A0A077YX39_TRITR Loading...

26S proteasome non-ATPase regulatory subunit 10

AlphaFold DB , UniProt , Accession A0A077YX39, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 229 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
1M46.5Very low80.3Confident230 Ų23075.8 Ų75.8100%1.13339%0.39SS*.  0530-164.3-174.3-53.500110
2W59.2Low81.6Confident107 Ų10776.3 Ų76.341%0.40539%0.389SS..  trans-149.916.5169.9-65.4-36.5000111D4 S5 Q8 W42W2-D4 PolarHBondContact O-N 2.95Å; W2-D4 VanDerWaalsContact O-N 3.11Å; W2-S5 WeakPolarHBondContact O-CB 3.22Å; W2-S5 PolarHBondContact O-N 3.2Å; W2-Q8 HydrophobicContact CB-CB 4.05Å; W2-Q8 WeakPolarHBondContact O-CB 3.32Å; W2-W42 HydrophobicContact CH2-CH2 4.38Å
3A56.1Low82.8Confident97 Ų9780.9 Ų80.980%0.80241%0.405SS*.THydrogen-bonded Turntrans-57.4123.7178.100000107.7
4D65.4Low83.8Confident150 Ų15084.1 Ų84.180%0.80241%0.41SS*.THydrogen-bonded Turntrans755.8-172.4-60.9-25.1000119.1W2W2-D4 PolarHBondContact O-N 2.95Å; W2-D4 VanDerWaalsContact O-N 3.11Å
5S87.9Confident84.7Confident33 Ų3380.5 Ų80.523%0.23140%0.395CS..  trans-78.3142171.4-177.70000112.2W2 F7 Q8 D9W2-S5 WeakPolarHBondContact O-CB 3.22Å; W2-S5 PolarHBondContact O-N 3.2Å; S5-F7 PolarHBondContact O-N 3.06Å; S5-F7 VanDerWaalsContact O-N 3.14Å; S5-F7 VanDerWaalsContact OG-CD2 3.23Å; S5-F7 WeakPolarHBondContact OG-CD2 3.37Å; S5-F7 PolarHBondContact OG-N 3.06Å; S5-Q8 WeakPolarHBondContact O-CB 3.49Å; S5-Q8 PolarHBondContact O-N 2.94Å; S5-D9 PolarHBondContact O-N 3.37Å
6I93.9Very high85.5Confident8 Ų883.4 Ų83.44%0.04141%0.412CS..Hα-helixtrans-54.8-30.7171-164.6167.8000112.3D9 I10 V18 I22 L28I6-D9 PolarHBondContact O-N 3Å; I6-I10 HydrophobicContact CG1-CD1 4.35Å; I6-I10 VanDerWaalsContact O-CG1 3.23Å; I6-I10 WeakPolarHBondContact O-CG1 3.33Å; I6-I10 PolarHBondContact O-N 3.13Å; I6-V18 HydrophobicContact CD1-CG1 3.91Å; I6-V18 HydrophobicContact CG1-CG1 3.83Å; I6-V18 HydrophobicContact CG1-CG2 4.37Å; I6-I22 HydrophobicContact CD1-CD1 3.7Å; I6-I22 HydrophobicContact CD1-CG1 3.52Å; I6-L28 HydrophobicContact CD1-CB 3.96Å
7F95.1Very high86.2Confident14 Ų1481.4 Ų81.46%0.06141%0.405CS..Hα-helixtrans-68.9-34177.4-53.4-56.9000112.6S5 I10 Y11 L31 D33 W42S5-F7 PolarHBondContact O-N 3.06Å; S5-F7 VanDerWaalsContact O-N 3.14Å; S5-F7 VanDerWaalsContact OG-CD2 3.23Å; S5-F7 WeakPolarHBondContact OG-CD2 3.37Å; S5-F7 PolarHBondContact OG-N 3.06Å; F7-I10 PolarHBondContact O-N 3.34Å; F7-Y11 WeakPolarHBondContact O-CB 3.36Å; F7-Y11 PolarHBondContact O-N 3.11Å; F7-L31 HydrophobicContact CZ-CB 4.09Å; F7-L31 WeakPolarHBondContact CZ-O 3.37Å; F7-D33 HydrophobicContact CD2-CB 3.99Å; F7-D33 HydrophobicContact CE2-CB 3.9Å; F7-D33 HydrophobicContact CG-CB 4.46Å; F7-D33 HydrophobicContact CZ-CB 4.28Å; F7-W42 AromaticContact CD1-CD1 3.61Å; F7-W42 HydrophobicContact CD1-CG 4.42Å; F7-W42 AromaticContact CD1-NE1 3.84Å
8Q94.1Very high86.8Confident45 Ų4576.8 Ų76.821%0.2138%0.382CS..Hα-helixtrans-65.1-44.3173.4-174.165.927.400110.3W2 S5 I10 Y11 E12W2-Q8 HydrophobicContact CB-CB 4.05Å; W2-Q8 WeakPolarHBondContact O-CB 3.32Å; S5-Q8 WeakPolarHBondContact O-CB 3.49Å; S5-Q8 PolarHBondContact O-N 2.94Å; Q8-I10 VanDerWaalsContact C-N 3.31Å; Q8-I10 PolarHBondContact O-N 3.04Å; Q8-Y11 PolarHBondContact O-N 2.71Å; Q8-E12 HydrophobicContact CG-CG 4.49Å; Q8-E12 PolarHBondContact NE2-OE1 3.35Å; Q8-E12 WeakPolarHBondContact O-CB 3.42Å; Q8-E12 WeakPolarHBondContact O-CG 3.46Å; Q8-E12 PolarHBondContact O-N 3.48Å
9D96Very high87.4Confident11 Ų1175.4 Ų75.46%0.05937%0.373CS..Hα-helixtrans-61.9-39.3177.1-66.4-41.4000111.8S5 I6 E12 K13 R14 V18 K21S5-D9 PolarHBondContact O-N 3.37Å; I6-D9 PolarHBondContact O-N 3Å; D9-E12 CarbonylContact O-C 3.04Å; D9-K13 PolarHBondContact O-N 2.68Å; D9-R14 HydrophobicContact CB-CB 4.16Å; D9-R14 PolarHBondContact O-N 3.28Å; D9-R14 WeakPolarHBondContact OD1-CD 3.04Å; D9-V18 HydrophobicContact CB-CG2 3.48Å; D9-V18 VanDerWaalsContact CB-CG2 3.48Å; D9-K21 WeakPolarHBondContact OD2-CE 3.44Å; D9-K21 IonicContact OD2-NZ 2.68Å; D9-K21 PolarHBondContact OD2-NZ 2.86Å
10I96.7Very high87.9Confident0 Ų077.9 Ų77.90%038%0.384CS..Hα-helixtrans-65.5-47.2175.1-64.3167.6000110.8I6 F7 Q8 E12 K13 V18 A39 W42 L48 L51I6-I10 HydrophobicContact CG1-CD1 4.35Å; I6-I10 VanDerWaalsContact O-CG1 3.23Å; I6-I10 WeakPolarHBondContact O-CG1 3.33Å; I6-I10 PolarHBondContact O-N 3.13Å; F7-I10 PolarHBondContact O-N 3.34Å; Q8-I10 VanDerWaalsContact C-N 3.31Å; Q8-I10 PolarHBondContact O-N 3.04Å; I10-E12 VanDerWaalsContact C-N 3.3Å; I10-E12 PolarHBondContact O-N 3.28Å; I10-K13 WeakPolarHBondContact O-CA 3.17Å; I10-K13 PolarHBondContact O-N 2.92Å; I10-V18 HydrophobicContact CD1-CG1 4.27Å; I10-V18 HydrophobicContact CG1-CB 4.46Å; I10-V18 HydrophobicContact CG1-CG1 3.91Å; I10-V18 HydrophobicContact CG1-CG2 3.68Å; I10-A39 HydrophobicContact CD1-CB 3.54Å; I10-W42 HydrophobicContact CB-CB 4.38Å; I10-W42 HydrophobicContact CD1-CB 4.36Å; I10-W42 HydrophobicContact CG2-CB 3.59Å; I10-L48 HydrophobicContact CG2-CD1 3.83Å; I10-L48 WeakPolarHBondContact O-CD1 3.35Å; I10-L51 HydrophobicContact CD1-CD2 4.4Å; I10-L51 HydrophobicContact CG1-CD2 3.87Å; I10-L51 HydrophobicContact CG2-CD2 4.21Å
11Y93.2Very high88.3Confident139 Ų13977.2 Ų77.255%0.54538%0.379SS..Hα-helixtrans-60.1-41.1178.3179.8-99.5000112F7 Q8 K13 W42F7-Y11 WeakPolarHBondContact O-CB 3.36Å; F7-Y11 PolarHBondContact O-N 3.11Å; Q8-Y11 PolarHBondContact O-N 2.71Å; Y11-K13 PolarHBondContact O-N 3.35Å; Y11-W42 HydrophobicContact CD2-CZ3 4.19Å
12E95.6Very high90.7Very high82 Ų8266.2 Ų66.238%0.38333%0.325SS..THydrogen-bonded Turntrans-78.43.9174.1-67.1-175.7-17300113.7Q8 D9 I10 R14Q8-E12 HydrophobicContact CG-CG 4.49Å; Q8-E12 PolarHBondContact NE2-OE1 3.35Å; Q8-E12 WeakPolarHBondContact O-CB 3.42Å; Q8-E12 WeakPolarHBondContact O-CG 3.46Å; Q8-E12 PolarHBondContact O-N 3.48Å; D9-E12 CarbonylContact O-C 3.04Å; I10-E12 VanDerWaalsContact C-N 3.3Å; I10-E12 PolarHBondContact O-N 3.28Å; E12-R14 VanDerWaalsContact C-N 3.25Å; E12-R14 HydrophobicContact CB-CG 4.08Å; E12-R14 PolarHBondContact O-N 2.78Å; E12-R14 IonicContact OE2-CZ 2.9Å; E12-R14 IonicContact OE2-NE 3.73Å; E12-R14 PolarHBondContact OE2-NE 2.83Å; E12-R14 IonicContact OE2-NH2 3.9Å; E12-R14 PolarHBondContact OE2-NH2 2.9Å
13K96.6Very high92.5Very high136 Ų13667 Ų6759%0.59133%0.333SS*.THydrogen-bonded Turntrans60.728.7176.5-46.5-173.5179.2178.90114.1D9 I10 Y11 V15 L48D9-K13 PolarHBondContact O-N 2.68Å; I10-K13 WeakPolarHBondContact O-CA 3.17Å; I10-K13 PolarHBondContact O-N 2.92Å; Y11-K13 PolarHBondContact O-N 3.35Å; K13-V15 PolarHBondContact O-N 3.48Å; K13-L48 HydrophobicContact CB-CD2 3.91Å; K13-L48 HydrophobicContact CD-CD2 4.14Å; K13-L48 HydrophobicContact CG-CD2 3.92Å
14R96.8Very high94.5Very high126 Ų12666.6 Ų66.648%0.47533%0.33SS..  trans-78.360.5176.3-58-178.7-175.2-148.54.2111.4D9 E12 L16 T17 V18D9-R14 HydrophobicContact CB-CB 4.16Å; D9-R14 PolarHBondContact O-N 3.28Å; D9-R14 WeakPolarHBondContact OD1-CD 3.04Å; E12-R14 VanDerWaalsContact C-N 3.25Å; E12-R14 HydrophobicContact CB-CG 4.08Å; E12-R14 PolarHBondContact O-N 2.78Å; E12-R14 IonicContact OE2-CZ 2.9Å; E12-R14 IonicContact OE2-NE 3.73Å; E12-R14 PolarHBondContact OE2-NE 2.83Å; E12-R14 IonicContact OE2-NH2 3.9Å; E12-R14 PolarHBondContact OE2-NH2 2.9Å; R14-L16 VanDerWaalsContact C-N 3.3Å; R14-L16 PolarHBondContact O-N 2.85Å; R14-T17 PolarHBondContact O-N 3.06Å; R14-T17 VanDerWaalsContact O-N 3.16Å; R14-V18 WeakPolarHBondContact O-CG2 3.5Å; R14-V18 PolarHBondContact O-N 3.14Å
15V97.6Very high95.9Very high30 Ų3063.1 Ų63.118%0.18231%0.311CS..Hα-helixtrans-54.6-42-170.6173.30000112.9K13 V18 K19 L48 A50 L51K13-V15 PolarHBondContact O-N 3.48Å; V15-V18 PolarHBondContact O-N 3.46Å; V15-K19 HydrophobicContact CG1-CD 4.28Å; V15-K19 WeakPolarHBondContact O-CG 3.32Å; V15-K19 PolarHBondContact O-N 3Å; V15-L48 HydrophobicContact CG2-CB 4.44Å; V15-L48 HydrophobicContact CG2-CD1 4.26Å; V15-L48 HydrophobicContact CG2-CD2 4.13Å; V15-A50 HydrophobicContact CG1-CB 4.46Å; V15-L51 HydrophobicContact CG1-CB 4.12Å; V15-L51 HydrophobicContact CG2-CB 4.38Å
16L97.5Very high96.2Very high127 Ų12765.7 Ų65.767%0.66532%0.32SS*.Hα-helixtrans-64.4-48.9179.7-65.6177.3000111.5R14 V18 K19 E20R14-L16 VanDerWaalsContact C-N 3.3Å; R14-L16 PolarHBondContact O-N 2.85Å; L16-V18 VanDerWaalsContact C-N 3.28Å; L16-V18 PolarHBondContact O-N 3.43Å; L16-K19 WeakPolarHBondContact O-CB 3.46Å; L16-K19 PolarHBondContact O-N 2.91Å; L16-K19 VanDerWaalsContact O-N 3.08Å; L16-E20 WeakPolarHBondContact O-CG 3.37Å; L16-E20 PolarHBondContact O-N 3.2Å
