å
42T53.7Low56.8Low119 Ų11996.5 Ų96.573%0.7354%0.542SS*.  trans-69.6114.916845.60000108.8K40 D44K40-T42 PolarHBondContact O-N 2.9Å; T42-D44 PolarHBondContact O-N 2.96Å
43Y58Low57.6Low91 Ų9194.3 Ų94.336%0.35754%0.539SS..  trans-73110.4177-53.8-60.3000109.8E15 A41 G45E15-Y43 HydrophobicContact CB-CE2 4.41Å; A41-Y43 PolarHBondContact O-N 2.92Å; Y43-G45 PolarHBondContact O-N 2.98Å
44D51.7Low58.7Low89 Ų8997 Ų9748%0.47654%0.543SS..  trans-79.189.4178.5-14650.9000107.6V11 T42 R46V11-D44 HydrophobicContact CG1-CB 4.35Å; T42-D44 PolarHBondContact O-N 2.96Å; D44-R46 PolarHBondContact O-N 3.42Å; D44-R46 IonicContact OD2-CZ 3.34Å; D44-R46 IonicContact OD2-NE 3.59Å; D44-R46 PolarHBondContact OD2-NE 3.47Å; D44-R46 IonicContact OD2-NH2 2.71Å; D44-R46 PolarHBondContact OD2-NH2 3.48Å
45G52.2Low59.8Low80 Ų8099 Ų9983%0.82556%0.555SS**  trans-68.367.2-173.600000114.2Y43Y43-G45 PolarHBondContact O-N 2.98Å
46R46.2Very low60.9Low214 Ų21496.9 Ų96.981%0.80854%0.542SS*.  trans-81.7111.6169.3-59.7-175.1-171.5-138.2-2.7107.7D44D44-R46 PolarHBondContact O-N 3.42Å; D44-R46 IonicContact OD2-CZ 3.34Å; D44-R46 IonicContact OD2-NE 3.59Å; D44-R46 PolarHBondContact OD2-NE 3.47Å; D44-R46 IonicContact OD2-NH2 2.71Å; D44-R46 PolarHBondContact OD2-NH2 3.48Å
47G45.3Very low62.2Low66 Ų6695.3 Ų95.368%0.6853%0.527SS*.  trans-82.7178.4-16900000115.4E49G47-E49 PolarHBondContact O-N 2.66Å
48D48.8Very low63.6Low164 Ų16495.3 Ų95.388%0.87752%0.523SS*.  trans60.227.2157.3-62-5.5000119.2
49E55.4Low64.9Low182 Ų18295.2 Ų95.285%0.8552%0.522SS*.SBendtrans-110.1125.9139-71.7-166.3174.400109.7G47 A51G47-E49 PolarHBondContact O-N 2.66Å; E49-A51 PolarHBondContact O-N 2.95Å
50H55.6Low66.4Low187 Ų18792.1 Ų92.187%0.86650%0.501SS*.  trans-69.691.2178.8-68.2-28.8000110.4S52H50-S52 PolarHBondContact O-N 3.36Å
51A58.2Low67.8Low48 Ų4889.9 Ų89.940%0.39749%0.488SS..  trans-52.7102.5169.600000109.4E49E49-A51 PolarHBondContact O-N 2.95Å
52S77.1Confident69.2Low51 Ų5191 Ų9136%0.35749%0.491SS..  trans-65.4133.4-165.771.60000110H50 L54 V55 E56H50-S52 PolarHBondContact O-N 3.36Å; S52-L54 PolarHBondContact O-N 2.87Å; S52-V55 PolarHBondContact O-N 3.39Å; S52-V55 VanDerWaalsContact OG-CG2 3.25Å; S52-V55 WeakPolarHBondContact OG-CG2 3.3Å; S52-V55 PolarHBondContact OG-N 3.41Å; S52-E56 PolarHBondContact O-N 3.33Å
53P81.4Confident70.6Confident87 Ų8785.3 Ų85.357%0.56546%0.457SS*.Hα-helixtrans-62.8-22.8-171.923.3-33.7000112.2K20 Q57K20-P53 PolarHBondContact NZ-O 2.93Å; P53-Q57 VanDerWaalsContact O-CB 3.28Å; P53-Q57 WeakPolarHBondContact O-CB 3.42Å; P53-Q57 PolarHBondContact O-N 3.06Å
54L84.6Confident71.6Confident125 Ų12583.5 Ų83.565%0.65445%0.453SS*.Hα-helixtrans-66.6-43.5171.5-63.2173.4000112.9S52 Q57 F58S52-L54 PolarHBondContact O-N 2.87Å; L54-Q57 PolarHBondContact O-N 3.38Å; L54-F58 WeakPolarHBondContact O-CB 3.45Å; L54-F58 PolarHBondContact O-N 3.06Å
55V85.1Confident72.8Confident67 Ų6779.9 Ų79.941%0.40643%0.434SS..Hα-helixtrans-65.7-44.7176.6164.80000110.2S52 Q57 F58 I59S52-V55 PolarHBondContact O-N 3.39Å; S52-V55 VanDerWaalsContact OG-CG2 3.25Å; S52-V55 WeakPolarHBondContact OG-CG2 3.3Å; S52-V55 PolarHBondContact OG-N 3.41Å; V55-Q57 VanDerWaalsContact C-N 3.32Å; V55-Q57 PolarHBondContact O-N 3.41Å; V55-F58 PolarHBondContact O-N 2.87Å; V55-I59 HydrophobicContact CG1-CD1 3.78Å; V55-I59 HydrophobicContact CG1-CG1 4.44Å; V55-I59 VanDerWaalsContact O-CG1 3.26Å; V55-I59 WeakPolarHBondContact O-CG1 3.42Å; V55-I59 PolarHBondContact O-N 3.3Å
56E85.4Confident74.2Confident11 Ų1178.5 Ų78.55%0.05141%0.407CS..Hα-helixtrans-61.2-40.9174.8-58.8-178.514700112.4T16 L17 K20 S52 I59 A60T16-E56 VanDerWaalsContact CB-OE1 3.29Å; T16-E56 WeakPolarHBondContact CB-OE1 3.26Å; T16-E56 PolarHBondContact OG1-OE1 3.03Å; L17-E56 HydrophobicContact CD1-CB 4.33Å; L17-E56 WeakPolarHBondContact CD1-O 3.47Å; K20-E56 HydrophobicContact CD-CB 3.76Å; K20-E56 WeakPolarHBondContact CE-OE2 3.49Å; K20-E56 IonicContact NZ-OE2 3.55Å; K20-E56 PolarHBondContact NZ-OE2 3Å; S52-E56 PolarHBondContact O-N 3.33Å; E56-I59 PolarHBondContact O-N 2.96Å; E56-A60 WeakPolarHBondContact O-CB 3.42Å; E56-A60 PolarHBondContact O-N 3.5Å
57Q86.6Confident75.8Confident75 Ų7568.9 Ų68.935%0.3537%0.371SS..Hα-helixtrans-67.7-38177.8-172.1-179.224.400111.5P53 L54 V55 A60 R61P53-Q57 VanDerWaalsContact O-CB 3.28Å; P53-Q57 WeakPolarHBondContact O-CB 3.42Å; P53-Q57 PolarHBondContact O-N 3.06Å; L54-Q57 PolarHBondContact O-N 3.38Å; V55-Q57 VanDerWaalsContact C-N 3.32Å; V55-Q57 PolarHBondContact O-N 3.41Å; Q57-A60 PolarHBondContact O-N 2.9Å; Q57-R61 VanDerWaalsContact O-CB 3.28Å; Q57-R61 WeakPolarHBondContact O-CB 3.32Å; Q57-R61 VanDerWaalsContact O-CG 3.32Å; Q57-R61 WeakPolarHBondContact O-CG 3.41Å; Q57-R61 PolarHBondContact O-N 2.84Å
58F86.7Confident77.2Confident96 Ų9667.3 Ų67.342%0.42135%0.349SS..Hα-helixtrans-63.3-46.2172.7176.6-91.8000111.4L54 V55 A60 R61 K62 M272L54-F58 WeakPolarHBondContact O-CB 3.45Å; L54-F58 PolarHBondContact O-N 3.06Å; V55-F58 PolarHBondContact O-N 2.87Å; F58-A60 PolarHBondContact O-N 2.9Å; F58-R61 PolarHBondContact O-N 2.97Å; F58-K62 HydrophobicContact CD2-CG 4.27Å; F58-K62 HydrophobicContact CE1-CG 4.45Å; F58-K62 HydrophobicContact CE2-CG 4.14Å; F58-K62 HydrophobicContact CZ-CG 4.24Å; F58-K62 VanDerWaalsContact O-CB 3.28Å; F58-K62 WeakPolarHBondContact O-CB 3.34Å; F58-K62 WeakPolarHBondContact O-CG 3.44Å; F58-K62 PolarHBondContact O-N 3.32Å; F58-K62 VanDerWaalsContact O-N 3.11Å; F58-M272 HydrophobicContact CE1-CE 4.01Å; F58-M272 HydrophobicContact CZ-CB 4.47Å; F58-M272 HydrophobicContact CZ-CE 3.63Å; F58-M272 HydrophobicContact CZ-CG 4.15Å; F58-M272 HydrophobicContact CZ-SD 4.1Å
59I86.9Confident78.2Confident19 Ų1963.1 Ų63.110%0.09733%0.331CS..Hα-helixtrans-59.8-47.5176.7-65.9163.1000110.1L17 V55 E56 R61 K62 A63 L66 F67L17-I59 HydrophobicContact CD1-CB 3.97Å; L17-I59 HydrophobicContact CD1-CG2 3.83Å; L17-I59 HydrophobicContact CD2-CG2 4.05Å; V55-I59 HydrophobicContact CG1-CD1 3.78Å; V55-I59 HydrophobicContact CG1-CG1 4.44Å; V55-I59 VanDerWaalsContact O-CG1 3.26Å; V55-I59 WeakPolarHBondContact O-CG1 3.42Å; V55-I59 PolarHBondContact O-N 3.3Å; E56-I59 PolarHBondContact O-N 2.96Å; I59-R61 PolarHBondContact O-N 3.47Å; I59-K62 CarbonylContact O-C 3.53Å; I59-K62 PolarHBondContact O-N 3.12Å; I59-A63 WeakPolarHBondContact O-CA 3.41Å; I59-A63 WeakPolarHBondContact O-CB 3.47Å; I59-A63 PolarHBondContact O-N 3Å; I59-L66 HydrophobicContact CB-CD1 4.27Å; I59-L66 HydrophobicContact CG1-CD1 4.3Å; I59-L66 HydrophobicContact CG2-CD1 4.18Å; I59-F67 HydrophobicContact CG2-CE2 4.11Å; I59-F67 HydrophobicContact CG2-CZ 4.13Å
60A85.4Confident78.6Confident1 Ų158.6 Ų58.61%0.00833%0.325CS..Hα-helixtrans-59-49.1177.300000112.1L17 K20 L21 E24 E56 Q57 F58 K62 A63L17-A60 HydrophobicContact CD1-CB 4.41Å; K20-A60 HydrophobicContact CB-CB 3.86Å; L21-A60 HydrophobicContact CD2-CB 4.23Å; L21-A60 HydrophobicContact CG-CB 4.25Å; E24-A60 HydrophobicContact CG-CB 3.94Å; E56-A60 WeakPolarHBondContact O-CB 3.42Å; E56-A60 PolarHBondContact O-N 3.5Å; Q57-A60 PolarHBondContact O-N 2.9Å; F58-A60 PolarHBondContact O-N 2.9Å; A60-K62 PolarHBondContact O-N 3.19Å; A60-K62 VanDerWaalsContact O-N 3.11Å; A60-A63 PolarHBondContact O-N 2.71Å
61R84.8Confident78.8Confident105 Ų10553.5 Ų53.540%0.39630%0.298SS..Hα-helixtrans-64.5-12.2178.9-79.6179.2171.9-167.4-11.8115.5E24 E27 Q57 F58 I59 R274E24-R61 HydrophobicContact CG-CG 4.15Å; E24-R61 WeakPolarHBondContact OE1-CG 3.33Å; E24-R61 IonicContact OE1-CZ 3.46Å; E24-R61 IonicContact OE1-NE 3.97Å; E24-R61 PolarHBondContact OE1-NE 3.47Å; E24-R61 IonicContact OE1-NH2 2.73Å; E24-R61 PolarHBondContact OE1-NH2 3.04Å; E24-R61 WeakPolarHBondContact OE2-CG 3.38Å; E27-R61 IonicContact OE2-NH2 2.69Å; Q57-R61 VanDerWaalsContact O-CB 3.28Å; Q57-R61 WeakPolarHBondContact O-CB 3.32Å; Q57-R61 VanDerWaalsContact O-CG 3.32Å; Q57-R61 WeakPolarHBondContact O-CG 3.41Å; Q57-R61 PolarHBondContact O-N 2.84Å; F58-R61 PolarHBondContact O-N 2.97Å; I59-R61 PolarHBondContact O-N 3.47Å; R61-R274 PolarHBondContact O-NH2 3.4Å
62K83.8Confident78.7Confident34 Ų3457.6 Ų57.615%0.14831%0.307CS..Hα-helixtrans-129.64.3-173.1-58.6-66.8176.7175.90113.6F58 I59 A60 D64 I65 L66 M272F58-K62 HydrophobicContact CD2-CG 4.27Å; F58-K62 HydrophobicContact CE1-CG 4.45Å; F58-K62 HydrophobicContact CE2-CG 4.14Å; F58-K62 HydrophobicContact CZ-CG 4.24Å; F58-K62 VanDerWaalsContact O-CB 3.28Å; F58-K62 WeakPolarHBondContact O-CB 3.34Å; F58-K62 WeakPolarHBondContact O-CG 3.44Å; F58-K62 PolarHBondContact O-N 3.32Å; F58-K62 VanDerWaalsContact O-N 3.11Å; I59-K62 CarbonylContact O-C 3.53Å; I59-K62 PolarHBondContact O-N 3.12Å; A60-K62 PolarHBondContact O-N 3.19Å; A60-K62 VanDerWaalsContact O-N 3.11Å; K62-D64 PolarHBondContact O-N 2.84Å; K62-I65 HydrophobicContact CD-CD1 3.85Å; K62-I65 CarbonylContact O-C 3.58Å; K62-I65 PolarHBondContact O-N 3.27Å; K62-L66 HydrophobicContact CB-CD1 3.74Å; K62-L66 HydrophobicContact CB-CG 3.85Å; K62-L66 WeakPolarHBondContact O-CB 3.35Å; K62-L66 WeakPolarHBondContact O-CG 3.42Å; K62-L66 PolarHBondContact O-N 3.01Å; K62-M272 HydrophobicContact CB-CE 3.75Å; K62-M272 HydrophobicContact CD-CE 4.03Å; K62-M272 WeakPolarHBondContact CE-O 3.26Å; K62-M272 HydrophobicContact CG-CE 3.81Å; K62-M272 PolarHBondContact NZ-O 3.49Å
63A83.4Confident77.5Confident0 Ų058.9 Ų58.90%031%0.313CS..Hα-helixtrans-57.5-33.9-173.500000113.5M1 L21 F31 I59 A60 I65 F67M1-A63 HydrophobicContact CE-CB 4.5Å; M1-A63 HydrophobicContact SD-CB 4.16Å; L21-A63 HydrophobicContact CD2-CB 3.61Å; F31-A63 HydrophobicContact CE2-CB 4.04Å; F31-A63 HydrophobicContact CZ-CB 3.9Å; I59-A63 WeakPolarHBondContact O-CA 3.41Å; I59-A63 WeakPolarHBondContact O-CB 3.47Å; I59-A63 PolarHBondContact O-N 3Å; A60-A63 PolarHBondContact O-N 2.71Å; A63-I65 VanDerWaalsContact C-N 3.27Å; A63-I65 PolarHBondContact O-N 2.76Å; A63-F67 HydrophobicContact CB-CD2 3.8Å; A63-F67 HydrophobicContact CB-CE2 3.93Å; A63-F67 WeakPolarHBondContact O-CB 3.46Å; A63-F67 VanDerWaalsContact O-CD2 3.26Å; A63-F67 WeakPolarHBondContact O-CD2 3.5Å; A63-F67 PolarHBondContact O-N 3.46Å
64D78.2Confident76Confident53 Ų5358.3 Ų58.328%0.28332%0.316SS..Hα-helixtrans-63.8-28.2174.564.9-49.5000114M1 K62 R274M1-D64 HydrophobicContact CE-CB 4.03Å; K62-D64 PolarHBondContact O-N 2.84Å; D64-R274 IonicContact OD1-CZ 3.93Å; D64-R274 IonicContact OD1-NH1 2.8Å; D64-R274 IonicContact OD1-NH2 3.74Å; D64-R274 PolarHBondContact OD1-NH2 3.47Å; D64-R274 IonicContact OD2-CZ 2.71Å; D64-R274 IonicContact OD2-NH1 2.67Å; D64-R274 PolarHBondContact OD2-NH1 2.83Å; D64-R274 IonicContact OD2-NH2 3.59Å; D64-R274 PolarHBondContact OD2-NH2 3.46Å
65I78.6Confident74.4Confident13 Ų1359.4 Ų59.47%0.06732%0.322CS..Hα-helixtrans-96.4-51.4176.9-6.6179.7000111.1K62 A63 F67 C68 W71 R274K62-I65 HydrophobicContact CD-CD1 3.85Å; K62-I65 CarbonylContact O-C 3.58Å; K62-I65 PolarHBondContact O-N 3.27Å; A63-I65 VanDerWaalsContact C-N 3.27Å; A63-I65 PolarHBondContact O-N 2.76Å; I65-F67 VanDerWaalsContact C-N 3.28Å; I65-F67 PolarHBondContact O-N 2.97Å; I65-C68 WeakPolarHBondContact O-CB 3.38Å; I65-C68 PolarHBondContact O-N 3.26Å; I65-W71 HydrophobicContact CB-CH2 3.91Å; I65-W71 HydrophobicContact CB-CZ2 3.76Å; I65-W71 HydrophobicContact CG2-CD2 4.42Å; I65-W71 HydrophobicContact CG2-CH2 4Å; I65-W71 HydrophobicContact CG2-CZ2 3.31Å; I65-W71 VanDerWaalsContact O-CD2 3.23Å; I65-R274 HydrophobicContact CD1-CG 4.32Å
66L80.1Confident72.8Confident50 Ų5061.1 Ų61.126%0.26233%0.334SS..Hα-helixtrans-50.8-45.3176.8-73.6170.5000112.6I59 K62 W71 M272I59-L66 HydrophobicContact CB-CD1 4.27Å; I59-L66 HydrophobicContact CG1-CD1 4.3Å; I59-L66 HydrophobicContact CG2-CD1 4.18Å; K62-L66 HydrophobicContact CB-CD1 3.74Å; K62-L66 HydrophobicContact CB-CG 3.85Å; K62-L66 WeakPolarHBondContact O-CB 3.35Å; K62-L66 WeakPolarHBondContact O-CG 3.42Å; K62-L66 PolarHBondContact O-N 3.01Å; L66-W71 HydrophobicContact CD2-CZ3 4.22Å; L66-M272 HydrophobicContact CD2-CE 3.71Å; L66-M272 HydrophobicContact CD2-SD 4.04Å; L66-M272 HydrophobicContact CG-CE 3.98Å
67F79.6Confident71.2Confident12 Ų1263 Ų635%0.05335%0.348CS..THydrogen-bonded Turntrans-101.629.7179.8-48.7-63.4000111.2M1 D2 L5 L6 C9 I59 A63 I65 P69M1-F67 CarbonylContact C-O 3.29Å; M1-F67 VanDerWaalsContact C-O 3.29Å; M1-F67 WeakPolarHBondContact CA-O 3.45Å; M1-F67 HydrophobicContact CB-CB 3.89Å; M1-F67 HydrophobicContact CG-CB 4.32Å; D2-F67 PolarHBondContact N-O 2.96Å; L5-F67 HydrophobicContact CB-CD1 3.77Å; L5-F67 HydrophobicContact CB-CE1 4.15Å; L6-F67 HydrophobicContact CB-CD1 4.3Å; L6-F67 HydrophobicContact CB-CD2 4.17Å; L6-F67 HydrophobicContact CB-CE2 4.41Å; L6-F67 HydrophobicContact CB-CG 4.13Å; L6-F67 HydrophobicContact CD1-CD2 3.84Å; L6-F67 HydrophobicContact CD1-CE2 3.56Å; L6-F67 HydrophobicContact CD1-CZ 4.12Å; L6-F67 HydrophobicContact CG-CD2 4.49Å; C9-F67 HydrophobicContact CB-CE1 4.45Å; C9-F67 HydrophobicContact CB-CZ 4.05Å; I59-F67 HydrophobicContact CG2-CE2 4.11Å; I59-F67 HydrophobicContact CG2-CZ 4.13Å; A63-F67 HydrophobicContact CB-CD2 3.8Å; A63-F67 HydrophobicContact CB-CE2 3.93Å; A63-F67 WeakPolarHBondContact O-CB 3.46Å; A63-F67 VanDerWaalsContact O-CD2 3.26Å; A63-F67 WeakPolarHBondContact O-CD2 3.5Å; A63-F67 PolarHBondContact O-N 3.46Å; I65-F67 VanDerWaalsContact C-N 3.28Å; I65-F67 PolarHBondContact O-N 2.97Å; F67-P69 WeakPolarHBondContact O-CD 3.42Å
68C76Confident69.5Low33 Ų3363.8 Ų63.822%0.22336%0.359CS..  trans-76.5124.8173.6-1740000110.4I65 A70 W71I65-C68 WeakPolarHBondContact O-CB 3.38Å; I65-C68 PolarHBondContact O-N 3.26Å; C68-A70 PolarHBondContact O-N 2.9Å; C68-A70 VanDerWaalsContact O-N 3.17Å; C68-W71 HydrophobicContact CB-CB 4.09Å; C68-W71 HydrophobicContact CB-CG 4.22Å; C68-W71 WeakPolarHBondContact O-CB 3.17Å; C68-W71 PolarHBondContact O-N 3.13Å
69P68.3Low67.8Low77 Ų7766.7 Ų66.750%0.537%0.374SS..G310 helixtrans-61.4-26.3176.9-25.235.7000113.7D2 F67 W71D2-P69 HydrophobicContact CB-CG 4.47Å; F67-P69 WeakPolarHBondContact O-CD 3.42Å; P69-W71 VanDerWaalsContact C-N 3.27Å; P69-W71 PolarHBondContact O-N 3.04Å
70A64Low65.8Low87 Ų8771.5 Ų71.572%0.71940%0.4SS*.G310 helixtrans-83.13.4176.200000113.9C68 K72C68-A70 PolarHBondContact O-N 2.9Å; C68-A70 VanDerWaalsContact O-N 3.17Å; A70-K72 VanDerWaalsContact C-N 3.35Å
71W60.6Low64.1Low79 Ų7975.2 Ų75.230%0.29942%0.42SS..G310 helixtrans-90.30.8170.7-10627.2000114I65 L66 C68 P69 T73 S271 M272I65-W71 HydrophobicContact CB-CH2 3.91Å; I65-W71 HydrophobicContact CB-CZ2 3.76Å; I65-W71 HydrophobicContact CG2-CD2 4.42Å; I65-W71 HydrophobicContact CG2-CH2 4Å; I65-W71 HydrophobicContact CG2-CZ2 3.31Å; I65-W71 VanDerWaalsContact O-CD2 3.23Å; L66-W71 HydrophobicContact CD2-CZ3 4.22Å; C68-W71 HydrophobicContact CB-CB 4.09Å; C68-W71 HydrophobicContact CB-CG 4.22Å; C68-W71 WeakPolarHBondContact O-CB 3.17Å; C68-W71 PolarHBondContact O-N 3.13Å; P69-W71 VanDerWaalsContact C-N 3.27Å; P69-W71 PolarHBondContact O-N 3.04Å; W71-T73 PolarHBondContact O-N 2.94Å; W71-S271 WeakPolarHBondContact CZ2-O 3.3Å; W71-M272 HydrophobicContact CH2-CE 3.74Å; W71-M272 HydrophobicContact CH2-SD 3.47Å; W71-M272 WeakPolarHBondContact CH2-SD 3.42Å; W71-M272 HydrophobicContact CZ3-CE 4.27Å; W71-M272 HydrophobicContact CZ3-SD 3.88Å
72K56Low62.3Low134 Ų13476.6 Ų76.658%0.58343%0.431SS*.SBendtrans-64.995.6156.5-69.9166.8-170.3168.50105.2D2 A70 A74D2-K72 IonicContact OD2-NZ 3.35Å; D2-K72 PolarHBondContact OD2-NZ 3.42Å; A70-K72 VanDerWaalsContact C-N 3.35Å; K72-A74 PolarHBondContact O-N 3.24Å
73T51.8Low60.2Low78 Ų7882 Ų8248%0.47946%0.457SS..  trans-42.3140.2167.539.10000107.7W71 N75W71-T73 PolarHBondContact O-N 2.94Å; T73-N75 PolarHBondContact O-N 3.32Å; T73-N75 VanDerWaalsContact O-N 3.11Å
74A50.8Low58.4Low76 Ų7691.1 Ų91.163%0.62850%0.499SS*.SBendtrans-44.8126.9-173.100000108.8K72K72-A74 PolarHBondContact O-N 3.24Å
75N50.3Low56.6Low147 Ų14796.6 Ų96.679%0.78652%0.523SS*.  trans-36.7122.2-178-75.6-8.8000107T73 P77T73-N75 PolarHBondContact O-N 3.32Å; T73-N75 VanDerWaalsContact O-N 3.11Å; N75-P77 VanDerWaalsContact O-N 3.12Å
76P52Low55.3Low103 Ų103104.4 Ų104.467%0.66957%0.565SS**  trans-49.2132-175.721.4-32.8000106.2
77P52.3Low54.4Low51 Ų51104.8 Ų104.833%0.33158%0.581SS.*  trans-49.6147.4179.222.4-32.5000107.5N75 Q79N75-P77 VanDerWaalsContact O-N 3.12Å; P77-Q79 PolarHBondContact O-N 2.92Å
78P50.2Low54.2Low91 Ų91106.7 Ų106.759%0.59159%0.59SS**  trans-44.3139.1167.722.2-32.4000107.7D80P78-D80 WeakPolarHBondContact CB-OD1 3.35Å; P78-D80 VanDerWaalsContact CG-OD1 3.31Å; P78-D80 WeakPolarHBondContact CG-OD1 3.28Å; P78-D80 PolarHBondContact O-N 3.28Å
79Q51.6Low54.2Low157 Ų157107.3 Ų107.373%0.73459%0.593SS**  trans-72.272179.6-72.3-176.6-35.600107.4P77 D81 N207P77-Q79 PolarHBondContact O-N 2.92Å; Q79-D81 PolarHBondContact O-N 3.11Å; Q79-N207 PolarHBondContact OE1-ND2 3.04Å
80D43.7Very low55Low120 Ų120106.1 Ų106.164%0.64258%0.579SS**  trans-68.576.9175.9-65.8-17.1000106.2P78P78-D80 WeakPolarHBondContact CB-OD1 3.35Å; P78-D80 VanDerWaalsContact CG-OD1 3.31Å; P78-D80 WeakPolarHBondContact CG-OD1 3.28Å; P78-D80 PolarHBondContact O-N 3.28Å
81D49.5Very low56.1Low79 Ų79102.9 Ų102.942%0.42255%0.552SS.*  trans52.1147.9152.2-57.3-67.7000118.7Q79 E83 H210Q79-D81 PolarHBondContact O-N 3.11Å; D81-E83 HydrophobicContact CB-CB 4.13Å; D81-E83 HydrophobicContact CB-CG 3.95Å; D81-E83 PolarHBondContact O-N 2.91Å; D81-H210 IonicContact OD1-CE1 2.65Å; D81-H210 PolarHBondContact OD1-CE1 2.84Å; D81-H210 IonicContact OD1-CG 2.75Å; D81-H210 IonicContact OD1-ND1 2.81Å; D81-H210 PolarHBondContact OD1-ND1 2.91Å
82E46.8Very low57.3Low134 Ų134100.8 Ų100.863%0.62655%0.546SS*.  trans-74.957.5152.7-69.7-172.2162.800107.6K145E82-K145 IonicContact OE1-NZ 3.96Å; E82-K145 PolarHBondContact OE1-NZ 3.15Å
83E40.5Very low58.9Low149 Ų14995.8 Ų95.870%0.69653%0.526SS*.  trans-67.3136.5174.1-106.3-166.8175.100109.9D81 E85D81-E83 HydrophobicContact CB-CB 4.13Å; D81-E83 HydrophobicContact CB-CG 3.95Å; D81-E83 PolarHBondContact O-N 2.91Å; E83-E85 PolarHBondContact O-N 3.29Å
84E45.5Very low60.6Low190 Ų19092.2 Ų92.289%0.88850%0.504SS*.  trans-80.853-171-59.5172.7125.200112D86E84-D86 PolarHBondContact O-N 3.29Å
85E40.9Very low62.3Low169 Ų16989.1 Ų89.179%0.7948%0.477SS*.  trans-73.665.8175.4-77.7-146.7126.800112.7E83 G87E83-E85 PolarHBondContact O-N 3.29Å; E85-G87 PolarHBondContact O-N 2.75Å
86D50.6Low64Low177 Ų17785.9 Ų85.995%0.94746%0.462SS*.SBendtrans529.4157.6-77.8-36.9000118.9E84E84-D86 PolarHBondContact O-N 3.29Å
87G62.4Low65.5Low57 Ų5781.7 Ų81.759%0.58843%0.434SS*.SBendtrans-166.4167.8179.500000115.2E85 P89E85-G87 PolarHBondContact O-N 2.75Å; G87-P89 WeakPolarHBondContact O-CD 3.43Å
88E73.6Confident67Low53 Ų5381.5 Ų81.525%0.24843%0.43CS..  trans-92.8100.8172.7-74.2176.4-143.100109.6Y90 I92 R227 G248E88-Y90 PolarHBondContact O-N 2.94Å; E88-I92 HydrophobicContact CG-CD1 4.35Å; E88-R227 IonicContact OE1-CZ 3.21Å; E88-R227 IonicContact OE1-NH2 2.69Å; E88-R227 PolarHBondContact OE1-NH2 2.9Å; E88-R227 IonicContact OE2-CZ 2.9Å; E88-R227 IonicContact OE2-NH1 3.6Å; E88-R227 PolarHBondContact OE2-NH1 2.9Å; E88-R227 IonicContact OE2-NH2 4Å; E88-R227 PolarHBondContact OE2-NH2 2.86Å; E88-G248 WeakPolarHBondContact O-CA 3.45Å
89P78Confident68.7Low45 Ų4580.3 Ų80.329%0.29242%0.415SS..SBendtrans-68-21.6-176.424.7-33.3000113.3G87 N251 V254 Y257G87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-N251 PolarHBondContact O-ND2 3.02Å; P89-N251 VanDerWaalsContact O-ND2 3.08Å; P89-V254 WeakPolarHBondContact O-CG2 3.44Å; P89-Y257 HydrophobicContact CB-CD1 4.12Å; P89-Y257 HydrophobicContact CB-CD2 3.9Å; P89-Y257 HydrophobicContact CB-CE1 4.13Å; P89-Y257 HydrophobicContact CB-CE2 3.88Å; P89-Y257 HydrophobicContact CB-CG 4.03Å; P89-Y257 HydrophobicContact CG-CE1 4.08Å; P89-Y257 HydrophobicContact CG-CE2 3.99Å
90Y84.3Confident70.2Confident53 Ų5377.5 Ų77.521%0.20840%0.403CS..SBendtrans-145.1160.7171.663.3-81.7000110E88 I92 G248 Y257 L258 K261E88-Y90 PolarHBondContact O-N 2.94Å; Y90-I92 HydrophobicContact CE2-CG1 4.36Å; Y90-I92 PolarHBondContact O-N 3.21Å; Y90-I92 VanDerWaalsContact O-N 3.15Å; Y90-G248 CarbonylContact C-O 3.6Å; Y90-G248 VanDerWaalsContact C-O 3.27Å; Y90-G248 WeakPolarHBondContact CA-O 3.37Å; Y90-Y257 AromaticContact CD1-CD1 3.9Å; Y90-Y257 HydrophobicContact CD1-CD1 3.9Å; Y90-Y257 AromaticContact CD1-CE1 3.33Å; Y90-Y257 HydrophobicContact CD1-CE1 3.33Å; Y90-Y257 AromaticContact CE1-CE1 3.64Å; Y90-Y257 HydrophobicContact CE1-CE1 3.64Å; Y90-Y257 HydrophobicContact CG-CE1 4.44Å; Y90-L258 HydrophobicContact CG-CD2 4.12Å; Y90-K261 HydrophobicContact CE1-CD 4.36Å; Y90-K261 PolarHBondContact OH-NZ 3.12Å
91A87.1Confident72Confident18 Ų1881.5 Ų81.515%0.14942%0.418CS..  trans-66.5110.8-179.600000112.3M93 L243 C246 G248A91-M93 PolarHBondContact O-N 3.49Å; A91-M93 VanDerWaalsContact O-N 3.12Å; A91-L243 HydrophobicContact CB-CD1 3.62Å; A91-C246 HydrophobicContact CB-CB 3.59Å; A91-G248 VanDerWaalsContact N-C 3.35Å; A91-G248 PolarHBondContact N-O 3.06Å
92I86.3Confident73.6Confident35 Ų3580 Ų8018%0.17941%0.41CS..  trans-79.693.1175.4-53.4177.3000109.2E88 Y90 H224 R227E88-I92 HydrophobicContact CG-CD1 4.35Å; Y90-I92 HydrophobicContact CE2-CG1 4.36Å; Y90-I92 PolarHBondContact O-N 3.21Å; Y90-I92 VanDerWaalsContact O-N 3.15Å; I92-H224 HydrophobicContact CG2-CB 4.05Å; I92-R227 WeakPolarHBondContact O-CD 3.33Å; I92-R227 PolarHBondContact O-NH1 3.42Å
93M88Confident75.6Confident30 Ų3076.7 Ų76.715%0.14840%0.401CS..PPolyproline II helixtrans-76.1149.8178.5-63.3-56.7-7300112.2A91 Y239 I242 L243A91-M93 PolarHBondContact O-N 3.49Å; A91-M93 VanDerWaalsContact O-N 3.12Å; M93-Y239 HydrophobicContact CB-CE2 4.19Å; M93-Y239 HydrophobicContact CE-CD1 4.19Å; M93-Y239 HydrophobicContact CE-CD2 3.51Å; M93-Y239 HydrophobicContact CE-CE1 4.14Å; M93-Y239 HydrophobicContact CE-CE2 3.46Å; M93-Y239 VanDerWaalsContact CE-CE2 3.46Å; M93-Y239 HydrophobicContact CE-CG 3.88Å; M93-Y239 VanDerWaalsContact CE-O 3.23Å; M93-Y239 WeakPolarHBondContact CE-O 3.25Å; M93-Y239 HydrophobicContact CG-CE2 4.08Å; M93-I242 HydrophobicContact CE-CB 3.99Å; M93-I242 HydrophobicContact CE-CG2 3.83Å; M93-I242 HydrophobicContact SD-CG2 4.14Å; M93-L243 HydrophobicContact CE-CB 3.84Å; M93-L243 HydrophobicContact CG-CD1 4.35Å; M93-L243 HydrophobicContact SD-CB 3.88Å; M93-L243 HydrophobicContact SD-CD1 3.83Å; M93-L243 HydrophobicContact SD-CG 4.48Å
94P88.4Confident77.8Confident2 Ų274.6 Ų74.61%0.01339%0.387CS..PPolyproline II helixtrans-63163161.427.8-32.2000111.1V96 L98 F99 R227 I242P94-V96 PolarHBondContact O-N 2.69Å; P94-L98 HydrophobicContact CB-CD2 4.49Å; P94-F99 HydrophobicContact CG-CE2 3.92Å; P94-F99 HydrophobicContact CG-CZ 3.85Å; P94-R227 HydrophobicContact CB-CB 4.25Å; P94-R227 HydrophobicContact CG-CB 4.21Å; P94-I242 HydrophobicContact CG-CD1 4.48Å
95P87.4Confident79.8Confident11 Ų1173.2 Ų73.27%0.07138%0.38CS..PPolyproline II helixtrans-54.5133.9-179.6-25.135000112.2E97 L98 D147P95-E97 PolarHBondContact O-N 3.39Å; P95-E97 VanDerWaalsContact O-N 3.12Å; P95-L98 WeakPolarHBondContact O-CB 3.31Å; P95-L98 PolarHBondContact O-N 3.13Å; P95-L98 VanDerWaalsContact O-N 3.08Å; P95-D147 HydrophobicContact CB-CB 4.36Å; P95-D147 HydrophobicContact CG-CB 4.43Å
96V85.5Confident82Confident79 Ų7970.2 Ų70.248%0.47937%0.366SS..G310 helixtrans-59.8-27.4-177.2-177.10000111.9P94 L98 F99 M100 Y239P94-V96 PolarHBondContact O-N 2.69Å; V96-L98 PolarHBondContact O-N 3.29Å; V96-L98 VanDerWaalsContact O-N 3.14Å; V96-F99 PolarHBondContact O-N 3.08Å; V96-M100 HydrophobicContact CG1-CG 4.33Å; V96-M100 HydrophobicContact CG1-SD 4.06Å; V96-M100 PolarHBondContact O-N 3.41Å; V96-Y239 HydrophobicContact CG2-CE2 4.38Å
97E83.1Confident83.7Confident16 Ų1663.5 Ų63.58%0.07533%0.328CS..G310 helixtrans-51.9-31.3174.4-60.1175.1137.600113.7P95 F99 M100 L102 R146 D147P95-E97 PolarHBondContact O-N 3.39Å; P95-E97 VanDerWaalsContact O-N 3.12Å; E97-F99 PolarHBondContact O-N 3.09Å; E97-M100 PolarHBondContact O-N 2.91Å; E97-M100 VanDerWaalsContact O-N 3.16Å; E97-L102 HydrophobicContact CB-CD1 4.47Å; E97-L102 HydrophobicContact CG-CD1 4.4Å; E97-R146 VanDerWaalsContact CD-CD 3.41Å; E97-R146 WeakPolarHBondContact OE1-CD 3.34Å; E97-R146 IonicContact OE1-CZ 2.67Å; E97-R146 IonicContact OE1-NE 2.67Å; E97-R146 PolarHBondContact OE1-NE 3.17Å; E97-R146 IonicContact OE1-NH1 3.48Å; E97-R146 PolarHBondContact OE1-NH1 3.31Å; E97-R146 WeakPolarHBondContact OE2-CA 3.44Å; E97-R146 WeakPolarHBondContact OE2-CD 3.43Å; E97-R146 IonicContact OE2-NH1 2.68Å; E97-D147 PolarHBondContact OE2-N 2.71Å
98L84.5Confident85Confident46 Ų4663.4 Ų63.424%0.24131%0.31CS..G310 helixtrans-65.5-22.9178.8-171.365.9000112.9P94 P95 V96 A231P94-L98 HydrophobicContact CB-CD2 4.49Å; P95-L98 WeakPolarHBondContact O-CB 3.31Å; P95-L98 PolarHBondContact O-N 3.13Å; P95-L98 VanDerWaalsContact O-N 3.08Å; V96-L98 PolarHBondContact O-N 3.29Å; V96-L98 VanDerWaalsContact O-N 3.14Å; L98-A231 HydrophobicContact CD2-CB 3.72Å
99F85.4Confident85.7Confident66 Ų6664.7 Ų64.729%0.28932%0.324SS..G310 helixtrans-106.43.4178.5-45.2-82.5000112.4P94 V96 E97 A231 Y239 I242P94-F99 HydrophobicContact CG-CE2 3.92Å; P94-F99 HydrophobicContact CG-CZ 3.85Å; V96-F99 PolarHBondContact O-N 3.08Å; E97-F99 PolarHBondContact O-N 3.09Å; F99-A231 HydrophobicContact CE1-CB 4.36Å; F99-A231 HydrophobicContact CZ-CB 4.36Å; F99-Y239 AromaticContact CD2-CD2 3.77Å; F99-Y239 HydrophobicContact CD2-CD2 3.77Å; F99-Y239 HydrophobicContact CD2-CG 4.47Å; F99-Y239 AromaticContact CE2-CD2 3.75Å; F99-Y239 HydrophobicContact CE2-CD2 3.75Å; F99-Y239 HydrophobicContact CG-CD2 4.47Å; F99-Y239 HydrophobicContact CZ-CD2 4.42Å; F99-I242 HydrophobicContact CE1-CD1 3.76Å; F99-I242 HydrophobicContact CZ-CD1 3.55Å
100M82.7Confident86.1Confident98 Ų9865 Ų6548%0.48332%0.323SS..SBendtrans-107124.3173.3-62.9178.265.800107.7V96 E97 L102V96-M100 HydrophobicContact CG1-CG 4.33Å; V96-M100 HydrophobicContact CG1-SD 4.06Å; V96-M100 PolarHBondContact O-N 3.41Å; E97-M100 PolarHBondContact O-N 2.91Å; E97-M100 VanDerWaalsContact O-N 3.16Å; M100-L102 HydrophobicContact CB-CD1 4.06Å; M100-L102 HydrophobicContact CB-CG 3.82Å; M100-L102 HydrophobicContact CE-CD1 4.48Å; M100-L102 HydrophobicContact CE-CD2 4.35Å; M100-L102 PolarHBondContact O-N 3.31Å
101E80.8Confident86.3Confident204 Ų20462.7 Ų62.795%0.95331%0.314SS*.  trans-74.261.5-177.9-61.5-177.7162.100111.7
102L84.3Confident86.3Confident47 Ų4762.3 Ų62.325%0.24631%0.309CS..  trans-83.8134.5-173.3-67.9174.9000112.1E97 M100 R107E97-L102 HydrophobicContact CB-CD1 4.47Å; E97-L102 HydrophobicContact CG-CD1 4.4Å; M100-L102 HydrophobicContact CB-CD1 4.06Å; M100-L102 HydrophobicContact CB-CG 3.82Å; M100-L102 HydrophobicContact CE-CD1 4.48Å; M100-L102 HydrophobicContact CE-CD2 4.35Å; M100-L102 PolarHBondContact O-N 3.31Å; L102-R107 HydrophobicContact CB-CG 3.85Å; L102-R107 HydrophobicContact CD1-CG 4.46Å
103P88.6Confident86.4Confident66 Ų6667.1 Ų67.143%0.42933%0.325SS..  trans-54.5140.8174.2-25.734.1000113.2E105 E106 R107P103-E105 VanDerWaalsContact C-N 3.27Å; P103-E105 PolarHBondContact O-N 3.3Å; P103-E106 HydrophobicContact CB-CB 4.28Å; P103-E106 HydrophobicContact CB-CG 4.11Å; P103-E106 WeakPolarHBondContact CD-OE2 3.36Å; P103-E106 HydrophobicContact CG-CG 4.26Å; P103-E106 PolarHBondContact O-N 3.02Å; P103-E106 VanDerWaalsContact O-N 3.16Å; P103-R107 PolarHBondContact O-N 3.32Å
104Y86.7Confident86.3Confident105 Ų10567.4 Ų67.441%0.41233%0.327SS..Hα-helixtrans-53-44.1176.8176.4-83.2000112.4E106 R107 R108 L151Y104-E106 PolarHBondContact O-N 2.94Å; Y104-R107 PolarHBondContact O-N 3.48Å; Y104-R108 WeakPolarHBondContact O-CB 3.28Å; Y104-R108 PolarHBondContact O-N 3.03Å; Y104-R108 PolarHBondContact OH-NH1 3.15Å; Y104-R108 VanDerWaalsContact OH-NH1 3.09Å; Y104-L151 HydrophobicContact CD2-CD2 3.74Å; Y104-L151 HydrophobicContact CE2-CD2 3.6Å; Y104-L151 HydrophobicContact CG-CD2 4.34Å; Y104-L151 PolarHBondContact OH-O 3.07Å; Y104-L151 VanDerWaalsContact OH-O 3.11Å
105E87.3Confident86.3Confident160 Ų16067.4 Ų67.475%0.74833%0.326SS*.Hα-helixtrans-65.5-37.8-178.6-61.8179-177.300112P103 S109P103-E105 VanDerWaalsContact C-N 3.27Å; P103-E105 PolarHBondContact O-N 3.3Å; E105-S109 VanDerWaalsContact O-CB 3.3Å; E105-S109 WeakPolarHBondContact O-CB 3.23Å; E105-S109 PolarHBondContact O-N 3.39Å
106E86.6Confident86.3Confident107 Ų10773 Ų7350%0.535%0.352SS..Hα-helixtrans-70.2-46176-67.2-175.717700111.3P103 Y104 R108 S109 M110P103-E106 HydrophobicContact CB-CB 4.28Å; P103-E106 HydrophobicContact CB-CG 4.11Å; P103-E106 WeakPolarHBondContact CD-OE2 3.36Å; P103-E106 HydrophobicContact CG-CG 4.26Å; P103-E106 PolarHBondContact O-N 3.02Å; P103-E106 VanDerWaalsContact O-N 3.16Å; Y104-E106 PolarHBondContact O-N 2.94Å; E106-R108 VanDerWaalsContact C-N 3.31Å; E106-R108 PolarHBondContact O-N 2.94Å; E106-S109 PolarHBondContact O-N 3.39Å; E106-M110 WeakPolarHBondContact O-CB 3.35Å; E106-M110 WeakPolarHBondContact O-CG 3.31Å; E106-M110 PolarHBondContact O-N 3.18Å
107R87.6Confident86.4Confident36 Ų3677.1 Ų77.114%0.13636%0.358CS..Hα-helixtrans-55.8-45.5173.7-72.2-158.3-77156.2-5.3111.4L102 P103 Y104 M111 D147 D150 L151L102-R107 HydrophobicContact CB-CG 3.85Å; L102-R107 HydrophobicContact CD1-CG 4.46Å; P103-R107 PolarHBondContact O-N 3.32Å; Y104-R107 PolarHBondContact O-N 3.48Å; R107-M111 WeakPolarHBondContact O-CB 3.14Å; R107-M111 PolarHBondContact O-N 3.18Å; R107-D147 IonicContact NH1-OD2 2.67Å; R107-D147 PolarHBondContact NH1-OD2 3.49Å; R107-D150 IonicContact CZ-OD2 2.76Å; R107-D150 IonicContact NH1-OD2 2.94Å; R107-D150 PolarHBondContact NH1-OD2 2.53Å; R107-D150 VanDerWaalsContact NH1-OD2 3.14Å; R107-D150 IonicContact NH2-OD2 3.4Å; R107-D150 PolarHBondContact NH2-OD2 3.01Å; R107-L151 HydrophobicContact CB-CD1 4.45Å; R107-L151 HydrophobicContact CB-CD2 4.16Å
108R88.8Confident86.5Confident55 Ų5576.6 Ų76.621%0.20836%0.357CS..Hα-helixtrans-62.5-47177-171.2-179.3-173.592.14.8112.5Y104 E106 M111 Y112 L151 L153 E193Y104-R108 WeakPolarHBondContact O-CB 3.28Å; Y104-R108 PolarHBondContact O-N 3.03Å; Y104-R108 PolarHBondContact OH-NH1 3.15Å; Y104-R108 VanDerWaalsContact OH-NH1 3.09Å; E106-R108 VanDerWaalsContact C-N 3.31Å; E106-R108 PolarHBondContact O-N 2.94Å; R108-M111 WeakPolarHBondContact O-CB 3.39Å; R108-M111 PolarHBondContact O-N 3.42Å; R108-Y112 HydrophobicContact CG-CD2 4.26Å; R108-Y112 HydrophobicContact CG-CE2 4.07Å; R108-Y112 WeakPolarHBondContact O-CD2 3.39Å; R108-Y112 PolarHBondContact O-N 3.05Å; R108-L151 HydrophobicContact CB-CD2 4.49Å; R108-L151 PolarHBondContact NH1-O 2.91Å; R108-L153 HydrophobicContact CG-CD2 4.47Å; R108-E193 IonicContact CZ-OE2 3.36Å; R108-E193 VanDerWaalsContact NE-CD 3.33Å; R108-E193 IonicContact NE-OE1 2.88Å; R108-E193 PolarHBondContact NE-OE1 3.36Å; R108-E193 IonicContact NE-OE2 3.06Å; R108-E193 PolarHBondContact NE-OE2 3.06Å; R108-E193 IonicContact NH2-OE2 2.68Å; R108-E193 PolarHBondContact NH2-OE2 2.92Å
109S88.4Confident86.7Confident79 Ų7975.5 Ų75.555%0.55235%0.352SS*.Hα-helixtrans-63.5-44.7178.8-176.70000112.2E105 E106 M111 Y112 R113E105-S109 VanDerWaalsContact O-CB 3.3Å; E105-S109 WeakPolarHBondContact O-CB 3.23Å; E105-S109 PolarHBondContact O-N 3.39Å; E106-S109 PolarHBondContact O-N 3.39Å; S109-M111 VanDerWaalsContact C-N 3.32Å; S109-M111 PolarHBondContact O-N 2.96Å; S109-Y112 PolarHBondContact O-N 3.47Å; S109-R113 WeakPolarHBondContact O-CB 3.41Å; S109-R113 PolarHBondContact O-N 3.01Å
110M86.4Confident86.9Confident52 Ų5272.3 Ų72.326%0.25634%0.338SS..Hα-helixtrans-63.7-36.5175.9-71.3178.363.200112.1E106 R113 D114E106-M110 WeakPolarHBondContact O-CB 3.35Å; E106-M110 WeakPolarHBondContact O-CG 3.31Å; E106-M110 PolarHBondContact O-N 3.18Å; M110-R113 PolarHBondContact O-N 3.34Å; M110-D114 WeakPolarHBondContact O-CB 3.41Å; M110-D114 VanDerWaalsContact O-CG 3.23Å; M110-D114 PolarHBondContact O-N 3.1Å
111M87.5Confident87.3Confident5 Ų567.7 Ų67.73%0.02532%0.315CS..Hα-helixtrans-60.7-50.7174.3177.94848.200112.2R107 R108 S109 R113 D114 L115 R146 I148 L151 L153R107-M111 WeakPolarHBondContact O-CB 3.14Å; R107-M111 PolarHBondContact O-N 3.18Å; R108-M111 WeakPolarHBondContact O-CB 3.39Å; R108-M111 PolarHBondContact O-N 3.42Å; S109-M111 VanDerWaalsContact C-N 3.32Å; S109-M111 PolarHBondContact O-N 2.96Å; M111-R113 PolarHBondContact O-N 3Å; M111-D114 PolarHBondContact O-N 3.38Å; M111-L115 VanDerWaalsContact O-CB 3.23Å; M111-L115 WeakPolarHBondContact O-CB 3.14Å; M111-L115 PolarHBondContact O-N 3.11Å; M111-L115 HydrophobicContact SD-CB 4.28Å; M111-L115 HydrophobicContact SD-CD1 4.42Å; M111-R146 HydrophobicContact CE-CB 3.39Å; M111-R146 HydrophobicContact CE-CG 3.59Å; M111-I148 HydrophobicContact CE-CG2 3.43Å; M111-I148 VanDerWaalsContact CE-CG2 3.43Å; M111-I148 HydrophobicContact CG-CG2 4.29Å; M111-I148 HydrophobicContact SD-CG2 4.11Å; M111-L151 HydrophobicContact CB-CD1 4.46Å; M111-L153 HydrophobicContact CG-CD1 3.56Å
112Y88.4Confident87.8Confident10 Ų1058 Ų584%0.03927%0.27CS..Hα-helixtrans-66-25.1177.1-76.8-71.4000113.8R108 S109 L153 I188 R190 E193 I195R108-Y112 HydrophobicContact CG-CD2 4.26Å; R108-Y112 HydrophobicContact CG-CE2 4.07Å; R108-Y112 WeakPolarHBondContact O-CD2 3.39Å; R108-Y112 PolarHBondContact O-N 3.05Å; S109-Y112 PolarHBondContact O-N 3.47Å; Y112-L153 HydrophobicContact CE2-CD2 4.13Å; Y112-I188 HydrophobicContact CD1-CG2 4.12Å; Y112-R190 WeakPolarHBondContact O-CD 3.17Å; Y112-R190 PolarHBondContact O-NE 2.99Å; Y112-E193 HydrophobicContact CD2-CG 4.19Å; Y112-E193 HydrophobicContact CE1-CB 4.19Å; Y112-E193 HydrophobicContact CE2-CB 3.88Å; Y112-E193 HydrophobicContact CE2-CG 3.82Å; Y112-E193 PolarHBondContact OH-O 2.86Å; Y112-I195 HydrophobicContact CE1-CD1 3.98Å; Y112-I195 HydrophobicContact CE1-CG1 3.72Å
113R87.4Confident88.1Confident136 Ų13655.8 Ų55.851%0.51326%0.258SS..Hα-helixtrans-74.5-42.8174.3-172-16569.3-159.6-6.6112.7S109 M110 M111 R190S109-R113 WeakPolarHBondContact O-CB 3.41Å; S109-R113 PolarHBondContact O-N 3.01Å; M110-R113 PolarHBondContact O-N 3.34Å; M111-R113 PolarHBondContact O-N 3Å; R113-R190 PolarHBondContact O-NH2 2.79Å
114D86.3Confident88.4Confident36 Ų3656.5 Ų56.519%0.19325%0.252CS..Hα-helixtrans-93-18.7-169.9-63.8-7.9000113.6M110 M111 L144 R146M110-D114 WeakPolarHBondContact O-CB 3.41Å; M110-D114 VanDerWaalsContact O-CG 3.23Å; M110-D114 PolarHBondContact O-N 3.1Å; M111-D114 PolarHBondContact O-N 3.38Å; D114-L144 HydrophobicContact CB-CD2 3.71Å; D114-R146 IonicContact OD2-CZ 2.84Å; D114-R146 IonicContact OD2-NE 3.69Å; D114-R146 IonicContact OD2-NH2 2.64Å; D114-R146 PolarHBondContact OD2-NH2 3.34Å