17T96.8Very high96.2Very high48 Ų4870.8 Ų70.829%0.29434%0.343SS..Hα-helixtrans-57.9-40.9177-53.50000112.1R14 K21R14-T17 PolarHBondContact O-N 3.06Å; R14-T17 VanDerWaalsContact O-N 3.16Å; T17-K21 HydrophobicContact CG2-CD 4.36Å; T17-K21 WeakPolarHBondContact O-CB 3.4Å; T17-K21 WeakPolarHBondContact O-CG 3.24Å; T17-K21 PolarHBondContact O-N 3.13Å
18V97.4Very high96.2Very high0 Ų072 Ų720%035%0.35CS..Hα-helixtrans-63.1-44.2176.3176.80000111.1I6 D9 I10 R14 V15 L16 K21 I22 L51I6-V18 HydrophobicContact CD1-CG1 3.91Å; I6-V18 HydrophobicContact CG1-CG1 3.83Å; I6-V18 HydrophobicContact CG1-CG2 4.37Å; D9-V18 HydrophobicContact CB-CG2 3.48Å; D9-V18 VanDerWaalsContact CB-CG2 3.48Å; I10-V18 HydrophobicContact CD1-CG1 4.27Å; I10-V18 HydrophobicContact CG1-CB 4.46Å; I10-V18 HydrophobicContact CG1-CG1 3.91Å; I10-V18 HydrophobicContact CG1-CG2 3.68Å; R14-V18 WeakPolarHBondContact O-CG2 3.5Å; R14-V18 PolarHBondContact O-N 3.14Å; V15-V18 PolarHBondContact O-N 3.46Å; L16-V18 VanDerWaalsContact C-N 3.28Å; L16-V18 PolarHBondContact O-N 3.43Å; V18-K21 PolarHBondContact O-N 3.36Å; V18-I22 HydrophobicContact CG1-CD1 3.96Å; V18-I22 WeakPolarHBondContact O-CG1 3.39Å; V18-I22 PolarHBondContact O-N 3.03Å; V18-L51 HydrophobicContact CB-CD1 4.24Å; V18-L51 HydrophobicContact CB-CD2 4.45Å; V18-L51 HydrophobicContact CG1-CD1 3.7Å; V18-L51 HydrophobicContact CG1-CD2 3.96Å; V18-L51 HydrophobicContact CG1-CG 4.48Å
19K98.3Very high96.2Very high49 Ų4970.1 Ų70.121%0.21334%0.342CS..Hα-helixtrans-62.7-49.1178-71.7-177.7179-165.90111.4V15 L16 K21 I22 E23 A50 L51 F54V15-K19 HydrophobicContact CG1-CD 4.28Å; V15-K19 WeakPolarHBondContact O-CG 3.32Å; V15-K19 PolarHBondContact O-N 3Å; L16-K19 WeakPolarHBondContact O-CB 3.46Å; L16-K19 PolarHBondContact O-N 2.91Å; L16-K19 VanDerWaalsContact O-N 3.08Å; K19-K21 VanDerWaalsContact C-N 3.31Å; K19-K21 PolarHBondContact O-N 3.03Å; K19-I22 PolarHBondContact O-N 2.87Å; K19-I22 VanDerWaalsContact O-N 3.14Å; K19-E23 WeakPolarHBondContact O-CB 3.43Å; K19-E23 WeakPolarHBondContact O-CG 3.38Å; K19-E23 PolarHBondContact O-N 2.91Å; K19-A50 WeakPolarHBondContact CE-O 3.37Å; K19-A50 PolarHBondContact NZ-O 3.29Å; K19-L51 HydrophobicContact CG-CD1 4.15Å; K19-F54 HydrophobicContact CB-CE1 4.25Å; K19-F54 HydrophobicContact CB-CE2 4.26Å; K19-F54 HydrophobicContact CB-CZ 4.06Å; K19-F54 HydrophobicContact CD-CB 4.41Å; K19-F54 HydrophobicContact CD-CD1 4.49Å; K19-F54 HydrophobicContact CD-CD2 3.96Å; K19-F54 HydrophobicContact CD-CE2 4.34Å; K19-F54 HydrophobicContact CD-CG 4.03Å; K19-F54 HydrophobicContact CG-CD1 3.79Å; K19-F54 HydrophobicContact CG-CD2 3.98Å; K19-F54 HydrophobicContact CG-CE1 3.89Å; K19-F54 HydrophobicContact CG-CE2 4.06Å; K19-F54 HydrophobicContact CG-CG 3.83Å; K19-F54 HydrophobicContact CG-CZ 4.03Å
20E97.7Very high96.1Very high125 Ų12572 Ų7258%0.58435%0.35SS*.Hα-helixtrans-57.7-43.2178.1-70.3168169.600111.7L16 E23 A24L16-E20 WeakPolarHBondContact O-CG 3.37Å; L16-E20 PolarHBondContact O-N 3.2Å; E20-E23 PolarHBondContact O-N 3.3Å; E20-A24 WeakPolarHBondContact O-CB 3.39Å; E20-A24 PolarHBondContact O-N 3.14Å
21K96.5Very high95.9Very high64 Ų6474.9 Ų74.928%0.27837%0.366SS..Hα-helixtrans-61.5-45.6175.7-76.6-179.6176.2-175.70111.9D9 T17 V18 K19 A24 D25 L28D9-K21 WeakPolarHBondContact OD2-CE 3.44Å; D9-K21 IonicContact OD2-NZ 2.68Å; D9-K21 PolarHBondContact OD2-NZ 2.86Å; T17-K21 HydrophobicContact CG2-CD 4.36Å; T17-K21 WeakPolarHBondContact O-CB 3.4Å; T17-K21 WeakPolarHBondContact O-CG 3.24Å; T17-K21 PolarHBondContact O-N 3.13Å; V18-K21 PolarHBondContact O-N 3.36Å; K19-K21 VanDerWaalsContact C-N 3.31Å; K19-K21 PolarHBondContact O-N 3.03Å; K21-A24 PolarHBondContact O-N 2.98Å; K21-D25 PolarHBondContact O-N 2.99Å; K21-L28 HydrophobicContact CB-CD1 3.93Å; K21-L28 WeakPolarHBondContact O-CD1 3.32Å
22I96.9Very high96Very high0 Ų072.9 Ų72.90%036%0.36CS..Hα-helixtrans-69.9-36.3-179.7-69.6171.6000112.1I6 V18 K19 A24 D25 E26 L28 A29 F54 L55I6-I22 HydrophobicContact CD1-CD1 3.7Å; I6-I22 HydrophobicContact CD1-CG1 3.52Å; V18-I22 HydrophobicContact CG1-CD1 3.96Å; V18-I22 WeakPolarHBondContact O-CG1 3.39Å; V18-I22 PolarHBondContact O-N 3.03Å; K19-I22 PolarHBondContact O-N 2.87Å; K19-I22 VanDerWaalsContact O-N 3.14Å; I22-A24 VanDerWaalsContact C-N 3.28Å; I22-A24 PolarHBondContact O-N 3.31Å; I22-D25 CarbonylContact O-C 3.53Å; I22-D25 PolarHBondContact O-N 3.3Å; I22-E26 WeakPolarHBondContact O-CA 3.44Å; I22-E26 PolarHBondContact O-N 3.35Å; I22-L28 HydrophobicContact CG1-CB 4.25Å; I22-A29 HydrophobicContact CD1-CB 4.07Å; I22-A29 HydrophobicContact CG1-CB 4.33Å; I22-A29 HydrophobicContact CG2-CB 4.03Å; I22-F54 HydrophobicContact CB-CE1 4.02Å; I22-F54 HydrophobicContact CB-CZ 4.33Å; I22-F54 HydrophobicContact CD1-CE1 4.1Å; I22-F54 HydrophobicContact CG2-CE1 3.85Å; I22-F54 HydrophobicContact CG2-CZ 4.11Å; I22-L55 HydrophobicContact CD1-CD2 3.44Å; I22-L55 VanDerWaalsContact CD1-CD2 3.44Å
23E97.5Very high95.9Very high122 Ų12269.8 Ų69.857%0.5735%0.346SS*.Hα-helixtrans-67.1-32175.5-72173.1164.300111.6K19 E20 F54K19-E23 WeakPolarHBondContact O-CB 3.43Å; K19-E23 WeakPolarHBondContact O-CG 3.38Å; K19-E23 PolarHBondContact O-N 2.91Å; E20-E23 PolarHBondContact O-N 3.3Å; E23-F54 HydrophobicContact CG-CE2 4.2Å; E23-F54 HydrophobicContact CG-CZ 3.94Å
24A97Very high95.8Very high90 Ų9068.4 Ų68.474%0.74435%0.353SS*.Hα-helixtrans-75.2-34.8172.700000113.1E20 K21 I22E20-A24 WeakPolarHBondContact O-CB 3.39Å; E20-A24 PolarHBondContact O-N 3.14Å; K21-A24 PolarHBondContact O-N 2.98Å; I22-A24 VanDerWaalsContact C-N 3.28Å; I22-A24 PolarHBondContact O-N 3.31Å
25D96Very high95.7Very high77 Ų7764.4 Ų64.441%0.41234%0.344SS..  trans-145.499.6175.9179.87.8000111.5K21 I22 H27 L28K21-D25 PolarHBondContact O-N 2.99Å; I22-D25 CarbonylContact O-C 3.53Å; I22-D25 PolarHBondContact O-N 3.3Å; D25-H27 PolarHBondContact O-N 2.78Å; D25-H27 VanDerWaalsContact O-N 3.13Å; D25-H27 WeakPolarHBondContact OD1-CB 3.23Å; D25-H27 PolarHBondContact OD1-N 3.11Å; D25-L28 HydrophobicContact CB-CD1 4.12Å; D25-L28 HydrophobicContact CB-CG 3.98Å; D25-L28 WeakPolarHBondContact O-CB 3.34Å; D25-L28 WeakPolarHBondContact O-CG 3.46Å; D25-L28 PolarHBondContact O-N 2.66Å
26E94.1Very high95.6Very high86 Ų8663.1 Ų63.140%0.40234%0.337SS..G310 helixtrans-62-21.1-178.9-74.9-71.8167.900112.9I22 L28 A29 R58I22-E26 WeakPolarHBondContact O-CA 3.44Å; I22-E26 PolarHBondContact O-N 3.35Å; E26-L28 PolarHBondContact O-N 3Å; E26-A29 PolarHBondContact O-N 2.99Å; E26-R58 VanDerWaalsContact CD-NE 3.27Å; E26-R58 IonicContact OE1-CZ 3.28Å; E26-R58 VanDerWaalsContact OE1-CZ 3.28Å; E26-R58 IonicContact OE1-NE 2.83Å; E26-R58 PolarHBondContact OE1-NE 3.49Å; E26-R58 IonicContact OE1-NH2 2.71Å; E26-R58 PolarHBondContact OE1-NH2 2.83Å; E26-R58 WeakPolarHBondContact OE2-CD 3.23Å; E26-R58 IonicContact OE2-CZ 2.93Å; E26-R58 IonicContact OE2-NE 2.78Å; E26-R58 PolarHBondContact OE2-NE 2.68Å
27H93.4Very high95.5Very high116 Ų11660.1 Ų60.154%0.53732%0.317SS..G310 helixtrans-63.3-28.1175.9-174.865.1000111.9D25 A29 Q30 L31D25-H27 PolarHBondContact O-N 2.78Å; D25-H27 VanDerWaalsContact O-N 3.13Å; D25-H27 WeakPolarHBondContact OD1-CB 3.23Å; D25-H27 PolarHBondContact OD1-N 3.11Å; H27-A29 PolarHBondContact O-N 2.99Å; H27-Q30 PolarHBondContact O-N 3.4Å; H27-L31 PolarHBondContact O-N 3.21Å
28L94.3Very high95.4Very high39 Ų3958 Ų5820%0.20430%0.304CS..G310 helixtrans-60.3-29.5179.2-62.1-178000112.9I6 K21 I22 D25 E26 Q30 L31I6-L28 HydrophobicContact CD1-CB 3.96Å; K21-L28 HydrophobicContact CB-CD1 3.93Å; K21-L28 WeakPolarHBondContact O-CD1 3.32Å; I22-L28 HydrophobicContact CG1-CB 4.25Å; D25-L28 HydrophobicContact CB-CD1 4.12Å; D25-L28 HydrophobicContact CB-CG 3.98Å; D25-L28 WeakPolarHBondContact O-CB 3.34Å; D25-L28 WeakPolarHBondContact O-CG 3.46Å; D25-L28 PolarHBondContact O-N 2.66Å; E26-L28 PolarHBondContact O-N 3Å; L28-Q30 PolarHBondContact O-N 2.95Å; L28-L31 HydrophobicContact CD2-CD1 3.54Å; L28-L31 HydrophobicContact CD2-CG 4.45Å; L28-L31 PolarHBondContact O-N 3.08Å
29A94.1Very high95.3Very high5 Ų558 Ų584%0.04130%0.304CS..G310 helixtrans-66.5-25175.900000112.9I22 E26 H27 L55 R58I22-A29 HydrophobicContact CD1-CB 4.07Å; I22-A29 HydrophobicContact CG1-CB 4.33Å; I22-A29 HydrophobicContact CG2-CB 4.03Å; E26-A29 PolarHBondContact O-N 2.99Å; H27-A29 PolarHBondContact O-N 2.99Å; A29-L55 HydrophobicContact CB-CD2 4.17Å; A29-R58 HydrophobicContact CB-CB 4.41Å
30Q93.2Very high95.3Very high51 Ų5155.7 Ų55.724%0.23829%0.294CS..G310 helixtrans-95.6-10.1-177.4-53.1-56.6-6600113.3H27 L28 R58H27-Q30 PolarHBondContact O-N 3.4Å; L28-Q30 PolarHBondContact O-N 2.95Å; Q30-R58 PolarHBondContact NE2-O 2.9Å
31L93.9Very high95.3Very high61 Ų6149.8 Ų49.832%0.31927%0.266SS..  trans-57.8146.4176.2-68.2-178.6000110.1F7 H27 L28 N38F7-L31 HydrophobicContact CZ-CB 4.09Å; F7-L31 WeakPolarHBondContact CZ-O 3.37Å; H27-L31 PolarHBondContact O-N 3.21Å; L28-L31 HydrophobicContact CD2-CD1 3.54Å; L28-L31 HydrophobicContact CD2-CG 4.45Å; L28-L31 PolarHBondContact O-N 3.08Å; L31-N38 VanDerWaalsContact O-CA 3.24Å; L31-N38 WeakPolarHBondContact O-CA 3.34Å; L31-N38 WeakPolarHBondContact O-CB 3.45Å
32K94.2Very high95.3Very high97 Ų9747.9 Ų47.942%0.42226%0.257SS..  trans-117.3142.8175.5-66.7-176.2174.2-160.70109.8G36 R37 N38 E64K32-G36 VanDerWaalsContact CD-O 3.32Å; K32-G36 WeakPolarHBondContact CD-O 3.44Å; K32-R37 WeakPolarHBondContact CA-O 3.42Å; K32-N38 HydrophobicContact CG-CB 4.47Å; K32-E64 WeakPolarHBondContact CE-OE1 3.18Å; K32-E64 IonicContact NZ-OE1 2.66Å; K32-E64 PolarHBondContact NZ-OE1 3.02Å
33D94Very high95.4Very high17 Ų1747.9 Ų47.99%0.09126%0.257CS..  trans-74-177.4169.174.8-0.1000111.1F7 S35 G36 R37 W42F7-D33 HydrophobicContact CD2-CB 3.99Å; F7-D33 HydrophobicContact CE2-CB 3.9Å; F7-D33 HydrophobicContact CG-CB 4.46Å; F7-D33 HydrophobicContact CZ-CB 4.28Å; D33-S35 PolarHBondContact O-N 3.11Å; D33-S35 WeakPolarHBondContact OD1-CA 3.44Å; D33-S35 WeakPolarHBondContact OD1-CB 3.44Å; D33-S35 PolarHBondContact OD1-N 2.95Å; D33-G36 PolarHBondContact O-N 3.19Å; D33-G36 PolarHBondContact OD1-N 3.02Å; D33-G36 VanDerWaalsContact OD1-N 3.13Å; D33-R37 PolarHBondContact N-O 2.82Å; D33-R37 WeakPolarHBondContact OD1-CB 3.27Å; D33-R37 PolarHBondContact OD1-N 3.04Å; D33-R37 IonicContact OD1-NE 2.81Å; D33-R37 IonicContact OD2-CZ 2.74Å; D33-R37 VanDerWaalsContact OD2-CZ 3.28Å; D33-R37 IonicContact OD2-NE 3.28Å; D33-R37 PolarHBondContact OD2-NE 2.85Å; D33-R37 IonicContact OD2-NH2 3.7Å; D33-R37 PolarHBondContact OD2-NH2 2.97Å; D33-W42 VanDerWaalsContact OD2-CZ2 3.32Å; D33-W42 WeakPolarHBondContact OD2-CZ2 3.31Å; D33-W42 PolarHBondContact OD2-NE1 2.98Å; D33-W42 VanDerWaalsContact OD2-NE1 3.11Å
34S94.2Very high95.4Very high107 Ų10742 Ų4275%0.74823%0.23SC*.THydrogen-bonded Turntrans-66.1-2.6178.258.70000114.9
35S94.7Very high95.5Very high41 Ų4140 Ų4029%0.28721%0.21SC..THydrogen-bonded Turntrans-113.17.4175.4-56.70000111.8D33 R37 D66 D67D33-S35 PolarHBondContact O-N 3.11Å; D33-S35 WeakPolarHBondContact OD1-CA 3.44Å; D33-S35 WeakPolarHBondContact OD1-CB 3.44Å; D33-S35 PolarHBondContact OD1-N 2.95Å; S35-R37 VanDerWaalsContact C-N 3.34Å; S35-D66 WeakPolarHBondContact O-CB 3.48Å; S35-D67 VanDerWaalsContact C-CG 3.48Å; S35-D67 WeakPolarHBondContact O-CB 3.39Å; S35-D67 PolarHBondContact O-N 2.87Å
36G95.9Very high95.5Very high3 Ų337.5 Ų37.53%0.03120%0.199CC..SBendtrans82.26.8-179.700000114.4K32 D33 D67K32-G36 VanDerWaalsContact CD-O 3.32Å; K32-G36 WeakPolarHBondContact CD-O 3.44Å; D33-G36 PolarHBondContact O-N 3.19Å; D33-G36 PolarHBondContact OD1-N 3.02Å; D33-G36 VanDerWaalsContact OD1-N 3.13Å; G36-D67 WeakPolarHBondContact CA-OD1 3.4Å; G36-D67 PolarHBondContact N-OD2 3.15Å
37R95.5Very high95.7Very high64 Ų6437.1 Ų37.124%0.24220%0.2CC..  trans-86.8129.3-177.4-64.6173.5-62.2-166.3-3.9110.9K32 D33 S35 H41 W42 D66K32-R37 WeakPolarHBondContact CA-O 3.42Å; D33-R37 PolarHBondContact N-O 2.82Å; D33-R37 WeakPolarHBondContact OD1-CB 3.27Å; D33-R37 PolarHBondContact OD1-N 3.04Å; D33-R37 IonicContact OD1-NE 2.81Å; D33-R37 IonicContact OD2-CZ 2.74Å; D33-R37 VanDerWaalsContact OD2-CZ 3.28Å; D33-R37 IonicContact OD2-NE 3.28Å; D33-R37 PolarHBondContact OD2-NE 2.85Å; D33-R37 IonicContact OD2-NH2 3.7Å; D33-R37 PolarHBondContact OD2-NH2 2.97Å; S35-R37 VanDerWaalsContact C-N 3.34Å; R37-H41 HydrophobicContact CB-CB 3.9Å; R37-H41 HydrophobicContact CG-CB 4.21Å; R37-W42 VanDerWaalsContact NH2-CZ2 3.25Å; R37-D66 HydrophobicContact CB-CB 4.5Å; R37-D66 HydrophobicContact CG-CB 3.48Å; R37-D66 VanDerWaalsContact CG-CB 3.48Å
38N94.7Very high96Very high3 Ų332.4 Ų32.42%0.01618%0.178CC..  trans-89.2176.7172.76518.2000112.4L31 K32 F40 H41 W42 E64L31-N38 VanDerWaalsContact O-CA 3.24Å; L31-N38 WeakPolarHBondContact O-CA 3.34Å; L31-N38 WeakPolarHBondContact O-CB 3.45Å; K32-N38 HydrophobicContact CG-CB 4.47Å; N38-F40 PolarHBondContact O-N 2.88Å; N38-F40 VanDerWaalsContact O-N 3.15Å; N38-F40 WeakPolarHBondContact OD1-CB 3.44Å; N38-F40 PolarHBondContact OD1-N 3.38Å; N38-H41 WeakPolarHBondContact O-CB 3.48Å; N38-H41 PolarHBondContact O-N 3.17Å; N38-H41 PolarHBondContact OD1-N 3.04Å; N38-H41 PolarHBondContact OD1-ND1 2.9Å; N38-W42 PolarHBondContact O-N 3.15Å; N38-E64 PolarHBondContact ND2-OE2 3.14Å
39A96.3Very high96.2Very high0 Ų031.5 Ų31.50%017%0.173CC..Hα-helixtrans-54.9-34.3179.100000112.7I10 W42 A43 L55I10-A39 HydrophobicContact CD1-CB 3.54Å; A39-W42 PolarHBondContact O-N 3.18Å; A39-A43 WeakPolarHBondContact O-CB 3.3Å; A39-A43 PolarHBondContact O-N 3.33Å; A39-L55 HydrophobicContact CB-CD1 3.78Å; A39-L55 HydrophobicContact CB-CD2 4.15Å
40F97.9Very high96.4Very high2 Ų233.7 Ų33.71%0.00919%0.191CC..Hα-helixtrans-68.4-41.4-179.1-170.5-114.6000112.3N38 W42 A43 C44 V52 L55 L56 T59 V62 P72 L88N38-F40 PolarHBondContact O-N 2.88Å; N38-F40 VanDerWaalsContact O-N 3.15Å; N38-F40 WeakPolarHBondContact OD1-CB 3.44Å; N38-F40 PolarHBondContact OD1-N 3.38Å; F40-W42 VanDerWaalsContact C-N 3.34Å; F40-W42 PolarHBondContact O-N 3.08Å; F40-A43 PolarHBondContact O-N 3.06Å; F40-C44 WeakPolarHBondContact O-CB 3.21Å; F40-C44 PolarHBondContact O-N 3.31Å; F40-C44 PolarHBondContact O-SG 3.26Å; F40-V52 HydrophobicContact CE2-CG1 3.82Å; F40-V52 WeakPolarHBondContact CE2-O 3.32Å; F40-V52 HydrophobicContact CZ-CG1 4.29Å; F40-L55 HydrophobicContact CB-CB 4.42Å; F40-L55 HydrophobicContact CB-CD1 4.42Å; F40-L55 HydrophobicContact CD2-CB 3.66Å; F40-L55 HydrophobicContact CE2-CB 4.45Å; F40-L56 HydrophobicContact CE2-CB 4.01Å; F40-L56 HydrophobicContact CE2-CD1 4.34Å; F40-L56 HydrophobicContact CZ-CB 4.37Å; F40-L56 HydrophobicContact CZ-CD1 3.86Å; F40-T59 HydrophobicContact CD1-CG2 3.94Å; F40-T59 HydrophobicContact CE1-CG2 4.34Å; F40-T59 HydrophobicContact CG-CG2 4.32Å; F40-T59 WeakPolarHBondContact CG-OG1 3.3Å; F40-V62 HydrophobicContact CE1-CG2 4.05Å; F40-V62 HydrophobicContact CZ-CG2 4.32Å; F40-P72 HydrophobicContact CD1-CB 4.02Å; F40-P72 HydrophobicContact CD1-CG 3.65Å; F40-P72 HydrophobicContact CE1-CB 3.92Å; F40-P72 HydrophobicContact CE1-CG 3.86Å; F40-L88 HydrophobicContact CE1-CD2 3.72Å; F40-L88 HydrophobicContact CZ-CD2 3.5Å
41H97.3Very high96.6Very high1 Ų131.2 Ų31.21%0.00518%0.18CC..Hα-helixtrans-56.7-47.9172.3-78.179.9000111.7R37 N38 C44 S45 E64 W70R37-H41 HydrophobicContact CB-CB 3.9Å; R37-H41 HydrophobicContact CG-CB 4.21Å; N38-H41 WeakPolarHBondContact O-CB 3.48Å; N38-H41 PolarHBondContact O-N 3.17Å; N38-H41 PolarHBondContact OD1-N 3.04Å; N38-H41 PolarHBondContact OD1-ND1 2.9Å; H41-C44 PolarHBondContact O-N 3.04Å; H41-S45 WeakPolarHBondContact O-CB 3.42Å; H41-S45 PolarHBondContact O-N 2.9Å; H41-E64 PolarHBondContact CE1-O 3.45Å; H41-E64 PolarHBondContact NE2-O 3.4Å; H41-E64 VanDerWaalsContact NE2-O 3.13Å; H41-W70 PolarHBondContact NE2-O 3.25Å; H41-W70 VanDerWaalsContact NE2-O 3.08Å
42W97Very high96.9Very high23 Ų2328.3 Ų28.39%0.08716%0.164CC..Hα-helixtrans-66-44.5180-77.2100.8000112.1W2 F7 I10 Y11 D33 R37 N38 A39 F40 C44 S45 C46W2-W42 HydrophobicContact CH2-CH2 4.38Å; F7-W42 AromaticContact CD1-CD1 3.61Å; F7-W42 HydrophobicContact CD1-CG 4.42Å; F7-W42 AromaticContact CD1-NE1 3.84Å; I10-W42 HydrophobicContact CB-CB 4.38Å; I10-W42 HydrophobicContact CD1-CB 4.36Å; I10-W42 HydrophobicContact CG2-CB 3.59Å; Y11-W42 HydrophobicContact CD2-CZ3 4.19Å; D33-W42 VanDerWaalsContact OD2-CZ2 3.32Å; D33-W42 WeakPolarHBondContact OD2-CZ2 3.31Å; D33-W42 PolarHBondContact OD2-NE1 2.98Å; D33-W42 VanDerWaalsContact OD2-NE1 3.11Å; R37-W42 VanDerWaalsContact NH2-CZ2 3.25Å; N38-W42 PolarHBondContact O-N 3.15Å; A39-W42 PolarHBondContact O-N 3.18Å; F40-W42 VanDerWaalsContact C-N 3.34Å; F40-W42 PolarHBondContact O-N 3.08Å; W42-C44 VanDerWaalsContact C-N 3.28Å; W42-C44 PolarHBondContact O-N 3.16Å; W42-S45 PolarHBondContact O-N 2.86Å; W42-C46 WeakPolarHBondContact O-CB 3.27Å; W42-C46 PolarHBondContact O-N 2.93Å; W42-C46 PolarHBondContact O-SG 2.81Å