115L87.9Confident88.7Confident1 Ų151.6 Ų51.61%0.00523%0.233CC..  trans-70.6130.4173.4-167.868.8000110.4M111 D119 V121 M140 V185 I188 R190 I195M111-L115 VanDerWaalsContact O-CB 3.23Å; M111-L115 WeakPolarHBondContact O-CB 3.14Å; M111-L115 PolarHBondContact O-N 3.11Å; M111-L115 HydrophobicContact SD-CB 4.28Å; M111-L115 HydrophobicContact SD-CD1 4.42Å; L115-D119 HydrophobicContact CD1-CB 4.28Å; L115-V121 HydrophobicContact CD1-CG1 4.35Å; L115-M140 HydrophobicContact CD1-CE 3.49Å; L115-M140 VanDerWaalsContact CD1-CE 3.49Å; L115-M140 HydrophobicContact CD1-SD 3.62Å; L115-V185 HydrophobicContact CD1-CG2 4.13Å; L115-V185 HydrophobicContact CD2-CG1 4.31Å; L115-V185 HydrophobicContact CD2-CG2 4.47Å; L115-V185 HydrophobicContact CG-CG1 4.39Å; L115-V185 HydrophobicContact CG-CG2 4.46Å; L115-I188 VanDerWaalsContact C-CD1 3.48Å; L115-I188 HydrophobicContact CB-CD1 3.95Å; L115-I188 HydrophobicContact CD2-CD1 3.91Å; L115-I188 HydrophobicContact CD2-CG1 4.25Å; L115-I188 HydrophobicContact CG-CD1 3.65Å; L115-I188 HydrophobicContact CG-CG1 4.49Å; L115-I188 WeakPolarHBondContact O-CD1 3.38Å; L115-R190 PolarHBondContact O-NH2 3.37Å; L115-I195 HydrophobicContact CD2-CD1 3.85Å; L115-I195 HydrophobicContact CD2-CG1 4.24Å; L115-I195 HydrophobicContact CD2-CG2 4.2Å
116E87.8Confident88.9Confident130 Ų13047.6 Ų47.661%0.60722%0.217SC*.  trans-122.2164.7178.9-62.3-159154.800113.1G118 D119E116-G118 PolarHBondContact O-N 3.06Å; E116-D119 PolarHBondContact N-OD2 3.33Å
117R88Confident89.1Confident164 Ų16445.9 Ų45.962%0.61921%0.211SC*.THydrogen-bonded Turntrans-74124.8174.9-63.7-177.5179.7164.1-6109V185 K186 D187R117-V185 WeakPolarHBondContact CA-O 3.17Å; R117-K186 VanDerWaalsContact CD-O 3.3Å; R117-K186 WeakPolarHBondContact CD-O 3.23Å; R117-K186 WeakPolarHBondContact CG-O 3.41Å; R117-D187 IonicContact CZ-OD1 3.33Å; R117-D187 IonicContact CZ-OD2 3.45Å; R117-D187 IonicContact NE-OD1 3.03Å; R117-D187 PolarHBondContact NE-OD1 2.92Å; R117-D187 IonicContact NH2-OD1 2.64Å; R117-D187 PolarHBondContact NH2-OD1 2.85Å; R117-D187 IonicContact NH2-OD2 2.68Å; R117-D187 PolarHBondContact NH2-OD2 3.35Å; R117-D187 VanDerWaalsContact NH2-OD2 3.12Å
118G85.6Confident89.2Confident5 Ų546.4 Ų46.45%0.05222%0.216CC..THydrogen-bonded Turntrans108.9-11.7-175.200000114.9E116 V185 S203 S205E116-G118 PolarHBondContact O-N 3.06Å; G118-V185 PolarHBondContact N-O 3.11Å; G118-S203 WeakPolarHBondContact CA-O 3.38Å; G118-S205 WeakPolarHBondContact CA-OG 3.44Å; G118-S205 PolarHBondContact O-N 3.03Å; G118-S205 PolarHBondContact O-OG 2.99Å
119D88.6Confident89.2Confident23 Ų2349.5 Ų49.512%0.12323%0.228CC..  trans-65.4160.1171.5-82-38.1000112.5L115 E116 M140 G184 V185L115-D119 HydrophobicContact CD1-CB 4.28Å; E116-D119 PolarHBondContact N-OD2 3.33Å; D119-M140 HydrophobicContact CB-CE 4.14Å; D119-G184 CarbonylContact O-C 3.56Å; D119-G184 WeakPolarHBondContact O-CA 3.39Å; D119-V185 HydrophobicContact CB-CB 4.47Å; D119-V185 HydrophobicContact CB-CG2 4.23Å; D119-V185 PolarHBondContact O-N 2.98Å
120I88.8Confident88.9Confident0 Ų054.7 Ų54.70%024%0.243CC..EExtended strand (participates in β ladder)trans-108.9129.2174.1-61.4176.4000110.1A141 G142 K182 A183 L204 L208 I211 L213I120-A141 HydrophobicContact CG2-CB 3.96Å; I120-A141 PolarHBondContact O-N 3.48Å; I120-G142 PolarHBondContact O-N 2.66Å; I120-K182 HydrophobicContact CG2-CD 4.32Å; I120-K182 HydrophobicContact CG2-CG 3.57Å; I120-A183 WeakPolarHBondContact CA-O 3.43Å; I120-L204 HydrophobicContact CD1-CD1 4.24Å; I120-L204 HydrophobicContact CD1-CD2 4.02Å; I120-L204 HydrophobicContact CG1-CD2 3.52Å; I120-L208 HydrophobicContact CD1-CB 4.03Å; I120-L208 HydrophobicContact CD1-CD1 4.14Å; I120-L208 HydrophobicContact CG1-CD1 4.08Å; I120-I211 HydrophobicContact CD1-CB 3.8Å; I120-I211 HydrophobicContact CD1-CD1 3.85Å; I120-I211 HydrophobicContact CD1-CG1 4.31Å; I120-I211 HydrophobicContact CD1-CG2 3.85Å; I120-L213 HydrophobicContact CG2-CD2 4.49Å
121V90.9Very high89Confident1 Ų157.1 Ų57.11%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-115.5150.3171.9-67.60000111L115 L137 M140 A183 V185 V197L115-V121 HydrophobicContact CD1-CG1 4.35Å; V121-L137 HydrophobicContact CB-CD1 4.41Å; V121-L137 HydrophobicContact CB-CD2 4Å; V121-L137 HydrophobicContact CG1-CD1 4.19Å; V121-L137 HydrophobicContact CG2-CD2 3.85Å; V121-M140 HydrophobicContact CG1-SD 3.72Å; V121-A183 PolarHBondContact N-O 3.34Å; V121-A183 PolarHBondContact O-N 2.87Å; V121-V185 HydrophobicContact CB-CG2 4.49Å; V121-V185 HydrophobicContact CG1-CG2 3.71Å; V121-V185 HydrophobicContact CG2-CG2 4.02Å; V121-V197 HydrophobicContact CG2-CG1 3.79Å
122V91.5Very high89Confident0 Ų056.9 Ų56.90%025%0.25CC..EExtended strand (participates in β ladder)trans-114.4133.3169.9177.80000109L138 C139 A141 I181 K182 I216 L221V122-L138 PolarHBondContact O-N 3.5Å; V122-C139 PolarHBondContact N-O 3.37Å; V122-C139 PolarHBondContact O-N 2.95Å; V122-A141 HydrophobicContact CG2-CB 3.7Å; V122-I181 VanDerWaalsContact CA-O 3.31Å; V122-I181 WeakPolarHBondContact CA-O 3.48Å; V122-K182 HydrophobicContact CG2-CG 4.19Å; V122-I216 HydrophobicContact CB-CD1 4.33Å; V122-I216 HydrophobicContact CG1-CD1 3.66Å; V122-I216 HydrophobicContact CG2-CD1 3.76Å; V122-L221 HydrophobicContact CG1-CD2 3.87Å
123G91.9Very high89.1Confident0 Ų056.4 Ų56.40%025%0.248CC..EExtended strand (participates in β ladder)trans-149.8162.1179.200000113.7T136 I181G123-T136 CarbonylContact C-O 3.54Å; G123-T136 WeakPolarHBondContact CA-O 3.32Å; G123-I181 PolarHBondContact N-O 3.05Å; G123-I181 PolarHBondContact O-N 2.99Å
124R93.2Very high89.4Confident81 Ų8152.6 Ų52.631%0.30624%0.235SC..EExtended strand (participates in β ladder)trans-96139.7174.861.4-173.1179.3-153.91110.8N126 L135 T136 L138 E149 E152 D179 L180R124-N126 PolarHBondContact O-N 3.36Å; R124-N126 PolarHBondContact O-OD1 3.34Å; R124-L135 CarbonylContact O-C 3.6Å; R124-L135 VanDerWaalsContact O-CA 3.24Å; R124-L135 WeakPolarHBondContact O-CA 3.2Å; R124-T136 WeakPolarHBondContact CG-OG1 3.35Å; R124-T136 PolarHBondContact N-O 3.5Å; R124-T136 PolarHBondContact NE-OG1 2.84Å; R124-T136 PolarHBondContact O-N 3.11Å; R124-L138 HydrophobicContact CB-CD1 4.2Å; R124-L138 HydrophobicContact CG-CD1 4.36Å; R124-L138 HydrophobicContact CG-CD2 4.34Å; R124-L138 HydrophobicContact CG-CG 4.49Å; R124-E149 IonicContact NH1-OE1 2.82Å; R124-E152 IonicContact NH2-OE1 3.53Å; R124-D179 CarbonylContact C-O 3.5Å; R124-D179 VanDerWaalsContact CA-O 3.32Å; R124-D179 WeakPolarHBondContact CA-O 3.27Å; R124-L180 HydrophobicContact CB-CD2 4.2Å
125I93.3Very high89.7Confident3 Ų351 Ų512%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-71.1117.8176-56.5-176.8000110.4I128 F133 L135 Y175 G178 D179 I181I125-I128 HydrophobicContact CG2-CD1 4.18Å; I125-I128 HydrophobicContact CG2-CG1 3.67Å; I125-F133 HydrophobicContact CG1-CD2 4.4Å; I125-F133 HydrophobicContact CG2-CB 4.27Å; I125-L135 HydrophobicContact CB-CD2 4.38Å; I125-L135 HydrophobicContact CG1-CD2 3.71Å; I125-Y175 HydrophobicContact CD1-CD1 4.19Å; I125-Y175 HydrophobicContact CD1-CG 4.34Å; I125-G178 PolarHBondContact O-N 2.88Å; I125-D179 HydrophobicContact CD1-CB 3.94Å; I125-D179 HydrophobicContact CG1-CB 4.26Å; I125-D179 PolarHBondContact N-O 3.11Å; I125-I181 HydrophobicContact CD1-CD1 3.6Å; I125-I181 HydrophobicContact CD1-CG1 4.36Å; I125-I181 HydrophobicContact CG1-CD1 3.86Å; I125-I181 HydrophobicContact CG1-CG1 4.35Å
126N91.3Very high90Very high76 Ų7651.2 Ų51.241%0.40623%0.228SC..EExtended strand (participates in β ladder)trans-88.5-40.5175.1-76.730.1000112.6R124 F134 T136R124-N126 PolarHBondContact O-N 3.36Å; R124-N126 PolarHBondContact O-OD1 3.34Å; N126-F134 PolarHBondContact N-O 3.16Å; N126-T136 VanDerWaalsContact ND2-CG2 3.27Å; N126-T136 WeakPolarHBondContact ND2-CG2 3.49Å; N126-T136 PolarHBondContact ND2-OG1 3.08Å; N126-T136 PolarHBondContact OD1-N 3.44Å; N126-T136 PolarHBondContact OD1-OG1 3.13Å
127N90.9Very high90.1Very high70 Ų7045.2 Ų45.237%0.37420%0.2SC..EExtended strand (participates in β ladder)trans-158.3135.7-169.9-163.8-57.7000110.4F133 F134N127-F133 CarbonylContact O-C 3.27Å; N127-F133 VanDerWaalsContact O-CA 3.3Å; N127-F133 WeakPolarHBondContact O-CA 3.46Å; N127-F133 WeakPolarHBondContact O-CB 3.35Å; N127-F134 PolarHBondContact O-N 3.04Å
128I89.8Confident90.1Very high48 Ų4837.8 Ų37.825%0.24617%0.172CC..EExtended strand (participates in β ladder)trans-113132.1179.3-55.4176.8000108.4I125 F133 L172 Y175 I177I125-I128 HydrophobicContact CG2-CD1 4.18Å; I125-I128 HydrophobicContact CG2-CG1 3.67Å; I128-F133 HydrophobicContact CB-CB 4.39Å; I128-F133 HydrophobicContact CG1-CB 4.03Å; I128-F133 HydrophobicContact CG2-CB 4.48Å; I128-L172 HydrophobicContact CG2-CB 4.42Å; I128-L172 HydrophobicContact CG2-CD1 4.43Å; I128-L172 HydrophobicContact CG2-CD2 4.18Å; I128-Y175 VanDerWaalsContact CD1-O 3.29Å; I128-Y175 WeakPolarHBondContact CD1-O 3.44Å; I128-I177 HydrophobicContact CD1-CG1 4.27Å; I128-I177 HydrophobicContact CG1-CG1 4.22Å
129R88.9Confident90.2Very high119 Ų11937.7 Ų37.745%0.44917%0.171SC..EExtended strand (participates in β ladder)trans-135.9162.3178.3-61.4-178.1177.4-168.6-6.8110.7Y131 G132 L172R129-Y131 HydrophobicContact CB-CD1 4.23Å; R129-Y131 HydrophobicContact CB-CE1 4.02Å; R129-Y131 WeakPolarHBondContact CD-OH 3.46Å; R129-Y131 PolarHBondContact NH1-OH 3.01Å; R129-Y131 PolarHBondContact O-N 3.18Å; R129-G132 CarbonylContact C-O 3.59Å; R129-G132 WeakPolarHBondContact CA-O 3.37Å; R129-G132 PolarHBondContact N-O 2.89Å; R129-G132 CarbonylContact O-C 3.24Å; R129-G132 PolarHBondContact O-N 2.53Å; R129-L172 VanDerWaalsContact O-CD1 3.29Å; R129-L172 WeakPolarHBondContact O-CD1 3.09Å
130E83.1Confident90.2Very high188 Ų18836.6 Ų36.688%0.87917%0.165SC*.THydrogen-bonded Turntrans-48.9-32.2179.5-61.3168.4-164.800114.8
131Y86.9Confident89.5Confident104 Ų10437.2 Ų37.241%0.40817%0.17SC..THydrogen-bonded Turntrans-96.2-5.8-178.562.1-100.7000114.6R129 F134 L156 H158 V159R129-Y131 HydrophobicContact CB-CD1 4.23Å; R129-Y131 HydrophobicContact CB-CE1 4.02Å; R129-Y131 WeakPolarHBondContact CD-OH 3.46Å; R129-Y131 PolarHBondContact NH1-OH 3.01Å; R129-Y131 PolarHBondContact O-N 3.18Å; Y131-F134 HydrophobicContact CE2-CE2 4.23Å; Y131-F134 HydrophobicContact CE2-CZ 4.29Å; Y131-F134 WeakPolarHBondContact OH-CE2 3.47Å; Y131-L156 HydrophobicContact CD2-CD1 4.43Å; Y131-L156 HydrophobicContact CE2-CD1 4.08Å; Y131-H158 PolarHBondContact O-ND1 3.21Å; Y131-V159 PolarHBondContact O-N 2.93Å; Y131-V159 VanDerWaalsContact O-N 3.15Å
132G88.3Confident88.6Confident0 Ų037.5 Ų37.50%017%0.173CC..EExtended strand (participates in β ladder)trans150.2172.4-174.200000113.9R129 C157R129-G132 CarbonylContact C-O 3.59Å; R129-G132 WeakPolarHBondContact CA-O 3.37Å; R129-G132 PolarHBondContact N-O 2.89Å; R129-G132 CarbonylContact O-C 3.24Å; R129-G132 PolarHBondContact O-N 2.53Å; G132-C157 CarbonylContact C-O 3.58Å; G132-C157 WeakPolarHBondContact CA-O 3.5Å
133F91.6Very high87.6Confident0 Ų040.8 Ų40.80%021%0.207CC..EExtended strand (participates in β ladder)trans-111151.3174.559.1-106.5000112.2I125 N127 I128 L135 C157 I162 L172 Y175 I181 L199I125-F133 HydrophobicContact CG1-CD2 4.4Å; I125-F133 HydrophobicContact CG2-CB 4.27Å; N127-F133 CarbonylContact O-C 3.27Å; N127-F133 VanDerWaalsContact O-CA 3.3Å; N127-F133 WeakPolarHBondContact O-CA 3.46Å; N127-F133 WeakPolarHBondContact O-CB 3.35Å; I128-F133 HydrophobicContact CB-CB 4.39Å; I128-F133 HydrophobicContact CG1-CB 4.03Å; I128-F133 HydrophobicContact CG2-CB 4.48Å; F133-L135 HydrophobicContact CD2-CD2 3.85Å; F133-L135 HydrophobicContact CD2-CG 4.12Å; F133-L135 HydrophobicContact CE2-CD1 4.35Å; F133-L135 HydrophobicContact CE2-CD2 3.73Å; F133-L135 HydrophobicContact CE2-CG 3.96Å; F133-C157 HydrophobicContact CD2-CB 3.85Å; F133-C157 HydrophobicContact CE1-CB 4.18Å; F133-C157 HydrophobicContact CE2-CB 3.37Å; F133-C157 HydrophobicContact CG-CB 4.41Å; F133-C157 HydrophobicContact CZ-CB 3.55Å; F133-C157 PolarHBondContact N-O 2.65Å; F133-C157 PolarHBondContact O-N 3.2Å; F133-I162 HydrophobicContact CD1-CD1 4.04Å; F133-I162 HydrophobicContact CE1-CD1 3.62Å; F133-I162 HydrophobicContact CE1-CG1 4.15Å; F133-L172 HydrophobicContact CD1-CD2 4.18Å; F133-Y175 HydrophobicContact CE1-CD2 4.3Å; F133-Y175 HydrophobicContact CE1-CE2 4.45Å; F133-Y175 HydrophobicContact CE1-CG 4.39Å; F133-I181 HydrophobicContact CE1-CD1 4.22Å; F133-I181 HydrophobicContact CE2-CD1 3.66Å; F133-I181 HydrophobicContact CZ-CD1 3.46Å; F133-I181 VanDerWaalsContact CZ-CD1 3.46Å; F133-L199 HydrophobicContact CZ-CD1 4.14Å
134F92.9Very high86.9Confident56 Ų5643.4 Ų43.425%0.24622%0.221CC..EExtended strand (participates in β ladder)trans-99.1129173.2-70-83.3000110.4N126 N127 Y131 A155 L156N126-F134 PolarHBondContact N-O 3.16Å; N127-F134 PolarHBondContact O-N 3.04Å; Y131-F134 HydrophobicContact CE2-CE2 4.23Å; Y131-F134 HydrophobicContact CE2-CZ 4.29Å; Y131-F134 WeakPolarHBondContact OH-CE2 3.47Å; F134-A155 WeakPolarHBondContact CA-O 3.47Å; F134-L156 HydrophobicContact CD1-CB 4.3Å; F134-L156 HydrophobicContact CD1-CD1 4.15Å; F134-L156 HydrophobicContact CE1-CB 4.17Å; F134-L156 HydrophobicContact CE1-CD1 3.93Å; F134-L156 HydrophobicContact CE1-CD2 4.48Å; F134-L156 HydrophobicContact CE1-CG 4.42Å; F134-L156 HydrophobicContact CE2-CD1 4.39Å; F134-L156 HydrophobicContact CG-CD1 4.48Å; F134-L156 HydrophobicContact CZ-CD1 4.07Å
135L93.1Very high86.5Confident1 Ų142.8 Ų42.81%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-96.7147.7168.8-58.3179000110R124 I125 F133 L137 S154 A155 I181 V197R124-L135 CarbonylContact O-C 3.6Å; R124-L135 VanDerWaalsContact O-CA 3.24Å; R124-L135 WeakPolarHBondContact O-CA 3.2Å; I125-L135 HydrophobicContact CB-CD2 4.38Å; I125-L135 HydrophobicContact CG1-CD2 3.71Å; F133-L135 HydrophobicContact CD2-CD2 3.85Å; F133-L135 HydrophobicContact CD2-CG 4.12Å; F133-L135 HydrophobicContact CE2-CD1 4.35Å; F133-L135 HydrophobicContact CE2-CD2 3.73Å; F133-L135 HydrophobicContact CE2-CG 3.96Å; L135-L137 HydrophobicContact CB-CD2 4.43Å; L135-S154 WeakPolarHBondContact O-CA 3.35Å; L135-A155 HydrophobicContact CB-CB 4.48Å; L135-A155 PolarHBondContact N-O 3.42Å; L135-A155 PolarHBondContact O-N 2.68Å; L135-I181 HydrophobicContact CD1-CB 4.45Å; L135-I181 HydrophobicContact CD1-CG2 4.19Å; L135-I181 HydrophobicContact CD2-CB 4.22Å; L135-I181 HydrophobicContact CD2-CD1 4.35Å; L135-V197 HydrophobicContact CD1-CG2 4.15Å
136T93.1Very high86.1Confident6 Ų645.1 Ų45.14%0.03723%0.229CC..EExtended strand (participates in β ladder)trans-94.5130.6145.836.60000109.3G123 R124 N126 L153G123-T136 CarbonylContact C-O 3.54Å; G123-T136 WeakPolarHBondContact CA-O 3.32Å; R124-T136 WeakPolarHBondContact CG-OG1 3.35Å; R124-T136 PolarHBondContact N-O 3.5Å; R124-T136 PolarHBondContact NE-OG1 2.84Å; R124-T136 PolarHBondContact O-N 3.11Å; N126-T136 VanDerWaalsContact ND2-CG2 3.27Å; N126-T136 WeakPolarHBondContact ND2-CG2 3.49Å; N126-T136 PolarHBondContact ND2-OG1 3.08Å; N126-T136 PolarHBondContact OD1-N 3.44Å; N126-T136 PolarHBondContact OD1-OG1 3.13Å; T136-L153 WeakPolarHBondContact CA-O 3.45Å
137L91.3Very high85.6Confident4 Ų442 Ų422%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-75144178.4-55.1-175000110.3V121 L135 I148 L153 A155 I195V121-L137 HydrophobicContact CB-CD1 4.41Å; V121-L137 HydrophobicContact CB-CD2 4Å; V121-L137 HydrophobicContact CG1-CD1 4.19Å; V121-L137 HydrophobicContact CG2-CD2 3.85Å; L135-L137 HydrophobicContact CB-CD2 4.43Å; L137-I148 HydrophobicContact CB-CD1 3.73Å; L137-L153 HydrophobicContact CB-CB 4.42Å; L137-L153 HydrophobicContact CD1-CB 4.3Å; L137-L153 HydrophobicContact CG-CB 4.46Å; L137-L153 PolarHBondContact N-O 2.96Å; L137-A155 HydrophobicContact CD1-CB 4.36Å; L137-A155 HydrophobicContact CD2-CB 3.77Å; L137-A155 HydrophobicContact CG-CB 4.15Å; L137-I195 HydrophobicContact CD1-CD1 3.71Å
138L88Confident85.3Confident8 Ų838.7 Ų38.74%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-120.5-43.5-176.8-59.9176.2000111.7V122 R124 I148 E149 L180 Y225V122-L138 PolarHBondContact O-N 3.5Å; R124-L138 HydrophobicContact CB-CD1 4.2Å; R124-L138 HydrophobicContact CG-CD1 4.36Å; R124-L138 HydrophobicContact CG-CD2 4.34Å; R124-L138 HydrophobicContact CG-CG 4.49Å; L138-I148 VanDerWaalsContact C-CG1 3.48Å; L138-I148 VanDerWaalsContact O-CG1 3.31Å; L138-I148 WeakPolarHBondContact O-CG1 3.47Å; L138-E149 HydrophobicContact CD2-CG 3.98Å; L138-L180 HydrophobicContact CD1-CD2 3.62Å; L138-Y225 HydrophobicContact CB-CE2 4.31Å
139C87.6Confident85Confident3 Ų339.3 Ų39.32%0.0220%0.196CC..EExtended strand (participates in β ladder)trans-152.1158.9175.153.80000112.9V122 Y225V122-C139 PolarHBondContact N-O 3.37Å; V122-C139 PolarHBondContact O-N 2.95Å; C139-Y225 HydrophobicContact CB-CD1 4.47Å; C139-Y225 HydrophobicContact CB-CD2 3.67Å; C139-Y225 HydrophobicContact CB-CE2 4.43Å; C139-Y225 HydrophobicContact CB-CG 3.71Å; C139-Y225 VanDerWaalsContact SG-CG 3.56Å
140M87.2Confident84.7Confident1 Ų138 Ų381%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-79.2136.3165-65.8-71-75.900109.6L115 D119 V121 L144 R146 H224L115-M140 HydrophobicContact CD1-CE 3.49Å; L115-M140 VanDerWaalsContact CD1-CE 3.49Å; L115-M140 HydrophobicContact CD1-SD 3.62Å; D119-M140 HydrophobicContact CB-CE 4.14Å; V121-M140 HydrophobicContact CG1-SD 3.72Å; M140-L144 WeakPolarHBondContact CB-O 3.49Å; M140-L144 HydrophobicContact CE-CB 4.31Å; M140-R146 HydrophobicContact CG-CB 4.22Å; M140-H224 PolarHBondContact O-CE1 2.68Å; M140-H224 PolarHBondContact O-NE2 2.67Å
141A75.3Confident84.8Confident13 Ų1329.2 Ų29.211%0.10716%0.157CC..  trans-124.926.1174.800000112.6I120 V122 P222I120-A141 HydrophobicContact CG2-CB 3.96Å; I120-A141 PolarHBondContact O-N 3.48Å; V122-A141 HydrophobicContact CG2-CB 3.7Å; A141-P222 HydrophobicContact CB-CG 3.79Å
142G72.2Confident84.7Confident6 Ų630.4 Ų30.46%0.06217%0.167CC..SBendtrans-103.9-156.8168.400000112.4I120 K145I120-G142 PolarHBondContact O-N 2.66Å; G142-K145 WeakPolarHBondContact O-CE 3.48Å
143G69.1Low84.8Confident70 Ų7030.5 Ų30.572%0.72217%0.167SC*.SBendtrans-69.1-37.6-179.600000113.8
144L78.4Confident84.8Confident55 Ų5533.7 Ų33.729%0.28819%0.19SC..SBendtrans-80.1127.3172.7-166.777.5000109.8D114 M140 R146D114-L144 HydrophobicContact CB-CD2 3.71Å; M140-L144 WeakPolarHBondContact CB-O 3.49Å; M140-L144 HydrophobicContact CE-CB 4.31Å; L144-R146 HydrophobicContact CD2-CG 3.77Å; L144-R146 HydrophobicContact CG-CG 3.94Å
145K84.3Confident84.8Confident68 Ų6831 Ų3130%0.29618%0.178SC..  trans-119.3115-179.8-65.9172.5-177.91740108.1E82 G142E82-K145 IonicContact OE1-NZ 3.96Å; E82-K145 PolarHBondContact OE1-NZ 3.15Å; G142-K145 WeakPolarHBondContact O-CE 3.48Å
146R84.2Confident84.8Confident51 Ų5132.5 Ų32.519%0.19219%0.186CC..  trans-138151.7-168.7-74.3-78.6-172.4-142.1-4.7109.5E97 M111 D114 M140 L144 I148E97-R146 VanDerWaalsContact CD-CD 3.41Å; E97-R146 WeakPolarHBondContact OE1-CD 3.34Å; E97-R146 IonicContact OE1-CZ 2.67Å; E97-R146 IonicContact OE1-NE 2.67Å; E97-R146 PolarHBondContact OE1-NE 3.17Å; E97-R146 IonicContact OE1-NH1 3.48Å; E97-R146 PolarHBondContact OE1-NH1 3.31Å; E97-R146 WeakPolarHBondContact OE2-CA 3.44Å; E97-R146 WeakPolarHBondContact OE2-CD 3.43Å; E97-R146 IonicContact OE2-NH1 2.68Å; M111-R146 HydrophobicContact CE-CB 3.39Å; M111-R146 HydrophobicContact CE-CG 3.59Å; D114-R146 IonicContact OD2-CZ 2.84Å; D114-R146 IonicContact OD2-NE 3.69Å; D114-R146 IonicContact OD2-NH2 2.64Å; D114-R146 PolarHBondContact OD2-NH2 3.34Å; M140-R146 HydrophobicContact CG-CB 4.22Å; L144-R146 HydrophobicContact CD2-CG 3.77Å; L144-R146 HydrophobicContact CG-CG 3.94Å; R146-I148 HydrophobicContact CB-CG2 4.43Å
147D81.6Confident84.7Confident12 Ų1232.2 Ų32.26%0.06418%0.184CC..BIsolated β-bridgetrans-91126.1175-178.749.5000112P95 E97 R107P95-D147 HydrophobicContact CB-CB 4.36Å; P95-D147 HydrophobicContact CG-CB 4.43Å; E97-D147 PolarHBondContact OE2-N 2.71Å; R107-D147 IonicContact NH1-OD2 2.67Å; R107-D147 PolarHBondContact NH1-OD2 3.49Å
148I84.3Confident84.7Confident0 Ų035.6 Ų35.60%020%0.199CC..  trans-140.9-5.2-170.767.9179.3000115.9M111 L137 L138 R146 D150 L151M111-I148 HydrophobicContact CE-CG2 3.43Å; M111-I148 VanDerWaalsContact CE-CG2 3.43Å; M111-I148 HydrophobicContact CG-CG2 4.29Å; M111-I148 HydrophobicContact SD-CG2 4.11Å; L137-I148 HydrophobicContact CB-CD1 3.73Å; L138-I148 VanDerWaalsContact C-CG1 3.48Å; L138-I148 VanDerWaalsContact O-CG1 3.31Å; L138-I148 WeakPolarHBondContact O-CG1 3.47Å; R146-I148 HydrophobicContact CB-CG2 4.43Å; I148-D150 PolarHBondContact O-N 3.14Å; I148-L151 HydrophobicContact CB-CD1 4.4Å; I148-L151 HydrophobicContact CG2-CD1 4.28Å; I148-L151 WeakPolarHBondContact O-CB 3.27Å; I148-L151 PolarHBondContact O-N 3.44Å
149E83.7Confident84.6Confident60 Ų6037.3 Ų37.328%0.2821%0.21SC..G310 helixtrans-64.8-41.4-177.4-177160.9-164.900111.5R124 L138 L151 E152 Y225R124-E149 IonicContact NH1-OE1 2.82Å; L138-E149 HydrophobicContact CD2-CG 3.98Å; E149-L151 PolarHBondContact O-N 3.09Å; E149-L151 VanDerWaalsContact O-N 3.15Å; E149-E152 PolarHBondContact O-N 3.28Å; E149-Y225 VanDerWaalsContact OE2-CE2 3.24Å; E149-Y225 WeakPolarHBondContact OE2-CE2 3.25Å; E149-Y225 VanDerWaalsContact OE2-CZ 3.3Å; E149-Y225 PolarHBondContact OE2-OH 2.82Å
150D83.4Confident84.4Confident93 Ų9345.8 Ų45.850%0.49725%0.247SC..G310 helixtrans-53.8-29.2170.8-77.3-5.9000114R107 I148 E152R107-D150 IonicContact CZ-OD2 2.76Å; R107-D150 IonicContact NH1-OD2 2.94Å; R107-D150 PolarHBondContact NH1-OD2 2.53Å; R107-D150 VanDerWaalsContact NH1-OD2 3.14Å; R107-D150 IonicContact NH2-OD2 3.4Å; R107-D150 PolarHBondContact NH2-OD2 3.01Å; I148-D150 PolarHBondContact O-N 3.14Å; D150-E152 VanDerWaalsContact C-N 3.32Å
151L84.4Confident84.3Confident2 Ų247 Ų471%0.0125%0.252CS..G310 helixtrans-82.7-11.4-170.6-58-177.7000113.1Y104 R107 R108 M111 I148 E149 L153Y104-L151 HydrophobicContact CD2-CD2 3.74Å; Y104-L151 HydrophobicContact CE2-CD2 3.6Å; Y104-L151 HydrophobicContact CG-CD2 4.34Å; Y104-L151 PolarHBondContact OH-O 3.07Å; Y104-L151 VanDerWaalsContact OH-O 3.11Å; R107-L151 HydrophobicContact CB-CD1 4.45Å; R107-L151 HydrophobicContact CB-CD2 4.16Å; R108-L151 HydrophobicContact CB-CD2 4.49Å; R108-L151 PolarHBondContact NH1-O 2.91Å; M111-L151 HydrophobicContact CB-CD1 4.46Å; I148-L151 HydrophobicContact CB-CD1 4.4Å; I148-L151 HydrophobicContact CG2-CD1 4.28Å; I148-L151 WeakPolarHBondContact O-CB 3.27Å; I148-L151 PolarHBondContact O-N 3.44Å; E149-L151 PolarHBondContact O-N 3.09Å; E149-L151 VanDerWaalsContact O-N 3.15Å; L151-L153 HydrophobicContact CB-CD1 4.25Å; L151-L153 HydrophobicContact CB-CD2 4.03Å; L151-L153 HydrophobicContact CB-CG 3.73Å; L151-L153 HydrophobicContact CD1-CD1 4.23Å; L151-L153 PolarHBondContact O-N 2.96Å; L151-L153 VanDerWaalsContact O-N 3.09Å
152E85.7Confident84.7Confident130 Ų13046.8 Ų46.861%0.60725%0.249SC*.THydrogen-bonded Turntrans45.436.2-177.7-60.3-154.3122.200114.3R124 E149 D150 S154R124-E152 IonicContact NH2-OE1 3.53Å; E149-E152 PolarHBondContact O-N 3.28Å; D150-E152 VanDerWaalsContact C-N 3.32Å; E152-S154 PolarHBondContact O-N 3.33Å
153L89.6Confident85.1Confident1 Ų148.9 Ų48.91%0.00526%0.262CS..  trans-64124-172.9-60.8179.4000111.8R108 M111 Y112 T136 L137 L151R108-L153 HydrophobicContact CG-CD2 4.47Å; M111-L153 HydrophobicContact CG-CD1 3.56Å; Y112-L153 HydrophobicContact CE2-CD2 4.13Å; T136-L153 WeakPolarHBondContact CA-O 3.45Å; L137-L153 HydrophobicContact CB-CB 4.42Å; L137-L153 HydrophobicContact CD1-CB 4.3Å; L137-L153 HydrophobicContact CG-CB 4.46Å; L137-L153 PolarHBondContact N-O 2.96Å; L151-L153 HydrophobicContact CB-CD1 4.25Å; L151-L153 HydrophobicContact CB-CD2 4.03Å; L151-L153 HydrophobicContact CB-CG 3.73Å; L151-L153 HydrophobicContact CD1-CD1 4.23Å; L151-L153 PolarHBondContact O-N 2.96Å; L151-L153 VanDerWaalsContact O-N 3.09Å
154S90.9Very high85.2Confident68 Ų6849.9 Ų49.948%0.47626%0.257SS..EExtended strand (participates in β ladder)trans-90.1124.6179.164.70000112.1L135 E152L135-S154 WeakPolarHBondContact O-CA 3.35Å; E152-S154 PolarHBondContact O-N 3.33Å
155A92.8Very high84.4Confident0 Ų052.8 Ų52.80%028%0.278CS..EExtended strand (participates in β ladder)trans-114.5145.9172.500000111.5F134 L135 L137 I195 V197F134-A155 WeakPolarHBondContact CA-O 3.47Å; L135-A155 HydrophobicContact CB-CB 4.48Å; L135-A155 PolarHBondContact N-O 3.42Å; L135-A155 PolarHBondContact O-N 2.68Å; L137-A155 HydrophobicContact CD1-CB 4.36Å; L137-A155 HydrophobicContact CD2-CB 3.77Å; L137-A155 HydrophobicContact CG-CB 4.15Å; A155-I195 WeakPolarHBondContact CA-O 3.33Å; A155-I195 HydrophobicContact CB-CB 4.03Å; A155-I195 HydrophobicContact CB-CG2 4.12Å; A155-V197 HydrophobicContact CB-CG1 3.97Å; A155-V197 HydrophobicContact CB-CG2 4.31Å
156L93.8Very high83Confident32 Ų3251.5 Ų51.517%0.16828%0.277CS..EExtended strand (participates in β ladder)trans-107124.9178.4176.658.4000110.8Y131 F134 I195 T196 V197Y131-L156 HydrophobicContact CD2-CD1 4.43Å; Y131-L156 HydrophobicContact CE2-CD1 4.08Å; F134-L156 HydrophobicContact CD1-CB 4.3Å; F134-L156 HydrophobicContact CD1-CD1 4.15Å; F134-L156 HydrophobicContact CE1-CB 4.17Å; F134-L156 HydrophobicContact CE1-CD1 3.93Å; F134-L156 HydrophobicContact CE1-CD2 4.48Å; F134-L156 HydrophobicContact CE1-CG 4.42Å; F134-L156 HydrophobicContact CE2-CD1 4.39Å; F134-L156 HydrophobicContact CG-CD1 4.48Å; F134-L156 HydrophobicContact CZ-CD1 4.07Å; L156-I195 PolarHBondContact N-O 3.16Å; L156-T196 WeakPolarHBondContact O-CA 3.17Å; L156-V197 PolarHBondContact O-N 3.34Å
157C91.1Very high81.7Confident0 Ų052.3 Ų52.30%029%0.291CS..EExtended strand (participates in β ladder)trans-102.9115.4165.7-162.10000109.5G132 F133 V197G132-C157 CarbonylContact C-O 3.58Å; G132-C157 WeakPolarHBondContact CA-O 3.5Å; F133-C157 HydrophobicContact CD2-CB 3.85Å; F133-C157 HydrophobicContact CE1-CB 4.18Å; F133-C157 HydrophobicContact CE2-CB 3.37Å; F133-C157 HydrophobicContact CG-CB 4.41Å; F133-C157 HydrophobicContact CZ-CB 3.55Å; F133-C157 PolarHBondContact N-O 2.65Å; F133-C157 PolarHBondContact O-N 3.2Å; C157-V197 HydrophobicContact CB-CG2 3.82Å; C157-V197 PolarHBondContact SG-O 2.59Å; C157-V197 VanDerWaalsContact SG-O 3.34Å
158H90.7Very high80.3Confident75 Ų7556.9 Ų56.935%0.34731%0.311SS..EExtended strand (participates in β ladder)trans-77.6148.1176.1-78.7-63.6000111.6Y131 K160 E161Y131-H158 PolarHBondContact O-ND1 3.21Å; H158-K160 PolarHBondContact O-N 2.89Å; H158-E161 HydrophobicContact CB-CG 4.11Å; H158-E161 WeakPolarHBondContact O-CA 3.4Å; H158-E161 VanDerWaalsContact O-CB 3.28Å; H158-E161 WeakPolarHBondContact O-CB 3.48Å; H158-E161 PolarHBondContact O-N 2.88Å
159V85.4Confident79.2Confident43 Ų4361 Ų6126%0.26133%0.333SS..G310 helixtrans-53.2-33.9178.6166.60000113.8Y131 E161 I162 P171 L172Y131-V159 PolarHBondContact O-N 2.93Å; Y131-V159 VanDerWaalsContact O-N 3.15Å; V159-E161 PolarHBondContact O-N 3.31Å; V159-I162 PolarHBondContact O-N 3.12Å; V159-P171 HydrophobicContact CG1-CG 3.87Å; V159-L172 HydrophobicContact CG2-CD1 3.81Å; V159-L172 HydrophobicContact CG2-CD2 3.88Å; V159-L172 HydrophobicContact CG2-CG 3.88Å
160K84.6Confident78.6Confident182 Ų18259.7 Ų59.779%0.79133%0.329SS*.G310 helixtrans-63.4-22.2176.1-62.8-179.2-179.6178.20113.6H158 H200H158-K160 PolarHBondContact O-N 2.89Å; K160-H200 PolarHBondContact O-NE2 3.46Å
161E84.3Confident77.9Confident26 Ų2656.8 Ų56.812%0.12132%0.315CS..G310 helixtrans-951.2-176.8-54.7-55.214100113H158 V159 K186 S198 L199 H200H158-E161 HydrophobicContact CB-CG 4.11Å; H158-E161 WeakPolarHBondContact O-CA 3.4Å; H158-E161 VanDerWaalsContact O-CB 3.28Å; H158-E161 WeakPolarHBondContact O-CB 3.48Å; H158-E161 PolarHBondContact O-N 2.88Å; V159-E161 PolarHBondContact O-N 3.31Å; E161-K186 HydrophobicContact CG-CD 4.37Å; E161-K186 IonicContact OE1-NZ 2.65Å; E161-K186 PolarHBondContact OE1-NZ 2.98Å; E161-K186 VanDerWaalsContact OE2-CD 3.23Å; E161-K186 WeakPolarHBondContact OE2-CD 3.46Å; E161-K186 IonicContact OE2-NZ 3.28Å; E161-K186 PolarHBondContact OE2-NZ 3.39Å; E161-S198 WeakPolarHBondContact CB-OG 3.27Å; E161-S198 WeakPolarHBondContact OE2-CB 3.45Å; E161-S198 PolarHBondContact OE2-OG 3.23Å; E161-L199 PolarHBondContact O-N 3.42Å; E161-H200 IonicContact OE2-CD2 2.68Å
162I84.6Confident77.6Confident9 Ų957.6 Ų57.65%0.04632%0.319CS..SBendtrans-95.5127.1175.8-55.7175.3000108.5F133 V159 S164 P171 L172 Y175 L199F133-I162 HydrophobicContact CD1-CD1 4.04Å; F133-I162 HydrophobicContact CE1-CD1 3.62Å; F133-I162 HydrophobicContact CE1-CG1 4.15Å; V159-I162 PolarHBondContact O-N 3.12Å; I162-S164 PolarHBondContact O-N 2.88Å; I162-P171 HydrophobicContact CB-CB 4.3Å; I162-P171 HydrophobicContact CG2-CB 3.92Å; I162-L172 HydrophobicContact CD1-CD2 3.67Å; I162-Y175 HydrophobicContact CG2-CE2 3.76Å; I162-L199 HydrophobicContact CG2-CD1 4.48Å
163P79.6Confident77.2Confident50 Ų5055.5 Ų55.533%0.32532%0.319SS..  trans-70.1121.8174.528-34.1000110.6T165 L199P163-T165 PolarHBondContact O-N 3.15Å; P163-L199 VanDerWaalsContact CD-CB 3.42Å; P163-L199 HydrophobicContact CG-CB 4.26Å
164S71.9Confident76.8Confident90 Ų9062.5 Ų62.563%0.62935%0.346SS*.  trans-71.890.2176.357.60000111I162 S166I162-S164 PolarHBondContact O-N 2.88Å; S164-S166 PolarHBondContact O-N 2.65Å
165T62.2Low76.5Confident117 Ų11760.1 Ų60.172%0.71833%0.327SS*.SBendtrans-60.6-31.7-179.355.20000113.2P163P163-T165 PolarHBondContact O-N 3.15Å
166S54.5Low76.3Confident41 Ų4166.8 Ų66.829%0.28736%0.358SS..SBendtrans-112.7135.6171.7174.70000110.5S164 H168 D169S164-S166 PolarHBondContact O-N 2.65Å; S166-H168 PolarHBondContact O-N 3Å; S166-H168 PolarHBondContact OG-N 3Å; S166-D169 WeakPolarHBondContact CB-OD2 3.44Å; S166-D169 PolarHBondContact OG-OD2 3.11Å
167S57.1Low76.1Confident68 Ų6871 Ų7148%0.47638%0.38SS..SBendtrans-76.829.6170.271.90000112.8R624 R625S167-R624 WeakPolarHBondContact O-CA 3.12Å; S167-R624 WeakPolarHBondContact O-CG 3.47Å; S167-R625 WeakPolarHBondContact O-CG 3.21Å
168H52.3Low75.9Confident107 Ų10773.5 Ų73.550%0.49541%0.405SS..SBendtrans-154.4-16.2-175.9-140.8-38.5000117.9S166 G623 R624S166-H168 PolarHBondContact O-N 3Å; S166-H168 PolarHBondContact OG-N 3Å; H168-G623 VanDerWaalsContact C-CA 3.46Å; H168-G623 WeakPolarHBondContact O-CA 3.48Å; H168-R624 PolarHBondContact CD2-NE 2.92Å; H168-R624 VanDerWaalsContact CD2-NE 3.34Å; H168-R624 PolarHBondContact CD2-NH2 2.9Å
169D59.8Low75.9Confident86 Ų8672 Ų7246%0.4640%0.4SS..SBendtrans-112.4172.2-170.9-54.5-71000112.1S166 G623S166-D169 WeakPolarHBondContact CB-OD2 3.44Å; S166-D169 PolarHBondContact OG-OD2 3.11Å; D169-G623 VanDerWaalsContact O-CA 3.24Å; D169-G623 WeakPolarHBondContact O-CA 3.28Å; D169-G623 PolarHBondContact O-N 3.1Å
170D71.3Confident76.2Confident34 Ų3471.2 Ų71.218%0.18239%0.394CS..  trans-69.3124.3174.1-165.9-24.3000109.9L172 S173 A622D170-L172 PolarHBondContact O-N 3.4Å; D170-L172 VanDerWaalsContact O-N 3.15Å; D170-L172 WeakPolarHBondContact OD1-CB 3.43Å; D170-L172 PolarHBondContact OD1-N 2.91Å; D170-S173 PolarHBondContact O-N 3.16Å; D170-S173 VanDerWaalsContact O-N 3.11Å; D170-S173 PolarHBondContact O-OG 3.06Å; D170-A622 HydrophobicContact CB-CB 4.41Å
171P70.2Confident76.5Confident32 Ų3262.5 Ų62.521%0.20836%0.356CS..THydrogen-bonded Turntrans-57.8-23.717224.9-34.9000113V159 I162 Y175V159-P171 HydrophobicContact CG1-CG 3.87Å; I162-P171 HydrophobicContact CB-CB 4.3Å; I162-P171 HydrophobicContact CG2-CB 3.92Å; P171-Y175 WeakPolarHBondContact O-CD2 3.23Å; P171-Y175 VanDerWaalsContact O-CE2 3.25Å; P171-Y175 WeakPolarHBondContact O-CE2 3.12Å
172L76.9Confident76.9Confident19 Ų1963.2 Ų63.210%0.09936%0.359CS..THydrogen-bonded Turntrans-79.7-26.4176.3-64.7174.6000113.6I128 R129 F133 V159 I162 D170 Y174 Y175I128-L172 HydrophobicContact CG2-CB 4.42Å; I128-L172 HydrophobicContact CG2-CD1 4.43Å; I128-L172 HydrophobicContact CG2-CD2 4.18Å; R129-L172 VanDerWaalsContact O-CD1 3.29Å; R129-L172 WeakPolarHBondContact O-CD1 3.09Å; F133-L172 HydrophobicContact CD1-CD2 4.18Å; V159-L172 HydrophobicContact CG2-CD1 3.81Å; V159-L172 HydrophobicContact CG2-CD2 3.88Å; V159-L172 HydrophobicContact CG2-CG 3.88Å; I162-L172 HydrophobicContact CD1-CD2 3.67Å; D170-L172 PolarHBondContact O-N 3.4Å; D170-L172 VanDerWaalsContact O-N 3.15Å; D170-L172 WeakPolarHBondContact OD1-CB 3.43Å; D170-L172 PolarHBondContact OD1-N 2.91Å; L172-Y174 PolarHBondContact O-N 2.81Å; L172-Y175 PolarHBondContact O-N 3.39Å; L172-Y175 VanDerWaalsContact O-N 3.12Å
173S77.6Confident77.1Confident86 Ų8662.8 Ų62.860%0.60136%0.356SS*.THydrogen-bonded Turntrans-71.7-4.1-173.464.50000115.1D170D170-S173 PolarHBondContact O-N 3.16Å; D170-S173 VanDerWaalsContact O-N 3.11Å; D170-S173 PolarHBondContact O-OG 3.06Å
174Y80.7Confident77.7Confident147 Ų14760.4 Ų60.458%0.57634%0.341SS*.THydrogen-bonded Turntrans-81.7-18.6172.9-173.6-101000113.1L172 V215L172-Y174 PolarHBondContact O-N 2.81Å; Y174-V215 HydrophobicContact CD1-CG2 4.32Å; Y174-V215 HydrophobicContact CE1-CG2 3.84Å
175Y86Confident78.6Confident18 Ų1856.1 Ų56.17%0.07131%0.311CS..  trans-111.3143.2-167.8-59.7-80.5000112.5I125 I128 F133 I162 P171 L172 I181 L199 V215I125-Y175 HydrophobicContact CD1-CD1 4.19Å; I125-Y175 HydrophobicContact CD1-CG 4.34Å; I128-Y175 VanDerWaalsContact CD1-O 3.29Å; I128-Y175 WeakPolarHBondContact CD1-O 3.44Å; F133-Y175 HydrophobicContact CE1-CD2 4.3Å; F133-Y175 HydrophobicContact CE1-CE2 4.45Å; F133-Y175 HydrophobicContact CE1-CG 4.39Å; I162-Y175 HydrophobicContact CG2-CE2 3.76Å; P171-Y175 WeakPolarHBondContact O-CD2 3.23Å; P171-Y175 VanDerWaalsContact O-CE2 3.25Å; P171-Y175 WeakPolarHBondContact O-CE2 3.12Å; L172-Y175 PolarHBondContact O-N 3.39Å; L172-Y175 VanDerWaalsContact O-N 3.12Å; Y175-I181 HydrophobicContact CD1-CD1 3.65Å; Y175-I181 HydrophobicContact CD1-CG1 4.49Å; Y175-I181 HydrophobicContact CE1-CD1 3.71Å; Y175-I181 HydrophobicContact CE1-CG1 4.45Å; Y175-L199 HydrophobicContact CE1-CD1 4.26Å; Y175-L199 VanDerWaalsContact OH-CD1 3.25Å; Y175-L199 WeakPolarHBondContact OH-CD1 3.13Å; Y175-V215 HydrophobicContact CD1-CG2 3.72Å; Y175-V215 HydrophobicContact CE1-CG2 3.58Å
176Q88.2Confident79.9Confident140 Ų14054.8 Ų54.865%0.65430%0.295SS*.  trans-124.3151.7180-56.5-170.221.600112G178 D179Q176-G178 PolarHBondContact O-N 2.83Å; Q176-D179 PolarHBondContact N-OD2 3.44Å; Q176-D179 WeakPolarHBondContact O-CB 3.44Å; Q176-D179 PolarHBondContact O-N 3.06Å; Q176-D179 VanDerWaalsContact O-N 3.08Å
177I89.6Confident81.5Confident122 Ų12256 Ų5663%0.62630%0.298SS*.THydrogen-bonded Turntrans-64.9124.4177-61.3173.3000108.7I128I128-I177 HydrophobicContact CD1-CG1 4.27Å; I128-I177 HydrophobicContact CG1-CG1 4.22Å
178G87.3Confident83.1Confident52 Ų5253.7 Ų53.754%0.53628%0.281SS..THydrogen-bonded Turntrans101-9.8-172.900000115.4I125 Q176I125-G178 PolarHBondContact O-N 2.88Å; Q176-G178 PolarHBondContact O-N 2.83Å