43A98.3Very high97.1Very high0 Ų027.7 Ų27.70%016%0.163CC..Hα-helixtrans-57.9-42176.400000111.8A39 F40 N47 L48 L51 V52 L55A39-A43 WeakPolarHBondContact O-CB 3.3Å; A39-A43 PolarHBondContact O-N 3.33Å; F40-A43 PolarHBondContact O-N 3.06Å; A43-N47 PolarHBondContact O-N 3.11Å; A43-L48 HydrophobicContact CB-CB 4.47Å; A43-L48 PolarHBondContact O-N 3.43Å; A43-L51 HydrophobicContact CB-CB 4.19Å; A43-L51 HydrophobicContact CB-CD2 3.88Å; A43-L51 HydrophobicContact CB-CG 3.95Å; A43-V52 HydrophobicContact CB-CG2 3.78Å; A43-L55 HydrophobicContact CB-CD1 3.91Å
44C98.5Very high97.3Very high0 Ų028.1 Ų28.10%016%0.164CC..Hα-helixtrans-66.4-45.6175.8-65.80000111.9F40 H41 W42 C46 N47 P72 H81 V84 L88F40-C44 WeakPolarHBondContact O-CB 3.21Å; F40-C44 PolarHBondContact O-N 3.31Å; F40-C44 PolarHBondContact O-SG 3.26Å; H41-C44 PolarHBondContact O-N 3.04Å; W42-C44 VanDerWaalsContact C-N 3.28Å; W42-C44 PolarHBondContact O-N 3.16Å; C44-C46 VanDerWaalsContact C-N 3.28Å; C44-C46 PolarHBondContact O-N 3.2Å; C44-N47 PolarHBondContact O-N 2.9Å; C44-P72 HydrophobicContact CB-CB 4.19Å; C44-H81 PolarHBondContact O-CD2 3.21Å; C44-V84 HydrophobicContact CB-CG1 3.88Å; C44-L88 HydrophobicContact CB-CD1 4.47Å
45S97.5Very high97.5Very high46 Ų4623.1 Ų23.132%0.32213%0.129SC..Hα-helixtrans-66.6-25.5179.4-171.10000113.9H41 W42 H81H41-S45 WeakPolarHBondContact O-CB 3.42Å; H41-S45 PolarHBondContact O-N 2.9Å; W42-S45 PolarHBondContact O-N 2.86Å; S45-H81 PolarHBondContact O-NE2 3.04Å
46C97.5Very high97.6Very high25 Ų2522.7 Ų22.717%0.16912%0.123CC..THydrogen-bonded Turntrans-100.86.6-177.3-67.90000113.8W42 C44 L48W42-C46 WeakPolarHBondContact O-CB 3.27Å; W42-C46 PolarHBondContact O-N 2.93Å; W42-C46 PolarHBondContact O-SG 2.81Å; C44-C46 VanDerWaalsContact C-N 3.28Å; C44-C46 PolarHBondContact O-N 3.2Å; C46-L48 VanDerWaalsContact C-N 3.32Å; C46-L48 HydrophobicContact CB-CD1 4.11Å; C46-L48 HydrophobicContact CB-CG 3.92Å; C46-L48 PolarHBondContact O-N 3.41Å
47N98.4Very high97.6Very high79 Ų7927.7 Ų27.742%0.42216%0.155SC..THydrogen-bonded Turntrans58.636.4-176.9-160.627.5000114.1A43 C44 M49 H81A43-N47 PolarHBondContact O-N 3.11Å; C44-N47 PolarHBondContact O-N 2.9Å; N47-M49 PolarHBondContact O-N 2.8Å; N47-H81 HydrophobicContact CB-CB 4.39Å; N47-H81 PolarHBondContact N-CD2 3.45Å
48L98.4Very high97.6Very high17 Ų1727.7 Ų27.79%0.08916%0.155CC..  trans-92.271.2-177.2-61.6179.8000110.8I10 K13 V15 A43 C46 A50 L51 V52I10-L48 HydrophobicContact CG2-CD1 3.83Å; I10-L48 WeakPolarHBondContact O-CD1 3.35Å; K13-L48 HydrophobicContact CB-CD2 3.91Å; K13-L48 HydrophobicContact CD-CD2 4.14Å; K13-L48 HydrophobicContact CG-CD2 3.92Å; V15-L48 HydrophobicContact CG2-CB 4.44Å; V15-L48 HydrophobicContact CG2-CD1 4.26Å; V15-L48 HydrophobicContact CG2-CD2 4.13Å; A43-L48 HydrophobicContact CB-CB 4.47Å; A43-L48 PolarHBondContact O-N 3.43Å; C46-L48 VanDerWaalsContact C-N 3.32Å; C46-L48 HydrophobicContact CB-CD1 4.11Å; C46-L48 HydrophobicContact CB-CG 3.92Å; C46-L48 PolarHBondContact O-N 3.41Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-A50 PolarHBondContact O-N 3.4Å; L48-L51 HydrophobicContact CB-CB 3.93Å; L48-L51 HydrophobicContact CD1-CD2 4.09Å; L48-L51 CarbonylContact O-C 3.36Å; L48-L51 WeakPolarHBondContact O-CA 3.48Å; L48-L51 WeakPolarHBondContact O-CB 3.43Å; L48-L51 PolarHBondContact O-N 3.4Å; L48-V52 WeakPolarHBondContact O-CG2 3.38Å; L48-V52 PolarHBondContact O-N 2.74Å
49M98.5Very high97.6Very high19 Ų1928.6 Ų28.69%0.09416%0.161CC..Hα-helixtrans-53.3-46-171.2-166.668.6-154.900113.8N47 L51 V52 E53 R83 V84 F87N47-M49 PolarHBondContact O-N 2.8Å; M49-L51 PolarHBondContact O-N 3.06Å; M49-L51 VanDerWaalsContact O-N 3.15Å; M49-V52 WeakPolarHBondContact O-CB 3.36Å; M49-V52 PolarHBondContact O-N 2.72Å; M49-V52 VanDerWaalsContact O-N 3.14Å; M49-E53 HydrophobicContact CE-CG 3.68Å; M49-E53 WeakPolarHBondContact CE-OE1 3.48Å; M49-E53 HydrophobicContact CG-CG 4.46Å; M49-E53 WeakPolarHBondContact O-CG 3.39Å; M49-E53 PolarHBondContact O-N 3.13Å; M49-R83 HydrophobicContact SD-CG 4.09Å; M49-V84 HydrophobicContact SD-CG2 4.07Å; M49-F87 HydrophobicContact CE-CB 3.46Å; M49-F87 VanDerWaalsContact CE-CB 3.46Å; M49-F87 HydrophobicContact CE-CD1 3.75Å; M49-F87 HydrophobicContact CE-CD2 3.32Å; M49-F87 HydrophobicContact CE-CE1 4.28Å; M49-F87 HydrophobicContact CE-CE2 3.91Å; M49-F87 HydrophobicContact CE-CG 3.21Å; M49-F87 HydrophobicContact CE-CZ 4.36Å; M49-F87 HydrophobicContact SD-CB 4.47Å
50A98.5Very high97.3Very high51 Ų5137.1 Ų37.142%0.42120%0.198SC..Hα-helixtrans-63-23178.900000113.3V15 K19 L48 F54V15-A50 HydrophobicContact CG1-CB 4.46Å; K19-A50 WeakPolarHBondContact CE-O 3.37Å; K19-A50 PolarHBondContact NZ-O 3.29Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-A50 PolarHBondContact O-N 3.4Å; A50-F54 WeakPolarHBondContact O-CB 3.36Å
51L98.5Very high97.2Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-88.9-37.8174.6-172.362.9000111.4I10 V15 V18 K19 A43 L48 M49 E53 F54 L55I10-L51 HydrophobicContact CD1-CD2 4.4Å; I10-L51 HydrophobicContact CG1-CD2 3.87Å; I10-L51 HydrophobicContact CG2-CD2 4.21Å; V15-L51 HydrophobicContact CG1-CB 4.12Å; V15-L51 HydrophobicContact CG2-CB 4.38Å; V18-L51 HydrophobicContact CB-CD1 4.24Å; V18-L51 HydrophobicContact CB-CD2 4.45Å; V18-L51 HydrophobicContact CG1-CD1 3.7Å; V18-L51 HydrophobicContact CG1-CD2 3.96Å; V18-L51 HydrophobicContact CG1-CG 4.48Å; K19-L51 HydrophobicContact CG-CD1 4.15Å; A43-L51 HydrophobicContact CB-CB 4.19Å; A43-L51 HydrophobicContact CB-CD2 3.88Å; A43-L51 HydrophobicContact CB-CG 3.95Å; L48-L51 HydrophobicContact CB-CB 3.93Å; L48-L51 HydrophobicContact CD1-CD2 4.09Å; L48-L51 CarbonylContact O-C 3.36Å; L48-L51 WeakPolarHBondContact O-CA 3.48Å; L48-L51 WeakPolarHBondContact O-CB 3.43Å; L48-L51 PolarHBondContact O-N 3.4Å; M49-L51 PolarHBondContact O-N 3.06Å; M49-L51 VanDerWaalsContact O-N 3.15Å; L51-E53 VanDerWaalsContact C-N 3.35Å; L51-E53 PolarHBondContact O-N 3.07Å; L51-F54 HydrophobicContact CD1-CD1 4.05Å; L51-F54 PolarHBondContact O-N 2.97Å; L51-L55 HydrophobicContact CD1-CD1 4.1Å; L51-L55 HydrophobicContact CD1-CG 4.09Å; L51-L55 HydrophobicContact CD2-CD1 4.26Å; L51-L55 HydrophobicContact CG-CD1 3.72Å; L51-L55 HydrophobicContact CG-CG 4.16Å; L51-L55 VanDerWaalsContact O-CB 3.3Å; L51-L55 WeakPolarHBondContact O-CB 3.39Å; L51-L55 VanDerWaalsContact O-CG 3.27Å; L51-L55 WeakPolarHBondContact O-CG 3.38Å; L51-L55 PolarHBondContact O-N 3.3Å
52V98.7Very high97.2Very high0 Ų041.5 Ų41.50%022%0.222CC..Hα-helixtrans-55.5-50.4171.11730000110.2F40 A43 L48 M49 F54 L55 L56 V84 F87F40-V52 HydrophobicContact CE2-CG1 3.82Å; F40-V52 WeakPolarHBondContact CE2-O 3.32Å; F40-V52 HydrophobicContact CZ-CG1 4.29Å; A43-V52 HydrophobicContact CB-CG2 3.78Å; L48-V52 WeakPolarHBondContact O-CG2 3.38Å; L48-V52 PolarHBondContact O-N 2.74Å; M49-V52 WeakPolarHBondContact O-CB 3.36Å; M49-V52 PolarHBondContact O-N 2.72Å; M49-V52 VanDerWaalsContact O-N 3.14Å; V52-F54 VanDerWaalsContact C-N 3.29Å; V52-F54 PolarHBondContact O-N 3.04Å; V52-L55 PolarHBondContact O-N 2.94Å; V52-L56 WeakPolarHBondContact O-CB 3.36Å; V52-L56 PolarHBondContact O-N 3.36Å; V52-V84 HydrophobicContact CG2-CG1 4.45Å; V52-F87 HydrophobicContact CG1-CD1 3.8Å; V52-F87 HydrophobicContact CG1-CE1 3.87Å
53E98.5Very high97.3Very high84 Ų8441.8 Ų41.839%0.39323%0.225SC..Hα-helixtrans-60.6-37.8177.5-70.1168.1-177.700112.2M49 L51 P57 R83 F87M49-E53 HydrophobicContact CE-CG 3.68Å; M49-E53 WeakPolarHBondContact CE-OE1 3.48Å; M49-E53 HydrophobicContact CG-CG 4.46Å; M49-E53 WeakPolarHBondContact O-CG 3.39Å; M49-E53 PolarHBondContact O-N 3.13Å; L51-E53 VanDerWaalsContact C-N 3.35Å; L51-E53 PolarHBondContact O-N 3.07Å; E53-P57 VanDerWaalsContact O-CD 3.27Å; E53-P57 WeakPolarHBondContact O-CD 3.36Å; E53-R83 IonicContact OE1-NH2 2.63Å; E53-F87 HydrophobicContact CG-CE2 3.95Å; E53-F87 HydrophobicContact CG-CZ 3.89Å
54F98.4Very high97.3Very high26 Ų2643.9 Ų43.911%0.11424%0.235CC..Hα-helixtrans-72.4-35.6179.3172.4-93.6000113.4K19 I22 E23 A50 L51 V52 R58K19-F54 HydrophobicContact CB-CE1 4.25Å; K19-F54 HydrophobicContact CB-CE2 4.26Å; K19-F54 HydrophobicContact CB-CZ 4.06Å; K19-F54 HydrophobicContact CD-CB 4.41Å; K19-F54 HydrophobicContact CD-CD1 4.49Å; K19-F54 HydrophobicContact CD-CD2 3.96Å; K19-F54 HydrophobicContact CD-CE2 4.34Å; K19-F54 HydrophobicContact CD-CG 4.03Å; K19-F54 HydrophobicContact CG-CD1 3.79Å; K19-F54 HydrophobicContact CG-CD2 3.98Å; K19-F54 HydrophobicContact CG-CE1 3.89Å; K19-F54 HydrophobicContact CG-CE2 4.06Å; K19-F54 HydrophobicContact CG-CG 3.83Å; K19-F54 HydrophobicContact CG-CZ 4.03Å; I22-F54 HydrophobicContact CB-CE1 4.02Å; I22-F54 HydrophobicContact CB-CZ 4.33Å; I22-F54 HydrophobicContact CD1-CE1 4.1Å; I22-F54 HydrophobicContact CG2-CE1 3.85Å; I22-F54 HydrophobicContact CG2-CZ 4.11Å; E23-F54 HydrophobicContact CG-CE2 4.2Å; E23-F54 HydrophobicContact CG-CZ 3.94Å; A50-F54 WeakPolarHBondContact O-CB 3.36Å; L51-F54 HydrophobicContact CD1-CD1 4.05Å; L51-F54 PolarHBondContact O-N 2.97Å; V52-F54 VanDerWaalsContact C-N 3.29Å; V52-F54 PolarHBondContact O-N 3.04Å; F54-R58 PolarHBondContact O-NH1 3Å
55L98.2Very high97.3Very high2 Ų246.5 Ų46.51%0.0125%0.251CS..Hα-helixtrans-85.4-24.8-177.1-74.3174.5000113.1I22 A29 A39 F40 A43 L51 V52 R58 T59I22-L55 HydrophobicContact CD1-CD2 3.44Å; I22-L55 VanDerWaalsContact CD1-CD2 3.44Å; A29-L55 HydrophobicContact CB-CD2 4.17Å; A39-L55 HydrophobicContact CB-CD1 3.78Å; A39-L55 HydrophobicContact CB-CD2 4.15Å; F40-L55 HydrophobicContact CB-CB 4.42Å; F40-L55 HydrophobicContact CB-CD1 4.42Å; F40-L55 HydrophobicContact CD2-CB 3.66Å; F40-L55 HydrophobicContact CE2-CB 4.45Å; A43-L55 HydrophobicContact CB-CD1 3.91Å; L51-L55 HydrophobicContact CD1-CD1 4.1Å; L51-L55 HydrophobicContact CD1-CG 4.09Å; L51-L55 HydrophobicContact CD2-CD1 4.26Å; L51-L55 HydrophobicContact CG-CD1 3.72Å; L51-L55 HydrophobicContact CG-CG 4.16Å; L51-L55 VanDerWaalsContact O-CB 3.3Å; L51-L55 WeakPolarHBondContact O-CB 3.39Å; L51-L55 VanDerWaalsContact O-CG 3.27Å; L51-L55 WeakPolarHBondContact O-CG 3.38Å; L51-L55 PolarHBondContact O-N 3.3Å; V52-L55 PolarHBondContact O-N 2.94Å; L55-R58 CarbonylContact O-C 3.56Å; L55-R58 WeakPolarHBondContact O-CA 3.41Å; L55-R58 WeakPolarHBondContact O-CB 3.42Å; L55-R58 PolarHBondContact O-N 2.87Å; L55-T59 PolarHBondContact O-N 3Å; L55-T59 PolarHBondContact O-OG1 3.08Å
56L97.8Very high97.3Very high31 Ų3144.9 Ų44.916%0.16224%0.239CC..G310 helixtrans-55.5-48.9-177.9176.373.2000112.6F40 V52 R58 T59 V62 F87 N91F40-L56 HydrophobicContact CE2-CB 4.01Å; F40-L56 HydrophobicContact CE2-CD1 4.34Å; F40-L56 HydrophobicContact CZ-CB 4.37Å; F40-L56 HydrophobicContact CZ-CD1 3.86Å; V52-L56 WeakPolarHBondContact O-CB 3.36Å; V52-L56 PolarHBondContact O-N 3.36Å; L56-R58 PolarHBondContact O-N 3.2Å; L56-R58 VanDerWaalsContact O-N 3.11Å; L56-T59 WeakPolarHBondContact O-CB 3.46Å; L56-T59 PolarHBondContact O-N 2.98Å; L56-V62 HydrophobicContact CD1-CB 4.39Å; L56-V62 HydrophobicContact CD1-CG2 4.09Å; L56-F87 HydrophobicContact CB-CE1 4.33Å; L56-F87 HydrophobicContact CD2-CE1 3.64Å; L56-F87 HydrophobicContact CD2-CZ 3.7Å; L56-F87 HydrophobicContact CG-CE1 4.48Å; L56-N91 HydrophobicContact CD1-CB 4.35Å; L56-N91 HydrophobicContact CD2-CB 3.72Å; L56-N91 VanDerWaalsContact CD2-CG 3.43Å; L56-N91 WeakPolarHBondContact CD2-OD1 3.27Å
57P96.4Very high97.3Very high108 Ų10848.6 Ų48.670%0.70126%0.257SS*.G310 helixtrans-62.9-19.1177.4-22.234.4000114.2E53E53-P57 VanDerWaalsContact O-CD 3.27Å; E53-P57 WeakPolarHBondContact O-CD 3.36Å
58R95Very high97.3Very high64 Ų6449.9 Ų49.924%0.24226%0.263CS..G310 helixtrans-95.4-7.4178.4-63.9169.5166.781.34.6112.4E26 A29 Q30 F54 L55 L56E26-R58 VanDerWaalsContact CD-NE 3.27Å; E26-R58 IonicContact OE1-CZ 3.28Å; E26-R58 VanDerWaalsContact OE1-CZ 3.28Å; E26-R58 IonicContact OE1-NE 2.83Å; E26-R58 PolarHBondContact OE1-NE 3.49Å; E26-R58 IonicContact OE1-NH2 2.71Å; E26-R58 PolarHBondContact OE1-NH2 2.83Å; E26-R58 WeakPolarHBondContact OE2-CD 3.23Å; E26-R58 IonicContact OE2-CZ 2.93Å; E26-R58 IonicContact OE2-NE 2.78Å; E26-R58 PolarHBondContact OE2-NE 2.68Å; A29-R58 HydrophobicContact CB-CB 4.41Å; Q30-R58 PolarHBondContact NE2-O 2.9Å; F54-R58 PolarHBondContact O-NH1 3Å; L55-R58 CarbonylContact O-C 3.56Å; L55-R58 WeakPolarHBondContact O-CA 3.41Å; L55-R58 WeakPolarHBondContact O-CB 3.42Å; L55-R58 PolarHBondContact O-N 2.87Å; L56-R58 PolarHBondContact O-N 3.2Å; L56-R58 VanDerWaalsContact O-N 3.11Å
59T93.4Very high97.3Very high22 Ų2249.3 Ų49.314%0.13526%0.262CS..  trans-88.1120.1-179.5-60.90000108.8F40 L55 L56 N61F40-T59 HydrophobicContact CD1-CG2 3.94Å; F40-T59 HydrophobicContact CE1-CG2 4.34Å; F40-T59 HydrophobicContact CG-CG2 4.32Å; F40-T59 WeakPolarHBondContact CG-OG1 3.3Å; L55-T59 PolarHBondContact O-N 3Å; L55-T59 PolarHBondContact O-OG1 3.08Å; L56-T59 WeakPolarHBondContact O-CB 3.46Å; L56-T59 PolarHBondContact O-N 2.98Å; T59-N61 VanDerWaalsContact C-N 3.26Å; T59-N61 VanDerWaalsContact CG2-O 3.31Å; T59-N61 WeakPolarHBondContact CG2-O 3.44Å; T59-N61 PolarHBondContact O-N 2.87Å
60K91.1Very high97.3Very high179 Ų17950.5 Ų50.578%0.77827%0.265SS*.SBendtrans-64.6-31.8-178.8-65.5179-176.9174.70112.8
61N96.2Very high97.3Very high79 Ų7948.1 Ų48.142%0.42225%0.246SC..  trans-150.4116.4179.8179.85.9000109.6T59 N63 E64T59-N61 VanDerWaalsContact C-N 3.26Å; T59-N61 VanDerWaalsContact CG2-O 3.31Å; T59-N61 WeakPolarHBondContact CG2-O 3.44Å; T59-N61 PolarHBondContact O-N 2.87Å; N61-N63 PolarHBondContact O-N 3.03Å; N61-N63 VanDerWaalsContact O-N 3.08Å; N61-N63 WeakPolarHBondContact OD1-CB 3.42Å; N61-N63 PolarHBondContact OD1-N 3.19Å; N61-E64 HydrophobicContact CB-CB 4.33Å; N61-E64 VanDerWaalsContact O-CB 3.27Å; N61-E64 WeakPolarHBondContact O-CB 2.96Å; N61-E64 PolarHBondContact O-N 3.2Å
62V97.5Very high97.3Very high17 Ų1748.2 Ų48.210%0.10325%0.246CC..THydrogen-bonded Turntrans-58.9-21.3176.969.20000112.8F40 L56 P72 L88 G92 A93F40-V62 HydrophobicContact CE1-CG2 4.05Å; F40-V62 HydrophobicContact CZ-CG2 4.32Å; L56-V62 HydrophobicContact CD1-CB 4.39Å; L56-V62 HydrophobicContact CD1-CG2 4.09Å; V62-P72 WeakPolarHBondContact O-CD 3.49Å; V62-L88 HydrophobicContact CG2-CD2 3.79Å; V62-G92 WeakPolarHBondContact CG1-O 3.5Å; V62-A93 HydrophobicContact CG2-CB 4.17Å
63N98.5Very high97.3Very high29 Ų2948.2 Ų48.216%0.15525%0.246CC..THydrogen-bonded Turntrans-99.710.6178-64.3-57.2000113.6N61 T65 G92 A93 S94 I97N61-N63 PolarHBondContact O-N 3.03Å; N61-N63 VanDerWaalsContact O-N 3.08Å; N61-N63 WeakPolarHBondContact OD1-CB 3.42Å; N61-N63 PolarHBondContact OD1-N 3.19Å; N63-T65 PolarHBondContact O-N 2.86Å; N63-G92 PolarHBondContact ND2-O 3.19Å; N63-A93 WeakPolarHBondContact OD1-CA 3.44Å; N63-S94 PolarHBondContact OD1-N 3.49Å; N63-I97 HydrophobicContact CB-CD1 3.56Å
64E97.4Very high97.3Very high44 Ų4444.3 Ų44.321%0.20623%0.228CC..  trans-55.1136.3173.6-177170.4-168.400109.8K32 N38 H41 N61 P72K32-E64 WeakPolarHBondContact CE-OE1 3.18Å; K32-E64 IonicContact NZ-OE1 2.66Å; K32-E64 PolarHBondContact NZ-OE1 3.02Å; N38-E64 PolarHBondContact ND2-OE2 3.14Å; H41-E64 PolarHBondContact CE1-O 3.45Å; H41-E64 PolarHBondContact NE2-O 3.4Å; H41-E64 VanDerWaalsContact NE2-O 3.13Å; N61-E64 HydrophobicContact CB-CB 4.33Å; N61-E64 VanDerWaalsContact O-CB 3.27Å; N61-E64 WeakPolarHBondContact O-CB 2.96Å; N61-E64 PolarHBondContact O-N 3.2Å; E64-P72 VanDerWaalsContact O-CD 3.3Å; E64-P72 WeakPolarHBondContact O-CD 3.44Å
65T98.1Very high97.3Very high55 Ų5543.7 Ų43.734%0.33723%0.226SC..  trans-104.8153-179.359.20000112.1N63 G69 W70 T71N63-T65 PolarHBondContact O-N 2.86Å; T65-G69 WeakPolarHBondContact CG2-O 3.45Å; T65-W70 WeakPolarHBondContact CA-O 3.35Å; T65-T71 HydrophobicContact CG2-CG2 3.75Å
66D97.7Very high97.3Very high12 Ų1243.6 Ų43.66%0.06423%0.226CC..  trans-73.7-177.1163.180.60.9000112.3S35 R37 L68 G69 W70S35-D66 WeakPolarHBondContact O-CB 3.48Å; R37-D66 HydrophobicContact CB-CB 4.5Å; R37-D66 HydrophobicContact CG-CB 3.48Å; R37-D66 VanDerWaalsContact CG-CB 3.48Å; D66-L68 PolarHBondContact O-N 3.41Å; D66-L68 WeakPolarHBondContact OD1-CA 3.21Å; D66-L68 WeakPolarHBondContact OD1-CB 3.48Å; D66-L68 PolarHBondContact OD1-N 2.88Å; D66-G69 PolarHBondContact O-N 3.22Å; D66-G69 PolarHBondContact OD1-N 2.94Å; D66-G69 VanDerWaalsContact OD1-N 3.11Å; D66-W70 PolarHBondContact N-O 3.34Å; D66-W70 WeakPolarHBondContact OD1-CB 3.5Å; D66-W70 PolarHBondContact OD1-N 2.74Å