179D90.9Very high84.9Confident43 Ų4350.9 Ų50.923%0.2327%0.269CS..  trans-62.8145.6174.7-73.8-15.4000111.7R124 I125 Q176R124-D179 CarbonylContact C-O 3.5Å; R124-D179 VanDerWaalsContact CA-O 3.32Å; R124-D179 WeakPolarHBondContact CA-O 3.27Å; I125-D179 HydrophobicContact CD1-CB 3.94Å; I125-D179 HydrophobicContact CG1-CB 4.26Å; I125-D179 PolarHBondContact N-O 3.11Å; Q176-D179 PolarHBondContact N-OD2 3.44Å; Q176-D179 WeakPolarHBondContact O-CB 3.44Å; Q176-D179 PolarHBondContact O-N 3.06Å; Q176-D179 VanDerWaalsContact O-N 3.08Å
180L91.5Very high86.2Confident26 Ų2652.7 Ų52.714%0.13627%0.27CS..EExtended strand (participates in β ladder)trans-91.7131.8173-66.9169.2000109.7R124 L138 V215 I216 R218 L221R124-L180 HydrophobicContact CB-CD2 4.2Å; L138-L180 HydrophobicContact CD1-CD2 3.62Å; L180-V215 CarbonylContact O-C 3.52Å; L180-V215 VanDerWaalsContact O-CA 3.3Å; L180-V215 WeakPolarHBondContact O-CA 3.47Å; L180-I216 HydrophobicContact CB-CB 4.37Å; L180-I216 PolarHBondContact O-N 3.33Å; L180-R218 HydrophobicContact CD1-CG 3.89Å; L180-L221 HydrophobicContact CD1-CD1 4.12Å; L180-L221 HydrophobicContact CD1-CD2 4.27Å; L180-L221 HydrophobicContact CD1-CG 4.36Å
181I91Very high86.9Confident0 Ų060.9 Ų60.90%030%0.304CS..EExtended strand (participates in β ladder)trans-127.1136-176.7-76.2-173.3000111.3V122 G123 I125 F133 L135 Y175 A183 L199 G214 V215V122-I181 VanDerWaalsContact CA-O 3.31Å; V122-I181 WeakPolarHBondContact CA-O 3.48Å; G123-I181 PolarHBondContact N-O 3.05Å; G123-I181 PolarHBondContact O-N 2.99Å; I125-I181 HydrophobicContact CD1-CD1 3.6Å; I125-I181 HydrophobicContact CD1-CG1 4.36Å; I125-I181 HydrophobicContact CG1-CD1 3.86Å; I125-I181 HydrophobicContact CG1-CG1 4.35Å; F133-I181 HydrophobicContact CE1-CD1 4.22Å; F133-I181 HydrophobicContact CE2-CD1 3.66Å; F133-I181 HydrophobicContact CZ-CD1 3.46Å; F133-I181 VanDerWaalsContact CZ-CD1 3.46Å; L135-I181 HydrophobicContact CD1-CB 4.45Å; L135-I181 HydrophobicContact CD1-CG2 4.19Å; L135-I181 HydrophobicContact CD2-CB 4.22Å; L135-I181 HydrophobicContact CD2-CD1 4.35Å; Y175-I181 HydrophobicContact CD1-CD1 3.65Å; Y175-I181 HydrophobicContact CD1-CG1 4.49Å; Y175-I181 HydrophobicContact CE1-CD1 3.71Å; Y175-I181 HydrophobicContact CE1-CG1 4.45Å; I181-A183 HydrophobicContact CG2-CB 4.07Å; I181-L199 HydrophobicContact CG2-CD2 3.66Å; I181-G214 CarbonylContact C-O 3.56Å; I181-G214 WeakPolarHBondContact CA-O 3.48Å; I181-V215 HydrophobicContact CG1-CG2 4.35Å
182K90.8Very high87.6Confident40 Ų4064.8 Ų64.817%0.17432%0.32CS..EExtended strand (participates in β ladder)trans-94.7119.3164.6-148.3162.7-166.3173.40108.5I120 V122 L199 I211 L213 G214 I216I120-K182 HydrophobicContact CG2-CD 4.32Å; I120-K182 HydrophobicContact CG2-CG 3.57Å; V122-K182 HydrophobicContact CG2-CG 4.19Å; K182-L199 VanDerWaalsContact O-CD2 3.26Å; K182-L199 WeakPolarHBondContact O-CD2 3.32Å; K182-I211 HydrophobicContact CD-CG2 3.87Å; K182-I211 VanDerWaalsContact CE-CG2 3.45Å; K182-I211 VanDerWaalsContact NZ-CG2 3.35Å; K182-L213 HydrophobicContact CB-CD2 4.43Å; K182-L213 HydrophobicContact CG-CD2 4.3Å; K182-G214 PolarHBondContact N-O 3.22Å; K182-G214 PolarHBondContact O-N 3.03Å; K182-G214 VanDerWaalsContact O-N 3.07Å; K182-I216 HydrophobicContact CB-CD1 3.58Å; K182-I216 HydrophobicContact CB-CG1 3.83Å; K182-I216 HydrophobicContact CD-CD1 4.19Å; K182-I216 HydrophobicContact CG-CD1 4.06Å
183A90.6Very high88.1Confident0 Ų067.7 Ų67.70%033%0.332CS..EExtended strand (participates in β ladder)trans-135148.4-178.500000111.9I120 V121 I181 V197 L199I120-A183 WeakPolarHBondContact CA-O 3.43Å; V121-A183 PolarHBondContact N-O 3.34Å; V121-A183 PolarHBondContact O-N 2.87Å; I181-A183 HydrophobicContact CG2-CB 4.07Å; A183-V197 HydrophobicContact CB-CB 3.86Å; A183-V197 HydrophobicContact CB-CG2 4.1Å; A183-L199 HydrophobicContact CB-CD2 3.7Å
184G90.4Very high88.7Confident0 Ų069 Ų690%033%0.327CS..EExtended strand (participates in β ladder)trans-83.9140.2171.500000111.3D119 K186 V197 S198D119-G184 CarbonylContact O-C 3.56Å; D119-G184 WeakPolarHBondContact O-CA 3.39Å; G184-K186 PolarHBondContact O-N 3.1Å; G184-V197 CarbonylContact O-C 3.4Å; G184-V197 VanDerWaalsContact O-CA 3.28Å; G184-V197 WeakPolarHBondContact O-CA 3.26Å; G184-S198 PolarHBondContact N-O 3.04Å; G184-S198 PolarHBondContact O-N 3.44Å
185V91.1Very high89.3Confident0 Ų062.1 Ų62.10%030%0.301CS..EExtended strand (participates in β ladder)trans-77.8114.3176-178.60000109.3L115 R117 G118 D119 V121 I188 I195L115-V185 HydrophobicContact CD1-CG2 4.13Å; L115-V185 HydrophobicContact CD2-CG1 4.31Å; L115-V185 HydrophobicContact CD2-CG2 4.47Å; L115-V185 HydrophobicContact CG-CG1 4.39Å; L115-V185 HydrophobicContact CG-CG2 4.46Å; R117-V185 WeakPolarHBondContact CA-O 3.17Å; G118-V185 PolarHBondContact N-O 3.11Å; D119-V185 HydrophobicContact CB-CB 4.47Å; D119-V185 HydrophobicContact CB-CG2 4.23Å; D119-V185 PolarHBondContact O-N 2.98Å; V121-V185 HydrophobicContact CB-CG2 4.49Å; V121-V185 HydrophobicContact CG1-CG2 3.71Å; V121-V185 HydrophobicContact CG2-CG2 4.02Å; V185-I188 HydrophobicContact CG1-CD1 3.78Å; V185-I188 HydrophobicContact CG1-CG1 3.54Å; V185-I195 HydrophobicContact CG1-CG2 4.23Å
186K89.8Confident89.6Confident90 Ų9063 Ų6339%0.39131%0.308SS..EExtended strand (participates in β ladder)trans-92.3-43.9-177.2178.7169.3-174164.60112.5R117 E161 G184 T196R117-K186 VanDerWaalsContact CD-O 3.3Å; R117-K186 WeakPolarHBondContact CD-O 3.23Å; R117-K186 WeakPolarHBondContact CG-O 3.41Å; E161-K186 HydrophobicContact CG-CD 4.37Å; E161-K186 IonicContact OE1-NZ 2.65Å; E161-K186 PolarHBondContact OE1-NZ 2.98Å; E161-K186 VanDerWaalsContact OE2-CD 3.23Å; E161-K186 WeakPolarHBondContact OE2-CD 3.46Å; E161-K186 IonicContact OE2-NZ 3.28Å; E161-K186 PolarHBondContact OE2-NZ 3.39Å; G184-K186 PolarHBondContact O-N 3.1Å; K186-T196 PolarHBondContact N-O 3.12Å
187D89.1Confident89.8Confident65 Ų6556.4 Ų56.435%0.34828%0.277SS..EExtended strand (participates in β ladder)trans-151.5153.5178.3-149.8-6.6000112.8R117 T196R117-D187 IonicContact CZ-OD1 3.33Å; R117-D187 IonicContact CZ-OD2 3.45Å; R117-D187 IonicContact NE-OD1 3.03Å; R117-D187 PolarHBondContact NE-OD1 2.92Å; R117-D187 IonicContact NH2-OD1 2.64Å; R117-D187 PolarHBondContact NH2-OD1 2.85Å; R117-D187 IonicContact NH2-OD2 2.68Å; R117-D187 PolarHBondContact NH2-OD2 3.35Å; R117-D187 VanDerWaalsContact NH2-OD2 3.12Å; D187-T196 PolarHBondContact N-O 2.77Å; D187-T196 VanDerWaalsContact N-O 3.12Å; D187-T196 PolarHBondContact O-N 3.48Å
188I89.8Confident89.9Confident21 Ų2150.6 Ų50.611%0.10825%0.248CC..EExtended strand (participates in β ladder)trans-140.3105.6-172.2-48.5167.2000108.3Y112 L115 V185 R190Y112-I188 HydrophobicContact CD1-CG2 4.12Å; L115-I188 VanDerWaalsContact C-CD1 3.48Å; L115-I188 HydrophobicContact CB-CD1 3.95Å; L115-I188 HydrophobicContact CD2-CD1 3.91Å; L115-I188 HydrophobicContact CD2-CG1 4.25Å; L115-I188 HydrophobicContact CG-CD1 3.65Å; L115-I188 HydrophobicContact CG-CG1 4.49Å; L115-I188 WeakPolarHBondContact O-CD1 3.38Å; V185-I188 HydrophobicContact CG1-CD1 3.78Å; V185-I188 HydrophobicContact CG1-CG1 3.54Å; I188-R190 HydrophobicContact CG2-CG 4.08Å; I188-R190 PolarHBondContact O-N 3.42Å
189D89.4Confident90Very high48 Ų4848.4 Ų48.426%0.25722%0.223SC..EExtended strand (participates in β ladder)trans-84.2100.3168.1-170.8-27.4000109F191 Q192 E193 K194D189-F191 PolarHBondContact O-N 3.29Å; D189-F191 WeakPolarHBondContact OD1-CA 3.49Å; D189-F191 WeakPolarHBondContact OD1-CB 3.24Å; D189-F191 PolarHBondContact OD1-N 3.48Å; D189-Q192 HydrophobicContact CB-CB 4.27Å; D189-Q192 PolarHBondContact OD1-N 2.96Å; D189-Q192 VanDerWaalsContact OD2-CD 3.22Å; D189-Q192 VanDerWaalsContact OD2-CG 3.26Å; D189-Q192 WeakPolarHBondContact OD2-CG 2.98Å; D189-Q192 PolarHBondContact OD2-NE2 2.95Å; D189-E193 WeakPolarHBondContact O-CA 3.43Å; D189-E193 PolarHBondContact O-N 3.09Å; D189-K194 HydrophobicContact CB-CB 4.21Å; D189-K194 PolarHBondContact N-O 3.04Å; D189-K194 PolarHBondContact O-N 3.49Å; D189-K194 VanDerWaalsContact O-N 3.08Å
190R88.7Confident89.7Confident124 Ų12449.6 Ų49.647%0.46823%0.227SC..THydrogen-bonded Turntrans-71-13.4178.2-65.7-178.7173.8174.5-2.5113.8Y112 R113 L115 I188Y112-R190 WeakPolarHBondContact O-CD 3.17Å; Y112-R190 PolarHBondContact O-NE 2.99Å; R113-R190 PolarHBondContact O-NH2 2.79Å; L115-R190 PolarHBondContact O-NH2 3.37Å; I188-R190 HydrophobicContact CG2-CG 4.08Å; I188-R190 PolarHBondContact O-N 3.42Å
191F84.9Confident89.3Confident206 Ų20651.4 Ų51.490%0.90424%0.235SC*.THydrogen-bonded Turntrans-95.4-30177.3-64.6-79.5000112.7D189D189-F191 PolarHBondContact O-N 3.29Å; D189-F191 WeakPolarHBondContact OD1-CA 3.49Å; D189-F191 WeakPolarHBondContact OD1-CB 3.24Å; D189-F191 PolarHBondContact OD1-N 3.48Å
192Q86Confident88.7Confident114 Ų11456.1 Ų56.153%0.53327%0.274SS..THydrogen-bonded Turntrans-102.92177.6-59.6-176.359.600113.6D189 K194D189-Q192 HydrophobicContact CB-CB 4.27Å; D189-Q192 PolarHBondContact OD1-N 2.96Å; D189-Q192 VanDerWaalsContact OD2-CD 3.22Å; D189-Q192 VanDerWaalsContact OD2-CG 3.26Å; D189-Q192 WeakPolarHBondContact OD2-CG 2.98Å; D189-Q192 PolarHBondContact OD2-NE2 2.95Å; Q192-K194 VanDerWaalsContact C-N 3.33Å; Q192-K194 HydrophobicContact CB-CD 3.83Å; Q192-K194 HydrophobicContact CB-CG 4.21Å; Q192-K194 PolarHBondContact O-N 3.46Å
193E86.9Confident88.1Confident79 Ų7955.4 Ų55.437%0.36927%0.274SS..THydrogen-bonded Turntrans51.944.4-174.6-64.8-164.214700113.4R108 Y112 D189R108-E193 IonicContact CZ-OE2 3.36Å; R108-E193 VanDerWaalsContact NE-CD 3.33Å; R108-E193 IonicContact NE-OE1 2.88Å; R108-E193 PolarHBondContact NE-OE1 3.36Å; R108-E193 IonicContact NE-OE2 3.06Å; R108-E193 PolarHBondContact NE-OE2 3.06Å; R108-E193 IonicContact NH2-OE2 2.68Å; R108-E193 PolarHBondContact NH2-OE2 2.92Å; Y112-E193 HydrophobicContact CD2-CG 4.19Å; Y112-E193 HydrophobicContact CE1-CB 4.19Å; Y112-E193 HydrophobicContact CE2-CB 3.88Å; Y112-E193 HydrophobicContact CE2-CG 3.82Å; Y112-E193 PolarHBondContact OH-O 2.86Å; D189-E193 WeakPolarHBondContact O-CA 3.43Å; D189-E193 PolarHBondContact O-N 3.09Å
194K89.8Confident87.6Confident114 Ų11456.1 Ų56.150%0.49628%0.278SS..EExtended strand (participates in β ladder)trans-113.4120.7-176.8-71.2165.4-171.7172.30111.8D189 Q192D189-K194 HydrophobicContact CB-CB 4.21Å; D189-K194 PolarHBondContact N-O 3.04Å; D189-K194 PolarHBondContact O-N 3.49Å; D189-K194 VanDerWaalsContact O-N 3.08Å; Q192-K194 VanDerWaalsContact C-N 3.33Å; Q192-K194 HydrophobicContact CB-CD 3.83Å; Q192-K194 HydrophobicContact CB-CG 4.21Å; Q192-K194 PolarHBondContact O-N 3.46Å
195I92.8Very high87Confident3 Ų358 Ų582%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-101.4125.5175.5-51175.1000108.9Y112 L115 L137 A155 L156 V185 V197Y112-I195 HydrophobicContact CE1-CD1 3.98Å; Y112-I195 HydrophobicContact CE1-CG1 3.72Å; L115-I195 HydrophobicContact CD2-CD1 3.85Å; L115-I195 HydrophobicContact CD2-CG1 4.24Å; L115-I195 HydrophobicContact CD2-CG2 4.2Å; L137-I195 HydrophobicContact CD1-CD1 3.71Å; A155-I195 WeakPolarHBondContact CA-O 3.33Å; A155-I195 HydrophobicContact CB-CB 4.03Å; A155-I195 HydrophobicContact CB-CG2 4.12Å; L156-I195 PolarHBondContact N-O 3.16Å; V185-I195 HydrophobicContact CG1-CG2 4.23Å; I195-V197 HydrophobicContact CG2-CG1 4.08Å
196T92.6Very high86Confident37 Ų3762.9 Ų62.923%0.22732%0.322CS..EExtended strand (participates in β ladder)trans-110.5125.3175.1-53.50000109.4L156 K186 D187L156-T196 WeakPolarHBondContact O-CA 3.17Å; K186-T196 PolarHBondContact N-O 3.12Å; D187-T196 PolarHBondContact N-O 2.77Å; D187-T196 VanDerWaalsContact N-O 3.12Å; D187-T196 PolarHBondContact O-N 3.48Å
197V93.1Very high85Confident0 Ų063.3 Ų63.30%033%0.329CS..EExtended strand (participates in β ladder)trans-118.7155-175-63.20000112.5V121 L135 A155 L156 C157 A183 G184 I195V121-V197 HydrophobicContact CG2-CG1 3.79Å; L135-V197 HydrophobicContact CD1-CG2 4.15Å; A155-V197 HydrophobicContact CB-CG1 3.97Å; A155-V197 HydrophobicContact CB-CG2 4.31Å; L156-V197 PolarHBondContact O-N 3.34Å; C157-V197 HydrophobicContact CB-CG2 3.82Å; C157-V197 PolarHBondContact SG-O 2.59Å; C157-V197 VanDerWaalsContact SG-O 3.34Å; A183-V197 HydrophobicContact CB-CB 3.86Å; A183-V197 HydrophobicContact CB-CG2 4.1Å; G184-V197 CarbonylContact O-C 3.4Å; G184-V197 VanDerWaalsContact O-CA 3.28Å; G184-V197 WeakPolarHBondContact O-CA 3.26Å; I195-V197 HydrophobicContact CG2-CG1 4.08Å
198S91.5Very high84.2Confident1 Ų161.5 Ų61.51%0.00732%0.319CS..EExtended strand (participates in β ladder)trans-132.7150.9-178.2-168.80000111.5E161 G184 H200E161-S198 WeakPolarHBondContact CB-OG 3.27Å; E161-S198 WeakPolarHBondContact OE2-CB 3.45Å; E161-S198 PolarHBondContact OE2-OG 3.23Å; G184-S198 PolarHBondContact N-O 3.04Å; G184-S198 PolarHBondContact O-N 3.44Å; S198-H200 PolarHBondContact OG-N 2.91Å
199L88.5Confident83.3Confident6 Ų664.5 Ų64.53%0.03134%0.335CS..  trans-105.93175.5-61.9-176.8000112F133 E161 I162 P163 Y175 I181 K182 A183F133-L199 HydrophobicContact CZ-CD1 4.14Å; E161-L199 PolarHBondContact O-N 3.42Å; I162-L199 HydrophobicContact CG2-CD1 4.48Å; P163-L199 VanDerWaalsContact CD-CB 3.42Å; P163-L199 HydrophobicContact CG-CB 4.26Å; Y175-L199 HydrophobicContact CE1-CD1 4.26Å; Y175-L199 VanDerWaalsContact OH-CD1 3.25Å; Y175-L199 WeakPolarHBondContact OH-CD1 3.13Å; I181-L199 HydrophobicContact CG2-CD2 3.66Å; K182-L199 VanDerWaalsContact O-CD2 3.26Å; K182-L199 WeakPolarHBondContact O-CD2 3.32Å; A183-L199 HydrophobicContact CB-CD2 3.7Å
200H86Confident82.4Confident67 Ų6767 Ų6731%0.3135%0.345SS..SBendtrans-79.3125.1172.5-65.6-60.1000110.3K160 E161 S198 A202 S203K160-H200 PolarHBondContact O-NE2 3.46Å; E161-H200 IonicContact OE2-CD2 2.68Å; S198-H200 PolarHBondContact OG-N 2.91Å; H200-A202 PolarHBondContact O-N 3.47Å; H200-S203 PolarHBondContact O-N 3.34Å; H200-S203 PolarHBondContact O-OG 3.03Å
201Q81.8Confident81.8Confident65 Ų6562.2 Ų62.230%0.30433%0.328SS..G310 helixtrans-52.9-25.8178.3-153.969.310.800113.9S203 L204 L209 I211Q201-S203 PolarHBondContact O-N 3.2Å; Q201-L204 HydrophobicContact CG-CD1 4.5Å; Q201-L204 PolarHBondContact O-N 3.44Å; Q201-L209 PolarHBondContact NE2-O 2.8Å; Q201-L209 WeakPolarHBondContact O-CD2 3.47Å; Q201-I211 PolarHBondContact NE2-O 3.19Å
202A78.9Confident81.7Confident99 Ų9961.1 Ų61.182%0.81832%0.323SS*.G310 helixtrans-72.5-5.6177.200000114.8H200 L204H200-A202 PolarHBondContact O-N 3.47Å; A202-L204 VanDerWaalsContact C-N 3.34Å
203S78.7Confident81.6Confident24 Ų2457 Ų5717%0.16831%0.305CS..G310 helixtrans-91.38173.682.40000113.6G118 H200 Q201G118-S203 WeakPolarHBondContact CA-O 3.38Å; H200-S203 PolarHBondContact O-N 3.34Å; H200-S203 PolarHBondContact O-OG 3.03Å; Q201-S203 PolarHBondContact O-N 3.2Å
204L79.6Confident81.6Confident16 Ų1654 Ų548%0.08430%0.295CS..SBendtrans-98.5149.8-177.3-63.4-178.1000112.4I120 Q201 A202 L209 L213I120-L204 HydrophobicContact CD1-CD1 4.24Å; I120-L204 HydrophobicContact CD1-CD2 4.02Å; I120-L204 HydrophobicContact CG1-CD2 3.52Å; Q201-L204 HydrophobicContact CG-CD1 4.5Å; Q201-L204 PolarHBondContact O-N 3.44Å; A202-L204 VanDerWaalsContact C-N 3.34Å; L204-L209 HydrophobicContact CB-CD2 4.22Å; L204-L213 HydrophobicContact CD1-CD1 4.12Å; L204-L213 HydrophobicContact CD1-CD2 4.22Å; L204-L213 HydrophobicContact CD1-CG 4.09Å; L204-L213 HydrophobicContact CD2-CD1 4.06Å; L204-L213 HydrophobicContact CD2-CD2 4.23Å; L204-L213 HydrophobicContact CG-CD1 4.08Å
205S77.3Confident81.4Confident40 Ų4051.4 Ų51.428%0.2829%0.289SS..  trans-56.2144.1165.2-69.80000110.7G118 N207 L208G118-S205 WeakPolarHBondContact CA-OG 3.44Å; G118-S205 PolarHBondContact O-N 3.03Å; G118-S205 PolarHBondContact O-OG 2.99Å; S205-N207 PolarHBondContact O-N 2.81Å; S205-N207 VanDerWaalsContact O-N 3.1Å; S205-L208 PolarHBondContact O-N 3.42Å
206P71.1Confident81.2Confident101 Ų10152.3 Ų52.366%0.65629%0.293SS*.G310 helixtrans-57.3-33.8-172.320.4-32.3000113.5L208 L209P206-L208 PolarHBondContact O-N 2.89Å; P206-L209 HydrophobicContact CB-CD1 4.45Å; P206-L209 WeakPolarHBondContact O-CG 3.22Å
207N69.6Low81Confident100 Ų10054 Ų5454%0.53530%0.304SS..G310 helixtrans-69.6-13.8178.8-55.227.2000113.6Q79 S205 H210Q79-N207 PolarHBondContact OE1-ND2 3.04Å; S205-N207 PolarHBondContact O-N 2.81Å; S205-N207 VanDerWaalsContact O-N 3.1Å; N207-H210 PolarHBondContact O-CE1 2.78Å
208L71.1Confident80.5Confident26 Ų2664 Ų6414%0.13634%0.341CS..G310 helixtrans-111.43.8-175.8-57.1179.4000113I120 S205 P206 H210 I211I120-L208 HydrophobicContact CD1-CB 4.03Å; I120-L208 HydrophobicContact CD1-CD1 4.14Å; I120-L208 HydrophobicContact CG1-CD1 4.08Å; S205-L208 PolarHBondContact O-N 3.42Å; P206-L208 PolarHBondContact O-N 2.89Å; L208-H210 PolarHBondContact O-N 2.75Å; L208-I211 HydrophobicContact CD2-CD1 4.12Å; L208-I211 PolarHBondContact O-N 2.93Å
209L71.6Confident79.9Confident85 Ų8572.6 Ų72.645%0.44538%0.381SS..THydrogen-bonded Turntrans-61.8-16.9-175.6-73.7171.3000114.5Q201 L204 P206Q201-L209 PolarHBondContact NE2-O 2.8Å; Q201-L209 WeakPolarHBondContact O-CD2 3.47Å; L204-L209 HydrophobicContact CB-CD2 4.22Å; P206-L209 HydrophobicContact CB-CD1 4.45Å; P206-L209 WeakPolarHBondContact O-CG 3.22Å
210H69.5Low79.6Confident99 Ų9977 Ų7746%0.45841%0.405SS..THydrogen-bonded Turntrans-74.1-23.4173.858.9-109.5000113.2D81 N207 L208 K212D81-H210 IonicContact OD1-CE1 2.65Å; D81-H210 PolarHBondContact OD1-CE1 2.84Å; D81-H210 IonicContact OD1-CG 2.75Å; D81-H210 IonicContact OD1-ND1 2.81Å; D81-H210 PolarHBondContact OD1-ND1 2.91Å; N207-H210 PolarHBondContact O-CE1 2.78Å; L208-H210 PolarHBondContact O-N 2.75Å; H210-K212 PolarHBondContact O-N 2.97Å
211I77.6Confident79.5Confident24 Ų2474.9 Ų74.912%0.12340%0.396CS..SBendtrans-82.3109.7-173-54.5-176.4000110.8I120 K182 Q201 L208 L213I120-I211 HydrophobicContact CD1-CB 3.8Å; I120-I211 HydrophobicContact CD1-CD1 3.85Å; I120-I211 HydrophobicContact CD1-CG1 4.31Å; I120-I211 HydrophobicContact CD1-CG2 3.85Å; K182-I211 HydrophobicContact CD-CG2 3.87Å; K182-I211 VanDerWaalsContact CE-CG2 3.45Å; K182-I211 VanDerWaalsContact NZ-CG2 3.35Å; Q201-I211 PolarHBondContact NE2-O 3.19Å; L208-I211 HydrophobicContact CD2-CD1 4.12Å; L208-I211 PolarHBondContact O-N 2.93Å; I211-L213 PolarHBondContact O-N 3.35Å
212K81Confident79.6Confident183 Ų18372.7 Ų72.780%0.79639%0.387SS*.  trans-61.9130.7178.6-63.3167.4-170.9155.30111.6H210H210-K212 PolarHBondContact O-N 2.97Å
213L85.3Confident79.8Confident29 Ų2971.2 Ų71.215%0.15237%0.368CS..  trans-89155.9170-58.1-177.6000111.7I120 K182 L204 I211I120-L213 HydrophobicContact CG2-CD2 4.49Å; K182-L213 HydrophobicContact CB-CD2 4.43Å; K182-L213 HydrophobicContact CG-CD2 4.3Å; L204-L213 HydrophobicContact CD1-CD1 4.12Å; L204-L213 HydrophobicContact CD1-CD2 4.22Å; L204-L213 HydrophobicContact CD1-CG 4.09Å; L204-L213 HydrophobicContact CD2-CD1 4.06Å; L204-L213 HydrophobicContact CD2-CD2 4.23Å; L204-L213 HydrophobicContact CG-CD1 4.08Å; I211-L213 PolarHBondContact O-N 3.35Å
214G85.4Confident80.1Confident15 Ų1570.4 Ų70.416%0.15536%0.362CS..EExtended strand (participates in β ladder)trans136-158.8-178.200000113.6I181 K182I181-G214 CarbonylContact C-O 3.56Å; I181-G214 WeakPolarHBondContact CA-O 3.48Å; K182-G214 PolarHBondContact N-O 3.22Å; K182-G214 PolarHBondContact O-N 3.03Å; K182-G214 VanDerWaalsContact O-N 3.07Å
215V87.2Confident80.4Confident60 Ų6070.6 Ų70.636%0.36436%0.362SS..EExtended strand (participates in β ladder)trans-74.5138.7176.6-178.40000110.3Y174 Y175 L180 I181Y174-V215 HydrophobicContact CD1-CG2 4.32Å; Y174-V215 HydrophobicContact CE1-CG2 3.84Å; Y175-V215 HydrophobicContact CD1-CG2 3.72Å; Y175-V215 HydrophobicContact CE1-CG2 3.58Å; L180-V215 CarbonylContact O-C 3.52Å; L180-V215 VanDerWaalsContact O-CA 3.3Å; L180-V215 WeakPolarHBondContact O-CA 3.47Å; I181-V215 HydrophobicContact CG1-CG2 4.35Å
216I88.6Confident80.8Confident21 Ų2170.7 Ų70.711%0.10836%0.362CS..EExtended strand (participates in β ladder)trans-113.7151.5179.3-30.8178.8000109.6V122 L180 K182 D220V122-I216 HydrophobicContact CB-CD1 4.33Å; V122-I216 HydrophobicContact CG1-CD1 3.66Å; V122-I216 HydrophobicContact CG2-CD1 3.76Å; L180-I216 HydrophobicContact CB-CB 4.37Å; L180-I216 PolarHBondContact O-N 3.33Å; K182-I216 HydrophobicContact CB-CD1 3.58Å; K182-I216 HydrophobicContact CB-CG1 3.83Å; K182-I216 HydrophobicContact CD-CD1 4.19Å; K182-I216 HydrophobicContact CG-CD1 4.06Å; I216-D220 HydrophobicContact CG2-CB 3.61Å; I216-D220 WeakPolarHBondContact CG2-OD2 3.12Å
217T86.9Confident81.5Confident73 Ų7367.9 Ų67.945%0.44834%0.338SS..  trans-81.8-177.5162.779.90000110.8E219 D220T217-E219 VanDerWaalsContact C-N 3.29Å; T217-E219 PolarHBondContact OG1-N 3.22Å; T217-D220 WeakPolarHBondContact CA-OD2 3.48Å; T217-D220 VanDerWaalsContact CB-OD2 3.25Å; T217-D220 WeakPolarHBondContact CB-OD2 3.46Å; T217-D220 WeakPolarHBondContact CG2-OD2 3.41Å; T217-D220 PolarHBondContact N-OD2 3.25Å; T217-D220 PolarHBondContact OG1-N 3.04Å; T217-D220 PolarHBondContact OG1-OD2 3.4Å
218R82.4Confident82.3Confident209 Ų20963.4 Ų63.479%0.78932%0.315SS*.SBendtrans-78.1-14.3170-71.4-175.5176.7-165.7-2.5113.5L180 L221L180-R218 HydrophobicContact CD1-CG 3.89Å; R218-L221 HydrophobicContact CB-CD1 4.35Å; R218-L221 HydrophobicContact CG-CD1 4.47Å
219E80.7Confident83Confident182 Ų18265.3 Ų65.385%0.8533%0.328SS*.SBendtrans-86.4-34.3-177.4-64.7176.1-169.900110.8T217 L221T217-E219 VanDerWaalsContact C-N 3.29Å; T217-E219 PolarHBondContact OG1-N 3.22Å; E219-L221 PolarHBondContact O-N 3.07Å
220D82.1Confident83.6Confident98 Ų9868.3 Ų68.352%0.52433%0.333SS..SBendtrans-84.617.1174.1-5-101.3000113.7I216 T217I216-D220 HydrophobicContact CG2-CB 3.61Å; I216-D220 WeakPolarHBondContact CG2-OD2 3.12Å; T217-D220 WeakPolarHBondContact CA-OD2 3.48Å; T217-D220 VanDerWaalsContact CB-OD2 3.25Å; T217-D220 WeakPolarHBondContact CB-OD2 3.46Å; T217-D220 WeakPolarHBondContact CG2-OD2 3.41Å; T217-D220 PolarHBondContact N-OD2 3.25Å; T217-D220 PolarHBondContact OG1-N 3.04Å; T217-D220 PolarHBondContact OG1-OD2 3.4Å
221L83.8Confident84.2Confident24 Ų2464.2 Ų64.213%0.12632%0.316CS..SBendtrans-71.8145171.2-79.6173.6000111V122 L180 R218 E219 T223 Y225V122-L221 HydrophobicContact CG1-CD2 3.87Å; L180-L221 HydrophobicContact CD1-CD1 4.12Å; L180-L221 HydrophobicContact CD1-CD2 4.27Å; L180-L221 HydrophobicContact CD1-CG 4.36Å; R218-L221 HydrophobicContact CB-CD1 4.35Å; R218-L221 HydrophobicContact CG-CD1 4.47Å; E219-L221 PolarHBondContact O-N 3.07Å; L221-T223 PolarHBondContact O-N 3.27Å; L221-Y225 HydrophobicContact CB-CD1 4.49Å; L221-Y225 HydrophobicContact CD1-CD1 4.36Å; L221-Y225 HydrophobicContact CD1-CE1 4.14Å; L221-Y225 HydrophobicContact CD2-CD1 4.31Å; L221-Y225 HydrophobicContact CD2-CE1 4.38Å
222P84Confident84.4Confident19 Ų1966.6 Ų66.612%0.12334%0.34CS..  trans-57.1131.1-178.5-25.134.2000112.9A141 H224 Y225 S226A141-P222 HydrophobicContact CB-CG 3.79Å; P222-H224 WeakPolarHBondContact CB-CE1 3.4Å; P222-H224 WeakPolarHBondContact CB-ND1 3.01Å; P222-H224 PolarHBondContact O-N 3.03Å; P222-H224 VanDerWaalsContact O-N 3.12Å; P222-Y225 WeakPolarHBondContact O-CA 3.31Å; P222-Y225 WeakPolarHBondContact O-CB 3.31Å; P222-Y225 PolarHBondContact O-N 2.88Å; P222-S226 PolarHBondContact O-N 3.42Å
223T82.3Confident84.5Confident68 Ų6861.6 Ų61.642%0.41733%0.333SS..THydrogen-bonded Turntrans-56.3-33.5-176.751.30000113.6L221 R227L221-T223 PolarHBondContact O-N 3.27Å; T223-R227 WeakPolarHBondContact O-CD 3.49Å; T223-R227 VanDerWaalsContact O-CG 3.28Å; T223-R227 WeakPolarHBondContact O-CG 3.37Å; T223-R227 PolarHBondContact O-N 3.07Å
224H85.1Confident84.4Confident6 Ų664.9 Ų64.93%0.02835%0.35CS..THydrogen-bonded Turntrans-67.3-34.3174.972.6-92.5000112.9I92 M140 P222 R227 S228I92-H224 HydrophobicContact CG2-CB 4.05Å; M140-H224 PolarHBondContact O-CE1 2.68Å; M140-H224 PolarHBondContact O-NE2 2.67Å; P222-H224 WeakPolarHBondContact CB-CE1 3.4Å; P222-H224 WeakPolarHBondContact CB-ND1 3.01Å; P222-H224 PolarHBondContact O-N 3.03Å; P222-H224 VanDerWaalsContact O-N 3.12Å; H224-R227 PolarHBondContact O-N 3.44Å; H224-S228 PolarHBondContact O-N 3.04Å
225Y85.9Confident84Confident21 Ų2170.6 Ų70.68%0.08239%0.388CS..Hα-helixtrans-75.4-41.6176.3172.2-112.1000111.3L138 C139 E149 L221 P222 R227 S228 V229L138-Y225 HydrophobicContact CB-CE2 4.31Å; C139-Y225 HydrophobicContact CB-CD1 4.47Å; C139-Y225 HydrophobicContact CB-CD2 3.67Å; C139-Y225 HydrophobicContact CB-CE2 4.43Å; C139-Y225 HydrophobicContact CB-CG 3.71Å; C139-Y225 VanDerWaalsContact SG-CG 3.56Å; E149-Y225 VanDerWaalsContact OE2-CE2 3.24Å; E149-Y225 WeakPolarHBondContact OE2-CE2 3.25Å; E149-Y225 VanDerWaalsContact OE2-CZ 3.3Å; E149-Y225 PolarHBondContact OE2-OH 2.82Å; L221-Y225 HydrophobicContact CB-CD1 4.49Å; L221-Y225 HydrophobicContact CD1-CD1 4.36Å; L221-Y225 HydrophobicContact CD1-CE1 4.14Å; L221-Y225 HydrophobicContact CD2-CD1 4.31Å; L221-Y225 HydrophobicContact CD2-CE1 4.38Å; P222-Y225 WeakPolarHBondContact O-CA 3.31Å; P222-Y225 WeakPolarHBondContact O-CB 3.31Å; P222-Y225 PolarHBondContact O-N 2.88Å; Y225-R227 PolarHBondContact O-N 3.15Å; Y225-S228 WeakPolarHBondContact CA-OG 3.29Å; Y225-S228 PolarHBondContact O-N 3.19Å; Y225-S228 VanDerWaalsContact O-N 3.11Å; Y225-S228 PolarHBondContact O-OG 3.24Å; Y225-V229 HydrophobicContact CD2-CG2 4.04Å; Y225-V229 HydrophobicContact CE1-CG2 4.14Å; Y225-V229 HydrophobicContact CE2-CG2 3.52Å; Y225-V229 WeakPolarHBondContact O-CG2 3.4Å; Y225-V229 PolarHBondContact O-N 3.22Å
226S85.6Confident83.7Confident42 Ų4271.1 Ų71.129%0.29439%0.394SS..Hα-helixtrans-61.3-13.7170.2-57.80000113.9P222 R230P222-S226 PolarHBondContact O-N 3.42Å; S226-R230 WeakPolarHBondContact O-CD 3.16Å; S226-R230 WeakPolarHBondContact O-CG 3.47Å; S226-R230 PolarHBondContact O-NE 3.15Å
227R86Confident83.5Confident41 Ų4171.7 Ų71.716%0.15540%0.396CS..Hα-helixtrans-93.5-39.6171.3-71.4168.3-177.1-166.3-5.1112.5E88 I92 P94 T223 H224 Y225 V229 R230 A231 C246E88-R227 IonicContact OE1-CZ 3.21Å; E88-R227 IonicContact OE1-NH2 2.69Å; E88-R227 PolarHBondContact OE1-NH2 2.9Å; E88-R227 IonicContact OE2-CZ 2.9Å; E88-R227 IonicContact OE2-NH1 3.6Å; E88-R227 PolarHBondContact OE2-NH1 2.9Å; E88-R227 IonicContact OE2-NH2 4Å; E88-R227 PolarHBondContact OE2-NH2 2.86Å; I92-R227 WeakPolarHBondContact O-CD 3.33Å; I92-R227 PolarHBondContact O-NH1 3.42Å; P94-R227 HydrophobicContact CB-CB 4.25Å; P94-R227 HydrophobicContact CG-CB 4.21Å; T223-R227 WeakPolarHBondContact O-CD 3.49Å; T223-R227 VanDerWaalsContact O-CG 3.28Å; T223-R227 WeakPolarHBondContact O-CG 3.37Å; T223-R227 PolarHBondContact O-N 3.07Å; H224-R227 PolarHBondContact O-N 3.44Å; Y225-R227 PolarHBondContact O-N 3.15Å; R227-V229 PolarHBondContact O-N 3.33Å; R227-R230 PolarHBondContact O-N 2.94Å; R227-A231 PolarHBondContact O-N 2.83Å; R227-A231 VanDerWaalsContact O-N 3.11Å; R227-C246 PolarHBondContact NH1-SG 2.9Å
228S86.1Confident83.4Confident6 Ų671.7 Ų71.74%0.04240%0.396CS..Hα-helixtrans-63.4-41.7176.4610000112.1H224 Y225 R230 A231 A232H224-S228 PolarHBondContact O-N 3.04Å; Y225-S228 WeakPolarHBondContact CA-OG 3.29Å; Y225-S228 PolarHBondContact O-N 3.19Å; Y225-S228 VanDerWaalsContact O-N 3.11Å; Y225-S228 PolarHBondContact O-OG 3.24Å; S228-R230 PolarHBondContact O-N 3.01Å; S228-A231 PolarHBondContact O-N 2.99Å; S228-A232 WeakPolarHBondContact O-CB 3.29Å; S228-A232 PolarHBondContact O-N 3.07Å
229V85.6Confident83.7Confident66 Ų6666 Ų6640%0.438%0.376SS..Hα-helixtrans-60.6-28.9176.8175.20000112.7Y225 R227 A233Y225-V229 HydrophobicContact CD2-CG2 4.04Å; Y225-V229 HydrophobicContact CE1-CG2 4.14Å; Y225-V229 HydrophobicContact CE2-CG2 3.52Å; Y225-V229 WeakPolarHBondContact O-CG2 3.4Å; Y225-V229 PolarHBondContact O-N 3.22Å; R227-V229 PolarHBondContact O-N 3.33Å; V229-A233 WeakPolarHBondContact O-CB 3.25Å; V229-A233 PolarHBondContact O-N 3Å
230R83.7Confident84Confident148 Ų14864 Ų6456%0.55837%0.366SS*.Hα-helixtrans-77.4-48.3175.1-66.5176.5-173.5173.83.6111.4S226 R227 S228 A232 A233 D234S226-R230 WeakPolarHBondContact O-CD 3.16Å; S226-R230 WeakPolarHBondContact O-CG 3.47Å; S226-R230 PolarHBondContact O-NE 3.15Å; R227-R230 PolarHBondContact O-N 2.94Å; S228-R230 PolarHBondContact O-N 3.01Å; R230-A232 VanDerWaalsContact C-N 3.26Å; R230-A232 PolarHBondContact O-N 2.85Å; R230-A233 PolarHBondContact O-N 2.76Å; R230-D234 PolarHBondContact O-N 2.75Å
231A83.8Confident84.3Confident13 Ų1365.9 Ų65.911%0.10737%0.366CS..Hα-helixtrans-62.3-32.2178.100000113L98 F99 R227 S228 E237 I242L98-A231 HydrophobicContact CD2-CB 3.72Å; F99-A231 HydrophobicContact CE1-CB 4.36Å; F99-A231 HydrophobicContact CZ-CB 4.36Å; R227-A231 PolarHBondContact O-N 2.83Å; R227-A231 VanDerWaalsContact O-N 3.11Å; S228-A231 PolarHBondContact O-N 2.99Å; A231-E237 HydrophobicContact CB-CB 4.48Å; A231-I242 HydrophobicContact CB-CD1 3.69Å
232A80.8Confident84.5Confident75 Ų7565.3 Ų65.362%0.6236%0.363SS*.Hα-helixtrans-72.8-25.8172.900000113.5S228 R230S228-A232 WeakPolarHBondContact O-CB 3.29Å; S228-A232 PolarHBondContact O-N 3.07Å; R230-A232 VanDerWaalsContact C-N 3.26Å; R230-A232 PolarHBondContact O-N 2.85Å
233A83.4Confident84.7Confident78 Ų7866.1 Ų66.165%0.64537%0.366SS*.Hα-helixtrans-84.7-41.9177.900000112.6V229 R230V229-A233 WeakPolarHBondContact O-CB 3.25Å; V229-A233 PolarHBondContact O-N 3Å; R230-A233 PolarHBondContact O-N 2.76Å
234D83.7Confident85Confident97 Ų9766 Ų6652%0.51937%0.365SS..  trans-105.695.7-176.1-79.8-38.2000111.5R230 S236 E237R230-D234 PolarHBondContact O-N 2.75Å; D234-S236 PolarHBondContact O-N 3.5Å; D234-E237 HydrophobicContact CB-CG 4.07Å; D234-E237 PolarHBondContact O-N 2.82Å
235S77.3Confident85Confident136 Ų13673.8 Ų73.895%0.95139%0.394SS*.THydrogen-bonded Turntrans-62.89.6179.8620000116.3
236S81.1Confident85.1Confident70 Ų7073 Ų7349%0.4939%0.392SS..THydrogen-bonded Turntrans-106.8-7.2169.583.70000113.9D234 T238 R241D234-S236 PolarHBondContact O-N 3.5Å; S236-T238 PolarHBondContact O-N 2.82Å; S236-T238 VanDerWaalsContact O-N 3.16Å; S236-R241 WeakPolarHBondContact O-CD 3.41Å; S236-R241 PolarHBondContact O-NH1 3.46Å; S236-R241 PolarHBondContact OG-NH1 2.92Å
237E82.4Confident85Confident33 Ų3377.7 Ų77.715%0.15441%0.409CS..  trans-79.991174.8-69-151.8138.700110.8A231 D234 I242 R245A231-E237 HydrophobicContact CB-CB 4.48Å; D234-E237 HydrophobicContact CB-CG 4.07Å; D234-E237 PolarHBondContact O-N 2.82Å; E237-I242 HydrophobicContact CB-CD1 4.07Å; E237-I242 HydrophobicContact CB-CG1 4.05Å; E237-R245 IonicContact OE1-NH1 2.78Å; E237-R245 PolarHBondContact OE1-NH1 2.97Å
238T86.6Confident84.9Confident73 Ų7375.7 Ų75.745%0.44840%0.401SS..  trans-77.8157.8169.766.70000111.2S236 E240 R241 I242S236-T238 PolarHBondContact O-N 2.82Å; S236-T238 VanDerWaalsContact O-N 3.16Å; T238-E240 PolarHBondContact O-N 3.29Å; T238-E240 VanDerWaalsContact O-N 3.16Å; T238-R241 PolarHBondContact O-N 2.95Å; T238-R241 WeakPolarHBondContact OG1-CG 3.49Å; T238-I242 PolarHBondContact O-N 3.01Å
239Y87.3Confident84.9Confident91 Ų9181.5 Ų81.536%0.35742%0.423SS..Hα-helixtrans-47.4-44.3176-178.5-89.2000112.9M93 V96 F99 I242 L243M93-Y239 HydrophobicContact CB-CE2 4.19Å; M93-Y239 HydrophobicContact CE-CD1 4.19Å; M93-Y239 HydrophobicContact CE-CD2 3.51Å; M93-Y239 HydrophobicContact CE-CE1 4.14Å; M93-Y239 HydrophobicContact CE-CE2 3.46Å; M93-Y239 VanDerWaalsContact CE-CE2 3.46Å; M93-Y239 HydrophobicContact CE-CG 3.88Å; M93-Y239 VanDerWaalsContact CE-O 3.23Å; M93-Y239 WeakPolarHBondContact CE-O 3.25Å; M93-Y239 HydrophobicContact CG-CE2 4.08Å; V96-Y239 HydrophobicContact CG2-CE2 4.38Å; F99-Y239 AromaticContact CD2-CD2 3.77Å; F99-Y239 HydrophobicContact CD2-CD2 3.77Å; F99-Y239 HydrophobicContact CD2-CG 4.47Å; F99-Y239 AromaticContact CE2-CD2 3.75Å; F99-Y239 HydrophobicContact CE2-CD2 3.75Å; F99-Y239 HydrophobicContact CG-CD2 4.47Å; F99-Y239 HydrophobicContact CZ-CD2 4.42Å; Y239-I242 PolarHBondContact O-N 3.42Å; Y239-L243 HydrophobicContact CE1-CD2 4.23Å; Y239-L243 VanDerWaalsContact O-CB 3.29Å; Y239-L243 WeakPolarHBondContact O-CB 3.45Å; Y239-L243 PolarHBondContact O-N 2.95Å
240E88Confident84.8Confident138 Ų13885.3 Ų85.365%0.64544%0.436SS*.Hα-helixtrans-65.2-38.9178.3-175.1179.1-161.900113.2T238 L243 T244T238-E240 PolarHBondContact O-N 3.29Å; T238-E240 VanDerWaalsContact O-N 3.16Å; E240-L243 PolarHBondContact O-N 2.84Å; E240-T244 WeakPolarHBondContact O-CB 3.48Å; E240-T244 WeakPolarHBondContact O-CG2 3.39Å; E240-T244 PolarHBondContact O-N 2.85Å; E240-T244 PolarHBondContact O-OG1 2.85Å
241R88Confident84.8Confident139 Ų13980.2 Ų80.253%0.52542%0.42SS..Hα-helixtrans-71.5-32178.3-65177.991.9-154.24.4111.9S236 T238 T244 R245S236-R241 WeakPolarHBondContact O-CD 3.41Å; S236-R241 PolarHBondContact O-NH1 3.46Å; S236-R241 PolarHBondContact OG-NH1 2.92Å; T238-R241 PolarHBondContact O-N 2.95Å; T238-R241 WeakPolarHBondContact OG1-CG 3.49Å; R241-T244 PolarHBondContact O-OG1 3.3Å; R241-R245 VanDerWaalsContact O-CB 3.22Å; R241-R245 WeakPolarHBondContact O-CB 3.16Å; R241-R245 PolarHBondContact O-N 2.97Å
242I87.8Confident84.7Confident11 Ų1185.8 Ų85.86%0.05646%0.456CS..Hα-helixtrans-71.2-46.4172.4-63.5161000109.7M93 P94 F99 A231 E237 T238 Y239 R245 C246M93-I242 HydrophobicContact CE-CB 3.99Å; M93-I242 HydrophobicContact CE-CG2 3.83Å; M93-I242 HydrophobicContact SD-CG2 4.14Å; P94-I242 HydrophobicContact CG-CD1 4.48Å; F99-I242 HydrophobicContact CE1-CD1 3.76Å; F99-I242 HydrophobicContact CZ-CD1 3.55Å; A231-I242 HydrophobicContact CB-CD1 3.69Å; E237-I242 HydrophobicContact CB-CD1 4.07Å; E237-I242 HydrophobicContact CB-CG1 4.05Å; T238-I242 PolarHBondContact O-N 3.01Å; Y239-I242 PolarHBondContact O-N 3.42Å; I242-R245 PolarHBondContact O-N 2.84Å; I242-C246 PolarHBondContact O-N 3.27Å; I242-C246 PolarHBondContact O-SG 3.08Å
243L88.7Confident84.8Confident37 Ų3784.8 Ų84.819%0.19444%0.444CS..Hα-helixtrans-58.1-52.9179.2178.962.9000111.9A91 M93 Y239 E240 R245 C246 Y249A91-L243 HydrophobicContact CB-CD1 3.62Å; M93-L243 HydrophobicContact CE-CB 3.84Å; M93-L243 HydrophobicContact CG-CD1 4.35Å; M93-L243 HydrophobicContact SD-CB 3.88Å; M93-L243 HydrophobicContact SD-CD1 3.83Å; M93-L243 HydrophobicContact SD-CG 4.48Å; Y239-L243 HydrophobicContact CE1-CD2 4.23Å; Y239-L243 VanDerWaalsContact O-CB 3.29Å; Y239-L243 WeakPolarHBondContact O-CB 3.45Å; Y239-L243 PolarHBondContact O-N 2.95Å; E240-L243 PolarHBondContact O-N 2.84Å; L243-R245 PolarHBondContact O-N 3.1Å; L243-C246 WeakPolarHBondContact O-CB 2.81Å; L243-C246 PolarHBondContact O-N 2.9Å; L243-Y249 HydrophobicContact CD1-CD2 3.66Å; L243-Y249 HydrophobicContact CD1-CE2 4.27Å; L243-Y249 HydrophobicContact CD1-CG 4.26Å; L243-Y249 HydrophobicContact CD2-CD2 4.2Å; L243-Y249 HydrophobicContact CD2-CE2 3.97Å; L243-Y249 HydrophobicContact CG-CD2 3.68Å; L243-Y249 HydrophobicContact CG-CE2 3.93Å; L243-Y249 HydrophobicContact CG-CG 4.17Å; L243-Y249 WeakPolarHBondContact O-CB 3.46Å