67D98.4Very high97.4Very high103 Ų10342.1 Ų42.155%0.55122%0.218SC*.THydrogen-bonded Turntrans-66.9-18.9-176-63.3-20.7000113S35 G36 N100S35-D67 VanDerWaalsContact C-CG 3.48Å; S35-D67 WeakPolarHBondContact O-CB 3.39Å; S35-D67 PolarHBondContact O-N 2.87Å; G36-D67 WeakPolarHBondContact CA-OD1 3.4Å; G36-D67 PolarHBondContact N-OD2 3.15Å; D67-N100 PolarHBondContact O-ND2 3.24Å
68L98.2Very high97.5Very high105 Ų10538.4 Ų38.455%0.5520%0.195SC..THydrogen-bonded Turntrans-93.93175.7-63.8-179.5000112.4D66 N99 N100D66-L68 PolarHBondContact O-N 3.41Å; D66-L68 WeakPolarHBondContact OD1-CA 3.21Å; D66-L68 WeakPolarHBondContact OD1-CB 3.48Å; D66-L68 PolarHBondContact OD1-N 2.88Å; L68-N99 WeakPolarHBondContact O-CB 3.26Å; L68-N100 VanDerWaalsContact C-CG 3.48Å; L68-N100 WeakPolarHBondContact CA-ND2 3.5Å; L68-N100 VanDerWaalsContact O-CB 3.31Å; L68-N100 WeakPolarHBondContact O-CB 3.46Å; L68-N100 VanDerWaalsContact O-CG 3.26Å; L68-N100 PolarHBondContact O-N 2.91Å
69G98.3Very high97.7Very high6 Ų637.3 Ų37.36%0.06220%0.199CC..  trans80.113.9-178.700000113.6T65 D66 N99T65-G69 WeakPolarHBondContact CG2-O 3.45Å; D66-G69 PolarHBondContact O-N 3.22Å; D66-G69 PolarHBondContact OD1-N 2.94Å; D66-G69 VanDerWaalsContact OD1-N 3.11Å; G69-N99 VanDerWaalsContact C-CB 3.5Å; G69-N99 WeakPolarHBondContact O-CA 3.46Å; G69-N99 WeakPolarHBondContact O-CB 3.43Å
70W98.5Very high97.9Very high44 Ų4437.4 Ų37.417%0.16721%0.205CC..  trans-77.5129.5178.1-75.365.8000110.9H41 T65 D66 M74 T75 N99 Y108H41-W70 PolarHBondContact NE2-O 3.25Å; H41-W70 VanDerWaalsContact NE2-O 3.08Å; T65-W70 WeakPolarHBondContact CA-O 3.35Å; D66-W70 PolarHBondContact N-O 3.34Å; D66-W70 WeakPolarHBondContact OD1-CB 3.5Å; D66-W70 PolarHBondContact OD1-N 2.74Å; W70-M74 HydrophobicContact CD2-CB 4.29Å; W70-M74 HydrophobicContact CE3-CB 3.54Å; W70-M74 HydrophobicContact CZ3-CB 4.07Å; W70-T75 HydrophobicContact CE3-CG2 3.84Å; W70-T75 HydrophobicContact CZ3-CG2 4.46Å; W70-N99 PolarHBondContact NE1-ND2 3.32Å; W70-Y108 AromaticContact CE2-CZ 3.85Å; W70-Y108 HydrophobicContact CE3-CE2 4.49Å; W70-Y108 AromaticContact CH2-CD1 3.53Å; W70-Y108 HydrophobicContact CH2-CD1 3.53Å; W70-Y108 HydrophobicContact CH2-CD2 4.05Å; W70-Y108 AromaticContact CH2-CE1 3.24Å; W70-Y108 HydrophobicContact CH2-CE1 3.24Å; W70-Y108 AromaticContact CH2-CE2 3.77Å; W70-Y108 HydrophobicContact CH2-CE2 3.77Å; W70-Y108 AromaticContact CH2-CG 3.94Å; W70-Y108 HydrophobicContact CH2-CG 3.94Å; W70-Y108 AromaticContact CH2-CZ 3.37Å; W70-Y108 HydrophobicContact CZ2-CD1 4.15Å; W70-Y108 AromaticContact CZ2-CE1 3.37Å; W70-Y108 HydrophobicContact CZ2-CE1 3.37Å; W70-Y108 AromaticContact CZ2-CE2 3.85Å; W70-Y108 HydrophobicContact CZ2-CE2 3.85Å; W70-Y108 AromaticContact CZ2-CZ 3.19Å; W70-Y108 VanDerWaalsContact CZ2-OH 3.23Å; W70-Y108 WeakPolarHBondContact CZ2-OH 3.33Å; W70-Y108 HydrophobicContact CZ3-CD1 4.26Å; W70-Y108 HydrophobicContact CZ3-CD2 4.14Å; W70-Y108 HydrophobicContact CZ3-CE1 4.25Å; W70-Y108 HydrophobicContact CZ3-CE2 4.1Å; W70-Y108 HydrophobicContact CZ3-CG 4.23Å
71T98.5Very high98.3Very high1 Ų130.9 Ų30.91%0.00618%0.177CC..  trans-86.7162.2168.9670000110.9T65 L73 M74 T75 I97T65-T71 HydrophobicContact CG2-CG2 3.75Å; T71-L73 PolarHBondContact O-N 2.93Å; T71-L73 PolarHBondContact OG1-N 3.43Å; T71-M74 HydrophobicContact CG2-CE 4.39Å; T71-M74 WeakPolarHBondContact O-CB 3.32Å; T71-M74 PolarHBondContact O-N 3.19Å; T71-M74 WeakPolarHBondContact OG1-CG 3.31Å; T71-M74 PolarHBondContact OG1-N 3.4Å; T71-T75 PolarHBondContact O-N 2.96Å; T71-I97 HydrophobicContact CG2-CB 4.1Å; T71-I97 HydrophobicContact CG2-CD1 3.99Å; T71-I97 HydrophobicContact CG2-CG2 3.68Å
72P98.5Very high98.4Very high1 Ų129.8 Ų29.81%0.00617%0.168CC..Hα-helixtrans-55.8-31.4170.4-26.734.9000113.5F40 C44 V62 E64 T75 A76 L88F40-P72 HydrophobicContact CD1-CB 4.02Å; F40-P72 HydrophobicContact CD1-CG 3.65Å; F40-P72 HydrophobicContact CE1-CB 3.92Å; F40-P72 HydrophobicContact CE1-CG 3.86Å; C44-P72 HydrophobicContact CB-CB 4.19Å; V62-P72 WeakPolarHBondContact O-CD 3.49Å; E64-P72 VanDerWaalsContact O-CD 3.3Å; E64-P72 WeakPolarHBondContact O-CD 3.44Å; P72-T75 WeakPolarHBondContact CA-OG1 3.49Å; P72-T75 PolarHBondContact O-OG1 3.34Å; P72-A76 WeakPolarHBondContact O-CB 3.47Å; P72-A76 PolarHBondContact O-N 2.89Å; P72-A76 VanDerWaalsContact O-N 3.08Å; P72-L88 HydrophobicContact CB-CD1 4.16Å; P72-L88 HydrophobicContact CB-CD2 4.33Å
73L98.9Very high98.4Very high1 Ų136.6 Ų36.61%0.00519%0.192CC..Hα-helixtrans-66.6-42.7175.1-177.264.3000111.2T71 T75 A76 C77 V85 L88 I89 A93 S94 T95 A105 L121T71-L73 PolarHBondContact O-N 2.93Å; T71-L73 PolarHBondContact OG1-N 3.43Å; L73-T75 PolarHBondContact O-N 3.31Å; L73-A76 PolarHBondContact O-N 2.93Å; L73-C77 VanDerWaalsContact O-CB 3.26Å; L73-C77 WeakPolarHBondContact O-CB 3.46Å; L73-C77 PolarHBondContact O-N 3.02Å; L73-C77 PolarHBondContact O-SG 3.3Å; L73-V85 HydrophobicContact CD1-CB 4.39Å; L73-V85 HydrophobicContact CD1-CG1 3.97Å; L73-V85 HydrophobicContact CD1-CG2 4.39Å; L73-L88 HydrophobicContact CB-CD1 4.33Å; L73-L88 HydrophobicContact CD1-CB 4.23Å; L73-L88 HydrophobicContact CD1-CD1 4.38Å; L73-I89 HydrophobicContact CD1-CD1 4.35Å; L73-I89 HydrophobicContact CD1-CG1 4.02Å; L73-I89 HydrophobicContact CD2-CG1 4.34Å; L73-A93 HydrophobicContact CB-CB 4.21Å; L73-A93 HydrophobicContact CD2-CB 4.21Å; L73-S94 WeakPolarHBondContact CD2-O 3.38Å; L73-T95 HydrophobicContact CD2-CG2 4.16Å; L73-A105 HydrophobicContact CD2-CB 4.24Å; L73-A105 HydrophobicContact CG-CB 4.12Å; L73-L121 HydrophobicContact CD2-CD2 4.2Å
74M98.8Very high98.5Very high1 Ų135.2 Ų35.21%0.00519%0.185CC..Hα-helixtrans-63-41.9177.6-67.5175.9-171.400112.1W70 T71 C77 S78 I97 N99 Q103 A105 Y108W70-M74 HydrophobicContact CD2-CB 4.29Å; W70-M74 HydrophobicContact CE3-CB 3.54Å; W70-M74 HydrophobicContact CZ3-CB 4.07Å; T71-M74 HydrophobicContact CG2-CE 4.39Å; T71-M74 WeakPolarHBondContact O-CB 3.32Å; T71-M74 PolarHBondContact O-N 3.19Å; T71-M74 WeakPolarHBondContact OG1-CG 3.31Å; T71-M74 PolarHBondContact OG1-N 3.4Å; M74-C77 PolarHBondContact O-N 2.78Å; M74-S78 VanDerWaalsContact O-CB 3.3Å; M74-S78 WeakPolarHBondContact O-CB 3.32Å; M74-S78 PolarHBondContact O-N 2.92Å; M74-I97 HydrophobicContact CE-CB 4.35Å; M74-I97 HydrophobicContact CE-CG2 4.01Å; M74-I97 WeakPolarHBondContact CE-O 3.4Å; M74-N99 HydrophobicContact CE-CB 4.2Å; M74-N99 HydrophobicContact SD-CB 3.9Å; M74-Q103 WeakPolarHBondContact CE-O 3.39Å; M74-A105 HydrophobicContact CG-CB 4.23Å; M74-Y108 HydrophobicContact CB-CD2 4.35Å; M74-Y108 HydrophobicContact CG-CD2 4.47Å; M74-Y108 HydrophobicContact SD-CE2 4.4Å
75T98.2Very high98.5Very high14 Ų1433.1 Ų33.19%0.08618%0.175CC..Hα-helixtrans-64.6-46.4177.347.30000111.4W70 T71 P72 L73 C77 S78 A79W70-T75 HydrophobicContact CE3-CG2 3.84Å; W70-T75 HydrophobicContact CZ3-CG2 4.46Å; T71-T75 PolarHBondContact O-N 2.96Å; P72-T75 WeakPolarHBondContact CA-OG1 3.49Å; P72-T75 PolarHBondContact O-OG1 3.34Å; L73-T75 PolarHBondContact O-N 3.31Å; T75-C77 PolarHBondContact O-N 3.28Å; T75-S78 PolarHBondContact O-N 3.1Å; T75-A79 WeakPolarHBondContact O-CB 3.4Å; T75-A79 PolarHBondContact O-N 3.1Å
76A98.8Very high98.6Very high0 Ų033.5 Ų33.50%018%0.175CC..Hα-helixtrans-61.6-42.6176.100000112.7P72 L73 A79 G80 H81 V84 V85 L88P72-A76 WeakPolarHBondContact O-CB 3.47Å; P72-A76 PolarHBondContact O-N 2.89Å; P72-A76 VanDerWaalsContact O-N 3.08Å; L73-A76 PolarHBondContact O-N 2.93Å; A76-A79 PolarHBondContact O-N 2.78Å; A76-G80 PolarHBondContact O-N 3.28Å; A76-H81 PolarHBondContact O-N 2.85Å; A76-V84 HydrophobicContact CB-CB 4.2Å; A76-V84 HydrophobicContact CB-CG1 3.72Å; A76-V85 HydrophobicContact CB-CG2 3.88Å; A76-L88 HydrophobicContact CB-CD1 4.15Å
77C98.9Very high98.6Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-65.5-43.1176.7-73.70000112.3L73 M74 T75 A79 G80 V85 A105 A109 H114 I117L73-C77 VanDerWaalsContact O-CB 3.26Å; L73-C77 WeakPolarHBondContact O-CB 3.46Å; L73-C77 PolarHBondContact O-N 3.02Å; L73-C77 PolarHBondContact O-SG 3.3Å; M74-C77 PolarHBondContact O-N 2.78Å; T75-C77 PolarHBondContact O-N 3.28Å; C77-A79 VanDerWaalsContact C-N 3.31Å; C77-A79 PolarHBondContact O-N 3.46Å; C77-G80 PolarHBondContact O-N 3.12Å; C77-V85 HydrophobicContact CB-CG2 4.49Å; C77-V85 VanDerWaalsContact SG-CG2 3.54Å; C77-A105 HydrophobicContact CB-CB 4.25Å; C77-A109 HydrophobicContact CB-CB 4.33Å; C77-H114 PolarHBondContact O-CD2 3.12Å; C77-I117 HydrophobicContact CB-CG2 4.13Å