244T88.1Confident84.9Confident64 Ų6482.1 Ų82.139%0.39342%0.42SS..Hα-helixtrans-65.8-19.4-179.948.80000113.9E240 R241 Y249E240-T244 WeakPolarHBondContact O-CB 3.48Å; E240-T244 WeakPolarHBondContact O-CG2 3.39Å; E240-T244 PolarHBondContact O-N 2.85Å; E240-T244 PolarHBondContact O-OG1 2.85Å; R241-T244 PolarHBondContact O-OG1 3.3Å; T244-Y249 HydrophobicContact CG2-CD1 4.38Å; T244-Y249 HydrophobicContact CG2-CE1 3.97Å
245R86.1Confident84.9Confident171 Ų17182.5 Ų82.565%0.64543%0.425SS*.THydrogen-bonded Turntrans-87.6-7.7174.8-171.3178.8-178.3-1703.8113.3E237 R241 I242 L243E237-R245 IonicContact OE1-NH1 2.78Å; E237-R245 PolarHBondContact OE1-NH1 2.97Å; R241-R245 VanDerWaalsContact O-CB 3.22Å; R241-R245 WeakPolarHBondContact O-CB 3.16Å; R241-R245 PolarHBondContact O-N 2.97Å; I242-R245 PolarHBondContact O-N 2.84Å; L243-R245 PolarHBondContact O-N 3.1Å
246C86.3Confident85.1Confident5 Ų582.9 Ų82.93%0.03441%0.412CS..  trans-80.1127.5177.3-66.30000110.9A91 R227 I242 L243 G248 Y249A91-C246 HydrophobicContact CB-CB 3.59Å; R227-C246 PolarHBondContact NH1-SG 2.9Å; I242-C246 PolarHBondContact O-N 3.27Å; I242-C246 PolarHBondContact O-SG 3.08Å; L243-C246 WeakPolarHBondContact O-CB 2.81Å; L243-C246 PolarHBondContact O-N 2.9Å; C246-G248 PolarHBondContact O-N 3.34Å; C246-Y249 WeakPolarHBondContact O-CB 3.37Å; C246-Y249 PolarHBondContact O-N 3.28Å
247H83.4Confident85.2Confident139 Ų13983.2 Ų83.264%0.64440%0.403SS*.Hα-helixtrans-56.4-35.2172.7-53.8108.4000112.1Y249 E250 N251H247-Y249 PolarHBondContact O-N 2.89Å; H247-E250 PolarHBondContact O-N 3.49Å; H247-N251 PolarHBondContact O-N 2.9Å; H247-N251 VanDerWaalsContact O-N 3.15Å
248G84.3Confident85.3Confident0 Ų084.9 Ų84.90%041%0.413CS..Hα-helixtrans-71.34.1172.300000115.7E88 Y90 A91 C246 V254E88-G248 WeakPolarHBondContact O-CA 3.45Å; Y90-G248 CarbonylContact C-O 3.6Å; Y90-G248 VanDerWaalsContact C-O 3.27Å; Y90-G248 WeakPolarHBondContact CA-O 3.37Å; A91-G248 VanDerWaalsContact N-C 3.35Å; A91-G248 PolarHBondContact N-O 3.06Å; C246-G248 PolarHBondContact O-N 3.34Å; G248-V254 WeakPolarHBondContact O-CG2 3.43Å
249Y86.1Confident85.1Confident128 Ų12883.5 Ų83.550%0.50240%0.402SS..Hα-helixtrans-96.5-34.5165-177.5-105.1000111.5L243 T244 C246 H247L243-Y249 HydrophobicContact CD1-CD2 3.66Å; L243-Y249 HydrophobicContact CD1-CE2 4.27Å; L243-Y249 HydrophobicContact CD1-CG 4.26Å; L243-Y249 HydrophobicContact CD2-CD2 4.2Å; L243-Y249 HydrophobicContact CD2-CE2 3.97Å; L243-Y249 HydrophobicContact CG-CD2 3.68Å; L243-Y249 HydrophobicContact CG-CE2 3.93Å; L243-Y249 HydrophobicContact CG-CG 4.17Å; L243-Y249 WeakPolarHBondContact O-CB 3.46Å; T244-Y249 HydrophobicContact CG2-CD1 4.38Å; T244-Y249 HydrophobicContact CG2-CE1 3.97Å; C246-Y249 WeakPolarHBondContact O-CB 3.37Å; C246-Y249 PolarHBondContact O-N 3.28Å; H247-Y249 PolarHBondContact O-N 2.89Å
250E83.7Confident84.8Confident145 Ų14585.4 Ų85.468%0.67841%0.414SS*.Hα-helixtrans-80.9-16.3179.2-59-171138.500113.5H247H247-E250 PolarHBondContact O-N 3.49Å
251N84.1Confident84.4Confident41 Ų4183.6 Ų83.622%0.21940%0.404CS..  trans-60.6122.2-179.5165.433.3000112P89 H247 S253 V254P89-N251 PolarHBondContact O-ND2 3.02Å; P89-N251 VanDerWaalsContact O-ND2 3.08Å; H247-N251 PolarHBondContact O-N 2.9Å; H247-N251 VanDerWaalsContact O-N 3.15Å; N251-S253 VanDerWaalsContact C-N 3.26Å; N251-S253 PolarHBondContact ND2-OG 3.42Å; N251-S253 PolarHBondContact O-N 2.64Å; N251-S253 PolarHBondContact OD1-N 2.78Å; N251-S253 PolarHBondContact OD1-OG 3.19Å; N251-S253 VanDerWaalsContact OD1-OG 3.05Å; N251-V254 HydrophobicContact CB-CG2 3.65Å; N251-V254 WeakPolarHBondContact O-CB 3.24Å; N251-V254 WeakPolarHBondContact O-CG2 3.28Å; N251-V254 PolarHBondContact O-N 3.32Å
252P82.1Confident84Confident131 Ų13181.7 Ų81.785%0.85141%0.408SS*.THydrogen-bonded Turntrans-67-19-178.127-35.8000114.7
253S81.6Confident83.4Confident54 Ų5481.8 Ų81.838%0.37841%0.412SS..THydrogen-bonded Turntrans-89.3-1.2177.869.40000114.5N251 V255 E256 Y257N251-S253 VanDerWaalsContact C-N 3.26Å; N251-S253 PolarHBondContact ND2-OG 3.42Å; N251-S253 PolarHBondContact O-N 2.64Å; N251-S253 PolarHBondContact OD1-N 2.78Å; N251-S253 PolarHBondContact OD1-OG 3.19Å; N251-S253 VanDerWaalsContact OD1-OG 3.05Å; S253-V255 PolarHBondContact O-N 2.75Å; S253-V255 VanDerWaalsContact O-N 3.14Å; S253-E256 PolarHBondContact O-N 2.91Å; S253-Y257 PolarHBondContact O-N 3Å
254V86.8Confident82.9Confident22 Ų2283 Ų8313%0.13342%0.418CS..Hα-helixtrans-50-43.7-177.4168.70000112.3P89 G248 N251 L258P89-V254 WeakPolarHBondContact O-CG2 3.44Å; G248-V254 WeakPolarHBondContact O-CG2 3.43Å; N251-V254 HydrophobicContact CB-CG2 3.65Å; N251-V254 WeakPolarHBondContact O-CB 3.24Å; N251-V254 WeakPolarHBondContact O-CG2 3.28Å; N251-V254 PolarHBondContact O-N 3.32Å; V254-L258 HydrophobicContact CG1-CD1 3.6Å; V254-L258 HydrophobicContact CG1-CG 4.17Å; V254-L258 VanDerWaalsContact O-CB 3.27Å; V254-L258 WeakPolarHBondContact O-CB 3.41Å; V254-L258 VanDerWaalsContact O-CG 3.23Å; V254-L258 WeakPolarHBondContact O-CG 3.39Å; V254-L258 PolarHBondContact O-N 3.07Å
255V83.4Confident82.1Confident104 Ų10482.5 Ų82.563%0.6342%0.417SS*.Hα-helixtrans-66.3-43.2-177.8-177.60000111.2S253 L259S253-V255 PolarHBondContact O-N 2.75Å; S253-V255 VanDerWaalsContact O-N 3.14Å; V255-L259 HydrophobicContact CG1-CD1 3.96Å; V255-L259 HydrophobicContact CG1-CG 4.41Å; V255-L259 VanDerWaalsContact O-CB 3.31Å; V255-L259 WeakPolarHBondContact O-CB 3.03Å; V255-L259 WeakPolarHBondContact O-CG 3.39Å; V255-L259 PolarHBondContact O-N 3.33Å
256E81.7Confident81.2Confident144 Ų14480.2 Ų80.267%0.67342%0.417SS*.Hα-helixtrans-67-45.3178.7-173.1169.6-16300111.2S253 L259 Q260S253-E256 PolarHBondContact O-N 2.91Å; E256-L259 PolarHBondContact O-N 2.94Å; E256-Q260 WeakPolarHBondContact O-CB 3.38Å; E256-Q260 PolarHBondContact O-N 3.33Å
257Y84Confident80.2Confident78 Ų7883.2 Ų83.231%0.30644%0.436SS..Hα-helixtrans-61.7-44.6175.4178.6-84.9000112.2P89 Y90 S253 Q260 K261P89-Y257 HydrophobicContact CB-CD1 4.12Å; P89-Y257 HydrophobicContact CB-CD2 3.9Å; P89-Y257 HydrophobicContact CB-CE1 4.13Å; P89-Y257 HydrophobicContact CB-CE2 3.88Å; P89-Y257 HydrophobicContact CB-CG 4.03Å; P89-Y257 HydrophobicContact CG-CE1 4.08Å; P89-Y257 HydrophobicContact CG-CE2 3.99Å; Y90-Y257 AromaticContact CD1-CD1 3.9Å; Y90-Y257 HydrophobicContact CD1-CD1 3.9Å; Y90-Y257 AromaticContact CD1-CE1 3.33Å; Y90-Y257 HydrophobicContact CD1-CE1 3.33Å; Y90-Y257 AromaticContact CE1-CE1 3.64Å; Y90-Y257 HydrophobicContact CE1-CE1 3.64Å; Y90-Y257 HydrophobicContact CG-CE1 4.44Å; S253-Y257 PolarHBondContact O-N 3Å; Y257-Q260 PolarHBondContact O-N 3.03Å; Y257-K261 HydrophobicContact CE1-CB 4.35Å; Y257-K261 HydrophobicContact CE1-CD 3.62Å; Y257-K261 VanDerWaalsContact O-CB 3.3Å; Y257-K261 WeakPolarHBondContact O-CB 3.49Å; Y257-K261 PolarHBondContact O-N 3.45Å; Y257-K261 PolarHBondContact OH-NZ 2.86Å
258L83.9Confident79.4Confident68 Ų6881.5 Ų81.536%0.35643%0.431SS..Hα-helixtrans-68.7-38.6178.5-72.3177.4000112.2Y90 V254 K261 V262Y90-L258 HydrophobicContact CG-CD2 4.12Å; V254-L258 HydrophobicContact CG1-CD1 3.6Å; V254-L258 HydrophobicContact CG1-CG 4.17Å; V254-L258 VanDerWaalsContact O-CB 3.27Å; V254-L258 WeakPolarHBondContact O-CB 3.41Å; V254-L258 VanDerWaalsContact O-CG 3.23Å; V254-L258 WeakPolarHBondContact O-CG 3.39Å; V254-L258 PolarHBondContact O-N 3.07Å; L258-K261 PolarHBondContact O-N 2.94Å; L258-V262 VanDerWaalsContact O-CG2 3.31Å; L258-V262 WeakPolarHBondContact O-CG2 3.01Å; L258-V262 PolarHBondContact O-N 2.82Å
259L80.9Confident78.5Confident44 Ų4484.3 Ų84.323%0.2345%0.45CS..Hα-helixtrans-59.7-46.6172.9-76.2171.3000111V255 E256 V262 G263 I264 D266V255-L259 HydrophobicContact CG1-CD1 3.96Å; V255-L259 HydrophobicContact CG1-CG 4.41Å; V255-L259 VanDerWaalsContact O-CB 3.31Å; V255-L259 WeakPolarHBondContact O-CB 3.03Å; V255-L259 WeakPolarHBondContact O-CG 3.39Å; V255-L259 PolarHBondContact O-N 3.33Å; E256-L259 PolarHBondContact O-N 2.94Å; L259-V262 PolarHBondContact O-N 3.34Å; L259-G263 PolarHBondContact O-N 2.94Å; L259-I264 CarbonylContact C-O 3.6Å; L259-I264 HydrophobicContact CD2-CB 3.75Å; L259-I264 HydrophobicContact CD2-CG2 3.62Å; L259-I264 PolarHBondContact O-N 3.07Å; L259-D266 HydrophobicContact CD1-CB 4.26Å
260Q81.2Confident77.6Confident130 Ų13081.6 Ų81.661%0.60745%0.448SS*.Hα-helixtrans-60-46.1173.9-178.1178.5-10.800112.1E256 Y257 V262 G263E256-Q260 WeakPolarHBondContact O-CB 3.38Å; E256-Q260 PolarHBondContact O-N 3.33Å; Y257-Q260 PolarHBondContact O-N 3.03Å; Q260-V262 VanDerWaalsContact C-N 3.33Å; Q260-V262 PolarHBondContact O-N 2.79Å; Q260-G263 PolarHBondContact O-N 2.99Å; Q260-G263 VanDerWaalsContact O-N 3.11Å
261K80.3Confident77.1Confident101 Ų10175.9 Ų75.944%0.43942%0.424SS..Hα-helixtrans-66.1-30.1-178.4-172.2161.8-170.6159.60113.7Y90 Y257 L258Y90-K261 HydrophobicContact CE1-CD 4.36Å; Y90-K261 PolarHBondContact OH-NZ 3.12Å; Y257-K261 HydrophobicContact CE1-CB 4.35Å; Y257-K261 HydrophobicContact CE1-CD 3.62Å; Y257-K261 VanDerWaalsContact O-CB 3.3Å; Y257-K261 WeakPolarHBondContact O-CB 3.49Å; Y257-K261 PolarHBondContact O-N 3.45Å; Y257-K261 PolarHBondContact OH-NZ 2.86Å; L258-K261 PolarHBondContact O-N 2.94Å
262V80.4Confident76.7Confident99 Ų9976.6 Ų76.660%0.643%0.426SS*.Hα-helixtrans-91.7-5.8175.4-173.80000111.9L258 L259 Q260 I264L258-V262 VanDerWaalsContact O-CG2 3.31Å; L258-V262 WeakPolarHBondContact O-CG2 3.01Å; L258-V262 PolarHBondContact O-N 2.82Å; L259-V262 PolarHBondContact O-N 3.34Å; Q260-V262 VanDerWaalsContact C-N 3.33Å; Q260-V262 PolarHBondContact O-N 2.79Å; V262-I264 VanDerWaalsContact C-N 3.33Å; V262-I264 HydrophobicContact CB-CD1 4.2Å; V262-I264 HydrophobicContact CB-CG1 4.25Å; V262-I264 HydrophobicContact CG1-CD1 3.66Å; V262-I264 HydrophobicContact CG1-CG1 3.91Å
263G74.4Confident76.4Confident13 Ų1375.8 Ų75.813%0.13441%0.412CS..THydrogen-bonded Turntrans73.520.4-179.200000114.3L259 Q260L259-G263 PolarHBondContact O-N 2.94Å; Q260-G263 PolarHBondContact O-N 2.99Å; Q260-G263 VanDerWaalsContact O-N 3.11Å
264I77.9Confident76.1Confident63 Ų6377.7 Ų77.732%0.32341%0.411SS..  trans-91.7127.6179.7-59.6174.2000109L259 V262L259-I264 CarbonylContact C-O 3.6Å; L259-I264 HydrophobicContact CD2-CB 3.75Å; L259-I264 HydrophobicContact CD2-CG2 3.62Å; L259-I264 PolarHBondContact O-N 3.07Å; V262-I264 VanDerWaalsContact C-N 3.33Å; V262-I264 HydrophobicContact CB-CD1 4.2Å; V262-I264 HydrophobicContact CB-CG1 4.25Å; V262-I264 HydrophobicContact CG1-CD1 3.66Å; V262-I264 HydrophobicContact CG1-CG1 3.91Å
265S71.3Confident75.4Confident53 Ų5379 Ų7937%0.37143%0.429SS..BIsolated β-bridgetrans-89.5125.1176.8-175.50000111.5T267 N268S265-T267 PolarHBondContact O-N 3.21Å; S265-T267 PolarHBondContact OG-N 2.94Å; S265-T267 PolarHBondContact OG-OG1 2.95Å; S265-T267 VanDerWaalsContact OG-OG1 3.1Å; S265-N268 CarbonylContact O-C 3.16Å; S265-N268 PolarHBondContact O-N 3.16Å; S265-N268 PolarHBondContact OG-N 3.07Å
266D67.1Low75Confident122 Ų12278.1 Ų78.165%0.65242%0.421SS*.THydrogen-bonded Turntrans-59.7-34.3170.6-172.656.1000111.9L259L259-D266 HydrophobicContact CD1-CB 4.26Å
267T64.8Low74.5Confident69 Ų6973.1 Ų73.142%0.42340%0.397SS..THydrogen-bonded Turntrans-82.9-14.1179.265.50000113.8S265 C278S265-T267 PolarHBondContact O-N 3.21Å; S265-T267 PolarHBondContact OG-N 2.94Å; S265-T267 PolarHBondContact OG-OG1 2.95Å; S265-T267 VanDerWaalsContact OG-OG1 3.1Å; T267-C278 WeakPolarHBondContact O-CB 3.37Å; T267-C278 PolarHBondContact O-SG 2.92Å
268N68.2Low73.6Confident102 Ų10270.8 Ų70.855%0.54539%0.392SS..BIsolated β-bridgetrans-146.672.1178.3-72.4-85.5000110.5S265S265-N268 CarbonylContact O-C 3.16Å; S265-N268 PolarHBondContact O-N 3.16Å; S265-N268 PolarHBondContact OG-N 3.07Å
269P64.7Low72.9Confident60 Ų6076.6 Ų76.639%0.3941%0.414SS..  trans-63.2141.3177.226.4-34.6000110.8S271P269-S271 PolarHBondContact O-N 3Å
270P66.2Low72.4Confident71 Ų7180 Ų8046%0.46143%0.432SS..  trans-76.359.2-177.432.5-36.9000112.1
271S74Confident72.2Confident25 Ų2578 Ų7818%0.17542%0.421CS..  trans-81.2134.3-179.6-174.50000111.9W71 P269 M273 Q277W71-S271 WeakPolarHBondContact CZ2-O 3.3Å; P269-S271 PolarHBondContact O-N 3Å; S271-M273 PolarHBondContact O-N 3.45Å; S271-M273 PolarHBondContact OG-N 3.43Å; S271-M273 VanDerWaalsContact OG-N 3.15Å; S271-Q277 PolarHBondContact O-NE2 3.47Å
272M75Confident72.2Confident56 Ų5679.6 Ų79.628%0.27643%0.431SS..  trans-71-13.5168.2-64-66.3-27.400113.2F58 K62 L66 W71F58-M272 HydrophobicContact CE1-CE 4.01Å; F58-M272 HydrophobicContact CZ-CB 4.47Å; F58-M272 HydrophobicContact CZ-CE 3.63Å; F58-M272 HydrophobicContact CZ-CG 4.15Å; F58-M272 HydrophobicContact CZ-SD 4.1Å; K62-M272 HydrophobicContact CB-CE 3.75Å; K62-M272 HydrophobicContact CD-CE 4.03Å; K62-M272 WeakPolarHBondContact CE-O 3.26Å; K62-M272 HydrophobicContact CG-CE 3.81Å; K62-M272 PolarHBondContact NZ-O 3.49Å; L66-M272 HydrophobicContact CD2-CE 3.71Å; L66-M272 HydrophobicContact CD2-SD 4.04Å; L66-M272 HydrophobicContact CG-CE 3.98Å; W71-M272 HydrophobicContact CH2-CE 3.74Å; W71-M272 HydrophobicContact CH2-SD 3.47Å; W71-M272 WeakPolarHBondContact CH2-SD 3.42Å; W71-M272 HydrophobicContact CZ3-CE 4.27Å; W71-M272 HydrophobicContact CZ3-SD 3.88Å
273M76.8Confident72.2Confident113 Ų11382.3 Ų82.356%0.55744%0.437SS*.  trans-87.4125.9-169.1-63177.168.800111S271 G275 L276 Q277S271-M273 PolarHBondContact O-N 3.45Å; S271-M273 PolarHBondContact OG-N 3.43Å; S271-M273 VanDerWaalsContact OG-N 3.15Å; M273-G275 VanDerWaalsContact C-N 3.33Å; M273-G275 PolarHBondContact O-N 3.38Å; M273-L276 HydrophobicContact CB-CB 4.11Å; M273-L276 HydrophobicContact CB-CD1 4.11Å; M273-L276 HydrophobicContact CB-CG 4.06Å; M273-L276 HydrophobicContact CE-CD1 4.15Å; M273-L276 HydrophobicContact CG-CD1 4.43Å; M273-L276 PolarHBondContact O-N 2.98Å; M273-L276 VanDerWaalsContact O-N 3.09Å; M273-L276 HydrophobicContact SD-CD1 3.63Å; M273-L276 HydrophobicContact SD-CG 4.45Å; M273-Q277 PolarHBondContact O-NE2 3.04Å
274R74.4Confident72.5Confident95 Ų9587.7 Ų87.736%0.35846%0.458SS..G310 helixtrans-60-43.3-179.2-72.5-172.5-176.2-69.5-11111.5R61 D64 I65 L276 Q277 L280R61-R274 PolarHBondContact O-NH2 3.4Å; D64-R274 IonicContact OD1-CZ 3.93Å; D64-R274 IonicContact OD1-NH1 2.8Å; D64-R274 IonicContact OD1-NH2 3.74Å; D64-R274 PolarHBondContact OD1-NH2 3.47Å; D64-R274 IonicContact OD2-CZ 2.71Å; D64-R274 IonicContact OD2-NH1 2.67Å; D64-R274 PolarHBondContact OD2-NH1 2.83Å; D64-R274 IonicContact OD2-NH2 3.59Å; D64-R274 PolarHBondContact OD2-NH2 3.46Å; I65-R274 HydrophobicContact CD1-CG 4.32Å; R274-L276 PolarHBondContact O-N 3.01Å; R274-Q277 WeakPolarHBondContact O-CG 3.33Å; R274-Q277 PolarHBondContact O-N 3.23Å; R274-L280 WeakPolarHBondContact O-CD1 3.39Å
275G73.8Confident72.7Confident49 Ų4988.9 Ų88.951%0.50547%0.465SS..G310 helixtrans-70.4-4.8177.300000115.8M273 F281M273-G275 VanDerWaalsContact C-N 3.33Å; M273-G275 PolarHBondContact O-N 3.38Å; G275-F281 WeakPolarHBondContact O-CE2 3.44Å; G275-F281 WeakPolarHBondContact O-CZ 3.3Å
276L73.1Confident73.2Confident86 Ų8688.6 Ų88.645%0.4546%0.458SS..G310 helixtrans-11617.3176.9-58.7-178.3000112.5M273 R274M273-L276 HydrophobicContact CB-CB 4.11Å; M273-L276 HydrophobicContact CB-CD1 4.11Å; M273-L276 HydrophobicContact CB-CG 4.06Å; M273-L276 HydrophobicContact CE-CD1 4.15Å; M273-L276 HydrophobicContact CG-CD1 4.43Å; M273-L276 PolarHBondContact O-N 2.98Å; M273-L276 VanDerWaalsContact O-N 3.09Å; M273-L276 HydrophobicContact SD-CD1 3.63Å; M273-L276 HydrophobicContact SD-CG 4.45Å; R274-L276 PolarHBondContact O-N 3.01Å
277Q72.6Confident73.9Confident38 Ų3885.4 Ų85.418%0.17845%0.448CS..  trans-78.5130.8172.2-59.8-58.5-66.200110.1S271 M273 R274 K279 L280 F281S271-Q277 PolarHBondContact O-NE2 3.47Å; M273-Q277 PolarHBondContact O-NE2 3.04Å; R274-Q277 WeakPolarHBondContact O-CG 3.33Å; R274-Q277 PolarHBondContact O-N 3.23Å; Q277-K279 PolarHBondContact O-N 2.98Å; Q277-L280 WeakPolarHBondContact O-CB 3.49Å; Q277-L280 PolarHBondContact O-N 2.88Å; Q277-F281 WeakPolarHBondContact O-CD2 3.29Å
278C65.3Low74.7Confident29 Ų2985.3 Ų85.320%0.19645%0.45CS..G310 helixtrans-59.6-17179-64.70000114.6T267 L280 F281T267-C278 WeakPolarHBondContact O-CB 3.37Å; T267-C278 PolarHBondContact O-SG 2.92Å; C278-L280 PolarHBondContact O-N 3.37Å; C278-L280 VanDerWaalsContact O-N 3.14Å; C278-F281 PolarHBondContact O-N 2.95Å; C278-F281 VanDerWaalsContact O-O 3.13Å
279K68.4Low75.5Confident190 Ų19081.9 Ų81.983%0.82644%0.436SS*.G310 helixtrans-60.4-16.6169.4-63.7-179-177.6174.30114.3Q277Q277-K279 PolarHBondContact O-N 2.98Å
280L71.3Confident76.6Confident116 Ų11682 Ų8261%0.60743%0.433SS*.G310 helixtrans-99.1-9.1-179.8-59.6-177.7000113.8R274 Q277 C278R274-L280 WeakPolarHBondContact O-CD1 3.39Å; Q277-L280 WeakPolarHBondContact O-CB 3.49Å; Q277-L280 PolarHBondContact O-N 2.88Å; C278-L280 PolarHBondContact O-N 3.37Å; C278-L280 VanDerWaalsContact O-N 3.14Å
281F75.6Confident77.6Confident87 Ų8786.3 Ų86.338%0.38244%0.44SS..SBendtrans-113.8147.6-176.7-60.4-84.4000109.9G275 Q277 C278 F286G275-F281 WeakPolarHBondContact O-CE2 3.44Å; G275-F281 WeakPolarHBondContact O-CZ 3.3Å; Q277-F281 WeakPolarHBondContact O-CD2 3.29Å; C278-F281 PolarHBondContact O-N 2.95Å; C278-F281 VanDerWaalsContact O-O 3.13Å; F281-F286 HydrophobicContact CB-CE1 4.09Å
282Q81Confident78.2Confident136 Ų13693 Ų9364%0.63647%0.466SS*.  trans-85.3154.9170-58.8-60-37.800109.8E284 D285Q282-E284 HydrophobicContact CB-CB 4.4Å; Q282-E284 PolarHBondContact O-N 3.07Å; Q282-E284 VanDerWaalsContact O-N 3.07Å; Q282-D285 WeakPolarHBondContact CB-OD2 3.41Å; Q282-D285 PolarHBondContact N-OD2 2.86Å; Q282-D285 VanDerWaalsContact N-OD2 3.08Å; Q282-D285 WeakPolarHBondContact O-CB 3.22Å; Q282-D285 PolarHBondContact O-N 2.86Å
283E79.5Confident78.9Confident155 Ų15595.1 Ų95.172%0.72447%0.473SS*.G310 helixtrans-56.9-25.8172.9-61-179.4172.500112D285 F286 A289E283-D285 VanDerWaalsContact C-N 3.26Å; E283-D285 PolarHBondContact O-N 2.86Å; E283-F286 HydrophobicContact CB-CD2 4.3Å; E283-F286 HydrophobicContact CB-CE2 4.22Å; E283-F286 HydrophobicContact CG-CE2 3.99Å; E283-F286 HydrophobicContact CG-CZ 4.48Å; E283-F286 PolarHBondContact O-N 2.88Å; E283-A289 WeakPolarHBondContact O-CB 3.49Å
284E81.9Confident79.5Confident126 Ų12695.5 Ų95.559%0.58947%0.474SS*.G310 helixtrans-66.9-20.9174.4-76.6-142.3-128.500115Q282 K293Q282-E284 HydrophobicContact CB-CB 4.4Å; Q282-E284 PolarHBondContact O-N 3.07Å; Q282-E284 VanDerWaalsContact O-N 3.07Å; E284-K293 PolarHBondContact O-NZ 3.04Å; E284-K293 VanDerWaalsContact OE2-CE 3.31Å; E284-K293 WeakPolarHBondContact OE2-CE 3.44Å; E284-K293 IonicContact OE2-NZ 2.99Å; E284-K293 PolarHBondContact OE2-NZ 2.92Å
285D81.4Confident80.3Confident88 Ų8893.2 Ų93.247%0.47147%0.472SS..G310 helixtrans-95.5-8.1-180-55.3-48.3000112.5Q282 E283 I290Q282-D285 WeakPolarHBondContact CB-OD2 3.41Å; Q282-D285 PolarHBondContact N-OD2 2.86Å; Q282-D285 VanDerWaalsContact N-OD2 3.08Å; Q282-D285 WeakPolarHBondContact O-CB 3.22Å; Q282-D285 PolarHBondContact O-N 2.86Å; E283-D285 VanDerWaalsContact C-N 3.26Å; E283-D285 PolarHBondContact O-N 2.86Å; D285-I290 WeakPolarHBondContact O-CD1 3.37Å
286F81.4Confident81.1Confident48 Ų4892.8 Ų92.821%0.21146%0.464CS..SBendtrans-66.4146.8178.6-65.6-12.4000111.5F281 E283 S288 A289 I290F281-F286 HydrophobicContact CB-CE1 4.09Å; E283-F286 HydrophobicContact CB-CD2 4.3Å; E283-F286 HydrophobicContact CB-CE2 4.22Å; E283-F286 HydrophobicContact CG-CE2 3.99Å; E283-F286 HydrophobicContact CG-CZ 4.48Å; E283-F286 PolarHBondContact O-N 2.88Å; F286-S288 PolarHBondContact O-N 3.04Å; F286-S288 VanDerWaalsContact O-N 3.15Å; F286-A289 PolarHBondContact O-N 3.25Å; F286-I290 PolarHBondContact O-N 3.49Å
287A81.8Confident82Confident55 Ų5591.2 Ų91.246%0.45546%0.46SS..Hα-helixtrans-57.1-35.2-175.100000113.1R291A287-R291 VanDerWaalsContact O-CB 3.26Å; A287-R291 WeakPolarHBondContact O-CB 3.32Å; A287-R291 WeakPolarHBondContact O-CD 3.5Å; A287-R291 WeakPolarHBondContact O-CG 3.34Å; A287-R291 PolarHBondContact O-N 3.32Å
288S81.3Confident82.9Confident67 Ų6796.8 Ų96.847%0.46948%0.48SS..Hα-helixtrans-64.4-46.7174.251.90000112.7F286 R291 K292F286-S288 PolarHBondContact O-N 3.04Å; F286-S288 VanDerWaalsContact O-N 3.15Å; S288-R291 PolarHBondContact O-N 3.31Å; S288-K292 PolarHBondContact O-N 2.67Å
289A85.4Confident84.3Confident29 Ų2995.4 Ų95.424%0.2447%0.47CS..Hα-helixtrans-65.9-42.9176.800000112.1E283 F286 K292 K293E283-A289 WeakPolarHBondContact O-CB 3.49Å; F286-A289 PolarHBondContact O-N 3.25Å; A289-K292 PolarHBondContact O-N 3.34Å; A289-K293 VanDerWaalsContact O-CG 3.29Å; A289-K293 WeakPolarHBondContact O-CG 3.23Å; A289-K293 PolarHBondContact O-N 2.95Å
290I88.5Confident85.4Confident63 Ų6389.4 Ų89.432%0.32345%0.447SS..Hα-helixtrans-62.5-47.8175.3-68179.4000110.8D285 F286 K292 K293 Q294D285-I290 WeakPolarHBondContact O-CD1 3.37Å; F286-I290 PolarHBondContact O-N 3.49Å; I290-K292 PolarHBondContact O-N 3.36Å; I290-K293 WeakPolarHBondContact O-CB 3.34Å; I290-K293 PolarHBondContact O-N 3.41Å; I290-Q294 HydrophobicContact CG2-CG 4.32Å; I290-Q294 WeakPolarHBondContact O-CB 3.43Å; I290-Q294 VanDerWaalsContact O-CG 3.3Å; I290-Q294 WeakPolarHBondContact O-CG 3.24Å; I290-Q294 PolarHBondContact O-N 2.67Å
291R86.6Confident86.5Confident162 Ų16290 Ų9061%0.61145%0.445SS*.Hα-helixtrans-56.9-46.9175.2-75.6166.6-170.3156.33.2111.2A287 S288 K293 Q294 S295A287-R291 VanDerWaalsContact O-CB 3.26Å; A287-R291 WeakPolarHBondContact O-CB 3.32Å; A287-R291 WeakPolarHBondContact O-CD 3.5Å; A287-R291 WeakPolarHBondContact O-CG 3.34Å; A287-R291 PolarHBondContact O-N 3.32Å; S288-R291 PolarHBondContact O-N 3.31Å; R291-K293 PolarHBondContact O-N 3.34Å; R291-Q294 WeakPolarHBondContact O-CB 3.41Å; R291-Q294 PolarHBondContact O-N 3.4Å; R291-Q294 VanDerWaalsContact O-N 3.08Å; R291-S295 PolarHBondContact O-N 2.94Å; R291-S295 PolarHBondContact O-OG 3.13Å
292K87Confident87.4Confident165 Ų16586.3 Ų86.372%0.71743%0.43SS*.Hα-helixtrans-61.9-40.7178.5-170.5163.8-174.4164.30112.6S288 A289 I290 Q294 A296S288-K292 PolarHBondContact O-N 2.67Å; A289-K292 PolarHBondContact O-N 3.34Å; I290-K292 PolarHBondContact O-N 3.36Å; K292-Q294 VanDerWaalsContact C-N 3.35Å; K292-A296 WeakPolarHBondContact O-CB 3.31Å; K292-A296 PolarHBondContact O-N 3.4Å; K292-A296 VanDerWaalsContact O-N 3.15Å
293K89Confident88Confident100 Ų10080 Ų8044%0.43540%0.401SS..Hα-helixtrans-62-39.9172-70.4165.4178.8176.50112E284 A289 I290 R291 S297E284-K293 PolarHBondContact O-NZ 3.04Å; E284-K293 VanDerWaalsContact OE2-CE 3.31Å; E284-K293 WeakPolarHBondContact OE2-CE 3.44Å; E284-K293 IonicContact OE2-NZ 2.99Å; E284-K293 PolarHBondContact OE2-NZ 2.92Å; A289-K293 VanDerWaalsContact O-CG 3.29Å; A289-K293 WeakPolarHBondContact O-CG 3.23Å; A289-K293 PolarHBondContact O-N 2.95Å; I290-K293 WeakPolarHBondContact O-CB 3.34Å; I290-K293 PolarHBondContact O-N 3.41Å; R291-K293 PolarHBondContact O-N 3.34Å; K293-S297 WeakPolarHBondContact O-CB 3.45Å; K293-S297 PolarHBondContact O-N 3.22Å; K293-S297 VanDerWaalsContact O-N 3.13Å
294Q90.3Very high88.7Confident121 Ų12179.7 Ų79.757%0.56539%0.393SS*.Hα-helixtrans-69.8-48.5179-73.6171.6-11.200112.4I290 R291 K292 S297 W298I290-Q294 HydrophobicContact CG2-CG 4.32Å; I290-Q294 WeakPolarHBondContact O-CB 3.43Å; I290-Q294 VanDerWaalsContact O-CG 3.3Å; I290-Q294 WeakPolarHBondContact O-CG 3.24Å; I290-Q294 PolarHBondContact O-N 2.67Å; R291-Q294 WeakPolarHBondContact O-CB 3.41Å; R291-Q294 PolarHBondContact O-N 3.4Å; R291-Q294 VanDerWaalsContact O-N 3.08Å; K292-Q294 VanDerWaalsContact C-N 3.35Å; Q294-S297 CarbonylContact O-C 3.55Å; Q294-S297 WeakPolarHBondContact O-CB 3.33Å; Q294-S297 PolarHBondContact O-N 2.98Å; Q294-W298 PolarHBondContact O-N 3.32Å
295S90.8Very high89.2Confident47 Ų4775.1 Ų75.133%0.32938%0.377SS..Hα-helixtrans-58.5-50.1177.2-62.20000111.5R291 S297 W298 A299 I328R291-S295 PolarHBondContact O-N 2.94Å; R291-S295 PolarHBondContact O-OG 3.13Å; S295-S297 VanDerWaalsContact C-N 3.27Å; S295-S297 PolarHBondContact O-N 3.41Å; S295-W298 PolarHBondContact O-N 2.87Å; S295-A299 WeakPolarHBondContact O-CB 3.41Å; S295-A299 PolarHBondContact O-N 2.9Å; S295-I328 VanDerWaalsContact O-CG2 3.29Å; S295-I328 WeakPolarHBondContact O-CG2 3.45Å
296A89.9Confident89.8Confident40 Ų4070.9 Ų70.933%0.33135%0.354SS..Hα-helixtrans-60-36.6176.500000112.5K292 L300K292-A296 WeakPolarHBondContact O-CB 3.31Å; K292-A296 PolarHBondContact O-N 3.4Å; K292-A296 VanDerWaalsContact O-N 3.15Å; A296-L300 WeakPolarHBondContact O-CB 3.39Å; A296-L300 PolarHBondContact O-N 3.06Å; A296-L300 VanDerWaalsContact O-N 3.14Å
297S92.2Very high90.3Very high54 Ų5469.1 Ų69.138%0.37835%0.347SS..Hα-helixtrans-68.3-35173.8-176.10000112.8K293 Q294 S295 K301K293-S297 WeakPolarHBondContact O-CB 3.45Å; K293-S297 PolarHBondContact O-N 3.22Å; K293-S297 VanDerWaalsContact O-N 3.13Å; Q294-S297 CarbonylContact O-C 3.55Å; Q294-S297 WeakPolarHBondContact O-CB 3.33Å; Q294-S297 PolarHBondContact O-N 2.98Å; S295-S297 VanDerWaalsContact C-N 3.27Å; S295-S297 PolarHBondContact O-N 3.41Å; S297-K301 VanDerWaalsContact O-CG 3.31Å; S297-K301 WeakPolarHBondContact O-CG 3.33Å; S297-K301 PolarHBondContact O-N 3.29Å
298W92.4Very high90.9Very high154 Ų15469.3 Ų69.358%0.58334%0.34SS*.Hα-helixtrans-78.2-43.4-179.7-169.618.7000112.1Q294 S295 L300 K301 C302 I328Q294-W298 PolarHBondContact O-N 3.32Å; S295-W298 PolarHBondContact O-N 2.87Å; W298-L300 VanDerWaalsContact C-N 3.31Å; W298-L300 PolarHBondContact O-N 2.94Å; W298-K301 WeakPolarHBondContact O-CA 3.46Å; W298-K301 WeakPolarHBondContact O-CB 3.28Å; W298-K301 PolarHBondContact O-N 3.27Å; W298-C302 PolarHBondContact O-N 3.02Å; W298-I328 HydrophobicContact CB-CG2 4.41Å; W298-I328 HydrophobicContact CD2-CD1 3.62Å; W298-I328 HydrophobicContact CD2-CG1 4.45Å; W298-I328 HydrophobicContact CE3-CD1 3.7Å; W298-I328 HydrophobicContact CE3-CG1 4.04Å; W298-I328 HydrophobicContact CE3-CG2 4.21Å; W298-I328 HydrophobicContact CG-CD1 4.02Å; W298-I328 HydrophobicContact CH2-CD1 4.36Å; W298-I328 HydrophobicContact CZ2-CD1 4.29Å; W298-I328 HydrophobicContact CZ3-CD1 4.08Å; W298-I328 HydrophobicContact CZ3-CG1 4.2Å
299A93.6Very high91.5Very high0 Ų068.4 Ų68.40%033%0.329CS..Hα-helixtrans-54.1-46.8170.200000111.4S295 K301 C302 V303 A325 I328 D329S295-A299 WeakPolarHBondContact O-CB 3.41Å; S295-A299 PolarHBondContact O-N 2.9Å; A299-K301 VanDerWaalsContact C-N 3.29Å; A299-K301 PolarHBondContact O-N 3.17Å; A299-C302 CarbonylContact O-C 3.53Å; A299-C302 WeakPolarHBondContact O-CB 3.49Å; A299-C302 PolarHBondContact O-N 3.36Å; A299-C302 VanDerWaalsContact O-N 3.08Å; A299-V303 WeakPolarHBondContact O-CG2 3.18Å; A299-V303 PolarHBondContact O-N 3.4Å; A299-A325 HydrophobicContact CB-CB 4.28Å; A299-A325 WeakPolarHBondContact CB-O 3.38Å; A299-A325 WeakPolarHBondContact O-CB 3.2Å; A299-I328 HydrophobicContact CB-CB 4.22Å; A299-I328 HydrophobicContact CB-CG2 4.06Å; A299-D329 HydrophobicContact CB-CB 3.52Å
300L92Very high91.7Very high64 Ų6468.3 Ų68.334%0.33532%0.323SS..Hα-helixtrans-62-32.1176.3-174.762.2000113.4A296 W298 R304A296-L300 WeakPolarHBondContact O-CB 3.39Å; A296-L300 PolarHBondContact O-N 3.06Å; A296-L300 VanDerWaalsContact O-N 3.14Å; W298-L300 VanDerWaalsContact C-N 3.31Å; W298-L300 PolarHBondContact O-N 2.94Å; L300-R304 WeakPolarHBondContact O-CB 3.44Å; L300-R304 PolarHBondContact O-N 3.47Å
301K94.1Very high91.8Very high128 Ų12870.5 Ų70.556%0.55733%0.33SS*.Hα-helixtrans-67.8-41.3172.2-69.4163.8-166.5168.90111.5S297 W298 A299 R304 A305S297-K301 VanDerWaalsContact O-CG 3.31Å; S297-K301 WeakPolarHBondContact O-CG 3.33Å; S297-K301 PolarHBondContact O-N 3.29Å; W298-K301 WeakPolarHBondContact O-CA 3.46Å; W298-K301 WeakPolarHBondContact O-CB 3.28Å; W298-K301 PolarHBondContact O-N 3.27Å; A299-K301 VanDerWaalsContact C-N 3.29Å; A299-K301 PolarHBondContact O-N 3.17Å; K301-R304 PolarHBondContact O-N 2.89Å; K301-A305 PolarHBondContact O-N 2.95Å
302C94.1Very high92.1Very high11 Ų1169 Ų697%0.07433%0.33CS..Hα-helixtrans-64.5-42173.2-780000111.8W298 A299 R304 A305 G306 E321 A325W298-C302 PolarHBondContact O-N 3.02Å; A299-C302 CarbonylContact O-C 3.53Å; A299-C302 WeakPolarHBondContact O-CB 3.49Å; A299-C302 PolarHBondContact O-N 3.36Å; A299-C302 VanDerWaalsContact O-N 3.08Å; C302-R304 VanDerWaalsContact C-N 3.32Å; C302-R304 PolarHBondContact O-N 3.37Å; C302-A305 PolarHBondContact O-N 3.4Å; C302-G306 PolarHBondContact O-N 3.02Å; C302-E321 WeakPolarHBondContact CB-O 3.12Å; C302-E321 WeakPolarHBondContact O-CB 3.39Å; C302-E321 PolarHBondContact SG-OE2 3.26Å; C302-A325 HydrophobicContact CB-CB 3.91Å
303V94.4Very high92.3Very high4 Ų463 Ų632%0.02432%0.316CS..Hα-helixtrans-56.5-46.8171.3178.30000111.1A299 A305 G306 V307 A325 E334 A335 A338A299-V303 WeakPolarHBondContact O-CG2 3.18Å; A299-V303 PolarHBondContact O-N 3.4Å; V303-A305 PolarHBondContact O-N 3.1Å; V303-G306 PolarHBondContact O-N 3.25Å; V303-V307 HydrophobicContact CG1-CG2 4.42Å; V303-V307 VanDerWaalsContact O-CB 3.28Å; V303-V307 WeakPolarHBondContact O-CB 3.44Å; V303-V307 WeakPolarHBondContact O-CG2 3.4Å; V303-V307 PolarHBondContact O-N 2.67Å; V303-A325 HydrophobicContact CG2-CB 3.7Å; V303-E334 HydrophobicContact CG1-CB 4.2Å; V303-A335 HydrophobicContact CG2-CB 3.46Å; V303-A335 VanDerWaalsContact CG2-CB 3.46Å; V303-A338 HydrophobicContact CG1-CB 4.48Å
304R93.4Very high92.5Very high147 Ų14763.1 Ų63.156%0.55531%0.313SS*.Hα-helixtrans-61.8-43.1177.7-177.4173.6177.7152.4-2.4112.4L300 K301 C302 V307 D308L300-R304 WeakPolarHBondContact O-CB 3.44Å; L300-R304 PolarHBondContact O-N 3.47Å; K301-R304 PolarHBondContact O-N 2.89Å; C302-R304 VanDerWaalsContact C-N 3.32Å; C302-R304 PolarHBondContact O-N 3.37Å; R304-V307 WeakPolarHBondContact O-CB 3.23Å; R304-V307 PolarHBondContact O-N 2.86Å; R304-D308 PolarHBondContact O-N 3.45Å
305A93.6Very high92.5Very high30 Ų3061.1 Ų61.125%0.24830%0.304CS..Hα-helixtrans-60.4-53.3174.500000110.8K301 C302 V303 V307 D308 H309 E321K301-A305 PolarHBondContact O-N 2.95Å; C302-A305 PolarHBondContact O-N 3.4Å; V303-A305 PolarHBondContact O-N 3.1Å; A305-V307 VanDerWaalsContact C-N 3.26Å; A305-V307 PolarHBondContact O-N 3.37Å; A305-D308 CarbonylContact O-C 3.57Å; A305-D308 WeakPolarHBondContact O-CA 3.46Å; A305-D308 PolarHBondContact O-N 3.01Å; A305-H309 PolarHBondContact O-CD2 3.04Å; A305-H309 PolarHBondContact O-N 2.9Å; A305-E321 HydrophobicContact CB-CG 4.11Å
306G94.7Very high92.7Very high0 Ų063.4 Ų63.40%032%0.316CS..Hα-helixtrans-58.5-36.7179.300000113.4C302 V303 H309 F310 A318 Y322C302-G306 PolarHBondContact O-N 3.02Å; V303-G306 PolarHBondContact O-N 3.25Å; G306-H309 PolarHBondContact O-N 3.09Å; G306-F310 WeakPolarHBondContact O-CB 3.48Å; G306-F310 PolarHBondContact O-N 3.12Å; G306-A318 VanDerWaalsContact O-CB 3.25Å; G306-A318 WeakPolarHBondContact O-CB 3.44Å; G306-Y322 PolarHBondContact O-OH 3.35Å
307V91Very high92.9Very high11 Ų1165.4 Ų65.47%0.06732%0.318CS..Hα-helixtrans-60.5-44.7170.7152.10000111.9V303 R304 A305 F310 K311 Y322 F717V303-V307 HydrophobicContact CG1-CG2 4.42Å; V303-V307 VanDerWaalsContact O-CB 3.28Å; V303-V307 WeakPolarHBondContact O-CB 3.44Å; V303-V307 WeakPolarHBondContact O-CG2 3.4Å; V303-V307 PolarHBondContact O-N 2.67Å; R304-V307 WeakPolarHBondContact O-CB 3.23Å; R304-V307 PolarHBondContact O-N 2.86Å; A305-V307 VanDerWaalsContact C-N 3.26Å; A305-V307 PolarHBondContact O-N 3.37Å; V307-F310 WeakPolarHBondContact O-CB 3.33Å; V307-F310 PolarHBondContact O-N 2.79Å; V307-K311 WeakPolarHBondContact O-CG 3.43Å; V307-K311 PolarHBondContact O-N 3.19Å; V307-Y322 WeakPolarHBondContact CA-OH 3.36Å; V307-Y322 HydrophobicContact CG2-CE1 4.19Å; V307-Y322 PolarHBondContact N-OH 2.86Å; V307-F717 HydrophobicContact CB-CE1 4.1Å; V307-F717 HydrophobicContact CB-CZ 4.45Å; V307-F717 HydrophobicContact CG1-CD1 3.79Å; V307-F717 HydrophobicContact CG1-CE1 3.27Å; V307-F717 HydrophobicContact CG1-CE2 4.21Å; V307-F717 HydrophobicContact CG1-CG 4.49Å; V307-F717 HydrophobicContact CG1-CZ 3.52Å; V307-F717 HydrophobicContact CG2-CE1 3.63Å; V307-F717 HydrophobicContact CG2-CZ 4.21Å
308D93.7Very high93Very high58 Ų5862.8 Ų62.831%0.3130%0.3SS..Hα-helixtrans-72.6-36.5178.9-71-27.4000111.7R304 A305 F310 K311 H312R304-D308 PolarHBondContact O-N 3.45Å; A305-D308 CarbonylContact O-C 3.57Å; A305-D308 WeakPolarHBondContact O-CA 3.46Å; A305-D308 PolarHBondContact O-N 3.01Å; D308-F310 VanDerWaalsContact C-N 3.33Å; D308-F310 PolarHBondContact O-N 3.02Å; D308-K311 PolarHBondContact O-N 2.86Å; D308-K311 WeakPolarHBondContact OD1-CD 3.34Å; D308-K311 WeakPolarHBondContact OD1-CE 3.38Å; D308-K311 IonicContact OD1-NZ 3.71Å; D308-K311 PolarHBondContact OD1-NZ 3.25Å; D308-H312 PolarHBondContact O-N 3.4Å; D308-H312 PolarHBondContact O-ND1 3.4Å
309H93.8Very high93.1Very high48 Ų4856.2 Ų56.222%0.22228%0.276CS..Hα-helixtrans-59.7-41.8168-71.8-79.8000111.8A305 G306 H312 G313 R314 E317 A318A305-H309 PolarHBondContact O-CD2 3.04Å; A305-H309 PolarHBondContact O-N 2.9Å; G306-H309 PolarHBondContact O-N 3.09Å; H309-H312 CarbonylContact O-C 3.57Å; H309-H312 PolarHBondContact O-N 3.37Å; H309-G313 PolarHBondContact O-N 2.93Å; H309-R314 HydrophobicContact CB-CB 4.46Å; H309-R314 PolarHBondContact ND1-NH2 3.08Å; H309-R314 VanDerWaalsContact ND1-NH2 3.15Å; H309-R314 PolarHBondContact O-N 3.38Å; H309-E317 HydrophobicContact CB-CB 4.05Å; H309-E317 IonicContact CE1-OE2 3.81Å; H309-E317 PolarHBondContact CE1-OE2 3.35Å; H309-E317 VanDerWaalsContact CE1-OE2 3.24Å; H309-E317 IonicContact CG-OE2 3.61Å; H309-E317 IonicContact ND1-OE2 3.6Å; H309-E317 PolarHBondContact ND1-OE2 2.82Å; H309-A318 HydrophobicContact CB-CB 4.14Å
310F91.3Very high93.2Very high27 Ų2760.1 Ų60.112%0.11830%0.297CS..Hα-helixtrans-62.6-43.5176.7-178.8-89.1000112.7G306 V307 D308 H312 G313 H315 A318 L342 L713G306-F310 WeakPolarHBondContact O-CB 3.48Å; G306-F310 PolarHBondContact O-N 3.12Å; V307-F310 WeakPolarHBondContact O-CB 3.33Å; V307-F310 PolarHBondContact O-N 2.79Å; D308-F310 VanDerWaalsContact C-N 3.33Å; D308-F310 PolarHBondContact O-N 3.02Å; F310-H312 PolarHBondContact O-N 3.48Å; F310-G313 PolarHBondContact O-N 2.95Å; F310-H315 AromaticContact CD2-CE1 3.74Å; F310-H315 AromaticContact CD2-ND1 3.36Å; F310-H315 WeakPolarHBondContact CD2-ND1 3.23Å; F310-H315 AromaticContact CE2-CE1 3.47Å; F310-H315 VanDerWaalsContact CE2-CE1 3.47Å; F310-H315 WeakPolarHBondContact CE2-CE1 3.49Å; F310-H315 AromaticContact CE2-ND1 3.44Å; F310-H315 WeakPolarHBondContact CE2-ND1 3.31Å; F310-A318 HydrophobicContact CB-CB 3.99Å; F310-L342 HydrophobicContact CD2-CD1 3.87Å; F310-L342 HydrophobicContact CE2-CD1 3.84Å; F310-L713 HydrophobicContact CD1-CD1 4.26Å; F310-L713 HydrophobicContact CE1-CD1 3.46Å; F310-L713 VanDerWaalsContact CE1-CD1 3.46Å; F310-L713 HydrophobicContact CZ-CD1 3.95Å
311K90.3Very high93.4Very high109 Ų10958.5 Ų58.547%0.47429%0.288SS..Hα-helixtrans-58.5-32.7176.3-70.6166.9-166.1160.40112.7V307 D308 G313 F717V307-K311 WeakPolarHBondContact O-CG 3.43Å; V307-K311 PolarHBondContact O-N 3.19Å; D308-K311 PolarHBondContact O-N 2.86Å; D308-K311 WeakPolarHBondContact OD1-CD 3.34Å; D308-K311 WeakPolarHBondContact OD1-CE 3.38Å; D308-K311 IonicContact OD1-NZ 3.71Å; D308-K311 PolarHBondContact OD1-NZ 3.25Å; K311-G313 VanDerWaalsContact C-N 3.29Å; K311-F717 HydrophobicContact CD-CE2 4.41Å; K311-F717 VanDerWaalsContact CE-CD2 3.45Å; K311-F717 HydrophobicContact CG-CE2 4.46Å
312H92.6Very high93.5Very high130 Ų13052.8 Ų52.860%0.60226%0.262SS*.THydrogen-bonded Turntrans-87.511175.9-63.691.5000113.6D308 H309 F310 R314D308-H312 PolarHBondContact O-N 3.4Å; D308-H312 PolarHBondContact O-ND1 3.4Å; H309-H312 CarbonylContact O-C 3.57Å; H309-H312 PolarHBondContact O-N 3.37Å; F310-H312 PolarHBondContact O-N 3.48Å; H312-R314 PolarHBondContact O-N 2.85Å
313G90.5Very high93.6Very high41 Ų4154.3 Ų54.342%0.42327%0.27SS..THydrogen-bonded Turntrans74.73.2179.900000115.3H309 F310 K311 H315H309-G313 PolarHBondContact O-N 2.93Å; F310-G313 PolarHBondContact O-N 2.95Å; K311-G313 VanDerWaalsContact C-N 3.29Å; G313-H315 PolarHBondContact O-CD2 3.15Å; G313-H315 PolarHBondContact O-N 2.76Å
314R93.6Very high93.7Very high101 Ų10158.3 Ų58.338%0.38129%0.287SS..  trans-83.867.9-176.3-57.6-166.8-56.5-88.1-7.9110.7H309 H312 V316 E317 A318H309-R314 HydrophobicContact CB-CB 4.46Å; H309-R314 PolarHBondContact ND1-NH2 3.08Å; H309-R314 VanDerWaalsContact ND1-NH2 3.15Å; H309-R314 PolarHBondContact O-N 3.38Å; H312-R314 PolarHBondContact O-N 2.85Å; R314-V316 PolarHBondContact O-N 3.23Å; R314-V316 VanDerWaalsContact O-N 3.17Å; R314-E317 HydrophobicContact CB-CB 4.35Å; R314-E317 HydrophobicContact CB-CG 4.44Å; R314-E317 WeakPolarHBondContact CB-OE2 3.3Å; R314-E317 VanDerWaalsContact CD-OE2 3.27Å; R314-E317 WeakPolarHBondContact CD-OE2 3.24Å; R314-E317 IonicContact CZ-OE2 3.14Å; R314-E317 IonicContact NE-OE1 2.72Å; R314-E317 IonicContact NE-OE2 2.85Å; R314-E317 PolarHBondContact NE-OE2 3.25Å; R314-E317 IonicContact NH2-OE2 3.42Å; R314-E317 PolarHBondContact O-N 3.16Å; R314-A318 WeakPolarHBondContact O-CB 3.31Å; R314-A318 PolarHBondContact O-N 3.08Å
315H91.3Very high93.8Very high79 Ų7951.3 Ų51.337%0.36626%0.26SS..THydrogen-bonded Turntrans-67.4-9.1-171.2-61.5-46.1000116.1F310 G313 L342 K346F310-H315 AromaticContact CD2-CE1 3.74Å; F310-H315 AromaticContact CD2-ND1 3.36Å; F310-H315 WeakPolarHBondContact CD2-ND1 3.23Å; F310-H315 AromaticContact CE2-CE1 3.47Å; F310-H315 VanDerWaalsContact CE2-CE1 3.47Å; F310-H315 WeakPolarHBondContact CE2-CE1 3.49Å; F310-H315 AromaticContact CE2-ND1 3.44Å; F310-H315 WeakPolarHBondContact CE2-ND1 3.31Å; G313-H315 PolarHBondContact O-CD2 3.15Å; G313-H315 PolarHBondContact O-N 2.76Å; H315-L342 HydrophobicContact CB-CD1 4.13Å; H315-K346 PolarHBondContact O-NZ 2.67Å
316V93.9Very high93.8Very high96 Ų9650.7 Ų50.758%0.58225%0.253SS*.THydrogen-bonded Turntrans-87.8-53.4172.4179.70000109.5R314 A318 M319 N320R314-V316 PolarHBondContact O-N 3.23Å; R314-V316 VanDerWaalsContact O-N 3.17Å; V316-A318 PolarHBondContact O-N 3.05Å; V316-M319 WeakPolarHBondContact O-CB 3.01Å; V316-M319 PolarHBondContact O-N 3.06Å; V316-N320 PolarHBondContact O-N 3.06Å; V316-N320 PolarHBondContact O-OD1 2.85Å
317E93.6Very high93.8Very high81 Ų8157.5 Ų57.538%0.37929%0.285SS..Hα-helixtrans-54-42.1173.8-62.9164.2-158.800111.6H309 R314 M319 N320 E321H309-E317 HydrophobicContact CB-CB 4.05Å; H309-E317 IonicContact CE1-OE2 3.81Å; H309-E317 PolarHBondContact CE1-OE2 3.35Å; H309-E317 VanDerWaalsContact CE1-OE2 3.24Å; H309-E317 IonicContact CG-OE2 3.61Å; H309-E317 IonicContact ND1-OE2 3.6Å; H309-E317 PolarHBondContact ND1-OE2 2.82Å; R314-E317 HydrophobicContact CB-CB 4.35Å; R314-E317 HydrophobicContact CB-CG 4.44Å; R314-E317 WeakPolarHBondContact CB-OE2 3.3Å; R314-E317 VanDerWaalsContact CD-OE2 3.27Å; R314-E317 WeakPolarHBondContact CD-OE2 3.24Å; R314-E317 IonicContact CZ-OE2 3.14Å; R314-E317 IonicContact NE-OE1 2.72Å; R314-E317 IonicContact NE-OE2 2.85Å; R314-E317 PolarHBondContact NE-OE2 3.25Å; R314-E317 IonicContact NH2-OE2 3.42Å; R314-E317 PolarHBondContact O-N 3.16Å; E317-M319 PolarHBondContact O-N 3.22Å; E317-N320 PolarHBondContact O-N 3.28Å; E317-E321 PolarHBondContact O-N 2.94Å
318A94.1Very high93.8Very high0 Ų058.9 Ų58.90%029%0.291CS..Hα-helixtrans-57.9-42.4174.100000113.5G306 H309 F310 R314 V316 Y322 L342G306-A318 VanDerWaalsContact O-CB 3.25Å; G306-A318 WeakPolarHBondContact O-CB 3.44Å; H309-A318 HydrophobicContact CB-CB 4.14Å; F310-A318 HydrophobicContact CB-CB 3.99Å; R314-A318 WeakPolarHBondContact O-CB 3.31Å; R314-A318 PolarHBondContact O-N 3.08Å; V316-A318 PolarHBondContact O-N 3.05Å; A318-Y322 HydrophobicContact CB-CE2 4.34Å; A318-Y322 WeakPolarHBondContact O-CD2 3.41Å; A318-Y322 PolarHBondContact O-N 2.97Å; A318-Y322 VanDerWaalsContact O-N 3.13Å; A318-L342 HydrophobicContact CB-CD2 4.04Å
319M95.6Very high93.7Very high16 Ų1658 Ų588%0.07929%0.287CS..Hα-helixtrans-65.7-41.5177.4-175.564.673.400111.1V316 E317 Y322 N323 R339 L342 Y343V316-M319 WeakPolarHBondContact O-CB 3.01Å; V316-M319 PolarHBondContact O-N 3.06Å; E317-M319 PolarHBondContact O-N 3.22Å; M319-Y322 PolarHBondContact O-N 2.97Å; M319-N323 PolarHBondContact O-N 3.5Å; M319-R339 HydrophobicContact CE-CG 4.41Å; M319-R339 HydrophobicContact SD-CG 3.64Å; M319-L342 HydrophobicContact CB-CD2 3.84Å; M319-L342 HydrophobicContact CE-CB 4.43Å; M319-L342 HydrophobicContact CE-CD2 3.73Å; M319-L342 HydrophobicContact CE-CG 3.8Å; M319-L342 HydrophobicContact SD-CD2 4.29Å; M319-Y343 HydrophobicContact CE-CD1 3.72Å; M319-Y343 HydrophobicContact CE-CE1 3.39Å; M319-Y343 HydrophobicContact CE-CE2 4.39Å; M319-Y343 HydrophobicContact CE-CG 4.32Å; M319-Y343 HydrophobicContact SD-CE1 4.17Å
320N96Very high93.6Very high81 Ų8160.5 Ų60.543%0.43331%0.306SS..Hα-helixtrans-65.7-42.5-178.5-65.1-0.6000111.3V316 E317 N323 K324V316-N320 PolarHBondContact O-N 3.06Å; V316-N320 PolarHBondContact O-OD1 2.85Å; E317-N320 PolarHBondContact O-N 3.28Å; N320-N323 PolarHBondContact O-N 2.89Å; N320-K324 WeakPolarHBondContact O-CG 3.47Å; N320-K324 PolarHBondContact O-N 2.96Å
321E96.6Very high93.6Very high31 Ų3163.7 Ų63.715%0.14532%0.324CS..Hα-helixtrans-68.1-34175.2-67.9-53.8129.200113.2C302 A305 E317 K324 A325C302-E321 WeakPolarHBondContact CB-O 3.12Å; C302-E321 WeakPolarHBondContact O-CB 3.39Å; C302-E321 PolarHBondContact SG-OE2 3.26Å; A305-E321 HydrophobicContact CB-CG 4.11Å; E317-E321 PolarHBondContact O-N 2.94Å; E321-K324 WeakPolarHBondContact OE1-CE 3.44Å; E321-K324 IonicContact OE1-NZ 2.75Å; E321-K324 PolarHBondContact OE1-NZ 2.9Å; E321-A325 PolarHBondContact O-N 2.84Å
322Y96.1Very high93.7Very high7 Ų759.3 Ų59.33%0.02731%0.306CS..Hα-helixtrans-69.1-34.1172.8-59.1-29.7000112.8G306 V307 A318 M319 A325 L326 A338 R339 L342G306-Y322 PolarHBondContact O-OH 3.35Å; V307-Y322 WeakPolarHBondContact CA-OH 3.36Å; V307-Y322 HydrophobicContact CG2-CE1 4.19Å; V307-Y322 PolarHBondContact N-OH 2.86Å; A318-Y322 HydrophobicContact CB-CE2 4.34Å; A318-Y322 WeakPolarHBondContact O-CD2 3.41Å; A318-Y322 PolarHBondContact O-N 2.97Å; A318-Y322 VanDerWaalsContact O-N 3.13Å; M319-Y322 PolarHBondContact O-N 2.97Å; Y322-A325 PolarHBondContact O-N 3.3Å; Y322-L326 WeakPolarHBondContact O-CG 3.3Å; Y322-L326 PolarHBondContact O-N 3.37Å; Y322-A338 HydrophobicContact CD1-CB 3.98Å; Y322-A338 HydrophobicContact CD2-CB 4.29Å; Y322-A338 HydrophobicContact CE1-CB 3.54Å; Y322-A338 HydrophobicContact CE2-CB 3.89Å; Y322-A338 WeakPolarHBondContact CE2-O 3.44Å; Y322-A338 HydrophobicContact CG-CB 4.35Å; Y322-A338 VanDerWaalsContact CZ-CB 3.49Å; Y322-R339 HydrophobicContact CD2-CB 4.16Å; Y322-R339 HydrophobicContact CG-CB 4.42Å; Y322-L342 HydrophobicContact CD2-CD2 3.99Å; Y322-L342 HydrophobicContact CE2-CB 4.22Å; Y322-L342 HydrophobicContact CE2-CD2 3.88Å
323N96.4Very high93.8Very high43 Ų4354.2 Ų54.223%0.2328%0.283CS..Hα-helixtrans-68.4-46.7173.9-73.3-19.1000111.3M319 N320 A325 L326 E327 R339M319-N323 PolarHBondContact O-N 3.5Å; N320-N323 PolarHBondContact O-N 2.89Å; N323-A325 VanDerWaalsContact C-N 3.26Å; N323-A325 PolarHBondContact O-N 3.37Å; N323-L326 CarbonylContact O-C 3.51Å; N323-L326 WeakPolarHBondContact O-CA 3.5Å; N323-L326 PolarHBondContact O-N 2.87Å; N323-E327 WeakPolarHBondContact O-CG 3.39Å; N323-E327 PolarHBondContact O-N 2.88Å; N323-R339 WeakPolarHBondContact OD1-CD 3.16Å; N323-R339 PolarHBondContact OD1-NH1 3.38Å
324K95Very high93.9Very high88 Ų8854.4 Ų54.438%0.38327%0.273SS..Hα-helixtrans-53.3-41.9172-71.1172.9-173.2175.80112.7N320 E321 L326 E327 I328N320-K324 WeakPolarHBondContact O-CG 3.47Å; N320-K324 PolarHBondContact O-N 2.96Å; E321-K324 WeakPolarHBondContact OE1-CE 3.44Å; E321-K324 IonicContact OE1-NZ 2.75Å; E321-K324 PolarHBondContact OE1-NZ 2.9Å; K324-L326 VanDerWaalsContact C-N 3.26Å; K324-L326 PolarHBondContact O-N 3.06Å; K324-E327 PolarHBondContact O-N 3.12Å; K324-I328 WeakPolarHBondContact O-CD1 3.47Å; K324-I328 VanDerWaalsContact O-CG1 3.26Å; K324-I328 WeakPolarHBondContact O-CG1 3.37Å; K324-I328 PolarHBondContact O-N 2.94Å
325A95.4Very high94Very high0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-60.2-37.1176.700000112.5A299 C302 V303 E321 Y322 N323 D329 A335A299-A325 HydrophobicContact CB-CB 4.28Å; A299-A325 WeakPolarHBondContact CB-O 3.38Å; A299-A325 WeakPolarHBondContact O-CB 3.2Å; C302-A325 HydrophobicContact CB-CB 3.91Å; V303-A325 HydrophobicContact CG2-CB 3.7Å; E321-A325 PolarHBondContact O-N 2.84Å; Y322-A325 PolarHBondContact O-N 3.3Å; N323-A325 VanDerWaalsContact C-N 3.26Å; N323-A325 PolarHBondContact O-N 3.37Å; A325-D329 PolarHBondContact O-N 2.8Å; A325-A335 HydrophobicContact CB-CB 3.8Å
326L95.2Very high94.2Very high18 Ų1846.1 Ų46.19%0.09424%0.239CC..Hα-helixtrans-84.4-19.4178.9-66.4166.8000113.7Y322 N323 K324 T330 N332 A335 L336 R339Y322-L326 WeakPolarHBondContact O-CG 3.3Å; Y322-L326 PolarHBondContact O-N 3.37Å; N323-L326 CarbonylContact O-C 3.51Å; N323-L326 WeakPolarHBondContact O-CA 3.5Å; N323-L326 PolarHBondContact O-N 2.87Å; K324-L326 VanDerWaalsContact C-N 3.26Å; K324-L326 PolarHBondContact O-N 3.06Å; L326-T330 WeakPolarHBondContact O-CA 3.47Å; L326-T330 PolarHBondContact O-N 3.34Å; L326-N332 HydrophobicContact CD2-CB 4.28Å; L326-A335 HydrophobicContact CD1-CB 4.29Å; L326-A335 HydrophobicContact CD2-CB 3.75Å; L326-A335 HydrophobicContact CG-CB 3.74Å; L326-L336 HydrophobicContact CD1-CD2 3.96Å; L326-L336 HydrophobicContact CD2-CD2 3.78Å; L326-L336 HydrophobicContact CD2-CG 3.82Å; L326-R339 VanDerWaalsContact CD1-CZ 3.42Å
327E94.6Very high94.3Very high142 Ų14241.6 Ų41.666%0.66421%0.212SC*.Hα-helixtrans-72.4-32.4166.8-69.8156.3-155.900111.4N323 K324N323-E327 WeakPolarHBondContact O-CG 3.39Å; N323-E327 PolarHBondContact O-N 2.88Å; K324-E327 PolarHBondContact O-N 3.12Å
328I91.4Very high94.4Very high41 Ų4138.2 Ų38.221%0.2120%0.198CC..Hα-helixtrans-84.3-35.9177.9-64.6160.6000112.2S295 W298 A299 K324S295-I328 VanDerWaalsContact O-CG2 3.29Å; S295-I328 WeakPolarHBondContact O-CG2 3.45Å; W298-I328 HydrophobicContact CB-CG2 4.41Å; W298-I328 HydrophobicContact CD2-CD1 3.62Å; W298-I328 HydrophobicContact CD2-CG1 4.45Å; W298-I328 HydrophobicContact CE3-CD1 3.7Å; W298-I328 HydrophobicContact CE3-CG1 4.04Å; W298-I328 HydrophobicContact CE3-CG2 4.21Å; W298-I328 HydrophobicContact CG-CD1 4.02Å; W298-I328 HydrophobicContact CH2-CD1 4.36Å; W298-I328 HydrophobicContact CZ2-CD1 4.29Å; W298-I328 HydrophobicContact CZ3-CD1 4.08Å; W298-I328 HydrophobicContact CZ3-CG1 4.2Å; A299-I328 HydrophobicContact CB-CB 4.22Å; A299-I328 HydrophobicContact CB-CG2 4.06Å; K324-I328 WeakPolarHBondContact O-CD1 3.47Å; K324-I328 VanDerWaalsContact O-CG1 3.26Å; K324-I328 WeakPolarHBondContact O-CG1 3.37Å; K324-I328 PolarHBondContact O-N 2.94Å
329D90.8Very high94.5Very high40 Ų4040.4 Ų40.421%0.21421%0.206CC..  trans-148.489.3-174.2-178.717.4000109A299 A325 D331 N332A299-D329 HydrophobicContact CB-CB 3.52Å; A325-D329 PolarHBondContact O-N 2.8Å; D329-D331 PolarHBondContact O-N 2.84Å; D329-D331 VanDerWaalsContact O-N 3.07Å; D329-N332 HydrophobicContact CB-CB 4.11Å; D329-N332 VanDerWaalsContact O-CB 3.22Å; D329-N332 WeakPolarHBondContact O-CB 3.26Å; D329-N332 PolarHBondContact O-N 3.2Å; D329-N332 VanDerWaalsContact O-N 3.16Å; D329-N332 WeakPolarHBondContact OD2-CB 3.5Å; D329-N332 PolarHBondContact OD2-ND2 3.04Å
330T91.6Very high94.5Very high100 Ų10039.6 Ų39.661%0.61320%0.202SC*.THydrogen-bonded Turntrans-55.5-29.5-174.451.80000113.4L326 N332L326-T330 WeakPolarHBondContact O-CA 3.47Å; L326-T330 PolarHBondContact O-N 3.34Å; T330-N332 VanDerWaalsContact C-N 3.33Å
331D90.9Very high94.3Very high93 Ų9336.1 Ų36.150%0.49718%0.184SC..THydrogen-bonded Turntrans-93.82.2-169.1-60.2-0.7000111.8D329 V333 N362D329-D331 PolarHBondContact O-N 2.84Å; D329-D331 VanDerWaalsContact O-N 3.07Å; D331-V333 PolarHBondContact O-N 2.84Å; D331-N362 WeakPolarHBondContact CA-ND2 3.46Å; D331-N362 WeakPolarHBondContact CB-ND2 3.28Å; D331-N362 PolarHBondContact O-ND2 3.14Å
332N93.3Very high94.2Very high18 Ų1834.7 Ų34.710%0.09618%0.178CC..  trans-65.898.3-169.8-162.3-69.4000112.9L326 D329 T330 E334 A335 L336L326-N332 HydrophobicContact CD2-CB 4.28Å; D329-N332 HydrophobicContact CB-CB 4.11Å; D329-N332 VanDerWaalsContact O-CB 3.22Å; D329-N332 WeakPolarHBondContact O-CB 3.26Å; D329-N332 PolarHBondContact O-N 3.2Å; D329-N332 VanDerWaalsContact O-N 3.16Å; D329-N332 WeakPolarHBondContact OD2-CB 3.5Å; D329-N332 PolarHBondContact OD2-ND2 3.04Å; T330-N332 VanDerWaalsContact C-N 3.33Å; N332-E334 VanDerWaalsContact C-N 3.27Å; N332-E334 PolarHBondContact O-N 3.15Å; N332-E334 PolarHBondContact OD1-N 3.22Å; N332-A335 HydrophobicContact CB-CB 3.91Å; N332-A335 WeakPolarHBondContact O-CB 3.28Å; N332-A335 PolarHBondContact O-N 3.17Å; N332-A335 VanDerWaalsContact O-N 3.07Å; N332-A335 PolarHBondContact OD1-N 2.98Å; N332-A335 VanDerWaalsContact OD1-N 3.08Å; N332-L336 PolarHBondContact O-N 3.18Å
333V94.2Very high94.1Very high22 Ų2236.2 Ų36.213%0.13318%0.184CC..Hα-helixtrans-55.6-37-176.3175.30000113.2D331 V337 A359 N362 C363 H366D331-V333 PolarHBondContact O-N 2.84Å; V333-V337 WeakPolarHBondContact O-CB 3.22Å; V333-V337 VanDerWaalsContact O-CG2 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.46Å; V333-V337 PolarHBondContact O-N 2.95Å; V333-A359 HydrophobicContact CG1-CB 4.25Å; V333-N362 HydrophobicContact CG2-CB 3.75Å; V333-C363 HydrophobicContact CG1-CB 4.05Å; V333-C363 HydrophobicContact CG2-CB 3.86Å; V333-H366 HydrophobicContact CG1-CB 4.2Å; V333-H366 WeakPolarHBondContact CG1-ND1 3.48Å
334E93.1Very high93.9Very high45 Ų4534.8 Ų34.821%0.2118%0.178CC..Hα-helixtrans-74-37.6179-64.2-71.6-167.900111.5V303 N332 V337 A338 H366V303-E334 HydrophobicContact CG1-CB 4.2Å; N332-E334 VanDerWaalsContact C-N 3.27Å; N332-E334 PolarHBondContact O-N 3.15Å; N332-E334 PolarHBondContact OD1-N 3.22Å; E334-V337 PolarHBondContact O-N 3.01Å; E334-A338 VanDerWaalsContact O-CB 3.23Å; E334-A338 WeakPolarHBondContact O-CB 3.47Å; E334-A338 PolarHBondContact O-N 3.44Å; E334-H366 IonicContact OE2-CE1 3.9Å
335A94.9Very high93.6Very high0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-64.2-45.8173.300000111.8V303 A325 L326 N332 V337 A338 R339V303-A335 HydrophobicContact CG2-CB 3.46Å; V303-A335 VanDerWaalsContact CG2-CB 3.46Å; A325-A335 HydrophobicContact CB-CB 3.8Å; L326-A335 HydrophobicContact CD1-CB 4.29Å; L326-A335 HydrophobicContact CD2-CB 3.75Å; L326-A335 HydrophobicContact CG-CB 3.74Å; N332-A335 HydrophobicContact CB-CB 3.91Å; N332-A335 WeakPolarHBondContact O-CB 3.28Å; N332-A335 PolarHBondContact O-N 3.17Å; N332-A335 VanDerWaalsContact O-N 3.07Å; N332-A335 PolarHBondContact OD1-N 2.98Å; N332-A335 VanDerWaalsContact OD1-N 3.08Å; A335-V337 PolarHBondContact O-N 3.27Å; A335-A338 PolarHBondContact O-N 2.86Å; A335-R339 VanDerWaalsContact O-CB 3.29Å; A335-R339 WeakPolarHBondContact O-CB 3.46Å; A335-R339 PolarHBondContact O-N 3.03Å
336L96.5Very high93.4Very high6 Ų640 Ų403%0.03121%0.205CC..Hα-helixtrans-58.5-46.4174.6-69.6173.8000111.5L326 N332 G340 L358 A359L326-L336 HydrophobicContact CD1-CD2 3.96Å; L326-L336 HydrophobicContact CD2-CD2 3.78Å; L326-L336 HydrophobicContact CD2-CG 3.82Å; N332-L336 PolarHBondContact O-N 3.18Å; L336-G340 PolarHBondContact O-N 3.33Å; L336-L358 HydrophobicContact CD1-CB 3.89Å; L336-A359 HydrophobicContact CB-CB 3.92Å; L336-A359 HydrophobicContact CD1-CB 4.26Å
337V95.8Very high93Very high1 Ų141 Ų411%0.00622%0.22CC..Hα-helixtrans-66.8-41.4178.6167.80000112.3V333 E334 A335 A341 F356 A359 A369 Y372 I716V333-V337 WeakPolarHBondContact O-CB 3.22Å; V333-V337 VanDerWaalsContact O-CG2 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.46Å; V333-V337 PolarHBondContact O-N 2.95Å; E334-V337 PolarHBondContact O-N 3.01Å; A335-V337 PolarHBondContact O-N 3.27Å; V337-A341 WeakPolarHBondContact O-CB 3.35Å; V337-A341 PolarHBondContact O-N 3.03Å; V337-F356 HydrophobicContact CB-CE1 4.43Å; V337-F356 HydrophobicContact CG1-CE1 4.22Å; V337-F356 HydrophobicContact CG2-CD1 4.21Å; V337-F356 WeakPolarHBondContact O-CE1 3.25Å; V337-A359 HydrophobicContact CG2-CB 3.82Å; V337-A369 HydrophobicContact CG2-CB 3.65Å; V337-Y372 HydrophobicContact CG1-CD2 4.08Å; V337-Y372 HydrophobicContact CG1-CE2 4.31Å; V337-I716 HydrophobicContact CG1-CD1 4.33Å
338A94.4Very high92.9Very high11 Ų1136.5 Ų36.59%0.09120%0.204CC..Hα-helixtrans-67.9-39.117900000111.9V303 Y322 E334 A335 L342V303-A338 HydrophobicContact CG1-CB 4.48Å; Y322-A338 HydrophobicContact CD1-CB 3.98Å; Y322-A338 HydrophobicContact CD2-CB 4.29Å; Y322-A338 HydrophobicContact CE1-CB 3.54Å; Y322-A338 HydrophobicContact CE2-CB 3.89Å; Y322-A338 WeakPolarHBondContact CE2-O 3.44Å; Y322-A338 HydrophobicContact CG-CB 4.35Å; Y322-A338 VanDerWaalsContact CZ-CB 3.49Å; E334-A338 VanDerWaalsContact O-CB 3.23Å; E334-A338 WeakPolarHBondContact O-CB 3.47Å; E334-A338 PolarHBondContact O-N 3.44Å; A335-A338 PolarHBondContact O-N 2.86Å; A338-L342 WeakPolarHBondContact O-CB 3.35Å; A338-L342 PolarHBondContact O-N 3.45Å
339R96.1Very high93Very high45 Ų4535.1 Ų35.117%0.1720%0.197CC..Hα-helixtrans-69.3-43.7174.3-162.717769.5-173.3-4.3112.3M319 Y322 N323 L326 A335 A341 L342 Y343 D355M319-R339 HydrophobicContact CE-CG 4.41Å; M319-R339 HydrophobicContact SD-CG 3.64Å; Y322-R339 HydrophobicContact CD2-CB 4.16Å; Y322-R339 HydrophobicContact CG-CB 4.42Å; N323-R339 WeakPolarHBondContact OD1-CD 3.16Å; N323-R339 PolarHBondContact OD1-NH1 3.38Å; L326-R339 VanDerWaalsContact CD1-CZ 3.42Å; A335-R339 VanDerWaalsContact O-CB 3.29Å; A335-R339 WeakPolarHBondContact O-CB 3.46Å; A335-R339 PolarHBondContact O-N 3.03Å; R339-A341 VanDerWaalsContact C-N 3.33Å; R339-A341 PolarHBondContact O-N 3.06Å; R339-L342 CarbonylContact O-C 3.4Å; R339-L342 WeakPolarHBondContact O-CB 3.32Å; R339-L342 PolarHBondContact O-N 2.84Å; R339-L342 VanDerWaalsContact O-N 3.1Å; R339-Y343 HydrophobicContact CG-CD2 4.06Å; R339-Y343 HydrophobicContact CG-CE2 3.7Å; R339-Y343 WeakPolarHBondContact O-CD2 3.44Å; R339-Y343 PolarHBondContact O-N 3.02Å; R339-D355 IonicContact CZ-OD1 2.66Å; R339-D355 IonicContact CZ-OD2 3.37Å; R339-D355 IonicContact NE-OD1 3.51Å; R339-D355 IonicContact NE-OD2 3.46Å; R339-D355 PolarHBondContact NE-OD2 3.4Å; R339-D355 IonicContact NH2-OD1 3.24Å; R339-D355 PolarHBondContact NH2-OD1 3.11Å; R339-D355 IonicContact NH2-OD2 3.2Å
340G95.4Very high93.1Very high0 Ų037.5 Ų37.50%021%0.212CC..Hα-helixtrans-59.1-43.1174.900000112.2L336 L342 Y343 A344 A352 D355L336-G340 PolarHBondContact O-N 3.33Å; G340-L342 VanDerWaalsContact C-N 3.34Å; G340-L342 PolarHBondContact O-N 3.5Å; G340-Y343 PolarHBondContact O-N 2.89Å; G340-A344 PolarHBondContact O-N 2.57Å; G340-A352 WeakPolarHBondContact O-CB 3.4Å; G340-D355 PolarHBondContact N-OD2 3.4Å
341A93.5Very high93.3Very high7 Ų738.4 Ų38.46%0.05821%0.208CC..Hα-helixtrans-64.6-37.2174.500000112.3V337 R339 A344 N345 F356 L713V337-A341 WeakPolarHBondContact O-CB 3.35Å; V337-A341 PolarHBondContact O-N 3.03Å; R339-A341 VanDerWaalsContact C-N 3.33Å; R339-A341 PolarHBondContact O-N 3.06Å; A341-A344 PolarHBondContact O-N 3.03Å; A341-N345 VanDerWaalsContact O-CG 3.31Å; A341-N345 PolarHBondContact O-N 2.98Å; A341-N345 PolarHBondContact O-ND2 3.11Å; A341-F356 HydrophobicContact CB-CZ 4.26Å; A341-F356 VanDerWaalsContact N-CZ 3.28Å; A341-L713 HydrophobicContact CB-CD2 4.3Å
342L93.5Very high93.5Very high2 Ų234 Ų341%0.0118%0.184CC..Hα-helixtrans-67.4-39.7174.1-178.554.7000112.4F310 H315 A318 M319 Y322 A338 R339 G340 N345 K346F310-L342 HydrophobicContact CD2-CD1 3.87Å; F310-L342 HydrophobicContact CE2-CD1 3.84Å; H315-L342 HydrophobicContact CB-CD1 4.13Å; A318-L342 HydrophobicContact CB-CD2 4.04Å; M319-L342 HydrophobicContact CB-CD2 3.84Å; M319-L342 HydrophobicContact CE-CB 4.43Å; M319-L342 HydrophobicContact CE-CD2 3.73Å; M319-L342 HydrophobicContact CE-CG 3.8Å; M319-L342 HydrophobicContact SD-CD2 4.29Å; Y322-L342 HydrophobicContact CD2-CD2 3.99Å; Y322-L342 HydrophobicContact CE2-CB 4.22Å; Y322-L342 HydrophobicContact CE2-CD2 3.88Å; A338-L342 WeakPolarHBondContact O-CB 3.35Å; A338-L342 PolarHBondContact O-N 3.45Å; R339-L342 CarbonylContact O-C 3.4Å; R339-L342 WeakPolarHBondContact O-CB 3.32Å; R339-L342 PolarHBondContact O-N 2.84Å; R339-L342 VanDerWaalsContact O-N 3.1Å; G340-L342 VanDerWaalsContact C-N 3.34Å; G340-L342 PolarHBondContact O-N 3.5Å; L342-N345 PolarHBondContact O-N 3.34Å; L342-K346 PolarHBondContact O-N 3.22Å
343Y95Very high93.6Very high38 Ų3834 Ų3415%0.14919%0.185CC..Hα-helixtrans-64.1-40.2172.3-77.9-48.9000112.3M319 R339 G340 K346 G347 S348 K351 D355M319-Y343 HydrophobicContact CE-CD1 3.72Å; M319-Y343 HydrophobicContact CE-CE1 3.39Å; M319-Y343 HydrophobicContact CE-CE2 4.39Å; M319-Y343 HydrophobicContact CE-CG 4.32Å; M319-Y343 HydrophobicContact SD-CE1 4.17Å; R339-Y343 HydrophobicContact CG-CD2 4.06Å; R339-Y343 HydrophobicContact CG-CE2 3.7Å; R339-Y343 WeakPolarHBondContact O-CD2 3.44Å; R339-Y343 PolarHBondContact O-N 3.02Å; G340-Y343 PolarHBondContact O-N 2.89Å; Y343-K346 CarbonylContact O-C 3.51Å; Y343-K346 PolarHBondContact O-N 3.06Å; Y343-G347 PolarHBondContact O-N 3.03Å; Y343-S348 WeakPolarHBondContact O-CA 3.33Å; Y343-S348 WeakPolarHBondContact O-CB 3.28Å; Y343-S348 PolarHBondContact O-N 2.64Å; Y343-K351 HydrophobicContact CD1-CB 4.2Å; Y343-K351 HydrophobicContact CD1-CD 4.29Å; Y343-K351 HydrophobicContact CD2-CB 3.72Å; Y343-K351 HydrophobicContact CE1-CB 4.49Å; Y343-K351 HydrophobicContact CE1-CD 3.94Å; Y343-K351 HydrophobicContact CE2-CB 4Å; Y343-K351 HydrophobicContact CE2-CD 4.42Å; Y343-K351 HydrophobicContact CG-CB 3.84Å; Y343-D355 WeakPolarHBondContact CD2-OD2 3.26Å; Y343-D355 WeakPolarHBondContact CE2-OD2 3.48Å
344A91.8Very high93.7Very high14 Ų1435.6 Ų35.612%0.11620%0.196CC..Hα-helixtrans-60.7-46.9175.500000111.6G340 A341 K346 G347 M349 A352 T376G340-A344 PolarHBondContact O-N 2.57Å; A341-A344 PolarHBondContact O-N 3.03Å; A344-K346 VanDerWaalsContact C-N 3.27Å; A344-K346 PolarHBondContact O-N 3.29Å; A344-G347 WeakPolarHBondContact O-CA 3.45Å; A344-G347 PolarHBondContact O-N 3.47Å; A344-M349 HydrophobicContact CB-SD 4.18Å; A344-M349 WeakPolarHBondContact O-CE 3.32Å; A344-A352 HydrophobicContact CB-CB 3.98Å; A344-T376 HydrophobicContact CB-CG2 3.48Å; A344-T376 VanDerWaalsContact CB-CG2 3.48Å
345N89.1Confident93.9Very high92 Ų9233.8 Ų33.849%0.49219%0.188SC..Hα-helixtrans-62.7-30.8175.6-71.8-41.7000112.9A341 L342 G347A341-N345 VanDerWaalsContact O-CG 3.31Å; A341-N345 PolarHBondContact O-N 2.98Å; A341-N345 PolarHBondContact O-ND2 3.11Å; L342-N345 PolarHBondContact O-N 3.34Å; N345-G347 VanDerWaalsContact C-N 3.26Å; N345-G347 PolarHBondContact O-N 3.15Å
346K89.6Confident93.9Very high105 Ų10533.8 Ų33.846%0.45719%0.188SC..THydrogen-bonded Turntrans-82.810.6170.2-69.6-170.4179-173.50113.9H315 L342 Y343 A344 S348H315-K346 PolarHBondContact O-NZ 2.67Å; L342-K346 PolarHBondContact O-N 3.22Å; Y343-K346 CarbonylContact O-C 3.51Å; Y343-K346 PolarHBondContact O-N 3.06Å; A344-K346 VanDerWaalsContact C-N 3.27Å; A344-K346 PolarHBondContact O-N 3.29Å; K346-S348 PolarHBondContact O-N 3.25Å; K346-S348 VanDerWaalsContact O-N 3.11Å
347G87.8Confident93.9Very high38 Ų3835.7 Ų35.739%0.39220%0.197SC..THydrogen-bonded Turntrans70.50.4-179.300000115.6Y343 A344 N345 M349Y343-G347 PolarHBondContact O-N 3.03Å; A344-G347 WeakPolarHBondContact O-CA 3.45Å; A344-G347 PolarHBondContact O-N 3.47Å; N345-G347 VanDerWaalsContact C-N 3.26Å; N345-G347 PolarHBondContact O-N 3.15Å; G347-M349 PolarHBondContact O-N 3.33Å
348S93.2Very high93.9Very high48 Ų4839.4 Ų39.434%0.33622%0.216SC..  trans-7952.5-177.4-66.90000112.3Y343 K346 V350 K351 A352Y343-S348 WeakPolarHBondContact O-CA 3.33Å; Y343-S348 WeakPolarHBondContact O-CB 3.28Å; Y343-S348 PolarHBondContact O-N 2.64Å; K346-S348 PolarHBondContact O-N 3.25Å; K346-S348 VanDerWaalsContact O-N 3.11Å; S348-V350 PolarHBondContact O-N 3.5Å; S348-K351 PolarHBondContact O-N 2.8Å; S348-A352 PolarHBondContact O-N 2.69Å; S348-A352 VanDerWaalsContact O-N 3.16Å
349M92Very high93.9Very high12 Ų1238.9 Ų38.96%0.05921%0.212CC..Hα-helixtrans-54.8-33.6-167.2-61-54.6178.600114.3A344 G347 A352 I353 T376 E379 R380A344-M349 HydrophobicContact CB-SD 4.18Å; A344-M349 WeakPolarHBondContact O-CE 3.32Å; G347-M349 PolarHBondContact O-N 3.33Å; M349-A352 PolarHBondContact O-N 2.74Å; M349-I353 WeakPolarHBondContact O-CB 3.35Å; M349-I353 WeakPolarHBondContact O-CD1 3.42Å; M349-I353 WeakPolarHBondContact O-CG1 3.46Å; M349-I353 PolarHBondContact O-N 3.42Å; M349-T376 HydrophobicContact SD-CG2 3.99Å; M349-E379 HydrophobicContact CE-CB 3.97Å; M349-E379 WeakPolarHBondContact CE-OE2 3.23Å; M349-R380 HydrophobicContact CB-CB 4.05Å; M349-R380 HydrophobicContact CB-CG 4.31Å; M349-R380 HydrophobicContact CG-CB 4.48Å
350V94.4Very high93.8Very high90 Ų9037.9 Ų37.955%0.54521%0.21SC..Hα-helixtrans-66.4-40179.3-177.30000111.8S348 S354S348-V350 PolarHBondContact O-N 3.5Å; V350-S354 PolarHBondContact O-N 3.23Å; V350-S354 VanDerWaalsContact O-N 3.16Å; V350-S354 PolarHBondContact O-OG 3.21Å
351K94.9Very high93.8Very high120 Ų12044.4 Ų44.452%0.52224%0.24SC..Hα-helixtrans-72-36175.8-64.9-172.6177.6-176.20111.8Y343 S348 S354 D355Y343-K351 HydrophobicContact CD1-CB 4.2Å; Y343-K351 HydrophobicContact CD1-CD 4.29Å; Y343-K351 HydrophobicContact CD2-CB 3.72Å; Y343-K351 HydrophobicContact CE1-CB 4.49Å; Y343-K351 HydrophobicContact CE1-CD 3.94Å; Y343-K351 HydrophobicContact CE2-CB 4Å; Y343-K351 HydrophobicContact CE2-CD 4.42Å; Y343-K351 HydrophobicContact CG-CB 3.84Å; S348-K351 PolarHBondContact O-N 2.8Å; K351-S354 WeakPolarHBondContact CA-OG 3.36Å; K351-S354 PolarHBondContact O-N 2.75Å; K351-S354 PolarHBondContact O-OG 2.87Å; K351-D355 PolarHBondContact O-N 3.3Å
352A95.1Very high93.7Very high0 Ų047.4 Ų47.40%026%0.255CS..Hα-helixtrans-60.9-47173.100000111.9G340 A344 S348 M349 S354 D355 F356 T376G340-A352 WeakPolarHBondContact O-CB 3.4Å; A344-A352 HydrophobicContact CB-CB 3.98Å; S348-A352 PolarHBondContact O-N 2.69Å; S348-A352 VanDerWaalsContact O-N 3.16Å; M349-A352 PolarHBondContact O-N 2.74Å; A352-S354 PolarHBondContact O-N 2.97Å; A352-D355 PolarHBondContact O-N 2.86Å; A352-F356 HydrophobicContact CB-CD2 4.48Å; A352-F356 HydrophobicContact CB-CE2 4.09Å; A352-F356 WeakPolarHBondContact O-CD2 3.44Å; A352-F356 VanDerWaalsContact O-CG 3.31Å; A352-F356 WeakPolarHBondContact O-CG 3.48Å; A352-F356 PolarHBondContact O-N 2.97Å; A352-T376 HydrophobicContact CB-CG2 4.16Å
353I95.9Very high93.6Very high19 Ų1950.1 Ų50.110%0.09727%0.274CS..Hα-helixtrans-60-45178.1-74.7165.3000111M349 F356 E357 L373 L377 R380M349-I353 WeakPolarHBondContact O-CB 3.35Å; M349-I353 WeakPolarHBondContact O-CD1 3.42Å; M349-I353 WeakPolarHBondContact O-CG1 3.46Å; M349-I353 PolarHBondContact O-N 3.42Å; I353-F356 PolarHBondContact O-N 3.4Å; I353-E357 WeakPolarHBondContact CG2-OE1 3.38Å; I353-E357 WeakPolarHBondContact O-CB 3.47Å; I353-E357 VanDerWaalsContact O-CG 3.31Å; I353-E357 WeakPolarHBondContact O-CG 3.49Å; I353-E357 PolarHBondContact O-N 3.21Å; I353-L373 HydrophobicContact CB-CD1 4.32Å; I353-L373 HydrophobicContact CG1-CD1 4.15Å; I353-L373 HydrophobicContact CG2-CD1 4.07Å; I353-L377 HydrophobicContact CD1-CD2 4.04Å; I353-L377 HydrophobicContact CG1-CD2 4.4Å; I353-R380 HydrophobicContact CD1-CB 3.99Å; I353-R380 HydrophobicContact CD1-CG 4.13Å
354S96.6Very high93.5Very high55 Ų5552.2 Ų52.239%0.38529%0.292SS..Hα-helixtrans-65-42.3176.854.10000113.5V350 K351 A352 F356 E357 L358V350-S354 PolarHBondContact O-N 3.23Å; V350-S354 VanDerWaalsContact O-N 3.16Å; V350-S354 PolarHBondContact O-OG 3.21Å; K351-S354 WeakPolarHBondContact CA-OG 3.36Å; K351-S354 PolarHBondContact O-N 2.75Å; K351-S354 PolarHBondContact O-OG 2.87Å; A352-S354 PolarHBondContact O-N 2.97Å; S354-F356 PolarHBondContact O-N 3.12Å; S354-E357 PolarHBondContact O-N 2.69Å; S354-L358 WeakPolarHBondContact O-CG 3.47Å; S354-L358 PolarHBondContact O-N 2.99Å
355D95.8Very high93.4Very high7 Ų757.9 Ų57.94%0.03732%0.321CS..Hα-helixtrans-63.2-40.8177.2-80.4-6.2000111.4R339 G340 Y343 K351 A352 A359R339-D355 IonicContact CZ-OD1 2.66Å; R339-D355 IonicContact CZ-OD2 3.37Å; R339-D355 IonicContact NE-OD1 3.51Å; R339-D355 IonicContact NE-OD2 3.46Å; R339-D355 PolarHBondContact NE-OD2 3.4Å; R339-D355 IonicContact NH2-OD1 3.24Å; R339-D355 PolarHBondContact NH2-OD1 3.11Å; R339-D355 IonicContact NH2-OD2 3.2Å; G340-D355 PolarHBondContact N-OD2 3.4Å; Y343-D355 WeakPolarHBondContact CD2-OD2 3.26Å; Y343-D355 WeakPolarHBondContact CE2-OD2 3.48Å; K351-D355 PolarHBondContact O-N 3.3Å; A352-D355 PolarHBondContact O-N 2.86Å; D355-A359 WeakPolarHBondContact O-CB 3.27Å; D355-A359 PolarHBondContact O-N 2.81Å
356F96Very high93.5Very high0 Ų054.9 Ų54.90%030%0.303CS..Hα-helixtrans-71.7-29.2176.3-63.5-46000113.9V337 A341 A352 I353 S354 L360 Y372 L373 T376V337-F356 HydrophobicContact CB-CE1 4.43Å; V337-F356 HydrophobicContact CG1-CE1 4.22Å; V337-F356 HydrophobicContact CG2-CD1 4.21Å; V337-F356 WeakPolarHBondContact O-CE1 3.25Å; A341-F356 HydrophobicContact CB-CZ 4.26Å; A341-F356 VanDerWaalsContact N-CZ 3.28Å; A352-F356 HydrophobicContact CB-CD2 4.48Å; A352-F356 HydrophobicContact CB-CE2 4.09Å; A352-F356 WeakPolarHBondContact O-CD2 3.44Å; A352-F356 VanDerWaalsContact O-CG 3.31Å; A352-F356 WeakPolarHBondContact O-CG 3.48Å; A352-F356 PolarHBondContact O-N 2.97Å; I353-F356 PolarHBondContact O-N 3.4Å; S354-F356 PolarHBondContact O-N 3.12Å; F356-L360 WeakPolarHBondContact O-CG 3.43Å; F356-L360 PolarHBondContact O-N 2.86Å; F356-Y372 HydrophobicContact CE1-CD2 4.28Å; F356-Y372 HydrophobicContact CE1-CG 4.27Å; F356-Y372 HydrophobicContact CZ-CD2 4.47Å; F356-Y372 HydrophobicContact CZ-CG 4.04Å; F356-L373 HydrophobicContact CB-CB 3.94Å; F356-L373 HydrophobicContact CB-CD1 4.15Å; F356-L373 HydrophobicContact CB-CG 4.44Å; F356-L373 HydrophobicContact CD2-CB 4.45Å; F356-L373 HydrophobicContact CG-CB 4.46Å; F356-T376 HydrophobicContact CE2-CG2 3.86Å
357E95.4Very high93.6Very high46 Ų4658.7 Ų58.722%0.21532%0.315CS..Hα-helixtrans-69.3-47.8174.1-76.7177.6-138.700110.9I353 S354 A359 L360 E361 L373 R399I353-E357 WeakPolarHBondContact CG2-OE1 3.38Å; I353-E357 WeakPolarHBondContact O-CB 3.47Å; I353-E357 VanDerWaalsContact O-CG 3.31Å; I353-E357 WeakPolarHBondContact O-CG 3.49Å; I353-E357 PolarHBondContact O-N 3.21Å; S354-E357 PolarHBondContact O-N 2.69Å; E357-A359 VanDerWaalsContact C-N 3.29Å; E357-A359 PolarHBondContact O-N 2.88Å; E357-L360 CarbonylContact O-C 3.55Å; E357-L360 WeakPolarHBondContact O-CA 3.49Å; E357-L360 PolarHBondContact O-N 2.99Å; E357-E361 PolarHBondContact O-N 3.34Å; E357-L373 HydrophobicContact CG-CD1 4.27Å; E357-L373 HydrophobicContact CG-CD2 3.93Å; E357-R399 IonicContact OE1-CZ 2.68Å; E357-R399 VanDerWaalsContact OE1-CZ 3.28Å; E357-R399 IonicContact OE1-NH1 2.67Å; E357-R399 PolarHBondContact OE1-NH1 2.88Å; E357-R399 IonicContact OE1-NH2 2.69Å; E357-R399 PolarHBondContact OE1-NH2 2.77Å; E357-R399 IonicContact OE2-CZ 3.12Å; E357-R399 IonicContact OE2-NH1 3.92Å; E357-R399 PolarHBondContact OE2-NH1 3.19Å; E357-R399 IonicContact OE2-NH2 3.68Å; E357-R399 PolarHBondContact OE2-NH2 2.94Å
358L95.7Very high93.6Very high79 Ų7957.1 Ų57.141%0.41430%0.298SS..Hα-helixtrans-57.6-41.2173.1-68.4168.5000111.9L336 S354 L360 E361 N362L336-L358 HydrophobicContact CD1-CB 3.89Å; S354-L358 WeakPolarHBondContact O-CG 3.47Å; S354-L358 PolarHBondContact O-N 2.99Å; L358-L360 PolarHBondContact O-N 3.48Å; L358-E361 PolarHBondContact O-N 2.95Å; L358-N362 PolarHBondContact O-N 3.04Å
359A95.1Very high93.6Very high0 Ų054.9 Ų54.90%028%0.282CS..Hα-helixtrans-61.7-28.1175.500000113.5V333 L336 V337 D355 E357 C363 A369V333-A359 HydrophobicContact CG1-CB 4.25Å; L336-A359 HydrophobicContact CB-CB 3.92Å; L336-A359 HydrophobicContact CD1-CB 4.26Å; V337-A359 HydrophobicContact CG2-CB 3.82Å; D355-A359 WeakPolarHBondContact O-CB 3.27Å; D355-A359 PolarHBondContact O-N 2.81Å; E357-A359 VanDerWaalsContact C-N 3.29Å; E357-A359 PolarHBondContact O-N 2.88Å; A359-C363 PolarHBondContact O-N 2.96Å; A359-A369 HydrophobicContact CB-CB 4.17Å
360L94.4Very high93.6Very high23 Ų2357.2 Ų57.212%0.1229%0.292CS..Hα-helixtrans-91.9-21.2176.6-71.1173.2000113.6F356 E357 L358 C363 P364 H366 A369 K370 L373F356-L360 WeakPolarHBondContact O-CG 3.43Å; F356-L360 PolarHBondContact O-N 2.86Å; E357-L360 CarbonylContact O-C 3.55Å; E357-L360 WeakPolarHBondContact O-CA 3.49Å; E357-L360 PolarHBondContact O-N 2.99Å; L358-L360 PolarHBondContact O-N 3.48Å; L360-C363 CarbonylContact O-C 3.59Å; L360-P364 WeakPolarHBondContact O-CA 3.24Å; L360-P364 WeakPolarHBondContact O-CD 3.36Å; L360-P364 WeakPolarHBondContact O-CG 3.5Å; L360-P364 VanDerWaalsContact O-N 3.17Å; L360-H366 HydrophobicContact CD2-CB 4.4Å; L360-A369 HydrophobicContact CD1-CB 4.38Å; L360-A369 HydrophobicContact CD2-CB 3.73Å; L360-A369 HydrophobicContact CG-CB 3.78Å; L360-K370 HydrophobicContact CD1-CG 4.16Å; L360-K370 HydrophobicContact CD2-CG 3.67Å; L360-L373 HydrophobicContact CD1-CD2 3.68Å
361E95Very high93.5Very high137 Ų13757 Ų5764%0.6428%0.283SS*.Hα-helixtrans-67.8-42.9166.5-70.9-179.8169.900110E357 L358E357-E361 PolarHBondContact O-N 3.34Å; L358-E361 PolarHBondContact O-N 2.95Å