78S98.6Very high98.6Very high30 Ų3030.4 Ų30.421%0.2116%0.156CC..Hα-helixtrans-63.9-38176.8-177.60000111.8M74 T75 H114M74-S78 VanDerWaalsContact O-CB 3.3Å; M74-S78 WeakPolarHBondContact O-CB 3.32Å; M74-S78 PolarHBondContact O-N 2.92Å; T75-S78 PolarHBondContact O-N 3.1Å; S78-H114 PolarHBondContact O-NE2 3.47Å
79A98.3Very high98.7Very high41 Ų4126.5 Ų26.534%0.33914%0.136SC..Hα-helixtrans-80.9-12.7-179.700000114.3T75 A76 C77 H81T75-A79 WeakPolarHBondContact O-CB 3.4Å; T75-A79 PolarHBondContact O-N 3.1Å; A76-A79 PolarHBondContact O-N 2.78Å; C77-A79 VanDerWaalsContact C-N 3.31Å; C77-A79 PolarHBondContact O-N 3.46Å; A79-H81 WeakPolarHBondContact CB-NE2 3.41Å
80G98.7Very high98.7Very high24 Ų2430.2 Ų30.225%0.24717%0.165CC..THydrogen-bonded Turntrans82.324.8178.500000114.2A76 C77 K82 H114A76-G80 PolarHBondContact O-N 3.28Å; C77-G80 PolarHBondContact O-N 3.12Å; G80-K82 PolarHBondContact O-N 3.4Å; G80-K82 VanDerWaalsContact O-N 3.14Å; G80-H114 VanDerWaalsContact CA-NE2 3.34Å; G80-H114 WeakPolarHBondContact CA-NE2 3.41Å; G80-H114 PolarHBondContact N-NE2 2.88Å
81H98.7Very high98.7Very high41 Ų4131.4 Ų31.419%0.1918%0.175CC..  trans-89.973.4-174.9-61.4-24.7000111.9C44 S45 N47 A76 A79 R83 V84 V85C44-H81 PolarHBondContact O-CD2 3.21Å; S45-H81 PolarHBondContact O-NE2 3.04Å; N47-H81 HydrophobicContact CB-CB 4.39Å; N47-H81 PolarHBondContact N-CD2 3.45Å; A76-H81 PolarHBondContact O-N 2.85Å; A79-H81 WeakPolarHBondContact CB-NE2 3.41Å; H81-R83 VanDerWaalsContact C-N 3.33Å; H81-R83 PolarHBondContact O-N 3.2Å; H81-V84 HydrophobicContact CB-CB 4.09Å; H81-V84 HydrophobicContact CB-CG2 4.17Å; H81-V84 WeakPolarHBondContact O-CB 3.34Å; H81-V84 PolarHBondContact O-N 3.44Å; H81-V85 PolarHBondContact O-N 2.86Å
82K98.6Very high98.6Very high56 Ų5633.7 Ų33.724%0.24320%0.199CC..Hα-helixtrans-47.6-47.7-174.3-178.564.2167.578.80114.2G80 V84 V85 D86 D116 I117 T120G80-K82 PolarHBondContact O-N 3.4Å; G80-K82 VanDerWaalsContact O-N 3.14Å; K82-V84 VanDerWaalsContact C-N 3.32Å; K82-V84 PolarHBondContact O-N 3.24Å; K82-V85 WeakPolarHBondContact O-CB 3.48Å; K82-V85 PolarHBondContact O-N 3.42Å; K82-D86 IonicContact NZ-OD1 2.6Å; K82-D86 PolarHBondContact NZ-OD1 2.91Å; K82-D86 IonicContact NZ-OD2 2.7Å; K82-D86 PolarHBondContact NZ-OD2 3.19Å; K82-D86 VanDerWaalsContact O-CG 3.28Å; K82-D86 PolarHBondContact O-N 3.48Å; K82-D116 HydrophobicContact CD-CB 4.47Å; K82-I117 HydrophobicContact CB-CD1 4.48Å; K82-I117 HydrophobicContact CB-CG1 4.2Å; K82-I117 HydrophobicContact CD-CG1 3.69Å; K82-T120 WeakPolarHBondContact CE-OG1 3.41Å; K82-T120 PolarHBondContact NZ-OG1 3.28Å
83R98.7Very high98.7Very high161 Ų16134.1 Ų34.161%0.60820%0.202SC*.Hα-helixtrans-61.9-38.5179.8-176.4176.8170.1-172.2-6112.6M49 E53 H81 F87M49-R83 HydrophobicContact SD-CG 4.09Å; E53-R83 IonicContact OE1-NH2 2.63Å; H81-R83 VanDerWaalsContact C-N 3.33Å; H81-R83 PolarHBondContact O-N 3.2Å; R83-F87 WeakPolarHBondContact O-CB 3.15Å; R83-F87 PolarHBondContact O-N 2.88Å; R83-F87 VanDerWaalsContact O-N 3.13Å
84V98.9Very high98.6Very high0 Ų035.8 Ų35.80%021%0.214CC..Hα-helixtrans-69.7-41.9175.9176.20000110.2C44 M49 V52 A76 H81 K82 D86 F87 L88C44-V84 HydrophobicContact CB-CG1 3.88Å; M49-V84 HydrophobicContact SD-CG2 4.07Å; V52-V84 HydrophobicContact CG2-CG1 4.45Å; A76-V84 HydrophobicContact CB-CB 4.2Å; A76-V84 HydrophobicContact CB-CG1 3.72Å; H81-V84 HydrophobicContact CB-CB 4.09Å; H81-V84 HydrophobicContact CB-CG2 4.17Å; H81-V84 WeakPolarHBondContact O-CB 3.34Å; H81-V84 PolarHBondContact O-N 3.44Å; K82-V84 VanDerWaalsContact C-N 3.32Å; K82-V84 PolarHBondContact O-N 3.24Å; V84-D86 PolarHBondContact O-N 3.08Å; V84-F87 PolarHBondContact O-N 3.2Å; V84-L88 HydrophobicContact CG1-CD1 3.84Å; V84-L88 HydrophobicContact CG1-CG 4.18Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 VanDerWaalsContact O-CG 3.26Å; V84-L88 WeakPolarHBondContact O-CG 3.42Å; V84-L88 PolarHBondContact O-N 2.89Å
85V98.9Very high98.6Very high0 Ų036.3 Ų36.30%022%0.217CC..Hα-helixtrans-55.9-50.6175.1169.30000111.1L73 A76 C77 H81 K82 F87 L88 I89 I117 T120L73-V85 HydrophobicContact CD1-CB 4.39Å; L73-V85 HydrophobicContact CD1-CG1 3.97Å; L73-V85 HydrophobicContact CD1-CG2 4.39Å; A76-V85 HydrophobicContact CB-CG2 3.88Å; C77-V85 HydrophobicContact CB-CG2 4.49Å; C77-V85 VanDerWaalsContact SG-CG2 3.54Å; H81-V85 PolarHBondContact O-N 2.86Å; K82-V85 WeakPolarHBondContact O-CB 3.48Å; K82-V85 PolarHBondContact O-N 3.42Å; V85-F87 VanDerWaalsContact C-N 3.33Å; V85-F87 PolarHBondContact O-N 3.48Å; V85-L88 PolarHBondContact O-N 2.84Å; V85-I89 HydrophobicContact CG1-CD1 3.81Å; V85-I89 WeakPolarHBondContact O-CG1 3.26Å; V85-I89 PolarHBondContact O-N 3Å; V85-I117 HydrophobicContact CG1-CG2 4.23Å; V85-I117 HydrophobicContact CG2-CD1 4.06Å; V85-I117 HydrophobicContact CG2-CG1 4.38Å; V85-I117 HydrophobicContact CG2-CG2 4.24Å; V85-T120 HydrophobicContact CG1-CG2 4.43Å
86D98.8Very high98.6Very high62 Ų6239.8 Ų39.833%0.33224%0.239SC..Hα-helixtrans-60.2-45.1-179.8-66.5-19.5000111.5K82 V84 I89 A90 T120K82-D86 IonicContact NZ-OD1 2.6Å; K82-D86 PolarHBondContact NZ-OD1 2.91Å; K82-D86 IonicContact NZ-OD2 2.7Å; K82-D86 PolarHBondContact NZ-OD2 3.19Å; K82-D86 VanDerWaalsContact O-CG 3.28Å; K82-D86 PolarHBondContact O-N 3.48Å; V84-D86 PolarHBondContact O-N 3.08Å; D86-I89 PolarHBondContact O-N 3.38Å; D86-A90 WeakPolarHBondContact O-CB 3.38Å; D86-A90 PolarHBondContact O-N 3.48Å; D86-T120 WeakPolarHBondContact OD1-CG2 3.4Å
87F98.8Very high98.6Very high50 Ų5042.1 Ų42.122%0.21925%0.251CS..Hα-helixtrans-63.1-44.2178.2-177.4-94.8000112.2M49 V52 E53 L56 R83 V84 V85 A90 N91M49-F87 HydrophobicContact CE-CB 3.46Å; M49-F87 VanDerWaalsContact CE-CB 3.46Å; M49-F87 HydrophobicContact CE-CD1 3.75Å; M49-F87 HydrophobicContact CE-CD2 3.32Å; M49-F87 HydrophobicContact CE-CE1 4.28Å; M49-F87 HydrophobicContact CE-CE2 3.91Å; M49-F87 HydrophobicContact CE-CG 3.21Å; M49-F87 HydrophobicContact CE-CZ 4.36Å; M49-F87 HydrophobicContact SD-CB 4.47Å; V52-F87 HydrophobicContact CG1-CD1 3.8Å; V52-F87 HydrophobicContact CG1-CE1 3.87Å; E53-F87 HydrophobicContact CG-CE2 3.95Å; E53-F87 HydrophobicContact CG-CZ 3.89Å; L56-F87 HydrophobicContact CB-CE1 4.33Å; L56-F87 HydrophobicContact CD2-CE1 3.64Å; L56-F87 HydrophobicContact CD2-CZ 3.7Å; L56-F87 HydrophobicContact CG-CE1 4.48Å; R83-F87 WeakPolarHBondContact O-CB 3.15Å; R83-F87 PolarHBondContact O-N 2.88Å; R83-F87 VanDerWaalsContact O-N 3.13Å; V84-F87 PolarHBondContact O-N 3.2Å; V85-F87 VanDerWaalsContact C-N 3.33Å; V85-F87 PolarHBondContact O-N 3.48Å; F87-A90 PolarHBondContact O-N 2.88Å; F87-N91 WeakPolarHBondContact O-CB 3.4Å; F87-N91 PolarHBondContact O-N 3.48Å; F87-N91 VanDerWaalsContact O-N 3.12Å; F87-N91 PolarHBondContact O-ND2 3.49Å
88L98.8Very high98.6Very high0 Ų044.5 Ų44.50%027%0.271CS..Hα-helixtrans-62-46.6178.8-74.5173.8000111.3F40 C44 V62 P72 L73 A76 V84 V85 N91 G92 A93F40-L88 HydrophobicContact CE1-CD2 3.72Å; F40-L88 HydrophobicContact CZ-CD2 3.5Å; C44-L88 HydrophobicContact CB-CD1 4.47Å; V62-L88 HydrophobicContact CG2-CD2 3.79Å; P72-L88 HydrophobicContact CB-CD1 4.16Å; P72-L88 HydrophobicContact CB-CD2 4.33Å; L73-L88 HydrophobicContact CB-CD1 4.33Å; L73-L88 HydrophobicContact CD1-CB 4.23Å; L73-L88 HydrophobicContact CD1-CD1 4.38Å; A76-L88 HydrophobicContact CB-CD1 4.15Å; V84-L88 HydrophobicContact CG1-CD1 3.84Å; V84-L88 HydrophobicContact CG1-CG 4.18Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 VanDerWaalsContact O-CG 3.26Å; V84-L88 WeakPolarHBondContact O-CG 3.42Å; V84-L88 PolarHBondContact O-N 2.89Å; V85-L88 PolarHBondContact O-N 2.84Å; L88-N91 CarbonylContact O-C 3.56Å; L88-N91 PolarHBondContact O-N 3.2Å; L88-N91 VanDerWaalsContact O-N 3.1Å; L88-G92 PolarHBondContact O-N 3.44Å; L88-A93 VanDerWaalsContact C-CB 3.43Å; L88-A93 HydrophobicContact CB-CB 3.75Å; L88-A93 WeakPolarHBondContact O-CB 2.94Å; L88-A93 PolarHBondContact O-N 3.42Å
89I98.8Very high98.6Very high24 Ų2443.5 Ų43.512%0.12326%0.263CS..Hα-helixtrans-61.7-45.9178.4-69.3170.2000110.6L73 V85 D86 N91 G92 T95 T120 L121 N124L73-I89 HydrophobicContact CD1-CD1 4.35Å; L73-I89 HydrophobicContact CD1-CG1 4.02Å; L73-I89 HydrophobicContact CD2-CG1 4.34Å; V85-I89 HydrophobicContact CG1-CD1 3.81Å; V85-I89 WeakPolarHBondContact O-CG1 3.26Å; V85-I89 PolarHBondContact O-N 3Å; D86-I89 PolarHBondContact O-N 3.38Å; I89-N91 PolarHBondContact O-N 3.41Å; I89-N91 VanDerWaalsContact O-N 3.12Å; I89-G92 PolarHBondContact O-N 3.36Å; I89-G92 VanDerWaalsContact O-N 3.1Å; I89-T95 HydrophobicContact CD1-CG2 4.22Å; I89-T95 HydrophobicContact CG1-CG2 4.29Å; I89-T120 HydrophobicContact CD1-CG2 3.78Å; I89-L121 HydrophobicContact CD1-CD2 4.17Å; I89-N124 HydrophobicContact CD1-CB 4.43Å; I89-N124 HydrophobicContact CG2-CB 3.79Å; I89-N124 WeakPolarHBondContact CG2-OD1 3.42Å