362N91.8Very high93.4Very high70 Ų7052 Ų5237%0.37426%0.261SS..Hα-helixtrans-74.7-39.8177.2-67.6-2.3000113.2D331 V333 L358D331-N362 WeakPolarHBondContact CA-ND2 3.46Å; D331-N362 WeakPolarHBondContact CB-ND2 3.28Å; D331-N362 PolarHBondContact O-ND2 3.14Å; V333-N362 HydrophobicContact CG2-CB 3.75Å; L358-N362 PolarHBondContact O-N 3.04Å
363C91.7Very high93.3Very high59 Ų5952.1 Ų52.140%0.39926%0.262SS..  trans-13385.2176.5-88.60000112.1V333 A359 L360 D365 H366V333-C363 HydrophobicContact CG1-CB 4.05Å; V333-C363 HydrophobicContact CG2-CB 3.86Å; A359-C363 PolarHBondContact O-N 2.96Å; L360-C363 CarbonylContact O-C 3.59Å; C363-D365 PolarHBondContact O-N 3.29Å; C363-H366 HydrophobicContact CB-CB 4.03Å; C363-H366 WeakPolarHBondContact O-CB 3.47Å; C363-H366 PolarHBondContact O-N 3.15Å
364P91.3Very high93.2Very high82 Ų8251.3 Ų51.353%0.53226%0.258SS..THydrogen-bonded Turntrans-57.6-15.1-175.8-2935.7000117L360 K370L360-P364 WeakPolarHBondContact O-CA 3.24Å; L360-P364 WeakPolarHBondContact O-CD 3.36Å; L360-P364 WeakPolarHBondContact O-CG 3.5Å; L360-P364 VanDerWaalsContact O-N 3.17Å; P364-K370 WeakPolarHBondContact O-CE 3.36Å; P364-K370 PolarHBondContact O-NZ 3.13Å
365D90.7Very high92.9Very high134 Ų13453 Ų5372%0.71726%0.26SS*.THydrogen-bonded Turntrans-111.816.2176.6-78.6-41.9000114.8C363 R367 K370C363-D365 PolarHBondContact O-N 3.29Å; D365-R367 PolarHBondContact O-N 3.17Å; D365-K370 IonicContact OD1-NZ 2.87Å; D365-K370 PolarHBondContact OD1-NZ 3.14Å
366H91.6Very high92.8Very high28 Ų2852.9 Ų52.913%0.1326%0.26CS..  trans-68.2100.1176.8-168-142.9000112.1V333 E334 L360 C363 N368 A369 K370V333-H366 HydrophobicContact CG1-CB 4.2Å; V333-H366 WeakPolarHBondContact CG1-ND1 3.48Å; E334-H366 IonicContact OE2-CE1 3.9Å; L360-H366 HydrophobicContact CD2-CB 4.4Å; C363-H366 HydrophobicContact CB-CB 4.03Å; C363-H366 WeakPolarHBondContact O-CB 3.47Å; C363-H366 PolarHBondContact O-N 3.15Å; H366-N368 VanDerWaalsContact C-N 3.26Å; H366-N368 PolarHBondContact NE2-ND2 3.25Å; H366-N368 PolarHBondContact O-N 3.08Å; H366-A369 HydrophobicContact CB-CB 4.11Å; H366-A369 PolarHBondContact O-N 3.08Å; H366-A369 VanDerWaalsContact O-N 3.15Å; H366-K370 PolarHBondContact O-N 3.02Å
367R90.6Very high92.8Very high185 Ų18552.9 Ų52.970%0.69826%0.26SS*.Hα-helixtrans-52.5-41.1-174.6-63.417768.3-159.81.6113.2D365 K371D365-R367 PolarHBondContact O-N 3.17Å; R367-K371 WeakPolarHBondContact O-CB 3.49Å; R367-K371 PolarHBondContact O-N 3.02Å; R367-K371 VanDerWaalsContact O-N 3.07Å
368N89.4Confident92.6Very high6 Ų650.9 Ų50.93%0.03225%0.25CS..Hα-helixtrans-71.6-43.2-177.2-57-42.8000110.7H366 K371 Y372 I716 Q719H366-N368 VanDerWaalsContact C-N 3.26Å; H366-N368 PolarHBondContact NE2-ND2 3.25Å; H366-N368 PolarHBondContact O-N 3.08Å; N368-K371 PolarHBondContact O-N 2.99Å; N368-Y372 HydrophobicContact CB-CD2 4.43Å; N368-Y372 HydrophobicContact CB-CE2 4.15Å; N368-Y372 WeakPolarHBondContact O-CD2 3.22Å; N368-Y372 PolarHBondContact O-N 3.37Å; N368-I716 HydrophobicContact CB-CG1 4.44Å; N368-Q719 PolarHBondContact ND2-OE1 3.37Å
369A92Very high92.5Very high0 Ų050 Ų500%024%0.244CC..Hα-helixtrans-60.2-45.9173.700000112.2V337 A359 L360 H366 K371 Y372 L373V337-A369 HydrophobicContact CG2-CB 3.65Å; A359-A369 HydrophobicContact CB-CB 4.17Å; L360-A369 HydrophobicContact CD1-CB 4.38Å; L360-A369 HydrophobicContact CD2-CB 3.73Å; L360-A369 HydrophobicContact CG-CB 3.78Å; H366-A369 HydrophobicContact CB-CB 4.11Å; H366-A369 PolarHBondContact O-N 3.08Å; H366-A369 VanDerWaalsContact O-N 3.15Å; A369-K371 VanDerWaalsContact C-N 3.35Å; A369-K371 PolarHBondContact O-N 3.3Å; A369-Y372 PolarHBondContact O-N 3.3Å; A369-L373 VanDerWaalsContact O-CB 3.24Å; A369-L373 WeakPolarHBondContact O-CB 3.48Å; A369-L373 PolarHBondContact O-N 2.83Å
370K92.6Very high92.4Very high62 Ų6252.8 Ų52.827%0.2726%0.255SS..Hα-helixtrans-55.5-48.7174.2-67.9-173.8-179.4171.70111.3L360 P364 D365 H366 L373 C374L360-K370 HydrophobicContact CD1-CG 4.16Å; L360-K370 HydrophobicContact CD2-CG 3.67Å; P364-K370 WeakPolarHBondContact O-CE 3.36Å; P364-K370 PolarHBondContact O-NZ 3.13Å; D365-K370 IonicContact OD1-NZ 2.87Å; D365-K370 PolarHBondContact OD1-NZ 3.14Å; H366-K370 PolarHBondContact O-N 3.02Å; K370-L373 PolarHBondContact O-N 3.03Å; K370-C374 PolarHBondContact O-N 2.91Å; K370-C374 PolarHBondContact O-SG 3.3Å
371K91.5Very high92.3Very high84 Ų8451.7 Ų51.737%0.36525%0.249SC..Hα-helixtrans-59.9-50.2-179.8-177.2176.9176.8178.30112.4R367 N368 A369 C374 Q375 D715R367-K371 WeakPolarHBondContact O-CB 3.49Å; R367-K371 PolarHBondContact O-N 3.02Å; R367-K371 VanDerWaalsContact O-N 3.07Å; N368-K371 PolarHBondContact O-N 2.99Å; A369-K371 VanDerWaalsContact C-N 3.35Å; A369-K371 PolarHBondContact O-N 3.3Å; K371-C374 PolarHBondContact O-N 3.35Å; K371-Q375 WeakPolarHBondContact O-CG 3.47Å; K371-Q375 PolarHBondContact O-N 2.88Å; K371-Q375 VanDerWaalsContact O-N 3.09Å; K371-D715 IonicContact NZ-OD2 3.34Å
372Y92.6Very high92.2Very high15 Ų1548.7 Ų48.76%0.05923%0.234CC..Hα-helixtrans-73.2-31.2-179.1-64-59.9000113.5V337 F356 N368 A369 Q375 T376 S712 L713 I716V337-Y372 HydrophobicContact CG1-CD2 4.08Å; V337-Y372 HydrophobicContact CG1-CE2 4.31Å; F356-Y372 HydrophobicContact CE1-CD2 4.28Å; F356-Y372 HydrophobicContact CE1-CG 4.27Å; F356-Y372 HydrophobicContact CZ-CD2 4.47Å; F356-Y372 HydrophobicContact CZ-CG 4.04Å; N368-Y372 HydrophobicContact CB-CD2 4.43Å; N368-Y372 HydrophobicContact CB-CE2 4.15Å; N368-Y372 WeakPolarHBondContact O-CD2 3.22Å; N368-Y372 PolarHBondContact O-N 3.37Å; A369-Y372 PolarHBondContact O-N 3.3Å; Y372-Q375 PolarHBondContact O-N 3.26Å; Y372-T376 WeakPolarHBondContact O-CB 3.48Å; Y372-T376 PolarHBondContact O-N 3.44Å; Y372-T376 PolarHBondContact O-OG1 3.32Å; Y372-S712 WeakPolarHBondContact CE1-OG 3.27Å; Y372-S712 WeakPolarHBondContact OH-CB 3.38Å; Y372-S712 PolarHBondContact OH-O 2.66Å; Y372-S712 PolarHBondContact OH-OG 3.04Å; Y372-L713 PolarHBondContact OH-N 3.27Å; Y372-I716 HydrophobicContact CE2-CD1 3.86Å; Y372-I716 HydrophobicContact CE2-CG1 4.48Å
373L94.4Very high92.2Very high3 Ų347.5 Ų47.52%0.01623%0.226CC..Hα-helixtrans-65.2-42.5171.3-175.956.2000111I353 F356 E357 L360 A369 K370 Q375 T376 L377 L403I353-L373 HydrophobicContact CB-CD1 4.32Å; I353-L373 HydrophobicContact CG1-CD1 4.15Å; I353-L373 HydrophobicContact CG2-CD1 4.07Å; F356-L373 HydrophobicContact CB-CB 3.94Å; F356-L373 HydrophobicContact CB-CD1 4.15Å; F356-L373 HydrophobicContact CB-CG 4.44Å; F356-L373 HydrophobicContact CD2-CB 4.45Å; F356-L373 HydrophobicContact CG-CB 4.46Å; E357-L373 HydrophobicContact CG-CD1 4.27Å; E357-L373 HydrophobicContact CG-CD2 3.93Å; L360-L373 HydrophobicContact CD1-CD2 3.68Å; A369-L373 VanDerWaalsContact O-CB 3.24Å; A369-L373 WeakPolarHBondContact O-CB 3.48Å; A369-L373 PolarHBondContact O-N 2.83Å; K370-L373 PolarHBondContact O-N 3.03Å; L373-Q375 VanDerWaalsContact C-N 3.33Å; L373-Q375 PolarHBondContact O-N 3.12Å; L373-T376 PolarHBondContact O-N 3.11Å; L373-T376 PolarHBondContact O-OG1 2.84Å; L373-L377 HydrophobicContact CD1-CD1 3.98Å; L373-L377 HydrophobicContact CD1-CG 3.94Å; L373-L377 HydrophobicContact CG-CD1 3.85Å; L373-L377 HydrophobicContact CG-CG 4.29Å; L373-L377 VanDerWaalsContact O-CB 3.26Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 WeakPolarHBondContact O-CD1 3.26Å; L373-L377 WeakPolarHBondContact O-CG 3.49Å; L373-L377 PolarHBondContact O-N 3.07Å; L373-L403 HydrophobicContact CB-CD1 4.46Å; L373-L403 HydrophobicContact CD2-CD1 3.6Å; L373-L403 HydrophobicContact CG-CD1 3.75Å
374C92.9Very high92.2Very high3 Ų345.5 Ų45.52%0.0221%0.211CC..Hα-helixtrans-58.8-44.7173.4-67.80000112K370 K371 V378 L403K370-C374 PolarHBondContact O-N 2.91Å; K370-C374 PolarHBondContact O-SG 3.3Å; K371-C374 PolarHBondContact O-N 3.35Å; C374-V378 VanDerWaalsContact O-CG2 3.32Å; C374-V378 WeakPolarHBondContact O-CG2 3.13Å; C374-V378 PolarHBondContact O-N 3.47Å; C374-V378 VanDerWaalsContact O-N 3.12Å; C374-L403 WeakPolarHBondContact SG-CB 3.44Å
375Q91.4Very high92.2Very high90 Ų9044 Ų4442%0.42120%0.197SC..Hα-helixtrans-66.8-45.9180-71.8177.7-36.500112.2K371 Y372 L373 V378 E379K371-Q375 WeakPolarHBondContact O-CG 3.47Å; K371-Q375 PolarHBondContact O-N 2.88Å; K371-Q375 VanDerWaalsContact O-N 3.09Å; Y372-Q375 PolarHBondContact O-N 3.26Å; L373-Q375 VanDerWaalsContact C-N 3.33Å; L373-Q375 PolarHBondContact O-N 3.12Å; Q375-V378 PolarHBondContact O-N 3.14Å; Q375-E379 PolarHBondContact O-N 3.09Å
376T93.3Very high92.1Very high5 Ų545.2 Ų45.23%0.03120%0.198CC..Hα-helixtrans-71.1-32.7178.949.60000113.4A344 M349 A352 F356 Y372 L373 V378 R380A344-T376 HydrophobicContact CB-CG2 3.48Å; A344-T376 VanDerWaalsContact CB-CG2 3.48Å; M349-T376 HydrophobicContact SD-CG2 3.99Å; A352-T376 HydrophobicContact CB-CG2 4.16Å; F356-T376 HydrophobicContact CE2-CG2 3.86Å; Y372-T376 WeakPolarHBondContact O-CB 3.48Å; Y372-T376 PolarHBondContact O-N 3.44Å; Y372-T376 PolarHBondContact O-OG1 3.32Å; L373-T376 PolarHBondContact O-N 3.11Å; L373-T376 PolarHBondContact O-OG1 2.84Å; T376-V378 VanDerWaalsContact C-N 3.32Å; T376-R380 WeakPolarHBondContact O-CB 3.27Å; T376-R380 PolarHBondContact O-N 3.41Å
377L94.4Very high92.1Very high0 Ų048.1 Ų48.10%021%0.212CC..Hα-helixtrans-63.2-37.9169.4-73.7169.5000111.8I353 L373 G381 L396 R399 A400 L403I353-L377 HydrophobicContact CD1-CD2 4.04Å; I353-L377 HydrophobicContact CG1-CD2 4.4Å; L373-L377 HydrophobicContact CD1-CD1 3.98Å; L373-L377 HydrophobicContact CD1-CG 3.94Å; L373-L377 HydrophobicContact CG-CD1 3.85Å; L373-L377 HydrophobicContact CG-CG 4.29Å; L373-L377 VanDerWaalsContact O-CB 3.26Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 WeakPolarHBondContact O-CD1 3.26Å; L373-L377 WeakPolarHBondContact O-CG 3.49Å; L373-L377 PolarHBondContact O-N 3.07Å; L377-G381 PolarHBondContact O-N 3.15Å; L377-L396 HydrophobicContact CD2-CB 4.38Å; L377-L396 HydrophobicContact CD2-CD2 3.85Å; L377-R399 HydrophobicContact CD1-CB 4.21Å; L377-R399 HydrophobicContact CD1-CG 3.98Å; L377-A400 HydrophobicContact CB-CB 4.02Å; L377-A400 HydrophobicContact CD1-CB 4.45Å; L377-L403 HydrophobicContact CD1-CD1 3.63Å
378V93.1Very high92Very high3 Ų347.5 Ų47.52%0.01822%0.217CC..Hα-helixtrans-70.5-48175.5167.90000111.6C374 Q375 T376 R380 G381 K382 Y397 A400 E409 A410C374-V378 VanDerWaalsContact O-CG2 3.32Å; C374-V378 WeakPolarHBondContact O-CG2 3.13Å; C374-V378 PolarHBondContact O-N 3.47Å; C374-V378 VanDerWaalsContact O-N 3.12Å; Q375-V378 PolarHBondContact O-N 3.14Å; T376-V378 VanDerWaalsContact C-N 3.32Å; V378-R380 VanDerWaalsContact C-N 3.31Å; V378-R380 PolarHBondContact O-N 3.22Å; V378-G381 PolarHBondContact O-N 3.22Å; V378-G381 VanDerWaalsContact O-N 3.16Å; V378-K382 HydrophobicContact CG1-CD 4.46Å; V378-K382 WeakPolarHBondContact O-CG 3.43Å; V378-K382 PolarHBondContact O-N 3.39Å; V378-Y397 HydrophobicContact CB-CE1 4.41Å; V378-Y397 HydrophobicContact CG1-CE1 4.26Å; V378-Y397 HydrophobicContact CG2-CD1 4.28Å; V378-Y397 HydrophobicContact CG2-CE1 4.45Å; V378-A400 HydrophobicContact CG2-CB 3.94Å; V378-E409 HydrophobicContact CG1-CB 4.3Å; V378-A410 HydrophobicContact CG2-CB 3.7Å
379E92.1Very high92.1Very high61 Ų6152.3 Ų52.329%0.28524%0.238SC..Hα-helixtrans-64.1-35.6176.5-71.8-165.1131.700112M349 Q375 K382 Q383 K707M349-E379 HydrophobicContact CE-CB 3.97Å; M349-E379 WeakPolarHBondContact CE-OE2 3.23Å; Q375-E379 PolarHBondContact O-N 3.09Å; E379-K382 PolarHBondContact O-N 2.97Å; E379-Q383 WeakPolarHBondContact O-CG 3.3Å; E379-Q383 PolarHBondContact O-N 3.24Å; E379-Q383 VanDerWaalsContact O-N 3.08Å; E379-K707 IonicContact OE1-NZ 3.17Å; E379-K707 PolarHBondContact OE1-NZ 2.92Å
380R93.4Very high92Very high58 Ų5854.2 Ų54.222%0.21925%0.248CC..Hα-helixtrans-71.5-29.8173.1-173.252.5174.2178.42113M349 I353 T376 V378 L384 L396M349-R380 HydrophobicContact CB-CB 4.05Å; M349-R380 HydrophobicContact CB-CG 4.31Å; M349-R380 HydrophobicContact CG-CB 4.48Å; I353-R380 HydrophobicContact CD1-CB 3.99Å; I353-R380 HydrophobicContact CD1-CG 4.13Å; T376-R380 WeakPolarHBondContact O-CB 3.27Å; T376-R380 PolarHBondContact O-N 3.41Å; V378-R380 VanDerWaalsContact C-N 3.31Å; V378-R380 PolarHBondContact O-N 3.22Å; R380-L384 HydrophobicContact CG-CD1 4.38Å; R380-L384 WeakPolarHBondContact O-CG 3.31Å; R380-L384 PolarHBondContact O-N 2.86Å; R380-L396 HydrophobicContact CB-CD1 3.95Å; R380-L396 HydrophobicContact CG-CD1 3.6Å
381G93.4Very high91.8Very high0 Ų056.6 Ų56.60%027%0.267CS..Hα-helixtrans-58.9-51.4168.200000111.1L377 V378 Q383 L384 E385 A393 Y397L377-G381 PolarHBondContact O-N 3.15Å; V378-G381 PolarHBondContact O-N 3.22Å; V378-G381 VanDerWaalsContact O-N 3.16Å; G381-Q383 PolarHBondContact O-N 2.89Å; G381-L384 CarbonylContact O-C 3.57Å; G381-L384 WeakPolarHBondContact O-CA 3.33Å; G381-L384 PolarHBondContact O-N 3.32Å; G381-E385 PolarHBondContact O-N 3.45Å; G381-A393 WeakPolarHBondContact O-CB 3.29Å; G381-Y397 VanDerWaalsContact C-OH 3.25Å
382K91.6Very high91.8Very high74 Ų7456.2 Ų56.232%0.32227%0.272SS..Hα-helixtrans-58.1-47.1178.8-64.4169.6-173.6170.50111.5V378 E379 L384 E385 E386 Y397 E409V378-K382 HydrophobicContact CG1-CD 4.46Å; V378-K382 WeakPolarHBondContact O-CG 3.43Å; V378-K382 PolarHBondContact O-N 3.39Å; E379-K382 PolarHBondContact O-N 2.97Å; K382-L384 PolarHBondContact O-N 3.22Å; K382-E385 PolarHBondContact O-N 2.73Å; K382-E385 VanDerWaalsContact O-N 3.15Å; K382-E386 WeakPolarHBondContact O-CG 3.42Å; K382-E386 PolarHBondContact O-N 2.91Å; K382-Y397 WeakPolarHBondContact CA-OH 3.44Å; K382-Y397 VanDerWaalsContact CG-OH 3.27Å; K382-Y397 WeakPolarHBondContact CG-OH 3.31Å; K382-Y397 PolarHBondContact N-OH 3.38Å; K382-E409 IonicContact NZ-OE2 2.69Å; K382-E409 PolarHBondContact NZ-OE2 2.86Å
383Q91.9Very high91.8Very high46 Ų4655.5 Ų55.522%0.21527%0.269CS..Hα-helixtrans-58.3-27.1173.3-72.7-179.9-7.700114.5E379 G381 Q387E379-Q383 WeakPolarHBondContact O-CG 3.3Å; E379-Q383 PolarHBondContact O-N 3.24Å; E379-Q383 VanDerWaalsContact O-N 3.08Å; G381-Q383 PolarHBondContact O-N 2.89Å; Q383-Q387 VanDerWaalsContact O-CG 3.27Å; Q383-Q387 WeakPolarHBondContact O-CG 3.15Å; Q383-Q387 PolarHBondContact O-N 2.94Å
384L92.5Very high91.7Very high17 Ų1756.3 Ų56.39%0.08927%0.273CS..Hα-helixtrans-90.5-24.2178.6-73.5173000112.5R380 G381 K382 Q387 E388 K389 A393 L396R380-L384 HydrophobicContact CG-CD1 4.38Å; R380-L384 WeakPolarHBondContact O-CG 3.31Å; R380-L384 PolarHBondContact O-N 2.86Å; G381-L384 CarbonylContact O-C 3.57Å; G381-L384 WeakPolarHBondContact O-CA 3.33Å; G381-L384 PolarHBondContact O-N 3.32Å; K382-L384 PolarHBondContact O-N 3.22Å; L384-Q387 CarbonylContact O-C 3.56Å; L384-Q387 PolarHBondContact O-N 3.11Å; L384-E388 PolarHBondContact O-N 3.03Å; L384-K389 HydrophobicContact CB-CB 4.45Å; L384-K389 HydrophobicContact CD2-CB 4.28Å; L384-K389 HydrophobicContact CD2-CD 3.86Å; L384-K389 PolarHBondContact O-N 2.75Å; L384-A393 HydrophobicContact CB-CB 3.89Å; L384-L396 HydrophobicContact CD1-CD1 3.69Å
385E90.2Very high91.7Very high51 Ų5157.8 Ų57.824%0.23829%0.289CS..Hα-helixtrans-67.3-43.3165.6-70.1178.4119.100111.3G381 K382 Q387 E388 L390 A393 Y397 I417G381-E385 PolarHBondContact O-N 3.45Å; K382-E385 PolarHBondContact O-N 2.73Å; K382-E385 VanDerWaalsContact O-N 3.15Å; E385-Q387 PolarHBondContact O-N 3Å; E385-E388 WeakPolarHBondContact O-CA 3.2Å; E385-E388 PolarHBondContact O-N 2.76Å; E385-L390 HydrophobicContact CG-CD2 4.4Å; E385-A393 HydrophobicContact CG-CB 3.85Å; E385-Y397 HydrophobicContact CG-CE2 4.37Å; E385-Y397 WeakPolarHBondContact OE2-CE2 3.49Å; E385-Y397 PolarHBondContact OE2-OH 3.48Å; E385-I417 HydrophobicContact CG-CD1 3.58Å; E385-I417 HydrophobicContact CG-CG1 4.17Å; E385-I417 WeakPolarHBondContact OE1-CB 3.26Å; E385-I417 WeakPolarHBondContact OE1-CD1 3.47Å; E385-I417 VanDerWaalsContact OE1-CG1 3.32Å; E385-I417 WeakPolarHBondContact OE1-CG1 3.47Å
386E89.9Confident91.8Very high158 Ų15855.1 Ų55.174%0.73828%0.277SS*.THydrogen-bonded Turntrans-58.8-25.8171.8-70.4166.6-179.800112.8K382K382-E386 WeakPolarHBondContact O-CG 3.42Å; K382-E386 PolarHBondContact O-N 2.91Å
387Q91.8Very high91.9Very high90 Ų9054.9 Ų54.942%0.42128%0.276SS..THydrogen-bonded Turntrans-95.112.8174.8-67.1177.622.800113.6Q383 L384 E385 K389Q383-Q387 VanDerWaalsContact O-CG 3.27Å; Q383-Q387 WeakPolarHBondContact O-CG 3.15Å; Q383-Q387 PolarHBondContact O-N 2.94Å; L384-Q387 CarbonylContact O-C 3.56Å; L384-Q387 PolarHBondContact O-N 3.11Å; E385-Q387 PolarHBondContact O-N 3Å; Q387-K389 HydrophobicContact CB-CD 3.95Å; Q387-K389 HydrophobicContact CB-CG 4.35Å; Q387-K389 WeakPolarHBondContact O-CG 3.06Å; Q387-K389 PolarHBondContact O-N 3.27Å
388E86.9Confident91.8Very high172 Ų17260.9 Ų60.980%0.80430%0.298SS*.THydrogen-bonded Turntrans57.111.8-175.9-54.7-166.3144.500115.6L384 E385 L390L384-E388 PolarHBondContact O-N 3.03Å; E385-E388 WeakPolarHBondContact O-CA 3.2Å; E385-E388 PolarHBondContact O-N 2.76Å; E388-L390 PolarHBondContact O-N 3.38Å
389K91.9Very high91.8Very high107 Ų10765.4 Ų65.447%0.46532%0.315SS..  trans-8448.3-176-69.9162.3-169.4169.60111.9L384 Q387 V391 T392 A393L384-K389 HydrophobicContact CB-CB 4.45Å; L384-K389 HydrophobicContact CD2-CB 4.28Å; L384-K389 HydrophobicContact CD2-CD 3.86Å; L384-K389 PolarHBondContact O-N 2.75Å; Q387-K389 HydrophobicContact CB-CD 3.95Å; Q387-K389 HydrophobicContact CB-CG 4.35Å; Q387-K389 WeakPolarHBondContact O-CG 3.06Å; Q387-K389 PolarHBondContact O-N 3.27Å; K389-V391 VanDerWaalsContact C-N 3.32Å; K389-V391 PolarHBondContact O-N 3.38Å; K389-V391 VanDerWaalsContact O-N 3.11Å; K389-T392 WeakPolarHBondContact CB-OG1 3.45Å; K389-T392 PolarHBondContact O-N 3Å; K389-T392 PolarHBondContact O-OG1 3.11Å; K389-A393 PolarHBondContact O-N 3.5Å
390L89.3Confident91.8Very high40 Ų4062.5 Ų62.521%0.20930%0.301CS..Hα-helixtrans-50.3-44.6-165-56.1-179.6000113.9E385 E388 T392 A393 E394 I417 I421E385-L390 HydrophobicContact CG-CD2 4.4Å; E388-L390 PolarHBondContact O-N 3.38Å; L390-T392 VanDerWaalsContact C-N 3.27Å; L390-T392 PolarHBondContact O-N 3.46Å; L390-A393 PolarHBondContact O-N 3.1Å; L390-E394 WeakPolarHBondContact O-CB 3.44Å; L390-E394 PolarHBondContact O-N 3.42Å; L390-I417 HydrophobicContact CB-CD1 4.19Å; L390-I417 HydrophobicContact CB-CG1 4.19Å; L390-I417 HydrophobicContact CD2-CD1 4.28Å; L390-I417 HydrophobicContact CD2-CG1 4.05Å; L390-I417 WeakPolarHBondContact O-CD1 3.14Å; L390-I421 HydrophobicContact CB-CD1 4.04Å; L390-I421 HydrophobicContact CB-CG1 3.78Å; L390-I421 HydrophobicContact CD1-CG1 3.94Å
391V89.5Confident91.8Very high111 Ų11160.9 Ų60.967%0.67330%0.297SS*.Hα-helixtrans-62.5-33.1-178.5-176.60000112.4K389 G395K389-V391 VanDerWaalsContact C-N 3.32Å; K389-V391 PolarHBondContact O-N 3.38Å; K389-V391 VanDerWaalsContact O-N 3.11Å; V391-G395 PolarHBondContact O-N 3.01Å
392T91.8Very high91.6Very high77 Ų7765.1 Ų65.147%0.47233%0.327SS..Hα-helixtrans-78-40.3177.859.80000112.2K389 L390 E394 G395 L396K389-T392 WeakPolarHBondContact CB-OG1 3.45Å; K389-T392 PolarHBondContact O-N 3Å; K389-T392 PolarHBondContact O-OG1 3.11Å; L390-T392 VanDerWaalsContact C-N 3.27Å; L390-T392 PolarHBondContact O-N 3.46Å; T392-E394 VanDerWaalsContact C-N 3.34Å; T392-E394 PolarHBondContact O-N 3.33Å; T392-G395 WeakPolarHBondContact O-CA 3.38Å; T392-G395 PolarHBondContact O-N 3.44Å; T392-G395 VanDerWaalsContact O-N 3.13Å; T392-L396 PolarHBondContact O-N 2.9Å; T392-L396 VanDerWaalsContact O-N 3.11Å
393A92.1Very high91.4Very high0 Ų064.3 Ų64.30%033%0.326CS..Hα-helixtrans-60.9-41.9172.800000111.8G381 L384 E385 K389 L390 G395 L396 Y397 I417G381-A393 WeakPolarHBondContact O-CB 3.29Å; L384-A393 HydrophobicContact CB-CB 3.89Å; E385-A393 HydrophobicContact CG-CB 3.85Å; K389-A393 PolarHBondContact O-N 3.5Å; L390-A393 PolarHBondContact O-N 3.1Å; A393-G395 PolarHBondContact O-N 2.95Å; A393-L396 PolarHBondContact O-N 3.03Å; A393-Y397 HydrophobicContact CB-CE2 4.35Å; A393-Y397 WeakPolarHBondContact O-CD2 3.48Å; A393-Y397 PolarHBondContact O-N 3.48Å; A393-I417 HydrophobicContact CB-CD1 3.5Å
394E92.9Very high91.1Very high19 Ų1965.4 Ų65.49%0.08933%0.333CS..Hα-helixtrans-59.6-36.6174.1-161.1-155.5-171.500111.9L390 T392 R398 L414 I417 N418 I421L390-E394 WeakPolarHBondContact O-CB 3.44Å; L390-E394 PolarHBondContact O-N 3.42Å; T392-E394 VanDerWaalsContact C-N 3.34Å; T392-E394 PolarHBondContact O-N 3.33Å; E394-R398 WeakPolarHBondContact O-CG 3.18Å; E394-R398 PolarHBondContact O-N 2.93Å; E394-R398 VanDerWaalsContact O-N 3.08Å; E394-R398 IonicContact OE1-CZ 2.76Å; E394-R398 VanDerWaalsContact OE1-CZ 3.27Å; E394-R398 IonicContact OE1-NE 2.84Å; E394-R398 IonicContact OE1-NH1 2.75Å; E394-R398 IonicContact OE1-NH2 3.12Å; E394-R398 PolarHBondContact OE1-NH2 2.87Å; E394-R398 IonicContact OE2-CZ 2.71Å; E394-R398 IonicContact OE2-NH1 3.76Å; E394-R398 PolarHBondContact OE2-NH1 2.9Å; E394-R398 IonicContact OE2-NH2 2.66Å; E394-R398 PolarHBondContact OE2-NH2 3.47Å; E394-L414 HydrophobicContact CG-CD1 3.44Å; E394-L414 VanDerWaalsContact CG-CD1 3.44Å; E394-I417 HydrophobicContact CB-CD1 4.31Å; E394-I417 HydrophobicContact CB-CG2 4.04Å; E394-I417 HydrophobicContact CG-CG2 3.84Å; E394-N418 PolarHBondContact OE1-ND2 2.88Å; E394-N418 PolarHBondContact OE1-OD1 3.17Å; E394-I421 HydrophobicContact CB-CD1 4.34Å
395G93.1Very high90.9Very high34 Ų3470.5 Ų70.535%0.35136%0.36SS..Hα-helixtrans-60.8-45.1171.600000113V391 T392 A393 R399V391-G395 PolarHBondContact O-N 3.01Å; T392-G395 WeakPolarHBondContact O-CA 3.38Å; T392-G395 PolarHBondContact O-N 3.44Å; T392-G395 VanDerWaalsContact O-N 3.13Å; A393-G395 PolarHBondContact O-N 2.95Å; G395-R399 PolarHBondContact O-N 3.15Å; G395-R399 VanDerWaalsContact O-N 3.1Å
396L93.2Very high90.8Very high35 Ų3571.8 Ų71.818%0.18338%0.375CS..Hα-helixtrans-67.6-40.9178.1-58.9-173.9000112.4L377 R380 L384 T392 A393 R399 A400L377-L396 HydrophobicContact CD2-CB 4.38Å; L377-L396 HydrophobicContact CD2-CD2 3.85Å; R380-L396 HydrophobicContact CB-CD1 3.95Å; R380-L396 HydrophobicContact CG-CD1 3.6Å; L384-L396 HydrophobicContact CD1-CD1 3.69Å; T392-L396 PolarHBondContact O-N 2.9Å; T392-L396 VanDerWaalsContact O-N 3.11Å; A393-L396 PolarHBondContact O-N 3.03Å; L396-R399 WeakPolarHBondContact O-CB 3.19Å; L396-R399 PolarHBondContact O-N 2.71Å; L396-R399 VanDerWaalsContact O-N 3.11Å; L396-A400 PolarHBondContact O-N 2.98Å
397Y93.9Very high90.7Very high0 Ų065.2 Ų65.20%035%0.345CS..Hα-helixtrans-65.2-41.3177.3-65.8-44000112.6V378 G381 K382 E385 A393 R399 A400 L401 A413 I417V378-Y397 HydrophobicContact CB-CE1 4.41Å; V378-Y397 HydrophobicContact CG1-CE1 4.26Å; V378-Y397 HydrophobicContact CG2-CD1 4.28Å; V378-Y397 HydrophobicContact CG2-CE1 4.45Å; G381-Y397 VanDerWaalsContact C-OH 3.25Å; K382-Y397 WeakPolarHBondContact CA-OH 3.44Å; K382-Y397 VanDerWaalsContact CG-OH 3.27Å; K382-Y397 WeakPolarHBondContact CG-OH 3.31Å; K382-Y397 PolarHBondContact N-OH 3.38Å; E385-Y397 HydrophobicContact CG-CE2 4.37Å; E385-Y397 WeakPolarHBondContact OE2-CE2 3.49Å; E385-Y397 PolarHBondContact OE2-OH 3.48Å; A393-Y397 HydrophobicContact CB-CE2 4.35Å; A393-Y397 WeakPolarHBondContact O-CD2 3.48Å; A393-Y397 PolarHBondContact O-N 3.48Å; Y397-R399 VanDerWaalsContact C-N 3.26Å; Y397-R399 PolarHBondContact O-N 3.31Å; Y397-A400 PolarHBondContact O-N 2.99Å; Y397-L401 WeakPolarHBondContact O-CG 3.43Å; Y397-L401 PolarHBondContact O-N 2.86Å; Y397-L401 VanDerWaalsContact O-N 3.09Å; Y397-A413 HydrophobicContact CD1-CB 4.08Å; Y397-A413 HydrophobicContact CD2-CB 4.09Å; Y397-A413 HydrophobicContact CE1-CB 3.65Å; Y397-A413 HydrophobicContact CE2-CB 3.66Å; Y397-A413 HydrophobicContact CG-CB 4.29Å; Y397-A413 VanDerWaalsContact CZ-CB 3.42Å; Y397-I417 HydrophobicContact CD2-CD1 4.45Å; Y397-I417 HydrophobicContact CD2-CG2 4.32Å; Y397-I417 HydrophobicContact CE2-CD1 4.23Å
398R93.7Very high90.5Very high126 Ų12664.9 Ų64.948%0.47535%0.35SS..Hα-helixtrans-59-38.9170.1-71.8-174.1-166.6103.6-12.8111.9E394 L401 S402 L414E394-R398 WeakPolarHBondContact O-CG 3.18Å; E394-R398 PolarHBondContact O-N 2.93Å; E394-R398 VanDerWaalsContact O-N 3.08Å; E394-R398 IonicContact OE1-CZ 2.76Å; E394-R398 VanDerWaalsContact OE1-CZ 3.27Å; E394-R398 IonicContact OE1-NE 2.84Å; E394-R398 IonicContact OE1-NH1 2.75Å; E394-R398 IonicContact OE1-NH2 3.12Å; E394-R398 PolarHBondContact OE1-NH2 2.87Å; E394-R398 IonicContact OE2-CZ 2.71Å; E394-R398 IonicContact OE2-NH1 3.76Å; E394-R398 PolarHBondContact OE2-NH1 2.9Å; E394-R398 IonicContact OE2-NH2 2.66Å; E394-R398 PolarHBondContact OE2-NH2 3.47Å; R398-L401 PolarHBondContact O-N 3.1Å; R398-S402 PolarHBondContact O-N 3.47Å; R398-L414 HydrophobicContact CG-CD1 4.13Å; R398-L414 HydrophobicContact CG-CD2 4.09Å
399R93.6Very high90.6Very high97 Ų9761.9 Ų61.937%0.36634%0.337SS..Hα-helixtrans-67.6-42.1177.9-165.9-179.7-170.3-170.61.8112.2E357 L377 G395 L396 Y397 L401 S402 L403E357-R399 IonicContact OE1-CZ 2.68Å; E357-R399 VanDerWaalsContact OE1-CZ 3.28Å; E357-R399 IonicContact OE1-NH1 2.67Å; E357-R399 PolarHBondContact OE1-NH1 2.88Å; E357-R399 IonicContact OE1-NH2 2.69Å; E357-R399 PolarHBondContact OE1-NH2 2.77Å; E357-R399 IonicContact OE2-CZ 3.12Å; E357-R399 IonicContact OE2-NH1 3.92Å; E357-R399 PolarHBondContact OE2-NH1 3.19Å; E357-R399 IonicContact OE2-NH2 3.68Å; E357-R399 PolarHBondContact OE2-NH2 2.94Å; L377-R399 HydrophobicContact CD1-CB 4.21Å; L377-R399 HydrophobicContact CD1-CG 3.98Å; G395-R399 PolarHBondContact O-N 3.15Å; G395-R399 VanDerWaalsContact O-N 3.1Å; L396-R399 WeakPolarHBondContact O-CB 3.19Å; L396-R399 PolarHBondContact O-N 2.71Å; L396-R399 VanDerWaalsContact O-N 3.11Å; Y397-R399 VanDerWaalsContact C-N 3.26Å; Y397-R399 PolarHBondContact O-N 3.31Å; R399-L401 VanDerWaalsContact C-N 3.32Å; R399-L401 PolarHBondContact O-N 2.93Å; R399-S402 WeakPolarHBondContact CA-OG 3.34Å; R399-S402 PolarHBondContact O-N 2.89Å; R399-S402 VanDerWaalsContact O-N 3.14Å; R399-S402 PolarHBondContact O-OG 3.08Å; R399-L403 PolarHBondContact O-N 2.88Å
400A92.1Very high90.5Very high0 Ų056.8 Ų56.80%031%0.314CS..Hα-helixtrans-58.8-43.417500000111.5L377 V378 L396 Y397 S402 L403 D404 A410L377-A400 HydrophobicContact CB-CB 4.02Å; L377-A400 HydrophobicContact CD1-CB 4.45Å; V378-A400 HydrophobicContact CG2-CB 3.94Å; L396-A400 PolarHBondContact O-N 2.98Å; Y397-A400 PolarHBondContact O-N 2.99Å; A400-S402 PolarHBondContact O-N 2.82Å; A400-L403 PolarHBondContact O-N 3.41Å; A400-D404 PolarHBondContact O-N 3.28Å; A400-A410 HydrophobicContact CB-CB 4.1Å
401L91.6Very high90.6Very high25 Ų2560 Ų6013%0.13132%0.324CS..Hα-helixtrans-65.3-35.5174.3-65.9176.1000113.1Y397 R398 R399 L403 D404 D405 A410 R411 L414Y397-L401 WeakPolarHBondContact O-CG 3.43Å; Y397-L401 PolarHBondContact O-N 2.86Å; Y397-L401 VanDerWaalsContact O-N 3.09Å; R398-L401 PolarHBondContact O-N 3.1Å; R399-L401 VanDerWaalsContact C-N 3.32Å; R399-L401 PolarHBondContact O-N 2.93Å; L401-L403 PolarHBondContact O-N 3.24Å; L401-L403 VanDerWaalsContact O-N 3.15Å; L401-D404 CarbonylContact O-C 3.52Å; L401-D404 VanDerWaalsContact O-C 3.24Å; L401-D405 VanDerWaalsContact O-CA 3.23Å; L401-D405 WeakPolarHBondContact O-CA 3.33Å; L401-D405 PolarHBondContact O-N 3.43Å; L401-A410 HydrophobicContact CD2-CB 3.58Å; L401-A410 HydrophobicContact CG-CB 3.93Å; L401-R411 HydrophobicContact CD1-CG 4.26Å; L401-R411 HydrophobicContact CD2-CB 4.47Å; L401-R411 HydrophobicContact CD2-CG 3.51Å; L401-L414 HydrophobicContact CD1-CD2 3.56Å
402S91.1Very high90.7Very high89 Ų8958.1 Ų58.162%0.62231%0.31SS*.THydrogen-bonded Turntrans-69.2-6.6175.168.20000114.8R398 R399 A400R398-S402 PolarHBondContact O-N 3.47Å; R399-S402 WeakPolarHBondContact CA-OG 3.34Å; R399-S402 PolarHBondContact O-N 2.89Å; R399-S402 VanDerWaalsContact O-N 3.14Å; R399-S402 PolarHBondContact O-OG 3.08Å; A400-S402 PolarHBondContact O-N 2.82Å
403L86.6Confident90.7Very high57 Ų5755 Ų5530%0.29829%0.292SS..THydrogen-bonded Turntrans-108.6-40.9177.7-69.4165.7000111.9L373 C374 L377 R399 A400 L401L373-L403 HydrophobicContact CB-CD1 4.46Å; L373-L403 HydrophobicContact CD2-CD1 3.6Å; L373-L403 HydrophobicContact CG-CD1 3.75Å; C374-L403 WeakPolarHBondContact SG-CB 3.44Å; L377-L403 HydrophobicContact CD1-CD1 3.63Å; R399-L403 PolarHBondContact O-N 2.88Å; A400-L403 PolarHBondContact O-N 3.41Å; L401-L403 PolarHBondContact O-N 3.24Å; L401-L403 VanDerWaalsContact O-N 3.15Å
404D86.5Confident90.7Very high68 Ų6856.4 Ų56.436%0.36430%0.299SS..  trans-133.394.8166.5177.911.5000109.6A400 L401 S406 N407A400-D404 PolarHBondContact O-N 3.28Å; L401-D404 CarbonylContact O-C 3.52Å; L401-D404 VanDerWaalsContact O-C 3.24Å; D404-S406 PolarHBondContact O-N 3.4Å; D404-S406 VanDerWaalsContact O-N 3.07Å; D404-S406 WeakPolarHBondContact OD1-CA 3.31Å; D404-S406 WeakPolarHBondContact OD1-CB 3.4Å; D404-S406 PolarHBondContact OD1-N 2.97Å; D404-N407 HydrophobicContact CB-CB 4.34Å; D404-N407 PolarHBondContact O-N 3.08Å
405D87.3Confident90.6Very high124 Ų12463.3 Ų63.366%0.66332%0.324SS*.THydrogen-bonded Turntrans-54.4-27.6176.4-102.1-43.2000112.1L401 R411L401-D405 VanDerWaalsContact O-CA 3.23Å; L401-D405 WeakPolarHBondContact O-CA 3.33Å; L401-D405 PolarHBondContact O-N 3.43Å; D405-R411 PolarHBondContact O-NE 3.19Å; D405-R411 PolarHBondContact O-NH2 3.46Å
406S87.8Confident90.6Very high79 Ų7966.6 Ų66.655%0.55233%0.334SS*.THydrogen-bonded Turntrans-79.7-24-171.9-1550000113.7D404 P408 R411D404-S406 PolarHBondContact O-N 3.4Å; D404-S406 VanDerWaalsContact O-N 3.07Å; D404-S406 WeakPolarHBondContact OD1-CA 3.31Å; D404-S406 WeakPolarHBondContact OD1-CB 3.4Å; D404-S406 PolarHBondContact OD1-N 2.97Å; S406-P408 WeakPolarHBondContact O-CD 3.29Å; S406-P408 VanDerWaalsContact O-N 3.16Å; S406-R411 PolarHBondContact O-NH1 3.29Å
407N88.3Confident90.5Very high19 Ų1965 Ų6510%0.10233%0.325CS..  trans-57.3112.4-169.6-177.6-10.2000112.7D404 E409 A410 R411D404-N407 HydrophobicContact CB-CB 4.34Å; D404-N407 PolarHBondContact O-N 3.08Å; N407-E409 PolarHBondContact OD1-N 2.89Å; N407-E409 VanDerWaalsContact OD1-N 3.13Å; N407-A410 HydrophobicContact CB-CB 4.14Å; N407-A410 PolarHBondContact OD1-N 3.4Å; N407-R411 WeakPolarHBondContact O-CG 3.44Å; N407-R411 PolarHBondContact O-N 3.32Å
408P88Confident90.4Very high83 Ų8367.5 Ų67.554%0.53934%0.339SS..Hα-helixtrans-68.8-39.5-176.727.6-33.7000112.5S406 A410 R411 D412S406-P408 WeakPolarHBondContact O-CD 3.29Å; S406-P408 VanDerWaalsContact O-N 3.16Å; P408-A410 VanDerWaalsContact C-N 3.31Å; P408-A410 PolarHBondContact O-N 2.98Å; P408-R411 PolarHBondContact O-N 2.89Å; P408-R411 VanDerWaalsContact O-N 3.11Å; P408-D412 PolarHBondContact O-N 2.86Å
409E89.4Confident90.3Very high110 Ų11065.3 Ų65.351%0.51434%0.337SS..Hα-helixtrans-60.4-41.7-179.3-70.9-168-129.700111.8V378 K382 N407 R411 D412 A413V378-E409 HydrophobicContact CG1-CB 4.3Å; K382-E409 IonicContact NZ-OE2 2.69Å; K382-E409 PolarHBondContact NZ-OE2 2.86Å; N407-E409 PolarHBondContact OD1-N 2.89Å; N407-E409 VanDerWaalsContact OD1-N 3.13Å; E409-R411 VanDerWaalsContact C-N 3.35Å; E409-R411 PolarHBondContact O-N 3.37Å; E409-D412 PolarHBondContact O-N 2.69Å; E409-A413 VanDerWaalsContact O-CB 3.23Å; E409-A413 WeakPolarHBondContact O-CB 3.49Å; E409-A413 PolarHBondContact O-N 3.01Å
410A89.8Confident90.2Very high0 Ų063.5 Ų63.50%034%0.337CS..Hα-helixtrans-65.9-36.3177.500000112.3V378 A400 L401 N407 P408 L414V378-A410 HydrophobicContact CG2-CB 3.7Å; A400-A410 HydrophobicContact CB-CB 4.1Å; L401-A410 HydrophobicContact CD2-CB 3.58Å; L401-A410 HydrophobicContact CG-CB 3.93Å; N407-A410 HydrophobicContact CB-CB 4.14Å; N407-A410 PolarHBondContact OD1-N 3.4Å; P408-A410 VanDerWaalsContact C-N 3.31Å; P408-A410 PolarHBondContact O-N 2.98Å; A410-L414 WeakPolarHBondContact O-CB 3.31Å; A410-L414 PolarHBondContact O-N 3.09Å; A410-L414 VanDerWaalsContact O-N 3.09Å
411R91.4Very high90.1Very high108 Ų10864.9 Ų64.941%0.40834%0.344SS..Hα-helixtrans-68.7-45.4176.7-67.8179.6-177.7146.1-15.4111.8L401 D405 S406 N407 P408 E409 L414 R415L401-R411 HydrophobicContact CD1-CG 4.26Å; L401-R411 HydrophobicContact CD2-CB 4.47Å; L401-R411 HydrophobicContact CD2-CG 3.51Å; D405-R411 PolarHBondContact O-NE 3.19Å; D405-R411 PolarHBondContact O-NH2 3.46Å; S406-R411 PolarHBondContact O-NH1 3.29Å; N407-R411 WeakPolarHBondContact O-CG 3.44Å; N407-R411 PolarHBondContact O-N 3.32Å; P408-R411 PolarHBondContact O-N 2.89Å; P408-R411 VanDerWaalsContact O-N 3.11Å; E409-R411 VanDerWaalsContact C-N 3.35Å; E409-R411 PolarHBondContact O-N 3.37Å; R411-L414 PolarHBondContact O-N 2.85Å; R411-R415 WeakPolarHBondContact O-CG 3.38Å; R411-R415 PolarHBondContact O-N 3.14Å
412D91.7Very high90.1Very high70 Ų7067.7 Ų67.737%0.37436%0.356SS..Hα-helixtrans-76.9-34.8-175.2-68.8-32.3000112.1P408 E409 R415 N416P408-D412 PolarHBondContact O-N 2.86Å; E409-D412 PolarHBondContact O-N 2.69Å; D412-R415 WeakPolarHBondContact O-CB 3.16Å; D412-R415 PolarHBondContact O-N 3.14Å; D412-R415 WeakPolarHBondContact OD1-CD 3.11Å; D412-R415 IonicContact OD1-CZ 3.11Å; D412-R415 IonicContact OD1-NE 3.71Å; D412-R415 IonicContact OD1-NH1 3.27Å; D412-R415 PolarHBondContact OD1-NH1 3.12Å; D412-N416 WeakPolarHBondContact O-CB 3.43Å; D412-N416 PolarHBondContact O-N 2.98Å; D412-N416 PolarHBondContact O-ND2 2.9Å
413A90.6Very high90Very high11 Ų1168.9 Ų68.99%0.09135%0.35CS..Hα-helixtrans-62.9-43167.600000111.9Y397 E409 R415 N416 I417Y397-A413 HydrophobicContact CD1-CB 4.08Å; Y397-A413 HydrophobicContact CD2-CB 4.09Å; Y397-A413 HydrophobicContact CE1-CB 3.65Å; Y397-A413 HydrophobicContact CE2-CB 3.66Å; Y397-A413 HydrophobicContact CG-CB 4.29Å; Y397-A413 VanDerWaalsContact CZ-CB 3.42Å; E409-A413 VanDerWaalsContact O-CB 3.23Å; E409-A413 WeakPolarHBondContact O-CB 3.49Å; E409-A413 PolarHBondContact O-N 3.01Å; A413-R415 VanDerWaalsContact C-N 3.27Å; A413-R415 PolarHBondContact O-N 3.4Å; A413-N416 PolarHBondContact O-N 3.26Å; A413-I417 WeakPolarHBondContact O-CB 3.26Å; A413-I417 PolarHBondContact O-N 3.33Å
414L91.8Very high90Very high31 Ų3169 Ų6916%0.16236%0.355CS..Hα-helixtrans-63.3-30.4175.8-176.160.4000113.3E394 R398 L401 A410 R411 I417 N418E394-L414 HydrophobicContact CG-CD1 3.44Å; E394-L414 VanDerWaalsContact CG-CD1 3.44Å; R398-L414 HydrophobicContact CG-CD1 4.13Å; R398-L414 HydrophobicContact CG-CD2 4.09Å; L401-L414 HydrophobicContact CD1-CD2 3.56Å; A410-L414 WeakPolarHBondContact O-CB 3.31Å; A410-L414 PolarHBondContact O-N 3.09Å; A410-L414 VanDerWaalsContact O-N 3.09Å; R411-L414 PolarHBondContact O-N 2.85Å; L414-I417 HydrophobicContact CD1-CG2 4.23Å; L414-N418 WeakPolarHBondContact O-CB 3.34Å; L414-N418 PolarHBondContact O-N 2.97Å; L414-N418 PolarHBondContact O-ND2 2.8Å
415R91.9Very high90.2Very high163 Ų16369.6 Ų69.662%0.61536%0.358SS*.Hα-helixtrans-69.4-53.1171.1-74.1163.4169.3170.7-6.6111.1R411 D412 A413 I417 N418 D419R411-R415 WeakPolarHBondContact O-CG 3.38Å; R411-R415 PolarHBondContact O-N 3.14Å; D412-R415 WeakPolarHBondContact O-CB 3.16Å; D412-R415 PolarHBondContact O-N 3.14Å; D412-R415 WeakPolarHBondContact OD1-CD 3.11Å; D412-R415 IonicContact OD1-CZ 3.11Å; D412-R415 IonicContact OD1-NE 3.71Å; D412-R415 IonicContact OD1-NH1 3.27Å; D412-R415 PolarHBondContact OD1-NH1 3.12Å; A413-R415 VanDerWaalsContact C-N 3.27Å; A413-R415 PolarHBondContact O-N 3.4Å; R415-I417 VanDerWaalsContact C-N 3.29Å; R415-I417 PolarHBondContact O-N 3.08Å; R415-N418 PolarHBondContact O-N 3.16Å; R415-N418 VanDerWaalsContact O-N 3.13Å; R415-D419 PolarHBondContact O-N 3.48Å
416N91.7Very high90.4Very high104 Ų10470.6 Ų70.656%0.55635%0.352SS*.Hα-helixtrans-55.9-44.3-179.3-68.2-18.1000111.5D412 A413 D419 T420D412-N416 WeakPolarHBondContact O-CB 3.43Å; D412-N416 PolarHBondContact O-N 2.98Å; D412-N416 PolarHBondContact O-ND2 2.9Å; A413-N416 PolarHBondContact O-N 3.26Å; N416-D419 WeakPolarHBondContact O-CB 3.45Å; N416-D419 PolarHBondContact O-N 2.88Å; N416-T420 PolarHBondContact O-N 3.39Å
417I92.1Very high90.4Very high0 Ų072.3 Ų72.30%036%0.355CS..Hα-helixtrans-70.7-33.9179.7-148.9176.3000112.9E385 L390 A393 E394 Y397 A413 L414 R415 D419 T420 I421E385-I417 HydrophobicContact CG-CD1 3.58Å; E385-I417 HydrophobicContact CG-CG1 4.17Å; E385-I417 WeakPolarHBondContact OE1-CB 3.26Å; E385-I417 WeakPolarHBondContact OE1-CD1 3.47Å; E385-I417 VanDerWaalsContact OE1-CG1 3.32Å; E385-I417 WeakPolarHBondContact OE1-CG1 3.47Å; L390-I417 HydrophobicContact CB-CD1 4.19Å; L390-I417 HydrophobicContact CB-CG1 4.19Å; L390-I417 HydrophobicContact CD2-CD1 4.28Å; L390-I417 HydrophobicContact CD2-CG1 4.05Å; L390-I417 WeakPolarHBondContact O-CD1 3.14Å; A393-I417 HydrophobicContact CB-CD1 3.5Å; E394-I417 HydrophobicContact CB-CD1 4.31Å; E394-I417 HydrophobicContact CB-CG2 4.04Å; E394-I417 HydrophobicContact CG-CG2 3.84Å; Y397-I417 HydrophobicContact CD2-CD1 4.45Å; Y397-I417 HydrophobicContact CD2-CG2 4.32Å; Y397-I417 HydrophobicContact CE2-CD1 4.23Å; A413-I417 WeakPolarHBondContact O-CB 3.26Å; A413-I417 PolarHBondContact O-N 3.33Å; L414-I417 HydrophobicContact CD1-CG2 4.23Å; R415-I417 VanDerWaalsContact C-N 3.29Å; R415-I417 PolarHBondContact O-N 3.08Å; I417-D419 VanDerWaalsContact C-N 3.28Å; I417-D419 PolarHBondContact O-N 3.1Å; I417-T420 WeakPolarHBondContact CA-OG1 3.23Å; I417-T420 PolarHBondContact O-N 3.4Å; I417-T420 PolarHBondContact O-OG1 2.72Å; I417-T420 VanDerWaalsContact O-OG1 3.04Å; I417-I421 HydrophobicContact CG1-CD1 4.22Å; I417-I421 VanDerWaalsContact O-CB 3.28Å; I417-I421 WeakPolarHBondContact O-CB 3.32Å; I417-I421 WeakPolarHBondContact O-CD1 3.31Å; I417-I421 WeakPolarHBondContact O-CG1 3.3Å; I417-I421 PolarHBondContact O-N 3.16Å
418N92.4Very high90.3Very high53 Ų5380.4 Ų80.428%0.28338%0.384SS..Hα-helixtrans-65.4-36.5173.2-97.4-90.8000111.3E394 L414 R415 Q422E394-N418 PolarHBondContact OE1-ND2 2.88Å; E394-N418 PolarHBondContact OE1-OD1 3.17Å; L414-N418 WeakPolarHBondContact O-CB 3.34Å; L414-N418 PolarHBondContact O-N 2.97Å; L414-N418 PolarHBondContact O-ND2 2.8Å; R415-N418 PolarHBondContact O-N 3.16Å; R415-N418 VanDerWaalsContact O-N 3.13Å; N418-Q422 WeakPolarHBondContact O-CB 3.36Å; N418-Q422 VanDerWaalsContact O-CG 3.31Å; N418-Q422 WeakPolarHBondContact O-CG 3.49Å; N418-Q422 PolarHBondContact O-N 2.68Å
419D91.6Very high90.4Very high80 Ų8082.3 Ų82.343%0.42839%0.386SS..Hα-helixtrans-67.7-42175.2-107.234.8000112.8R415 N416 I417 K423R415-D419 PolarHBondContact O-N 3.48Å; N416-D419 WeakPolarHBondContact O-CB 3.45Å; N416-D419 PolarHBondContact O-N 2.88Å; I417-D419 VanDerWaalsContact C-N 3.28Å; I417-D419 PolarHBondContact O-N 3.1Å; D419-K423 WeakPolarHBondContact O-CB 3.44Å; D419-K423 VanDerWaalsContact O-CD 3.23Å; D419-K423 WeakPolarHBondContact O-CD 3.35Å; D419-K423 WeakPolarHBondContact O-CG 3.48Å; D419-K423 PolarHBondContact O-N 3.38Å; D419-K423 IonicContact OD2-NZ 3.69Å; D419-K423 PolarHBondContact OD2-NZ 3.23Å; D419-K423 VanDerWaalsContact OD2-NZ 3.12Å
420T90.4Very high90.5Very high60 Ų6081.6 Ų81.637%0.36838%0.382SS..Hα-helixtrans-69.8-40.7175.757.70000111.8N416 I417 K423 S424N416-T420 PolarHBondContact O-N 3.39Å; I417-T420 WeakPolarHBondContact CA-OG1 3.23Å; I417-T420 PolarHBondContact O-N 3.4Å; I417-T420 PolarHBondContact O-OG1 2.72Å; I417-T420 VanDerWaalsContact O-OG1 3.04Å; T420-K423 PolarHBondContact O-N 3.11Å; T420-S424 PolarHBondContact O-N 2.86Å; T420-S424 PolarHBondContact O-OG 3.28Å
421I89.9Confident90.3Very high28 Ų2884 Ų8414%0.14440%0.402CS..Hα-helixtrans-58.6-49.6172.2-70167.4000110.1L390 E394 I417 K423 S424 I425L390-I421 HydrophobicContact CB-CD1 4.04Å; L390-I421 HydrophobicContact CB-CG1 3.78Å; L390-I421 HydrophobicContact CD1-CG1 3.94Å; E394-I421 HydrophobicContact CB-CD1 4.34Å; I417-I421 HydrophobicContact CG1-CD1 4.22Å; I417-I421 VanDerWaalsContact O-CB 3.28Å; I417-I421 WeakPolarHBondContact O-CB 3.32Å; I417-I421 WeakPolarHBondContact O-CD1 3.31Å; I417-I421 WeakPolarHBondContact O-CG1 3.3Å; I417-I421 PolarHBondContact O-N 3.16Å; I421-K423 PolarHBondContact O-N 3.33Å; I421-S424 PolarHBondContact O-N 2.9Å; I421-S424 PolarHBondContact O-OG 3.07Å; I421-I425 HydrophobicContact CG2-CD1 3.75Å; I421-I425 VanDerWaalsContact O-CG1 3.31Å; I421-I425 WeakPolarHBondContact O-CG1 3.01Å; I421-I425 PolarHBondContact O-N 3.39Å
422Q91.3Very high90Very high85 Ų8583.3 Ų83.340%0.39741%0.406SS..Hα-helixtrans-61.8-40.4176.8-78.5-17555.600113.4N418 I425 R426N418-Q422 WeakPolarHBondContact O-CB 3.36Å; N418-Q422 VanDerWaalsContact O-CG 3.31Å; N418-Q422 WeakPolarHBondContact O-CG 3.49Å; N418-Q422 PolarHBondContact O-N 2.68Å; Q422-I425 PolarHBondContact O-N 3.48Å; Q422-R426 WeakPolarHBondContact O-CG 3.33Å; Q422-R426 PolarHBondContact O-N 3.32Å
423K90.4Very high89.7Confident114 Ų11482.3 Ų82.350%0.49641%0.407SS..Hα-helixtrans-62.6-46.2176.5-72.8158.7-165.8159.90111D419 T420 I421 I425 R426 L427D419-K423 WeakPolarHBondContact O-CB 3.44Å; D419-K423 VanDerWaalsContact O-CD 3.23Å; D419-K423 WeakPolarHBondContact O-CD 3.35Å; D419-K423 WeakPolarHBondContact O-CG 3.48Å; D419-K423 PolarHBondContact O-N 3.38Å; D419-K423 IonicContact OD2-NZ 3.69Å; D419-K423 PolarHBondContact OD2-NZ 3.23Å; D419-K423 VanDerWaalsContact OD2-NZ 3.12Å; T420-K423 PolarHBondContact O-N 3.11Å; I421-K423 PolarHBondContact O-N 3.33Å; K423-I425 PolarHBondContact O-N 3.07Å; K423-R426 PolarHBondContact O-N 2.99Å; K423-L427 WeakPolarHBondContact O-CG 3.39Å; K423-L427 PolarHBondContact O-N 3.38Å
424S86.9Confident89.4Confident58 Ų5887.9 Ų87.941%0.40643%0.429SS..Hα-helixtrans-65.3-37.217864.20000113.3T420 I421 R428T420-S424 PolarHBondContact O-N 2.86Å; T420-S424 PolarHBondContact O-OG 3.28Å; I421-S424 PolarHBondContact O-N 2.9Å; I421-S424 PolarHBondContact O-OG 3.07Å; S424-R428 WeakPolarHBondContact O-CB 3.23Å; S424-R428 PolarHBondContact O-N 2.94Å
425I89.4Confident88.8Confident82 Ų8292.7 Ų92.742%0.42145%0.451SS..Hα-helixtrans-61.9-51.6173.4-69.4166.2000110.4I421 Q422 K423 L427 R428 E429I421-I425 HydrophobicContact CG2-CD1 3.75Å; I421-I425 VanDerWaalsContact O-CG1 3.31Å; I421-I425 WeakPolarHBondContact O-CG1 3.01Å; I421-I425 PolarHBondContact O-N 3.39Å; Q422-I425 PolarHBondContact O-N 3.48Å; K423-I425 PolarHBondContact O-N 3.07Å; I425-L427 VanDerWaalsContact C-N 3.35Å; I425-L427 PolarHBondContact O-N 3.44Å; I425-R428 WeakPolarHBondContact O-CB 3.41Å; I425-R428 PolarHBondContact O-N 2.68Å; I425-E429 HydrophobicContact CG2-CG 4.33Å; I425-E429 WeakPolarHBondContact O-CG 3.29Å; I425-E429 PolarHBondContact O-N 3.06Å
426R91.1Very high88.1Confident144 Ų14491.5 Ų91.554%0.54345%0.452SS..Hα-helixtrans-60.3-42.2179.9-68.4176.4-159-179.99.8112.3Q422 K423 R428 E429 E430Q422-R426 WeakPolarHBondContact O-CG 3.33Å; Q422-R426 PolarHBondContact O-N 3.32Å; K423-R426 PolarHBondContact O-N 2.99Å; R426-R428 VanDerWaalsContact C-N 3.29Å; R426-R428 PolarHBondContact O-N 2.87Å; R426-E429 PolarHBondContact O-N 3.26Å; R426-E430 WeakPolarHBondContact O-CB 3.16Å; R426-E430 PolarHBondContact O-N 2.94Å
427L88.9Confident87.3Confident115 Ų11591.3 Ų91.360%0.60246%0.455SS*.Hα-helixtrans-62.4-36175.4-72.4170.6000112.2K423 I425 A431K423-L427 WeakPolarHBondContact O-CG 3.39Å; K423-L427 PolarHBondContact O-N 3.38Å; I425-L427 VanDerWaalsContact C-N 3.35Å; I425-L427 PolarHBondContact O-N 3.44Å; L427-A431 WeakPolarHBondContact O-CB 3.42Å; L427-A431 PolarHBondContact O-N 3Å
428R86.5Confident86.3Confident189 Ų18998.6 Ų98.671%0.71349%0.487SS*.Hα-helixtrans-72.4-39.7176-167.8173.5-172.2154.13.7112.4S424 I425 R426 A431 L432S424-R428 WeakPolarHBondContact O-CB 3.23Å; S424-R428 PolarHBondContact O-N 2.94Å; I425-R428 WeakPolarHBondContact O-CB 3.41Å; I425-R428 PolarHBondContact O-N 2.68Å; R426-R428 VanDerWaalsContact C-N 3.29Å; R426-R428 PolarHBondContact O-N 2.87Å; R428-A431 PolarHBondContact O-N 3.48Å; R428-L432 HydrophobicContact CG-CD1 4.46Å; R428-L432 VanDerWaalsContact O-CG 3.3Å; R428-L432 WeakPolarHBondContact O-CG 3.37Å; R428-L432 PolarHBondContact O-N 3.16Å
429E89.8Confident84.9Confident123 Ų12398.1 Ų98.158%0.57549%0.49SS*.Hα-helixtrans-62.5-44.5172.5-70.5173.9157.900111.2I425 R426 L432 A433I425-E429 HydrophobicContact CG2-CG 4.33Å; I425-E429 WeakPolarHBondContact O-CG 3.29Å; I425-E429 PolarHBondContact O-N 3.06Å; R426-E429 PolarHBondContact O-N 3.26Å; E429-L432 PolarHBondContact O-N 2.68Å; E429-A433 WeakPolarHBondContact O-CB 3.47Å; E429-A433 PolarHBondContact O-N 3.42Å
430E90.1Very high83.6Confident96 Ų9698 Ų9845%0.44949%0.492SS..Hα-helixtrans-62.1-40.6173.2-84.3-168-136.400113.1R426 A433 K434R426-E430 WeakPolarHBondContact O-CB 3.16Å; R426-E430 PolarHBondContact O-N 2.94Å; E430-A433 PolarHBondContact O-N 3.28Å; E430-K434 WeakPolarHBondContact O-CB 3.49Å; E430-K434 VanDerWaalsContact O-CD 3.28Å; E430-K434 WeakPolarHBondContact O-CD 3.47Å; E430-K434 WeakPolarHBondContact O-CG 3.43Å; E430-K434 PolarHBondContact O-N 3.16Å; E430-K434 IonicContact OE2-NZ 3.82Å; E430-K434 PolarHBondContact OE2-NZ 2.72Å
431A86.1Confident82.1Confident49 Ų4998 Ų9841%0.40549%0.494SS..Hα-helixtrans-63.2-47.517700000111L427 R428 A433 K434 E435L427-A431 WeakPolarHBondContact O-CB 3.42Å; L427-A431 PolarHBondContact O-N 3Å; R428-A431 PolarHBondContact O-N 3.48Å; A431-A433 PolarHBondContact O-N 2.73Å; A431-K434 PolarHBondContact O-N 3.41Å; A431-E435 PolarHBondContact O-N 2.98Å
432L86.2Confident80.6Confident95 Ų9599.6 Ų99.650%0.49751%0.508SS..Hα-helixtrans-60.3-44.3175.8-70.7167.7000111.7R428 E429 K434 E435 E436R428-L432 HydrophobicContact CG-CD1 4.46Å; R428-L432 VanDerWaalsContact O-CG 3.3Å; R428-L432 WeakPolarHBondContact O-CG 3.37Å; R428-L432 PolarHBondContact O-N 3.16Å; E429-L432 PolarHBondContact O-N 2.68Å; L432-K434 VanDerWaalsContact C-N 3.33Å; L432-K434 PolarHBondContact O-N 3.35Å; L432-E435 CarbonylContact O-C 3.51Å; L432-E435 PolarHBondContact O-N 2.95Å; L432-E435 VanDerWaalsContact O-N 3.14Å; L432-E436 PolarHBondContact O-N 2.98Å
433A85.4Confident79Confident48 Ų48101.9 Ų101.940%0.39752%0.519SS..Hα-helixtrans-61.9-38.6175.600000112.6E429 E430 A431 E436 V437E429-A433 WeakPolarHBondContact O-CB 3.47Å; E429-A433 PolarHBondContact O-N 3.42Å; E430-A433 PolarHBondContact O-N 3.28Å; A431-A433 PolarHBondContact O-N 2.73Å; A433-E436 PolarHBondContact O-N 3.14Å; A433-V437 WeakPolarHBondContact O-CG2 3.41Å; A433-V437 PolarHBondContact O-N 2.93Å
434K84Confident77.6Confident128 Ų12899.8 Ų99.856%0.55752%0.516SS*.Hα-helixtrans-67-36.2174.4-70.5159.6-164.5166.40111.4E430 A431 L432 K438E430-K434 WeakPolarHBondContact O-CB 3.49Å; E430-K434 VanDerWaalsContact O-CD 3.28Å; E430-K434 WeakPolarHBondContact O-CD 3.47Å; E430-K434 WeakPolarHBondContact O-CG 3.43Å; E430-K434 PolarHBondContact O-N 3.16Å; E430-K434 IonicContact OE2-NZ 3.82Å; E430-K434 PolarHBondContact OE2-NZ 2.72Å; A431-K434 PolarHBondContact O-N 3.41Å; L432-K434 VanDerWaalsContact C-N 3.33Å; L432-K434 PolarHBondContact O-N 3.35Å; K434-K438 WeakPolarHBondContact O-CB 3.22Å; K434-K438 PolarHBondContact O-N 3.08Å
435E79.2Confident76.4Confident132 Ų13299.9 Ų99.962%0.61752%0.516SS*.Hα-helixtrans-68.7-39.8172.1-69.8-158.7138.300112.9A431 L432 V437 K438 A439A431-E435 PolarHBondContact O-N 2.98Å; L432-E435 CarbonylContact O-C 3.51Å; L432-E435 PolarHBondContact O-N 2.95Å; L432-E435 VanDerWaalsContact O-N 3.14Å; E435-V437 PolarHBondContact O-N 3.23Å; E435-K438 CarbonylContact O-C 3.46Å; E435-K438 WeakPolarHBondContact O-CA 3.31Å; E435-K438 WeakPolarHBondContact O-CB 3.15Å; E435-K438 PolarHBondContact O-N 3.35Å; E435-K438 VanDerWaalsContact O-N 3.12Å; E435-A439 WeakPolarHBondContact O-CB 3.3Å; E435-A439 PolarHBondContact O-N 3Å
436E76.3Confident75.1Confident138 Ų13898.1 Ų98.165%0.64551%0.514SS*.Hα-helixtrans-63.7-38.9174.4-73-172.1165.400112.2L432 A433 K438 A439 T440L432-E436 PolarHBondContact O-N 2.98Å; A433-E436 PolarHBondContact O-N 3.14Å; E436-K438 VanDerWaalsContact C-N 3.33Å; E436-A439 PolarHBondContact O-N 3.18Å; E436-T440 WeakPolarHBondContact O-CB 3.35Å; E436-T440 WeakPolarHBondContact O-CG2 3.41Å; E436-T440 PolarHBondContact O-N 3.35Å; E436-T440 PolarHBondContact O-OG1 3.03Å
437V76.2Confident73.8Confident100 Ų10096.3 Ų96.361%0.60651%0.512SS*.Hα-helixtrans-66.2-34.7172.2172.40000111.5A433 E435 T440 S441A433-V437 WeakPolarHBondContact O-CG2 3.41Å; A433-V437 PolarHBondContact O-N 2.93Å; E435-V437 PolarHBondContact O-N 3.23Å; V437-T440 WeakPolarHBondContact CA-OG1 3.36Å; V437-T440 PolarHBondContact O-OG1 3.5Å; V437-S441 VanDerWaalsContact O-CB 3.32Å; V437-S441 WeakPolarHBondContact O-CB 3.45Å; V437-S441 PolarHBondContact O-N 3.02Å; V437-S441 PolarHBondContact O-OG 2.78Å
438K70.7Confident72.6Confident154 Ų15497.1 Ų97.167%0.6751%0.51SS*.Hα-helixtrans-72.6-34.7174.3-160.9175.3-177.7-177.10112.5K434 E435 E436 S441 S442K434-K438 WeakPolarHBondContact O-CB 3.22Å; K434-K438 PolarHBondContact O-N 3.08Å; E435-K438 CarbonylContact O-C 3.46Å; E435-K438 WeakPolarHBondContact O-CA 3.31Å; E435-K438 WeakPolarHBondContact O-CB 3.15Å; E435-K438 PolarHBondContact O-N 3.35Å; E435-K438 VanDerWaalsContact O-N 3.12Å; E436-K438 VanDerWaalsContact C-N 3.33Å; K438-S441 WeakPolarHBondContact CA-OG 3.35Å; K438-S441 PolarHBondContact O-OG 3.38Å; K438-S441 VanDerWaalsContact O-OG 3.14Å; K438-S442 WeakPolarHBondContact O-CB 3.13Å; K438-S442 PolarHBondContact O-N 3.26Å; K438-S442 PolarHBondContact O-OG 2.79Å
439A63Low71.4Confident42 Ų4293.2 Ų93.235%0.34750%0.503SS..Hα-helixtrans-71.1-44.4175.700000111.6E435 E436 S442 Q443E435-A439 WeakPolarHBondContact O-CB 3.3Å; E435-A439 PolarHBondContact O-N 3Å; E436-A439 PolarHBondContact O-N 3.18Å; A439-S442 WeakPolarHBondContact CA-OG 3.48Å; A439-S442 PolarHBondContact O-OG 2.92Å; A439-Q443 WeakPolarHBondContact O-CB 3.48Å; A439-Q443 VanDerWaalsContact O-CG 3.26Å; A439-Q443 WeakPolarHBondContact O-CG 3.49Å; A439-Q443 PolarHBondContact O-N 2.91Å
440T64.4Low70.3Confident77 Ų7796.1 Ų96.147%0.47251%0.509SS..Hα-helixtrans-68-42.6176.548.90000112E436 V437 S442 Q443 T444E436-T440 WeakPolarHBondContact O-CB 3.35Å; E436-T440 WeakPolarHBondContact O-CG2 3.41Å; E436-T440 PolarHBondContact O-N 3.35Å; E436-T440 PolarHBondContact O-OG1 3.03Å; V437-T440 WeakPolarHBondContact CA-OG1 3.36Å; V437-T440 PolarHBondContact O-OG1 3.5Å; T440-S442 PolarHBondContact O-N 3.35Å; T440-Q443 WeakPolarHBondContact O-CB 3.41Å; T440-Q443 PolarHBondContact O-N 2.77Å; T440-T444 WeakPolarHBondContact O-CG2 3.28Å; T440-T444 PolarHBondContact O-N 3.15Å
441S58.7Low69.2Low60 Ų6097 Ų9742%0.4251%0.511SS..Hα-helixtrans-63-42.5174.953.70000112.5V437 K438 T444 S445V437-S441 VanDerWaalsContact O-CB 3.32Å; V437-S441 WeakPolarHBondContact O-CB 3.45Å; V437-S441 PolarHBondContact O-N 3.02Å; V437-S441 PolarHBondContact O-OG 2.78Å; K438-S441 WeakPolarHBondContact CA-OG 3.35Å; K438-S441 PolarHBondContact O-OG 3.38Å; K438-S441 VanDerWaalsContact O-OG 3.14Å; S441-T444 PolarHBondContact O-N 2.78Å; S441-T444 PolarHBondContact O-OG1 3.35Å; S441-S445 PolarHBondContact O-N 3.22Å
442S57.5Low68.3Low63 Ų6399.3 Ų99.344%0.44152%0.515SS..Hα-helixtrans-67.9-31.2173.555.80000113.7K438 A439 T440 S445 A446K438-S442 WeakPolarHBondContact O-CB 3.13Å; K438-S442 PolarHBondContact O-N 3.26Å; K438-S442 PolarHBondContact O-OG 2.79Å; A439-S442 WeakPolarHBondContact CA-OG 3.48Å; A439-S442 PolarHBondContact O-OG 2.92Å; T440-S442 PolarHBondContact O-N 3.35Å; S442-S445 WeakPolarHBondContact CA-OG 3.32Å; S442-S445 PolarHBondContact O-N 3.09Å; S442-S445 PolarHBondContact O-OG 3.4Å; S442-S445 VanDerWaalsContact O-OG 3.04Å; S442-A446 VanDerWaalsContact O-CB 3.3Å; S442-A446 WeakPolarHBondContact O-CB 3.26Å; S442-A446 PolarHBondContact O-N 2.67Å
443Q57.7Low67.2Low133 Ų13399.2 Ų99.262%0.62152%0.515SS*.Hα-helixtrans-63.2-42.8167.7-77175.815.200111.7A439 T440 S445 A446 E447A439-Q443 WeakPolarHBondContact O-CB 3.48Å; A439-Q443 VanDerWaalsContact O-CG 3.26Å; A439-Q443 WeakPolarHBondContact O-CG 3.49Å; A439-Q443 PolarHBondContact O-N 2.91Å; T440-Q443 WeakPolarHBondContact O-CB 3.41Å; T440-Q443 PolarHBondContact O-N 2.77Å; Q443-S445 PolarHBondContact O-N 2.95Å; Q443-A446 PolarHBondContact O-N 3.39Å; Q443-E447 WeakPolarHBondContact O-CB 3.35Å; Q443-E447 PolarHBondContact O-N 3.47Å
444T61.9Low66.2Low70 Ų70104 Ų10443%0.42953%0.527SS..Hα-helixtrans-68.4-31.7177.768.80000113.3T440 S441 K448T440-T444 WeakPolarHBondContact O-CG2 3.28Å; T440-T444 PolarHBondContact O-N 3.15Å; S441-T444 PolarHBondContact O-N 2.78Å; S441-T444 PolarHBondContact O-OG1 3.35Å; T444-K448 WeakPolarHBondContact O-CB 3.47Å; T444-K448 VanDerWaalsContact O-CG 3.24Å; T444-K448 WeakPolarHBondContact O-CG 3.44Å; T444-K448 PolarHBondContact O-N 3.09Å
445S61.2Low65.2Low59 Ų59103.2 Ų103.241%0.41353%0.525SS..Hα-helixtrans-74.2-39.117464.10000111.7S441 S442 Q443 E447 K448 L449S441-S445 PolarHBondContact O-N 3.22Å; S442-S445 WeakPolarHBondContact CA-OG 3.32Å; S442-S445 PolarHBondContact O-N 3.09Å; S442-S445 PolarHBondContact O-OG 3.4Å; S442-S445 VanDerWaalsContact O-OG 3.04Å; Q443-S445 PolarHBondContact O-N 2.95Å; S445-E447 VanDerWaalsContact C-N 3.32Å; S445-E447 PolarHBondContact O-N 3.42Å; S445-K448 PolarHBondContact O-N 3.41Å; S445-L449 WeakPolarHBondContact O-CG 3.02Å; S445-L449 PolarHBondContact O-N 3.31Å
446A61.7Low64.2Low45 Ų45100.8 Ų100.837%0.37251%0.514SS..Hα-helixtrans-62.1-36.6169.900000112.4S442 Q443 L449 R450S442-A446 VanDerWaalsContact O-CB 3.3Å; S442-A446 WeakPolarHBondContact O-CB 3.26Å; S442-A446 PolarHBondContact O-N 2.67Å; Q443-A446 PolarHBondContact O-N 3.39Å; A446-L449 PolarHBondContact O-N 3.4Å; A446-R450 VanDerWaalsContact O-CG 3.31Å; A446-R450 WeakPolarHBondContact O-CG 3.45Å; A446-R450 PolarHBondContact O-N 3.29Å
447E63.5Low63.5Low106 Ų106101.5 Ų101.550%0.49552%0.515SS..Hα-helixtrans-71.8-39174.6-161.4-167.8-152.600112.2Q443 S445 L449 R450 K451Q443-E447 WeakPolarHBondContact O-CB 3.35Å; Q443-E447 PolarHBondContact O-N 3.47Å; S445-E447 VanDerWaalsContact C-N 3.32Å; S445-E447 PolarHBondContact O-N 3.42Å; E447-L449 VanDerWaalsContact C-N 3.34Å; E447-L449 PolarHBondContact O-N 2.96Å; E447-R450 CarbonylContact O-C 3.56Å; E447-R450 WeakPolarHBondContact O-CB 3.48Å; E447-R450 PolarHBondContact O-N 3.33Å; E447-K451 PolarHBondContact O-N 3.16Å; E447-K451 IonicContact OE2-NZ 2.61Å
448K65.5Low62.5Low133 Ų133104.8 Ų104.858%0.57852%0.516SS*.Hα-helixtrans-59.5-43.6170.1-76.4167.5-1781750111.2T444 S445 R450 K451 I452T444-K448 WeakPolarHBondContact O-CB 3.47Å; T444-K448 VanDerWaalsContact O-CG 3.24Å; T444-K448 WeakPolarHBondContact O-CG 3.44Å; T444-K448 PolarHBondContact O-N 3.09Å; S445-K448 PolarHBondContact O-N 3.41Å; K448-R450 PolarHBondContact O-N 3.31Å; K448-K451 WeakPolarHBondContact O-CB 3.35Å; K448-K451 PolarHBondContact O-N 3.1Å; K448-K451 VanDerWaalsContact O-N 3.12Å; K448-I452 WeakPolarHBondContact O-CG1 3.47Å; K448-I452 PolarHBondContact O-N 3.25Å
449L60.8Low61.6Low106 Ų10699.9 Ų99.956%0.55550%0.504SS*.Hα-helixtrans-62.5-38.6172.9-74.5167.1000112.3S445 A446 E447 K451 I452 L453S445-L449 WeakPolarHBondContact O-CG 3.02Å; S445-L449 PolarHBondContact O-N 3.31Å; A446-L449 PolarHBondContact O-N 3.4Å; E447-L449 VanDerWaalsContact C-N 3.34Å; E447-L449 PolarHBondContact O-N 2.96Å; L449-K451 VanDerWaalsContact C-N 3.33Å; L449-K451 PolarHBondContact O-N 3.46Å; L449-I452 PolarHBondContact O-N 2.99Å; L449-L453 WeakPolarHBondContact O-CB 3.45Å; L449-L453 PolarHBondContact O-N 2.88Å
450R66.1Low61.1Low185 Ų185104.5 Ų104.570%0.69852%0.517SS*.Hα-helixtrans-65.9-31172-73.5170.4175.4-169.3-0.6113.1A446 E447 K448 K454A446-R450 VanDerWaalsContact O-CG 3.31Å; A446-R450 WeakPolarHBondContact O-CG 3.45Å; A446-R450 PolarHBondContact O-N 3.29Å; E447-R450 CarbonylContact O-C 3.56Å; E447-R450 WeakPolarHBondContact O-CB 3.48Å; E447-R450 PolarHBondContact O-N 3.33Å; K448-R450 PolarHBondContact O-N 3.31Å; R450-K454 WeakPolarHBondContact O-CG 3.47Å; R450-K454 PolarHBondContact O-N 3.35Å
451K66.3Low60.4Low114 Ų114109.1 Ų109.150%0.49653%0.53SS..Hα-helixtrans-71.1-47.7170.9-76.4173.7178.8162.70111.1E447 K448 L449 L453 K454 E455E447-K451 PolarHBondContact O-N 3.16Å; E447-K451 IonicContact OE2-NZ 2.61Å; K448-K451 WeakPolarHBondContact O-CB 3.35Å; K448-K451 PolarHBondContact O-N 3.1Å; K448-K451 VanDerWaalsContact O-N 3.12Å; L449-K451 VanDerWaalsContact C-N 3.33Å; L449-K451 PolarHBondContact O-N 3.46Å; K451-L453 PolarHBondContact O-N 3.11Å; K451-K454 CarbonylContact O-C 3.47Å; K451-K454 WeakPolarHBondContact O-CA 3.15Å; K451-K454 WeakPolarHBondContact O-CB 3.36Å; K451-K454 PolarHBondContact O-N 3.23Å; K451-E455 PolarHBondContact O-N 3.4Å
452I68.6Low59.9Low97 Ų97115.3 Ų115.350%0.49755%0.549SS..Hα-helixtrans-59-44.7176.4-67163.7000110.7K448 L449 K454 E455 E456K448-I452 WeakPolarHBondContact O-CG1 3.47Å; K448-I452 PolarHBondContact O-N 3.25Å; L449-I452 PolarHBondContact O-N 2.99Å; I452-K454 VanDerWaalsContact C-N 3.31Å; I452-K454 PolarHBondContact O-N 2.94Å; I452-E455 CarbonylContact O-C 3.53Å; I452-E455 PolarHBondContact O-N 3.33Å; I452-E455 VanDerWaalsContact O-N 3.07Å; I452-E456 WeakPolarHBondContact O-CB 3.48Å; I452-E456 PolarHBondContact O-N 3.02Å
453L61.9Low59.3Low93 Ų93123.3 Ų123.349%0.48757%0.57SS.*Hα-helixtrans-64-30.6173.6-83164.4000113.5L449 K451 K457L449-L453 WeakPolarHBondContact O-CB 3.45Å; L449-L453 PolarHBondContact O-N 2.88Å; K451-L453 PolarHBondContact O-N 3.11Å; L453-K457 VanDerWaalsContact O-CB 3.29Å; L453-K457 WeakPolarHBondContact O-CB 3.32Å; L453-K457 VanDerWaalsContact O-CG 3.23Å; L453-K457 WeakPolarHBondContact O-CG 3.36Å; L453-K457 PolarHBondContact O-N 3.34Å; L453-K457 VanDerWaalsContact O-N 3.08Å
454K64.9Low58.8Low149 Ų149125.6 Ų125.665%0.64858%0.578SS**Hα-helixtrans-71.4-35.3170.4-84.6178.4174.4177.40111.8R450 K451 I452 R458R450-K454 WeakPolarHBondContact O-CG 3.47Å; R450-K454 PolarHBondContact O-N 3.35Å; K451-K454 CarbonylContact O-C 3.47Å; K451-K454 WeakPolarHBondContact O-CA 3.15Å; K451-K454 WeakPolarHBondContact O-CB 3.36Å; K451-K454 PolarHBondContact O-N 3.23Å; I452-K454 VanDerWaalsContact C-N 3.31Å; I452-K454 PolarHBondContact O-N 2.94Å; K454-R458 WeakPolarHBondContact O-CB 3.44Å; K454-R458 VanDerWaalsContact O-CG 3.26Å; K454-R458 WeakPolarHBondContact O-CG 3.46Å; K454-R458 PolarHBondContact O-N 2.71Å
455E63.3Low57.6Low112 Ų112133.1 Ų133.152%0.52360%0.598SS.*Hα-helixtrans-77.8-36.3179.5-73.417616600112.4K451 I452 R458 A459K451-E455 PolarHBondContact O-N 3.4Å; I452-E455 CarbonylContact O-C 3.53Å; I452-E455 PolarHBondContact O-N 3.33Å; I452-E455 VanDerWaalsContact O-N 3.07Å; E455-R458 CarbonylContact O-C 3.54Å; E455-R458 WeakPolarHBondContact O-CA 3.33Å; E455-R458 WeakPolarHBondContact O-CB 3.46Å; E455-R458 PolarHBondContact O-N 3.38Å; E455-R458 VanDerWaalsContact O-N 3.15Å; E455-A459 WeakPolarHBondContact O-CB 3.43Å; E455-A459 PolarHBondContact O-N 2.9Å
456E58.9Low56.4Low80 Ų80134.9 Ų134.937%0.37461%0.611SS.*Hα-helixtrans-65.9-41.5170-161-138.9138.500110.8I452 R458 A459 K460I452-E456 WeakPolarHBondContact O-CB 3.48Å; I452-E456 PolarHBondContact O-N 3.02Å; E456-R458 VanDerWaalsContact C-N 3.31Å; E456-R458 PolarHBondContact O-N 2.93Å; E456-A459 PolarHBondContact O-N 3.49Å; E456-K460 WeakPolarHBondContact O-CB 3.26Å; E456-K460 PolarHBondContact O-N 3.24Å; E456-K460 WeakPolarHBondContact OE1-CE 3.5Å; E456-K460 IonicContact OE1-NZ 3.85Å; E456-K460 PolarHBondContact OE1-NZ 3.17Å
457K59.9Low55Low153 Ų153137.5 Ų137.567%0.66563%0.626SS**Hα-helixtrans-62.1-36.1168.9-77.7178.3178.7-176.60112.2L453 K461L453-K457 VanDerWaalsContact O-CB 3.29Å; L453-K457 WeakPolarHBondContact O-CB 3.32Å; L453-K457 VanDerWaalsContact O-CG 3.23Å; L453-K457 WeakPolarHBondContact O-CG 3.36Å; L453-K457 PolarHBondContact O-N 3.34Å; L453-K457 VanDerWaalsContact O-N 3.08Å; K457-K461 PolarHBondContact O-N 3.11Å
458R56.1Low53.7Low170 Ų170138 Ų13864%0.64264%0.641SS**Hα-helixtrans-68.3-36.3171.6-76.8165.8165.3-177.9-6.5112.4K454 E455 E456 K461 K462K454-R458 WeakPolarHBondContact O-CB 3.44Å; K454-R458 VanDerWaalsContact O-CG 3.26Å; K454-R458 WeakPolarHBondContact O-CG 3.46Å; K454-R458 PolarHBondContact O-N 2.71Å; E455-R458 CarbonylContact O-C 3.54Å; E455-R458 WeakPolarHBondContact O-CA 3.33Å; E455-R458 WeakPolarHBondContact O-CB 3.46Å; E455-R458 PolarHBondContact O-N 3.38Å; E455-R458 VanDerWaalsContact O-N 3.15Å; E456-R458 VanDerWaalsContact C-N 3.31Å; E456-R458 PolarHBondContact O-N 2.93Å; R458-K461 CarbonylContact O-C 3.58Å; R458-K461 WeakPolarHBondContact O-CB 3.28Å; R458-K461 PolarHBondContact O-N 3.11Å; R458-K462 PolarHBondContact O-N 3.37Å
459A52.7Low52.3Low50 Ų50137.4 Ų137.441%0.41365%0.654SS.*Hα-helixtrans-70.3-43.5176.700000111.8E455 E456 K461 K462 R463E455-A459 WeakPolarHBondContact O-CB 3.43Å; E455-A459 PolarHBondContact O-N 2.9Å; E456-A459 PolarHBondContact O-N 3.49Å; A459-K461 PolarHBondContact O-N 3.49Å; A459-K462 PolarHBondContact O-N 3.08Å; A459-K462 VanDerWaalsContact O-N 3.09Å; A459-R463 PolarHBondContact O-N 3.32Å
460K52.2Low51.2Low140 Ų140137.8 Ų137.861%0.60967%0.665SS**Hα-helixtrans-60.5-29.8169.2-78.1173.1168167.50112.1E456E456-K460 WeakPolarHBondContact O-CB 3.26Å; E456-K460 PolarHBondContact O-N 3.24Å; E456-K460 WeakPolarHBondContact OE1-CE 3.5Å; E456-K460 IonicContact OE1-NZ 3.85Å; E456-K460 PolarHBondContact OE1-NZ 3.17Å
461K49.8Very low49.6Very low173 Ų173134.2 Ų134.275%0.75267%0.669SS**Hα-helixtrans-73.1-43.2168.1-129.5179.3-176.6-174.60112.9K457 R458 A459 R463 K464K457-K461 PolarHBondContact O-N 3.11Å; R458-K461 CarbonylContact O-C 3.58Å; R458-K461 WeakPolarHBondContact O-CB 3.28Å; R458-K461 PolarHBondContact O-N 3.11Å; A459-K461 PolarHBondContact O-N 3.49Å; K461-R463 VanDerWaalsContact C-N 3.26Å; K461-R463 PolarHBondContact O-N 2.71Å; K461-K464 PolarHBondContact O-N 2.8Å
462K46.9Very low48Very low190 Ų190133.6 Ų133.683%0.82668%0.679SS**Hα-helixtrans-62.4-26.6176.2-78.6-171.3173.7-172.30113.6R458 A459 K464R458-K462 PolarHBondContact O-N 3.37Å; A459-K462 PolarHBondContact O-N 3.08Å; A459-K462 VanDerWaalsContact O-N 3.09Å; K462-K464 VanDerWaalsContact C-N 3.26Å; K462-K464 PolarHBondContact O-N 3.25Å
463R45.3Very low46.5Very low232 Ų232134.4 Ų134.488%0.87569%0.693SS**THydrogen-bonded Turntrans-80.54.3171.4-65.5-17680.9167.93.8114.3A459 K461A459-R463 PolarHBondContact O-N 3.32Å; K461-R463 VanDerWaalsContact C-N 3.26Å; K461-R463 PolarHBondContact O-N 2.71Å
464K48.1Very low45.2Very low180 Ų180135.8 Ų135.878%0.78371%0.711SS**SBendtrans-117.274.6168.9-70.4-162.8173.6-168.60111.4K461 K462K461-K464 PolarHBondContact O-N 2.8Å; K462-K464 VanDerWaalsContact C-N 3.26Å; K462-K464 PolarHBondContact O-N 3.25Å
465R35.3Very low43.7Very low228 Ų228134.3 Ų134.386%0.8672%0.719SS**  trans31.2121.5157.7-74.4-177.3171.8167.7-3.2119.7
466S36Very low42.4Very low97 Ų97134 Ų13468%0.67873%0.729SS**  trans27123139.655.80000120.4
467S33.9Very low41.3Very low99 Ų99135.1 Ų135.169%0.69275%0.746SS**  trans43.694.314656.40000117
468S34.8Very low40.3Very low117 Ų117132.3 Ų132.382%0.81875%0.745SS**  80.4149.796.866.10000113.8
469S35.9Very low39.7Very low121 Ų121129.7 Ų129.785%0.84675%0.753SS**  cis-135.8-171.220.959.60000113.4
470S37.6Very low39.1Very low113 Ų113132.7 Ų132.779%0.7977%0.772SS**  trans-123.1154-17254.50000112.4
471S34.1Very low38.6Very low111 Ų111130.7 Ų130.778%0.77678%0.775SS**  trans-145.7139.2158.549.10000113.6
472S32.9Very low38.2Very low100 Ų100127.7 Ų127.770%0.69978%0.776SS**  trans25.1102.4151.955.40000121.6
473S37Very low37.9Very low114 Ų114123.4 Ų123.480%0.79777%0.77SS**  23.5136.1116.660.70000122.3
474S34Very low37.7Very low123 Ų123117.5 Ų117.586%0.8676%0.764SS**  trans-150.5152.6132.558.10000110.7
475S33.8Very low37.3Very low117 Ų117114.7 Ų114.782%0.81877%0.767SS**  trans-159.2125.2-172.6580000114.8
476S34.5Very low37.5Very low105 Ų105109.3 Ų109.373%0.73476%0.764SS**  trans-166.8143.5160.654.20000107.4
477S36.3Very low37.4Very low105 Ų105110.3 Ų110.373%0.73477%0.772SS**  cis65.3155.437.290.20000112.4
478S40Very low37.8Very low93 Ų93110 Ų11065%0.6577%0.77SS**  cis-154.7154.79.2-10.50000107.7
479S41.9Very low38.3Very low115 Ų115115 Ų11580%0.80477%0.77SS**  57.3140.472.999.70000117.3
480S40.9Very low38.5Very low114 Ų114119.3 Ų119.380%0.79777%0.768SS**  trans-179.2153.315547.60000107.9
481S42.2Very low38.5Very low98 Ų98124.3 Ų124.369%0.68577%0.77SS**  cis-153.7137.6-3.85.80000107
482S41.6Very low39.1Very low109 Ų109123.5 Ų123.576%0.76276%0.764SS**  66.9157.279900000113.8
483S39.8Very low39.8Very low101 Ų101128.2 Ų128.271%0.70677%0.772SS**  cis-172.4-175.21112.40000109
484S41.3Very low40.2Very low107 Ų107132.3 Ų132.375%0.74878%0.775SS**  -175.7172.1-54.263.10000110.7
485S39.2Very low40.4Very low122 Ų122136.6 Ų136.685%0.85378%0.778SS**  trans73.1146.417984.30000116.2
486S38.8Very low40.8Very low114 Ų114140 Ų14080%0.79778%0.778SS**  cis-146.2-169.31.968.70000109.3
487S35.1Very low41.3Very low119 Ų119144.1 Ų144.183%0.83278%0.783SS**  cis-138.3-116.6565.80000112.6
488S41.8Very low41.4Very low93 Ų93147.6 Ų147.665%0.6579%0.785SS**  trans-159.4149.4-172.291.50000121.4
489R45.3Very low41.4Very low221 Ų221153 Ų15383%0.83479%0.791SS**  trans89.1129.4142.1-75.4170.1176.4-174.40.4123.9
490R41.2Very low41.4Very low212 Ų212155.9 Ų155.980%0.879%0.789SS**  trans74.5156.6152.9-68.8176.3172.8-179.6-1.2116.9
491R36.7Very low41.4Very low218 Ų218158.9 Ų158.982%0.82379%0.788SS**  cis-144.4-150.10.2-138.8175.5-179.6174.5-1.5113.1
492S46Very low41.1Very low93 Ų93158.7 Ų158.765%0.6579%0.787SS**  trans-127.1149.9-151.757.60000118.5
493K48.3Very low40.8Very low200 Ų200163.2 Ų163.287%0.8779%0.787SS**  trans54.5120.8146-74.7-176.9175.9175.90122.3
494K45Very low40.6Very low199 Ų199169 Ų16987%0.86579%0.793SS**  77.5109.9126.5-170.6-175.8-175.8178.90121.7
495K39.4Very low40.2Very low213 Ų213167.3 Ų167.393%0.92679%0.793SS**  trans-163.4-171.8136.2-113.8171-175.3178.20114.3
496K41Very low39.9Very low188 Ų188173.6 Ų173.682%0.81780%0.798SS**  trans-105.2149.5-154.5-63.3174.5175.5174.40116.5
497K44.4Very low39.6Very low193 Ų193172.2 Ų172.284%0.83979%0.788SS**  trans61.4156.9149.6-70.8-178.4177.7-177.80116.9
498K39.8Very low39.6Very low177 Ų177175.2 Ų175.277%0.7779%0.786SS**  cis-157.8156.710.9-145178.6-178.7179.80111.8
499R38.8Very low39.2Very low206 Ų206178.6 Ų178.678%0.77779%0.791SS**  trans73.6120.7156.2-90.8-174.1170.6-176-2.4122.9
500K43Very low38.6Very low176 Ų176180 Ų18077%0.76580%0.797SS**  trans58.9145.9130.4-76.5-170.6175.2-1760121.1
501K40.3Very low38.2Very low177 Ų177181.8 Ų181.877%0.7780%0.803SS**  cis-172158.5-11.9-167.7-172.2179.7-172.10111
502S36Very low37.8Very low95 Ų95183.6 Ų183.666%0.66481%0.81SS**  trans79151.7157-5.20000118.6
503R35.2Very low36.8Very low203 Ų203186.2 Ų186.277%0.76681%0.81SS**  cis-167.8141-7.6-128.5176179.7-175.50.2112.3
504R36.6Very low35.8Very low223 Ų223182.2 Ų182.284%0.84281%0.807SS**  trans53.4155.7150.9-67.8171.3172.5179-6120.6
505G31.7Very low34.9Very low71 Ų71179.7 Ų179.773%0.73280%0.798SS**  cis158168.9-11.200000115.2
506R34.3Very low34.2Very low254 Ų254179 Ų17996%0.95880%0.798SS**  trans77163.8168.9-76.6-175.9160.6-169.4-5.2120.4
507S31.6Very low33.5Very low85 Ų85173.7 Ų173.759%0.59480%0.797SS**  cis171.7141-31.6175.10000116.3
508K34.5Very low32.7Very low182 Ų182174.3 Ų174.379%0.79180%0.8SS**  trans64.1168.7152.6-78.9-177.9172.1-170.90120.1
509H34.8Very low32Very low165 Ų165172 Ų17276%0.76481%0.806SS**  cis-169.3169.4-27.5-114.3-38.7000110.6
510R31.8Very low31.4Very low251 Ų251165.9 Ų165.995%0.94781%0.808SS**  trans-161.7172.9154.2-120.2176.9-178.7-172.9-1.1115.8
511R32.3Very low30.7Very low249 Ų249168.1 Ų168.194%0.9482%0.817SS**  trans-137.6169.1-166.9-89.3179.9162.8-179.7-6.3113.6
512R28Very low29.9Very low256 Ų256163.4 Ų163.497%0.96682%0.819SS**  trans-156.3-165.6144.9-140.4-175.3-178.7-172.1-0.5112.2
513K26.7Very low29.4Very low148 Ų148170 Ų17064%0.64383%0.829SS**  trans-148.7146.9-171.5-178.7-109.3-167.5178.60112.2E515K513-E515 VanDerWaalsContact CE-CD 3.44Å; K513-E515 VanDerWaalsContact CE-OE1 3.27Å; K513-E515 WeakPolarHBondContact CE-OE1 3.2Å; K513-E515 WeakPolarHBondContact CE-OE2 3.37Å; K513-E515 IonicContact NZ-OE1 3.96Å; K513-E515 PolarHBondContact NZ-OE1 3.29Å; K513-E515 IonicContact NZ-OE2 3.91Å; K513-E515 PolarHBondContact NZ-OE2 3.26Å
514S26.6Very low28.9Very low116 Ų116167.6 Ų167.681%0.81183%0.829SS**  trans-163162.6164.657.20000111.8
515E26.1Very low28.4Very low146 Ų146166.5 Ų166.568%0.68283%0.833SS**  trans-128.6-166.9-167.7-74.3151.5146.600113.3K513K513-E515 VanDerWaalsContact CE-CD 3.44Å; K513-E515 VanDerWaalsContact CE-OE1 3.27Å; K513-E515 WeakPolarHBondContact CE-OE1 3.2Å; K513-E515 WeakPolarHBondContact CE-OE2 3.37Å; K513-E515 IonicContact NZ-OE1 3.96Å; K513-E515 PolarHBondContact NZ-OE1 3.29Å; K513-E515 IonicContact NZ-OE2 3.91Å; K513-E515 PolarHBondContact NZ-OE2 3.26Å
516E25.3Very low28.2Very low197 Ų197172.2 Ų172.292%0.92184%0.838SS**  trans78.6135.6171.2-62.1-155.3137.100119
517G26.4Very low27.8Very low78 Ų78169.1 Ų169.180%0.80483%0.834SS**  trans-152.5130.3171.100000110.3
518K27.4Very low27.6Very low205 Ų205174.4 Ų174.489%0.89185%0.85SS**  trans-98.3165.4178.1-83.7-179.81771720112.1
519S25.1Very low27.3Very low129 Ų129174.8 Ų174.890%0.90285%0.854SS**  trans-63.4147.5-175.947.90000115
520G26.4Very low27Very low78 Ų78175.9 Ų175.980%0.80486%0.86SS**  trans-166130.716800000111.4
521K27.3Very low26.7Very low222 Ų222173.2 Ų173.297%0.96586%0.858SS**  trans-88124.8175.7-75.2-176.5174.2-179.40110.2
522G24.7Very low26.6Very low79 Ų79169.2 Ų169.281%0.81486%0.855SS**  trans-137.198-178.300000112.7
523R24.3Very low26.5Very low232 Ų232164.3 Ų164.388%0.87584%0.842SS**  trans-48.8127-174.5-175.3-174-165.7174.64.9117.1
524M24.9Very low26.4Very low154 Ų154168.5 Ų168.576%0.75985%0.854SS**  trans48.9121.3152.2-65.6175.5116.200120.4
525E26.3Very low26.7Very low200 Ų200170 Ų17094%0.93585%0.847SS**  -137.7165.1120.2-116.3158.4-154.900108.6
526K26.5Very low26.8Very low191 Ų191168.2 Ų168.283%0.8385%0.847SS**  trans-109.9120.5-178.8-86.9-167.4171.5-162.90110
527E26.2Very low27.2Very low188 Ų188163.1 Ų163.188%0.87984%0.839SS**  trans-123.9149.1157.7-64.1-168.5136.300108.3E529E527-E529 PolarHBondContact O-N 3.06Å
528E29.1Very low27.4Very low197 Ų197164.8 Ų164.892%0.92184%0.836SS**  trans-96.191.2-174.6-66.5178.1151.900109.4
529E26.7Very low27.5Very low189 Ų189160.1 Ų160.188%0.88383%0.827SS**  trans-83.3124.5168.7-65.8-169.2129.200109.9E527E527-E529 PolarHBondContact O-N 3.06Å
530E28.2Very low27.7Very low189 Ų189160.6 Ų160.688%0.88382%0.819SS**  trans-65.5140.1170.6-66.9-178.2127.700110.3L532E530-L532 PolarHBondContact O-N 2.75Å
531E26.2Very low28Very low194 Ų194163.5 Ų163.591%0.90782%0.821SS**  trans-62.7109.8-173.8-69.3179.7116.300112.3E533E531-E533 PolarHBondContact O-N 2.95Å
532L29.4Very low28.2Very low166 Ų166157.2 Ų157.287%0.86981%0.805SS**  trans-71.891.4165.3-80.5165.8000109.4E530 W534E530-L532 PolarHBondContact O-N 2.75Å; L532-W534 VanDerWaalsContact C-N 3.3Å; L532-W534 PolarHBondContact O-N 3.45Å
533E26.6Very low28.5Very low152 Ų152158 Ų15871%0.7180%0.804SS**  trans-60.489.9168.3-75.7-165.512200110.9E531 F535E531-E533 PolarHBondContact O-N 2.95Å; E533-F535 HydrophobicContact CB-CD2 4.11Å; E533-F535 HydrophobicContact CB-CE2 3.65Å; E533-F535 HydrophobicContact CB-CZ 4.39Å; E533-F535 HydrophobicContact CG-CE2 4.24Å; E533-F535 PolarHBondContact O-N 3.23Å
534W24.3Very low29Very low236 Ų236153.2 Ų153.289%0.89480%0.801SS**  trans-78.686.1175.9-171.7-76.4000110.1L532L532-W534 VanDerWaalsContact C-N 3.3Å; L532-W534 PolarHBondContact O-N 3.45Å
535F33.2Very low29.2Very low149 Ų149154.9 Ų154.965%0.65480%0.804SS**PPolyproline II helixtrans-76.5132.3166.3-67.8-74.6000110.3E533E533-F535 HydrophobicContact CB-CD2 4.11Å; E533-F535 HydrophobicContact CB-CE2 3.65Å; E533-F535 HydrophobicContact CB-CZ 4.39Å; E533-F535 HydrophobicContact CG-CE2 4.24Å; E533-F535 PolarHBondContact O-N 3.23Å
536P29.2Very low29.5Very low107 Ų107153 Ų15370%0.69580%0.8SS**PPolyproline II helixtrans-65147.3175.128.6-34.6000110.6
537A32.7Very low29.7Very low90 Ų90151.5 Ų151.574%0.74480%0.801SS**PPolyproline II helixtrans-60.2136.3177.700000110.8
538P31.3Very low29.8Very low113 Ų113151.4 Ų151.473%0.73480%0.8SS**PPolyproline II helixtrans-65.8133.5174.128-33.5000109.5
539P29.5Very low29.9Very low108 Ų108151.9 Ų151.970%0.70180%0.799SS**SBendtrans-68.2153.2174.729-34.4000111.1
540N29.3Very low29.8Very low139 Ų139146.7 Ų146.774%0.74380%0.797SS**  trans71.689.2168.4-48.5-25.6000116.6
541T32.6Very low29.6Very low138 Ų138143.8 Ų143.885%0.84780%0.797SS**  trans-107.110.4158.349.60000113.3A543T541-A543 PolarHBondContact O-N 2.93Å
542S31.6Very low29.5Very low90 Ų90141.7 Ų141.763%0.62979%0.792SS**SBendtrans-71113.4165.941.60000110.3T544S542-T544 PolarHBondContact O-N 3.43Å
543A30.8Very low29.3Very low95 Ų95139.4 Ų139.479%0.78578%0.784SS**  trans-82.375.8-163.400000114.8T541 F545T541-A543 PolarHBondContact O-N 2.93Å; A543-F545 VanDerWaalsContact C-N 3.34Å; A543-F545 PolarHBondContact O-N 3.44Å
544T34Very low29.1Very low133 Ų133142.1 Ų142.182%0.81679%0.794SS**  trans-93.551.6173.5-42.50000112.3S542 L546S542-T544 PolarHBondContact O-N 3.43Å; T544-L546 PolarHBondContact O-N 3.28Å
545F30.2Very low29Very low189 Ų189134.1 Ų134.183%0.82979%0.785SS**  trans-9481-178.1-96-79.8000113.1A543A543-F545 VanDerWaalsContact C-N 3.34Å; A543-F545 PolarHBondContact O-N 3.44Å
546L32.1Very low28.5Very low161 Ų161131 Ų13184%0.84379%0.794SS**  trans-143.557.2170.1-126.4177.9000113.5T544T544-L546 PolarHBondContact O-N 3.28Å
547N30.2Very low28.3Very low159 Ų159130.2 Ų130.285%0.8580%0.797SS**  trans-156.995.3155.4-110.4-31.7000112
548Q28.8Very low28Very low186 Ų186134.7 Ų134.787%0.86980%0.803SS**  trans-113.9103.8159.6-79.6-168.8-3.800109.7
549K30.6Very low27.7Very low206 Ų206137.7 Ų137.790%0.89681%0.807SS**  trans-128.1106.8148.6-80.6-170.9175.6-179.30106.8
550G26.1Very low27.4Very low81 Ų81139.9 Ų139.984%0.83581%0.813SS**  trans-84.3149.517900000112.2
551S22.4Very low27.1Very low127 Ų127136.4 Ų136.489%0.88881%0.81SS**  trans-141.2162.4137-162.70000108.5
552L25.2Very low26.7Very low151 Ų151137.3 Ų137.379%0.79182%0.815SS**  trans-113.9140.2-166.3-78.8158.3000111.1
553V24.2Very low26.3Very low118 Ų118136.7 Ų136.772%0.71582%0.823SS**  trans65.8145.7139.2175.90000117
554F22.9Very low26Very low208 Ų208136 Ų13691%0.91282%0.824SS**  cis-132.4169.8-16.6-109.7-54.7000103.5
555G23.1Very low25.5Very low69 Ų69138 Ų13871%0.71183%0.83SS**  cis131107.316.400000111
556G22.5Very low25.2Very low82 Ų82132.4 Ų132.485%0.84583%0.826SS**  trans111.9141.9157.400000120
557A24.9Very low24.9Very low92 Ų92134.5 Ų134.576%0.7683%0.828SS**  trans69.7104.6153.900000122.4
558E24.8Very low24.7Very low183 Ų183133.2 Ų133.286%0.85583%0.826SS**  62138.3118-69.1175.517200125
559E25.2Very low24.6Very low177 Ų177129.2 Ų129.283%0.82782%0.819SS**  trans67.7141.1153.8-68.1-171.6158.500124.3
560D23.7Very low24.3Very low154 Ų154131 Ų13182%0.82482%0.82SS**  trans43.2118.7153.3-74.77.3000123.8
561G22.7Very low24.3Very low66 Ų66134.8 Ų134.868%0.6882%0.82SS**  110.1133.8100.900000119.3
562V25.1Very low24.5Very low157 Ų157138.9 Ų138.995%0.95282%0.818SS**  trans70.6146.7165.1-168.80000115.4
563G22.3Very low24.6Very low77 Ų77137.5 Ų137.579%0.79482%0.821SS**  trans-111.1175-17300000114.9
564G24.1Very low24.6Very low79 Ų79139.8 Ų139.881%0.81483%0.828SS**  trans-162.6142.8172.900000112
565D23.6Very low24.8Very low176 Ų176134.2 Ų134.294%0.94182%0.821SS**  trans-67.8134.6178.3-88.8-57.7000112.4
566G24.6Very low25Very low72 Ų72135.8 Ų135.874%0.74283%0.827SS**  trans-153.491.9179.700000113
567K25.6Very low25.1Very low204 Ų204136.7 Ų136.789%0.88783%0.826SS**  trans-77.1126.1179.6-60.4166.9-177.2168.40111.8
568T26.1Very low25.3Very low132 Ų132138 Ų13881%0.8183%0.83SS**  trans-156146.6152.72.30000114.5
569S27.6Very low25.5Very low102 Ų102138.3 Ų138.371%0.71383%0.831SS**  trans43.686.7156.157.40000119.4
570R24.3Very low25.6Very low244 Ų244138.6 Ų138.692%0.92183%0.832SS**  trans-62.7129.1132.9-69173171.8172.5-5.8108.2
571L26Very low25.9Very low160 Ų160139.5 Ų139.584%0.83883%0.832SS**  trans-160.5104.1151.8-84.9-167000110.1
572Y25.6Very low26.1Very low213 Ų213144 Ų14484%0.83584%0.835SS**  trans-178.391.3133.5-103.9-66.1000109.2L574Y572-L574 HydrophobicContact CE1-CD1 4.47Å
573S27.6Very low26.2Very low122 Ų122141.6 Ų141.685%0.85383%0.825SS**  trans-152.582.6172-59.10000107.6A575S573-A575 PolarHBondContact O-N 3.42Å
574L25.4Very low26.2Very low166 Ų166145 Ų14587%0.86983%0.825SS**  trans-9199.5178.2-75.3169.4000109.1Y572Y572-L574 HydrophobicContact CE1-CD1 4.47Å
575A25.2Very low26.3Very low92 Ų92145.5 Ų145.576%0.7682%0.816SS**  trans-141.1144.5170.900000109S573S573-A575 PolarHBondContact O-N 3.42Å
576A28.5Very low26.5Very low102 Ų102142.3 Ų142.384%0.84381%0.808SS**  trans55106.6178.500000116.4
577A24.8Very low26.5Very low100 Ų100146.2 Ų146.283%0.82681%0.806SS**  trans-94.5128.6153.100000108.8
578S27.7Very low26.4Very low120 Ų120145.7 Ų145.784%0.83980%0.799SS**  trans-150.4137.9161-69.50000106.6
579E29Very low26.4Very low190 Ų190147.8 Ų147.889%0.88880%0.799SS**  trans-106.1-172.6-172.4-62.5177.6131.600110.3
580E29.3Very low26.2Very low182 Ų182146.4 Ų146.485%0.8580%0.802SS**  trans75.6113.2-177.1-52.4179.4-164.500112.4
581E29.3Very low26.3Very low173 Ų173143.3 Ų143.381%0.80880%0.795SS**  cis61.1132.649.2-50.5-71-171.600111.5
582E26.6Very low26.3Very low161 Ų161146.3 Ų146.375%0.75280%0.795SS**  cis-151.5165.815.9-137-175.7-155.700111.1
583S26.5Very low26.3Very low106 Ų106145.2 Ų145.274%0.74179%0.789SS**  trans26.5148.2142.2-61.80000123.3
584D23.9Very low26.2Very low149 Ų149143.4 Ų143.480%0.79777%0.77SS**  cis-171.3177.5-9.9176.936.1000108.9
585S25.5Very low26.2Very low89 Ų89145.7 Ų145.762%0.62277%0.767SS**  trans103.887.5148.979.40000120.7
586S27.6Very low26.3Very low109 Ų109145.3 Ų145.376%0.76276%0.764SS**  91.7111.7116.383.50000122.4
587H24.7Very low26.1Very low154 Ų154149.2 Ų149.271%0.71376%0.764SS**  83.6121.4121.8-121.544.8000123.7
588R24.3Very low26.1Very low193 Ų193150 Ų15073%0.72876%0.764SS**  trans88.9113.7143.4-74.9177.4-175.3-161.32.8123.3
589Q25.6Very low26.1Very low176 Ų176148.3 Ų148.382%0.82277%0.765SS**  trans63.4131.9133.2-60.2-171.612.300120.4
590G23.5Very low25.9Very low74 Ų74144 Ų14476%0.76376%0.762SS**  trans-150.3-26.2-179.700000122.2
591K26.6Very low25.8Very low178 Ų178142.2 Ų142.277%0.77476%0.759SS**  trans55132173.4-71171.1177.4163.80119.4
592R24.3Very low25.7Very low223 Ų223141.5 Ų141.584%0.84275%0.753SS**  trans69164.8147-65.4171.9172.2-173-4.4115.3
593R26.2Very low25.6Very low191 Ų191143.8 Ų143.872%0.72176%0.755SS**  cis-161.1171.1-9.7-123.9-167.9142-174.3-18.6108.2
594D26.4Very low25.6Very low84 Ų84147 Ų14745%0.44976%0.755SS.*  cis-159.4155.1-6.3-159.343.2000109.2
595R25.6Very low25.7Very low214 Ų214145.2 Ų145.281%0.80875%0.75SS**  trans65.3144162.3-73.2165.3162163.2-8117.2
596A26Very low25.7Very low83 Ų83151 Ų15169%0.68676%0.758SS**  cis78.8142.54100000113
597E25.8Very low25.6Very low184 Ų184150.8 Ų150.886%0.8675%0.748SS**  cis-152.7-17810.3-145.4158.7-154.600113.4
598S25Very low25.6Very low116 Ų116149.5 Ų149.581%0.81175%0.747SS**  trans-62.8162.1-178.557.20000115.7
599G26.1Very low25.6Very low85 Ų85150.5 Ų150.588%0.87675%0.751SS**  trans-175.790.6170.900000113.8
600A26.3Very low25.6Very low99 Ų99146.9 Ų146.982%0.81874%0.74SS**  trans-116.7157.2-175.900000114.1
601N26.5Very low25.7Very low146 Ų146151.6 Ų151.678%0.78174%0.743SS**  trans96152.3141.7-151.4-11.2000119.3
602K26.8Very low25.6Very low157 Ų157146.7 Ų146.768%0.68373%0.731SS**  trans94.696.6157.9-64.3178-177.4164.90121.9
603R25.7Very low25.6Very low210 Ų210145.8 Ų145.879%0.79273%0.727SS**  77126.4110.7-76.1177.9174.4-176-1.8122
604K25.8Very low25.5Very low174 Ų174142.7 Ų142.776%0.75772%0.721SS**  103.4127.5119.8-93-165.1171.4-1680121.9
605T24.9Very low25.3Very low110 Ų110147.6 Ų147.668%0.67573%0.733SS**  trans78.3115.9134.250.10000124
606R25.5Very low25.1Very low210 Ų210146 Ų14679%0.79273%0.727SS**  106.4129.2115.3-85.9-172.1118146.27.1121.6
607D25.9Very low24.9Very low105 Ų105150.3 Ų150.356%0.56173%0.726SS**  trans71.2117.3133-60.31000122.4
608N25.1Very low24.8Very low128 Ų128146.7 Ų146.768%0.68471%0.709SS**  119.6130.2112.5-98.9-32.1000120
609R25.1Very low24.7Very low214 Ų214148.7 Ų148.781%0.80871%0.706SS**  trans70.5152.3142.9-68.7-177.3172.5-174.5-4.9118.3
610T24.9Very low24.6Very low99 Ų99148.5 Ų148.561%0.60769%0.691SS**  cis-167.4146.2-9.623.20000109.7
611E25.8Very low24.5Very low174 Ų174149.3 Ų149.381%0.81369%0.685SS**  trans60.3163.3140.7-69.4-167-140.400120.2
612S23.5Very low24.3Very low74 Ų74145.4 Ų145.452%0.51767%0.673SS.*  cis-165.4142.5-14.5-107.10000109.6
613R24.6Very low24.1Very low205 Ų205139.8 Ų139.877%0.77466%0.66SS**  trans64.1169.6145.3-60.7162.483155-1.4115.6
614E23.7Very low24.1Very low126 Ų126136 Ų13659%0.58965%0.646SS**  cis-148.6137.8-4.8-134.9155.9-155.300112.6
615R22.6Very low24Very low186 Ų186134 Ų13470%0.70263%0.633SS**  trans42130131.4-71.5-173.1159-175.8-7.7125.2
616W21.4Very low23.8Very low180 Ų180135.3 Ų135.368%0.68263%0.632SS**  94.8128.4117.5-80.425.1000122.8
617R23Very low23.8Very low174 Ų174135.9 Ų135.966%0.65763%0.634SS**  trans70.2152.8136.3-71.6-169.7156.3-137.2-13.7118.8
618E23.7Very low23.6Very low109 Ų109136 Ų13651%0.50964%0.643SS.*  cis-152.5174.5-5.4-129.4167.5169.400113.3
619E22.6Very low23.6Very low158 Ų158135.2 Ų135.274%0.73865%0.648SS**  trans2.7158.1145.3-69.8178.515100121.4
620S23.9Very low23.6Very low81 Ų81132.1 Ų132.157%0.56665%0.652SS**  cis177.9173.9-12.9-91.80000109.6
621T23.1Very low23.7Very low115 Ų115135.3 Ų135.371%0.70666%0.66SS**  trans77157.4156.576.50000118.4
622A23.9Very low23.6Very low64 Ų64135.8 Ų135.853%0.52966%0.663SS.*  cis-168.7135.1-34.900000111.5D170D170-A622 HydrophobicContact CB-CB 4.41Å
623G22.5Very low23.8Very low39 Ų39138.5 Ų138.540%0.40267%0.671SS.*  trans103.1140.7136.200000122.2H168 D169H168-G623 VanDerWaalsContact C-CA 3.46Å; H168-G623 WeakPolarHBondContact O-CA 3.48Å; D169-G623 VanDerWaalsContact O-CA 3.24Å; D169-G623 WeakPolarHBondContact O-CA 3.28Å; D169-G623 PolarHBondContact O-N 3.1Å
624R24Very low23.9Very low131 Ų131138 Ų13849%0.49468%0.677SS.*  101.1106.4121.2-147.7-167.2-145.6-130.36.2120.7S167 H168S167-R624 WeakPolarHBondContact O-CA 3.12Å; S167-R624 WeakPolarHBondContact O-CG 3.47Å; H168-R624 PolarHBondContact CD2-NE 2.92Å; H168-R624 VanDerWaalsContact CD2-NE 3.34Å; H168-R624 PolarHBondContact CD2-NH2 2.9Å
625R23.5Very low24Very low131 Ų131136 Ų13649%0.49468%0.682SS.*  trans66.4168.8146.2-76.6169.4-175.2-137.48.8117.2S167S167-R625 WeakPolarHBondContact O-CG 3.21Å
626E22.8Very low24.1Very low138 Ų138136.5 Ų136.565%0.64569%0.69SS**  cis-142.1-167.7-5.1-138.1150.7-147.100113.3
627R23.6Very low24.3Very low222 Ų222137.3 Ų137.384%0.83870%0.698SS**  trans-81.6151-169.9-48.9145.9169.9167.2-7.4114.6
628S23.3Very low24.5Very low108 Ų108137.3 Ų137.376%0.75571%0.71SS**  trans177.8125.4132.550.90000109.4
629S24Very low24.6Very low111 Ų111137.1 Ų137.178%0.77672%0.721SS**  cis8198.644.977.60000115.4
630V26.3Very low24.7Very low149 Ų149135 Ų13590%0.90372%0.724SS**  trans-143.1142.6155.2179.30000107.7
631E25Very low24.9Very low166 Ų166135.9 Ų135.978%0.77673%0.73SS**  trans-108.9152.6175.2-60.2176.4103.300110.7
632E25.5Very low25.2Very low185 Ų185136.2 Ų136.286%0.86474%0.737SS**  trans174.5110.8132.7-96.7174.5178.200108.3
633N26.4Very low25.3Very low131 Ų131137.6 Ų137.670%0.70175%0.748SS**  57.1100.475.2-76-45.6000115.1
634H26.4Very low25.4Very low194 Ų194144 Ų14490%0.89877%0.768SS**  -157.5143127.1-114.9-73.3000112.2
635A26Very low25.6Very low84 Ų84144 Ų14469%0.69478%0.776SS**  trans-142.8143.5-176.500000113.4
636K25.5Very low25.7Very low197 Ų197145.1 Ų145.186%0.85779%0.788SS**  trans177.6126.9156.6-93.3143.6-171.3178.60106.2
637K26.5Very low25.8Very low196 Ų196148.5 Ų148.585%0.85280%0.796SS**  56.1110.655.9-72.3-167.5175.4-177.40114.5
638L25.6Very low26Very low175 Ų175142.8 Ų142.892%0.91679%0.79SS**  -169.9179.6114.1-101.5167.7000112.2
639S25.4Very low26Very low104 Ų104149 Ų14973%0.72780%0.797SS**  trans-151.1138.2-161.655.90000113.6
640S26.7Very low26.1Very low115 Ų115153.2 Ų153.280%0.80480%0.801SS**  trans172.6167.816547.50000111.3
641S27.3Very low26.9Very low99 Ų99151.7 Ų151.769%0.69279%0.794SS**  174.4141.6-54.752.50000110.1
642S28.2Very low26.7Very low122 Ų122153.1 Ų153.185%0.85380%0.801SS**  trans71.4149163.9-55.60000117.7
643A26.6Very low26.8Very low93 Ų93155.1 Ų155.177%0.76980%0.802SS**  cis-145-130.7-17.200000110.4
644E25.8Very low26.7Very low173 Ų173154.8 Ų154.881%0.80881%0.81SS**  cis-151-171.112.6-87.4-156.679.200112.8
645L26.5Very low26.6Very low130 Ų130149 Ų14968%0.68180%0.803SS**  trans-43.2134.9178.8-67.8149.4000116.9
646E26.1Very low26.6Very low156 Ų156156.3 Ų156.373%0.72981%0.812SS**  7212172.3-73.3-161.1155.700117
647Y25.4Very low26.6Very low209 Ų209153.2 Ų153.282%0.8281%0.805SS**  -167.4167.1106.6-124.4-102.1000113
648S26.6Very low26.5Very low102 Ų102155.4 Ų155.471%0.71381%0.808SS**  trans-130.4148.6-178-71.60000113.1
649R25.3Very low26.5Very low239 Ų239153.3 Ų153.390%0.90280%0.797SS**  trans175.7144.6133.5-96.4156.6-167.9-156.93.3115.5
650K25Very low26.4Very low199 Ų199158.9 Ų158.987%0.86580%0.802SS**  trans-111.4-174.5147.7-67.9-174.5176.1-178.30106.7
651P43.1Very low26.4Very low116 Ų116159.2 Ų159.275%0.75380%0.795SS**  cis-129.5-172.8-9.143.1-27.9000113.5
652E21.6Very low26.2Very low196 Ų196160.3 Ų160.392%0.91679%0.793SS**  trans-165.2-173.2132.7-117.2174.9-147.300113.6
653Y26.4Very low26.1Very low227 Ų227159.1 Ų159.189%0.8978%0.784SS**  trans-140.9128.6-150.4-137.7-89.1000114.4
654S25.9Very low26.2Very low125 Ų125159.8 Ų159.887%0.87478%0.783SS**  trans169.4164.9160.243.60000111.2
655G23.5Very low26.4Very low72 Ų72156.7 Ų156.774%0.74278%0.776SS**  cis164.895.1-12.500000116.6
656R26.2Very low26.4Very low238 Ų238161.5 Ų161.590%0.89879%0.785SS**  trans72.7118.8159.9-68.7-178.8168.3-179.4-3.3122.9
657N25.8Very low26.4Very low132 Ų132158.5 Ų158.571%0.70678%0.782SS**  48.3122.3127.6-59.416.6000124.1
658R23.7Very low26.6Very low241 Ų241154.1 Ų154.191%0.90978%0.781SS**  -172131.7121-94.8154.2-175.1-167.42107.3
659I25.3Very low26.6Very low132 Ų132154.8 Ų154.868%0.67779%0.785SS**  cis82.894.142.4-60.3170.7000114
660R24Very low26.6Very low220 Ų220151.4 Ų151.483%0.8379%0.785SS**  trans172.7129.2133.3-100.2164.6179.1-167.2-3.5110.7
661N25.7Very low26.6Very low123 Ų123145.3 Ų145.366%0.65878%0.778SS**  71.7147.889.4-75.359.1000113.3
662D23.9Very low25.7Very low122 Ų122143.8 Ų143.865%0.65278%0.784SS**  cis-148135.71.7-108.8-54.2000106.5
663S26.1Very low25.8Very low96 Ų96145 Ų14567%0.67178%0.78SS**  79.8175.17492.50000115.8
664S28.6Very low25.9Very low108 Ų108145.7 Ų145.776%0.75578%0.783SS**  trans81.7138.1-17381.30000117.5
665T29.5Very low25.9Very low107 Ų107147.2 Ų147.266%0.65678%0.776SS**  cis-162.4137.8-13.413.80000114.2
666R28.1Very low26Very low231 Ų231152.3 Ų152.387%0.87278%0.78SS**  trans65.3156.2134.4-72.7176.7172.4168.5-3.5122.1
667S25.6Very low25.9Very low94 Ų94146.3 Ų146.366%0.65777%0.77SS**  cis-178.4157.9-20.752.90000114.2
668S28.4Very low25.9Very low116 Ų116146.7 Ų146.781%0.81177%0.768SS**  trans70.3158.5151.2-81.70000118.3
669C27.3Very low25.9Very low117 Ų117145.8 Ų145.879%0.79177%0.765SS**  cis-169.7169.9-6.844.90000109.7
670D26.1Very low25.9Very low168 Ų168143.2 Ų143.290%0.89877%0.771SS**  cis-177.2164.4-30.2-177.230.7000108.5
671G24.1Very low26Very low70 Ų70144.5 Ų144.572%0.72278%0.775SS**  trans117141.8159.300000118.7
672G23.9Very low27.1Very low85 Ų85144.1 Ų144.188%0.87678%0.78SS**  trans147.4105.5167.200000115.8
673R24.7Very low27.1Very low221 Ų221144 Ų14483%0.83479%0.788SS**  trans-98.6159.2166.4-77.6-176.7174.4-175.3-3.3110.7
674Y26.7Very low27.3Very low241 Ų241146.8 Ų146.895%0.94580%0.796SS**  -155.5156.8120.9-106-75000110.3
675E26.5Very low28.2Very low158 Ų158147 Ų14774%0.73880%0.795SS**  trans-114162.8175.9-66-174.8160.300110.4
676E25.2Very low28Very low178 Ų178149 Ų14983%0.83280%0.796SS**  trans178.9121.1134.3-92.8-179.417300106.1
677T24.7Very low27.9Very low112 Ų112145.3 Ų145.369%0.68779%0.789SS**  55.6137.180.957.60000114.8
678E25.6Very low27.8Very low140 Ų140145.6 Ų145.665%0.65479%0.791SS**  cis-153.8176.313.3-132.4-172.6-177.600116.5
679R24.9Very low27.7Very low222 Ų222149.3 Ų149.384%0.83879%0.793SS**  trans-29149.9177.5-60.7159-138.2-139.46.9119.9
680G24.7Very low27.8Very low78 Ų78151.3 Ų151.380%0.80479%0.788SS**  trans173.8119.7153.600000116.7
681R25.9Very low27.9Very low247 Ų247149.4 Ų149.493%0.93279%0.785SS**  trans-144.1176168.6-75.5-169.4174.3-1641.3107.9
682P48.8Very low28Very low115 Ų115153 Ų15375%0.74778%0.783SS**  -134.2165.2-59.539.9-24.8000112.6
683S24.4Very low28.1Very low119 Ų119154.2 Ų154.283%0.83278%0.778SS**  trans-169.1130.9159.845.70000115.5
684D29.8Very low28.1Very low155 Ų155150.1 Ų150.183%0.82978%0.781SS**  trans-86.5-179.6148.2-56.1-73.7000108.9
685P46.4Very low28Very low114 Ų114141.9 Ų141.974%0.7477%0.77SS**  cis-134.4-158.3-1.930.6-5.1000113.9
686E25.7Very low28Very low147 Ų147141 Ų14169%0.68777%0.771SS**  trans110.8105.9148-61.6-115.3102.400121.3
687Q25.8Very low28.2Very low155 Ų155141 Ų14172%0.72477%0.771SS**  60.9142.2125.7-59.8-160.347.600124.9
688S24.6Very low28.4Very low99 Ų99143.1 Ų143.169%0.69278%0.778SS**  trans79.2151.7154.988.60000116.8
689K26.9Very low28.3Very low195 Ų195140.2 Ų140.285%0.84879%0.785SS**  cis-152.6163.14-132.8151.2-166.6168.50110.1
690K27.5Very low28.4Very low158 Ų158139.5 Ų139.569%0.68779%0.791SS**  trans-66.9163.3164-65.5-179.1179.9173.70110.8E692K690-E692 HydrophobicContact CD-CG 3.95Å; K690-E692 IonicContact NZ-OE1 2.8Å; K690-E692 PolarHBondContact NZ-OE1 2.93Å
691P29.6Very low28.4Very low128 Ų128139.3 Ų139.383%0.83179%0.789SS**  -109.2158.6127.634.4-32.7000111.6
692E24.6Very low28.4Very low147 Ų147135.2 Ų135.269%0.68779%0.786SS**  trans-113.6145.3-178.4-62.6-169.8139.600112.1K690K690-E692 HydrophobicContact CD-CG 3.95Å; K690-E692 IonicContact NZ-OE1 2.8Å; K690-E692 PolarHBondContact NZ-OE1 2.93Å
693S27.9Very low27.5Very low110 Ų110134 Ų13477%0.76979%0.794SS**  trans38.1118.8136.2-168.90000120.4
694C23.3Very low27.6Very low134 Ų134139.6 Ų139.691%0.90580%0.797SS**  trans-121.9130.9132.9-74.70000108.5
695G25.2Very low27.6Very low69 Ų69137.4 Ų137.471%0.71179%0.793SS**  trans-94.5-155.3165.900000110.7
696D27.5Very low26.6Very low139 Ų139141 Ų14174%0.74380%0.798SS**  cis-162.3155.2-6-164.5-2.1000108.6
697Q29.2Very low26.9Very low178 Ų178142 Ų14283%0.83280%0.799SS**  trans161.2106.1143.4-90.4160.8101.100114.2
698N27.1Very low27.2Very low157 Ų157141.5 Ų141.584%0.8480%0.802SS**  trans35.4114.9135.9-71.2-33.2000121.4
699G24.6Very low27.7Very low78 Ų78144.4 Ų144.480%0.80481%0.808SS**  trans-147.8123.1144.900000109.8
700Q27.8Very low28.3Very low208 Ų208137.7 Ų137.797%0.97279%0.785SS**  trans-85.7132178.3-70.4178.7-36.900110.8
701G23.4Very low28.9Very low74 Ų74134.5 Ų134.576%0.76378%0.783SS**  trans178.4116174.100000113.9
702D25.5Very low29.6Very low161 Ų161128.9 Ų128.986%0.86175%0.746SS**  trans28.6113.9167.4-68.9-16.3000121.2R704D702-R704 PolarHBondContact O-N 3.28Å
703G31.2Very low30.6Very low88 Ų88122.7 Ų122.791%0.90772%0.718SS**  trans-72.887.9170.400000113.6S705G703-S705 PolarHBondContact O-N 2.98Å
704R26.3Very low31.4Very low238 Ų238122.5 Ų122.590%0.89871%0.708SS**  trans-71.1120.7157.6-81-174.9170.9-179-2.1109.7D702 K706D702-R704 PolarHBondContact O-N 3.28Å; R704-K706 PolarHBondContact O-N 3.4Å
705S28.5Very low32.5Very low108 Ų108119.3 Ų119.376%0.75568%0.682SS**  trans-61.3126.5177.650.20000110.9G703 K707G703-S705 PolarHBondContact O-N 2.98Å; S705-K707 VanDerWaalsContact C-N 3.34Å; S705-K707 PolarHBondContact O-N 2.93Å
706K26Very low33.6Very low191 Ų191116.4 Ų116.483%0.8365%0.65SS**  trans-66.293.7169-69.5-178.4178.8178.90108.3R704 N708R704-K706 PolarHBondContact O-N 3.4Å; K706-N708 PolarHBondContact O-N 3.48Å
707K33.4Very low34.6Very low167 Ų167111.8 Ų111.873%0.72662%0.623SS**  trans-58108163.9-80.2-165.2174.4-168.90106.6E379 S705E379-K707 IonicContact OE1-NZ 3.17Å; E379-K707 PolarHBondContact OE1-NZ 2.92Å; S705-K707 VanDerWaalsContact C-N 3.34Å; S705-K707 PolarHBondContact O-N 2.93Å
708N32.1Very low35.6Very low145 Ų145107.9 Ų107.978%0.77561%0.608SS**  trans-58.8147.1179.9-71.5-44.2000110.5K706K706-N708 PolarHBondContact O-N 3.48Å
709L34.7Very low36.7Very low159 Ų159103.2 Ų103.283%0.83258%0.581SS**  trans-48122171.1-76.7157.7000109.5S711L709-S711 PolarHBondContact O-N 3.49Å
710P38.7Very low37.9Very low54 Ų54101.3 Ų101.335%0.35155%0.552SS.*  trans-69.2107.8-178.426.7-32.9000109.3S712 L713P710-S712 PolarHBondContact O-N 2.94Å; P710-L713 HydrophobicContact CG-CD1 4.12Å; P710-L713 HydrophobicContact CG-CG 4.45Å; P710-L713 PolarHBondContact O-N 3.25Å
711S40.6Very low38.5Very low92 Ų9293.6 Ų93.664%0.64352%0.524SS*.THydrogen-bonded Turntrans-54.5-21.7178.349.30000113.2L709 L713 L714 D715L709-S711 PolarHBondContact O-N 3.49Å; S711-L713 PolarHBondContact O-N 3.41Å; S711-L714 WeakPolarHBondContact O-CB 3.31Å; S711-L714 PolarHBondContact O-N 2.87Å; S711-D715 PolarHBondContact O-N 3.41Å
712S44.2Very low39.4Very low10 Ų1095.9 Ų95.97%0.0752%0.515CS..Hα-helixtrans-60.9-22.2174.561.80000115.1Y372 P710 L714 D715Y372-S712 WeakPolarHBondContact CE1-OG 3.27Å; Y372-S712 WeakPolarHBondContact OH-CB 3.38Å; Y372-S712 PolarHBondContact OH-O 2.66Å; Y372-S712 PolarHBondContact OH-OG 3.04Å; P710-S712 PolarHBondContact O-N 2.94Å; S712-L714 VanDerWaalsContact C-N 3.33Å; S712-D715 WeakPolarHBondContact O-CB 3.37Å; S712-D715 PolarHBondContact O-N 3.34Å
713L45.1Very low40.1Very low16 Ų1694.2 Ų94.28%0.08450%0.5CS..Hα-helixtrans-70.3-33.1172.4-74.8173.5000111.2F310 A341 Y372 P710 S711 D715 I716 F717F310-L713 HydrophobicContact CD1-CD1 4.26Å; F310-L713 HydrophobicContact CE1-CD1 3.46Å; F310-L713 VanDerWaalsContact CE1-CD1 3.46Å; F310-L713 HydrophobicContact CZ-CD1 3.95Å; A341-L713 HydrophobicContact CB-CD2 4.3Å; Y372-L713 PolarHBondContact OH-N 3.27Å; P710-L713 HydrophobicContact CG-CD1 4.12Å; P710-L713 HydrophobicContact CG-CG 4.45Å; P710-L713 PolarHBondContact O-N 3.25Å; S711-L713 PolarHBondContact O-N 3.41Å; L713-D715 VanDerWaalsContact C-N 3.3Å; L713-D715 PolarHBondContact O-N 3.36Å; L713-I716 HydrophobicContact CD2-CD1 3.81Å; L713-I716 WeakPolarHBondContact O-CB 3.03Å; L713-I716 PolarHBondContact O-N 3.02Å; L713-F717 HydrophobicContact CB-CE2 4.33Å; L713-F717 HydrophobicContact CB-CZ 4.21Å; L713-F717 VanDerWaalsContact O-CD2 3.31Å; L713-F717 WeakPolarHBondContact O-CD2 3.36Å; L713-F717 VanDerWaalsContact O-CE2 3.23Å; L713-F717 WeakPolarHBondContact O-CE2 3.45Å; L713-F717 WeakPolarHBondContact O-CG 3.43Å; L713-F717 WeakPolarHBondContact O-CZ 3.32Å; L713-F717 PolarHBondContact O-N 2.91Å
714L45Very low40.6Very low106 Ų10694.8 Ų94.856%0.55548%0.479SS*.Hα-helixtrans-69.5-28.5173.6-76.173.1000111.9S711 S712 I716 F717 N718S711-L714 WeakPolarHBondContact O-CB 3.31Å; S711-L714 PolarHBondContact O-N 2.87Å; S712-L714 VanDerWaalsContact C-N 3.33Å; L714-I716 VanDerWaalsContact C-N 3.27Å; L714-I716 PolarHBondContact O-N 3.25Å; L714-F717 HydrophobicContact CG-CD2 4.36Å; L714-F717 PolarHBondContact O-N 3.5Å; L714-N718 PolarHBondContact O-N 2.83Å; L714-N718 PolarHBondContact O-ND2 2.95Å
715D46.6Very low41.6Very low67 Ų6791.3 Ų91.336%0.35847%0.47SS..Hα-helixtrans-61.8-34.4172.7-66.2-31.7000112.2K371 S711 S712 L713 Q719K371-D715 IonicContact NZ-OD2 3.34Å; S711-D715 PolarHBondContact O-N 3.41Å; S712-D715 WeakPolarHBondContact O-CB 3.37Å; S712-D715 PolarHBondContact O-N 3.34Å; L713-D715 VanDerWaalsContact C-N 3.3Å; L713-D715 PolarHBondContact O-N 3.36Å; D715-Q719 VanDerWaalsContact O-CG 3.26Å; D715-Q719 WeakPolarHBondContact O-CG 3.28Å; D715-Q719 PolarHBondContact O-N 3.26Å; D715-Q719 VanDerWaalsContact O-N 3.09Å; D715-Q719 PolarHBondContact O-NE2 2.92Å; D715-Q719 VanDerWaalsContact O-NE2 3.12Å
716I48.8Very low42.2Very low8 Ų892.1 Ų92.14%0.04146%0.462CS..Hα-helixtrans-64.5-46.7174.1-45.3179.3000109.6V337 N368 Y372 L713 L714 N718 Q719 I720V337-I716 HydrophobicContact CG1-CD1 4.33Å; N368-I716 HydrophobicContact CB-CG1 4.44Å; Y372-I716 HydrophobicContact CE2-CD1 3.86Å; Y372-I716 HydrophobicContact CE2-CG1 4.48Å; L713-I716 HydrophobicContact CD2-CD1 3.81Å; L713-I716 WeakPolarHBondContact O-CB 3.03Å; L713-I716 PolarHBondContact O-N 3.02Å; L714-I716 VanDerWaalsContact C-N 3.27Å; L714-I716 PolarHBondContact O-N 3.25Å; I716-N718 VanDerWaalsContact C-N 3.29Å; I716-N718 PolarHBondContact O-N 3.49Å; I716-Q719 WeakPolarHBondContact O-CB 3.43Å; I716-Q719 PolarHBondContact O-N 3.13Å; I716-I720 HydrophobicContact CG2-CD1 3.84Å; I716-I720 HydrophobicContact CG2-CG1 4.28Å; I716-I720 WeakPolarHBondContact O-CG1 3.33Å; I716-I720 PolarHBondContact O-N 3.26Å
717F47.3Very low43.1Very low42 Ų4289.7 Ų89.718%0.18445%0.452CS..Hα-helixtrans-65.9-34.1-176.8-46.9-33.4000112V307 K311 L713 L714 A721V307-F717 HydrophobicContact CB-CE1 4.1Å; V307-F717 HydrophobicContact CB-CZ 4.45Å; V307-F717 HydrophobicContact CG1-CD1 3.79Å; V307-F717 HydrophobicContact CG1-CE1 3.27Å; V307-F717 HydrophobicContact CG1-CE2 4.21Å; V307-F717 HydrophobicContact CG1-CG 4.49Å; V307-F717 HydrophobicContact CG1-CZ 3.52Å; V307-F717 HydrophobicContact CG2-CE1 3.63Å; V307-F717 HydrophobicContact CG2-CZ 4.21Å; K311-F717 HydrophobicContact CD-CE2 4.41Å; K311-F717 VanDerWaalsContact CE-CD2 3.45Å; K311-F717 HydrophobicContact CG-CE2 4.46Å; L713-F717 HydrophobicContact CB-CE2 4.33Å; L713-F717 HydrophobicContact CB-CZ 4.21Å; L713-F717 VanDerWaalsContact O-CD2 3.31Å; L713-F717 WeakPolarHBondContact O-CD2 3.36Å; L713-F717 VanDerWaalsContact O-CE2 3.23Å; L713-F717 WeakPolarHBondContact O-CE2 3.45Å; L713-F717 WeakPolarHBondContact O-CG 3.43Å; L713-F717 WeakPolarHBondContact O-CZ 3.32Å; L713-F717 PolarHBondContact O-N 2.91Å; L714-F717 HydrophobicContact CG-CD2 4.36Å; L714-F717 PolarHBondContact O-N 3.5Å; F717-A721 VanDerWaalsContact O-CB 3.31Å; F717-A721 WeakPolarHBondContact O-CB 3.25Å; F717-A721 PolarHBondContact O-N 3.11Å; F717-A721 VanDerWaalsContact O-N 3.08Å
718N50.5Low43.2Very low96 Ų9683.8 Ų83.851%0.51344%0.439SS..Hα-helixtrans-65.3-39.7170.2-74.4-35.3000112.4L714 I716 Q722L714-N718 PolarHBondContact O-N 2.83Å; L714-N718 PolarHBondContact O-ND2 2.95Å; I716-N718 VanDerWaalsContact C-N 3.29Å; I716-N718 PolarHBondContact O-N 3.49Å; N718-Q722 WeakPolarHBondContact O-CB 3.5Å; N718-Q722 VanDerWaalsContact O-CG 3.26Å; N718-Q722 WeakPolarHBondContact O-CG 3.45Å; N718-Q722 PolarHBondContact O-N 3.36Å
719Q51.1Low43.3Very low59 Ų5979.2 Ų79.228%0.27643%0.425SS..Hα-helixtrans-69.6-43.2178.2-73165.150.300112.2N368 D715 I716 A721 Q722 F723N368-Q719 PolarHBondContact ND2-OE1 3.37Å; D715-Q719 VanDerWaalsContact O-CG 3.26Å; D715-Q719 WeakPolarHBondContact O-CG 3.28Å; D715-Q719 PolarHBondContact O-N 3.26Å; D715-Q719 VanDerWaalsContact O-N 3.09Å; D715-Q719 PolarHBondContact O-NE2 2.92Å; D715-Q719 VanDerWaalsContact O-NE2 3.12Å; I716-Q719 WeakPolarHBondContact O-CB 3.43Å; I716-Q719 PolarHBondContact O-N 3.13Å; Q719-A721 PolarHBondContact O-N 2.71Å; Q719-Q722 PolarHBondContact O-N 3.13Å; Q719-F723 WeakPolarHBondContact O-CB 3.45Å; Q719-F723 PolarHBondContact O-N 3.19Å
720I48.2Very low43.5Very low38 Ų3879.4 Ų79.420%0.19542%0.42CS..Hα-helixtrans-59.1-47.4173.8-67.2169.9000110.3I716 Q722 F723 E724I716-I720 HydrophobicContact CG2-CD1 3.84Å; I716-I720 HydrophobicContact CG2-CG1 4.28Å; I716-I720 WeakPolarHBondContact O-CG1 3.33Å; I716-I720 PolarHBondContact O-N 3.26Å; I720-Q722 VanDerWaalsContact C-N 3.28Å; I720-Q722 PolarHBondContact O-N 3.4Å; I720-F723 PolarHBondContact O-N 3.45Å; I720-E724 PolarHBondContact O-N 2.91Å
721A40.9Very low43.5Very low46 Ų4681 Ų8138%0.3844%0.437SS..Hα-helixtrans-67.2-24.617800000113.9F717 Q719 K725F717-A721 VanDerWaalsContact O-CB 3.31Å; F717-A721 WeakPolarHBondContact O-CB 3.25Å; F717-A721 PolarHBondContact O-N 3.11Å; F717-A721 VanDerWaalsContact O-N 3.08Å; Q719-A721 PolarHBondContact O-N 2.71Å; A721-K725 WeakPolarHBondContact O-CG 3.29Å; A721-K725 PolarHBondContact O-N 3.26Å
722Q41.8Very low43.5Very low122 Ų12285.4 Ų85.457%0.5744%0.444SS*.Hα-helixtrans-76.7-41.6170.9-77.7172.3-9.400111.5N718 Q719 I720 E724 K725 E726N718-Q722 WeakPolarHBondContact O-CB 3.5Å; N718-Q722 VanDerWaalsContact O-CG 3.26Å; N718-Q722 WeakPolarHBondContact O-CG 3.45Å; N718-Q722 PolarHBondContact O-N 3.36Å; Q719-Q722 PolarHBondContact O-N 3.13Å; I720-Q722 VanDerWaalsContact C-N 3.28Å; I720-Q722 PolarHBondContact O-N 3.4Å; Q722-E724 PolarHBondContact O-N 3.26Å; Q722-K725 WeakPolarHBondContact O-CB 3.5Å; Q722-K725 PolarHBondContact O-N 3.44Å; Q722-K725 VanDerWaalsContact O-N 3.1Å; Q722-E726 PolarHBondContact O-N 2.59Å
723F41.2Very low43Very low126 Ų12697.7 Ų97.755%0.55350%0.497SS*.Hα-helixtrans-63.9-38.7177.4-169.3-108.4000112.4Q719 I720 K725 E726 K727Q719-F723 WeakPolarHBondContact O-CB 3.45Å; Q719-F723 PolarHBondContact O-N 3.19Å; I720-F723 PolarHBondContact O-N 3.45Å; F723-K725 VanDerWaalsContact C-N 3.34Å; F723-K725 PolarHBondContact O-N 2.98Å; F723-E726 PolarHBondContact O-N 2.94Å; F723-K727 HydrophobicContact CE1-CD 4.13Å; F723-K727 HydrophobicContact CZ-CD 4.48Å; F723-K727 PolarHBondContact O-N 2.73Å
724E42.4Very low42.9Very low100 Ų100101.8 Ų101.847%0.46752%0.517SS..Hα-helixtrans-59.7-41.7170.2-74.7-173.1157.500111.9I720 Q722 G728I720-E724 PolarHBondContact O-N 2.91Å; Q722-E724 PolarHBondContact O-N 3.26Å; E724-G728 PolarHBondContact O-N 3.05Å
725K46.7Very low42.8Very low165 Ų165101.6 Ų101.672%0.71752%0.515SS*.Hα-helixtrans-66-39.7175.6-76.5177.1178.1178.50112.7A721 Q722 F723 G729A721-K725 WeakPolarHBondContact O-CG 3.29Å; A721-K725 PolarHBondContact O-N 3.26Å; Q722-K725 WeakPolarHBondContact O-CB 3.5Å; Q722-K725 PolarHBondContact O-N 3.44Å; Q722-K725 VanDerWaalsContact O-N 3.1Å; F723-K725 VanDerWaalsContact C-N 3.34Å; F723-K725 PolarHBondContact O-N 2.98Å; K725-G729 PolarHBondContact O-N 2.67Å
726E40.8Very low42.6Very low126 Ų126103.5 Ų103.559%0.58952%0.524SS*.Hα-helixtrans-70.3-35.6178.5-71.4-164.7171.800113.3Q722 F723 K730Q722-E726 PolarHBondContact O-N 2.59Å; F723-E726 PolarHBondContact O-N 2.94Å; E726-K730 WeakPolarHBondContact O-CG 3.28Å; E726-K730 PolarHBondContact O-N 3.46Å
727K44.2Very low42.3Very low139 Ų139109.1 Ų109.160%0.60455%0.553SS**Hα-helixtrans-70.2-46.7170-82.1-168.8172.6-1750111.7F723 G729 K730 A731F723-K727 HydrophobicContact CE1-CD 4.13Å; F723-K727 HydrophobicContact CZ-CD 4.48Å; F723-K727 PolarHBondContact O-N 2.73Å; K727-G729 VanDerWaalsContact C-N 3.29Å; K727-G729 PolarHBondContact O-N 2.87Å; K727-K730 PolarHBondContact O-N 3.02Å; K727-K730 VanDerWaalsContact O-N 3.11Å; K727-A731 PolarHBondContact O-N 2.86Å
728G36.7Very low41.9Very low44 Ų44113.3 Ų113.345%0.45458%0.576SS.*Hα-helixtrans-60.9-35178.600000113.6E724 A731E724-G728 PolarHBondContact O-N 3.05Å; G728-A731 PolarHBondContact O-N 3.49Å
729G34.4Very low41.4Very low48 Ų48114.5 Ų114.550%0.49558%0.58SS.*Hα-helixtrans-71-25.6175.300000114.5K725 K727K725-G729 PolarHBondContact O-N 2.67Å; K727-G729 VanDerWaalsContact C-N 3.29Å; K727-G729 PolarHBondContact O-N 2.87Å
730K38.2Very low40.7Very low164 Ų164118.4 Ų118.471%0.71360%0.602SS**Hα-helixtrans-82.7-15.8176.9-73.6171.5-177.7168.50113.5E726 K727 K732E726-K730 WeakPolarHBondContact O-CG 3.28Å; E726-K730 PolarHBondContact O-N 3.46Å; K727-K730 PolarHBondContact O-N 3.02Å; K727-K730 VanDerWaalsContact O-N 3.11Å; K730-K732 VanDerWaalsContact C-N 3.3Å
731A38.1Very low40.1Very low86 Ų86124.6 Ų124.671%0.71163%0.633SS**THydrogen-bonded Turntrans-87.27.8173.200000113.8K727 G728K727-A731 PolarHBondContact O-N 2.86Å; G728-A731 PolarHBondContact O-N 3.49Å
732K41.4Very low40Very low185 Ų185131.2 Ų131.280%0.80465%0.654SS**  trans-138.660.4178.5-71.3-167.5175.6-174.90112.2K730K730-K732 VanDerWaalsContact C-N 3.3Å
733K34.3Very low39.9Very low269 Ų269132 Ų132100%1.1766%0.662SS**  trans-156.80165.1-117.8175.7-175.9-1800111.7

Retrieved 733 of 733 residues in 859.5 ms (Link to these results)

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