90A98.5Very high98.6Very high83 Ų8345.4 Ų45.469%0.68627%0.267SS*.Hα-helixtrans-60.6-22.7176.800000113.3D86 F87D86-A90 WeakPolarHBondContact O-CB 3.38Å; D86-A90 PolarHBondContact O-N 3.48Å; F87-A90 PolarHBondContact O-N 2.88Å
91N98.5Very high98.6Very high70 Ų7048.7 Ų48.737%0.37428%0.279SS..THydrogen-bonded Turntrans-106.724.8178.9-70.2-84.2000113.2L56 F87 L88 I89L56-N91 HydrophobicContact CD1-CB 4.35Å; L56-N91 HydrophobicContact CD2-CB 3.72Å; L56-N91 VanDerWaalsContact CD2-CG 3.43Å; L56-N91 WeakPolarHBondContact CD2-OD1 3.27Å; F87-N91 WeakPolarHBondContact O-CB 3.4Å; F87-N91 PolarHBondContact O-N 3.48Å; F87-N91 VanDerWaalsContact O-N 3.12Å; F87-N91 PolarHBondContact O-ND2 3.49Å; L88-N91 CarbonylContact O-C 3.56Å; L88-N91 PolarHBondContact O-N 3.2Å; L88-N91 VanDerWaalsContact O-N 3.1Å; I89-N91 PolarHBondContact O-N 3.41Å; I89-N91 VanDerWaalsContact O-N 3.12Å
92G97.9Very high98.6Very high49 Ų4947.4 Ų47.451%0.50528%0.277SS..THydrogen-bonded Turntrans89.214.8168.600000115.6V62 N63 L88 I89 S94V62-G92 WeakPolarHBondContact CG1-O 3.5Å; N63-G92 PolarHBondContact ND2-O 3.19Å; L88-G92 PolarHBondContact O-N 3.44Å; I89-G92 PolarHBondContact O-N 3.36Å; I89-G92 VanDerWaalsContact O-N 3.1Å; G92-S94 PolarHBondContact O-N 2.98Å
93A98.7Very high98.6Very high9 Ų945.5 Ų45.57%0.07427%0.269CS..  trans-66.1128.117000000110.7V62 N63 L73 L88V62-A93 HydrophobicContact CG2-CB 4.17Å; N63-A93 WeakPolarHBondContact OD1-CA 3.44Å; L73-A93 HydrophobicContact CB-CB 4.21Å; L73-A93 HydrophobicContact CD2-CB 4.21Å; L88-A93 VanDerWaalsContact C-CB 3.43Å; L88-A93 HydrophobicContact CB-CB 3.75Å; L88-A93 WeakPolarHBondContact O-CB 2.94Å; L88-A93 PolarHBondContact O-N 3.42Å
94S98.7Very high98.6Very high37 Ų3738.3 Ų38.326%0.25924%0.243SC..  trans-81.8129.8-179.8176.50000111N63 L73 G92 T96N63-S94 PolarHBondContact OD1-N 3.49Å; L73-S94 WeakPolarHBondContact CD2-O 3.38Å; G92-S94 PolarHBondContact O-N 2.98Å; S94-T96 VanDerWaalsContact C-N 3.29Å; S94-T96 PolarHBondContact OG-N 3.42Å; S94-T96 PolarHBondContact OG-OG1 3.47Å
95T98.7Very high98.6Very high11 Ų1138.4 Ų38.47%0.06724%0.244CC..SBendtrans-81.3-8.8176.659.20000113.3L73 I89 L121 N124 A126L73-T95 HydrophobicContact CD2-CG2 4.16Å; I89-T95 HydrophobicContact CD1-CG2 4.22Å; I89-T95 HydrophobicContact CG1-CG2 4.29Å; T95-L121 HydrophobicContact CG2-CD2 3.81Å; T95-N124 HydrophobicContact CG2-CB 4.25Å; T95-N124 WeakPolarHBondContact CG2-O 3.37Å; T95-N124 PolarHBondContact OG1-O 3.24Å; T95-A126 PolarHBondContact OG1-N 3.29Å
96T98.4Very high98.6Very high87 Ų8738.5 Ų38.553%0.53425%0.245SC..SBendtrans-105.1-9.4-171.1620000114.4S94 A98S94-T96 VanDerWaalsContact C-N 3.29Å; S94-T96 PolarHBondContact OG-N 3.42Å; S94-T96 PolarHBondContact OG-OG1 3.47Å; T96-A98 PolarHBondContact O-N 3.02Å
97I98.7Very high98.6Very high49 Ų4935.6 Ų35.625%0.25123%0.229SC..  trans-62137.4175.6-65.4171.4000109.1N63 T71 M74 T104N63-I97 HydrophobicContact CB-CD1 3.56Å; T71-I97 HydrophobicContact CG2-CB 4.1Å; T71-I97 HydrophobicContact CG2-CD1 3.99Å; T71-I97 HydrophobicContact CG2-CG2 3.68Å; M74-I97 HydrophobicContact CE-CB 4.35Å; M74-I97 HydrophobicContact CE-CG2 4.01Å; M74-I97 WeakPolarHBondContact CE-O 3.4Å; I97-T104 WeakPolarHBondContact O-CA 3.42Å
98A98.6Very high98.6Very high51 Ų5134.3 Ų34.342%0.42122%0.223SC..BIsolated β-bridgetrans-115.5139.117500000109.4T96 Q103 T104T96-A98 PolarHBondContact O-N 3.02Å; A98-Q103 WeakPolarHBondContact CA-O 3.44Å; A98-T104 HydrophobicContact CB-CG2 4.17Å
99N98.7Very high98.6Very high9 Ų934.3 Ų34.35%0.04822%0.223CC..  trans-80-170.8178.972.33.5000112.1L68 G69 W70 M74 N101 G102 Q103 Y108L68-N99 WeakPolarHBondContact O-CB 3.26Å; G69-N99 VanDerWaalsContact C-CB 3.5Å; G69-N99 WeakPolarHBondContact O-CA 3.46Å; G69-N99 WeakPolarHBondContact O-CB 3.43Å; W70-N99 PolarHBondContact NE1-ND2 3.32Å; M74-N99 HydrophobicContact CE-CB 4.2Å; M74-N99 HydrophobicContact SD-CB 3.9Å; N99-N101 PolarHBondContact O-N 2.93Å; N99-N101 WeakPolarHBondContact OD1-CA 3.42Å; N99-N101 WeakPolarHBondContact OD1-CB 3.38Å; N99-N101 PolarHBondContact OD1-N 3.21Å; N99-G102 PolarHBondContact O-N 3.42Å; N99-G102 PolarHBondContact OD1-N 3.12Å; N99-Q103 PolarHBondContact N-O 3.47Å; N99-Q103 PolarHBondContact OD1-N 2.92Å; N99-Q103 PolarHBondContact OD1-O 3.05Å; N99-Y108 PolarHBondContact ND2-OH 3.13Å
100N98.6Very high98.6Very high81 Ų8133.1 Ų33.143%0.43322%0.217SC..THydrogen-bonded Turntrans-62.9-14.7-178.5-67.7-7.3000113.9D67 L68 K133D67-N100 PolarHBondContact O-ND2 3.24Å; L68-N100 VanDerWaalsContact C-CG 3.48Å; L68-N100 WeakPolarHBondContact CA-ND2 3.5Å; L68-N100 VanDerWaalsContact O-CB 3.31Å; L68-N100 WeakPolarHBondContact O-CB 3.46Å; L68-N100 VanDerWaalsContact O-CG 3.26Å; L68-N100 PolarHBondContact O-N 2.91Å; N100-K133 WeakPolarHBondContact O-CD 3.14Å; N100-K133 WeakPolarHBondContact O-CE 3.36Å; N100-K133 PolarHBondContact O-NZ 2.9Å
101N98.4Very high98.6Very high92 Ų9230.4 Ų30.449%0.49219%0.193SC..THydrogen-bonded Turntrans-96.35173.7-65.9-22.1000112.9N99 Q103 D132 K133N99-N101 PolarHBondContact O-N 2.93Å; N99-N101 WeakPolarHBondContact OD1-CA 3.42Å; N99-N101 WeakPolarHBondContact OD1-CB 3.38Å; N99-N101 PolarHBondContact OD1-N 3.21Å; N101-Q103 HydrophobicContact CB-CG 4.06Å; N101-Q103 PolarHBondContact O-N 3.45Å; N101-D132 WeakPolarHBondContact O-CB 3.44Å; N101-K133 WeakPolarHBondContact O-CB 3.09Å; N101-K133 WeakPolarHBondContact O-CG 3.48Å; N101-K133 PolarHBondContact O-N 3.26Å
102G98.5Very high98.6Very high14 Ų1433 Ų3314%0.14420%0.201CC..SBendtrans747.8-17300000113.4N99 D132N99-G102 PolarHBondContact O-N 3.42Å; N99-G102 PolarHBondContact OD1-N 3.12Å; G102-D132 WeakPolarHBondContact O-CA 3.48Å
103Q98.8Very high98.7Very high16 Ų1634.3 Ų34.38%0.07520%0.196CC..  trans-86.2131.3-176.6-60.8-175.6-96.900110.8M74 A98 N99 N101 H107 Y108 D132 R141M74-Q103 WeakPolarHBondContact CE-O 3.39Å; A98-Q103 WeakPolarHBondContact CA-O 3.44Å; N99-Q103 PolarHBondContact N-O 3.47Å; N99-Q103 PolarHBondContact OD1-N 2.92Å; N99-Q103 PolarHBondContact OD1-O 3.05Å; N101-Q103 HydrophobicContact CB-CG 4.06Å; N101-Q103 PolarHBondContact O-N 3.45Å; Q103-H107 HydrophobicContact CB-CB 4.15Å; Q103-Y108 HydrophobicContact CB-CE2 3.66Å; Q103-Y108 VanDerWaalsContact CD-OH 3.25Å; Q103-Y108 PolarHBondContact OE1-OH 3.3Å; Q103-D132 HydrophobicContact CG-CB 3.79Å; Q103-R141 VanDerWaalsContact NE2-NH2 3.16Å
104T98.8Very high98.7Very high10 Ų1036 Ų366%0.06120%0.203CC..BIsolated β-bridgetrans-92170.1173.365.50000111.6I97 A98 L106 H107 Y108 A130I97-T104 WeakPolarHBondContact O-CA 3.42Å; A98-T104 HydrophobicContact CB-CG2 4.17Å; T104-L106 PolarHBondContact O-N 3.18Å; T104-L106 VanDerWaalsContact O-N 3.17Å; T104-H107 PolarHBondContact N-ND1 3.17Å; T104-H107 WeakPolarHBondContact O-CB 3.23Å; T104-H107 PolarHBondContact O-N 2.97Å; T104-H107 PolarHBondContact OG1-ND1 3.19Å; T104-Y108 WeakPolarHBondContact O-CD2 3.3Å; T104-A130 HydrophobicContact CG2-CB 4.16Å
105A98.9Very high98.7Very high3 Ų336 Ų363%0.02520%0.201CC..Hα-helixtrans-53.1-35.7172.800000112.9L73 M74 C77 H107 Y108 A109 L121L73-A105 HydrophobicContact CD2-CB 4.24Å; L73-A105 HydrophobicContact CG-CB 4.12Å; M74-A105 HydrophobicContact CG-CB 4.23Å; C77-A105 HydrophobicContact CB-CB 4.25Å; A105-H107 PolarHBondContact O-N 3.37Å; A105-Y108 PolarHBondContact O-N 3.04Å; A105-A109 PolarHBondContact O-N 3.26Å; A105-L121 HydrophobicContact CB-CD1 4.1Å; A105-L121 HydrophobicContact CB-CD2 4.06Å
106L98.9Very high98.7Very high2 Ų239.4 Ų39.41%0.0122%0.218CC..Hα-helixtrans-63.9-37.4178.1-175.563.2000112.4T104 Y108 A110 V118 L121 L122 A126 A138 L154T104-L106 PolarHBondContact O-N 3.18Å; T104-L106 VanDerWaalsContact O-N 3.17Å; L106-Y108 VanDerWaalsContact C-N 3.31Å; L106-Y108 PolarHBondContact O-N 3.18Å; L106-A110 WeakPolarHBondContact O-CB 3.34Å; L106-A110 PolarHBondContact O-N 3.33Å; L106-V118 HydrophobicContact CD1-CB 4.35Å; L106-V118 HydrophobicContact CD1-CG1 3.96Å; L106-V118 HydrophobicContact CD1-CG2 4.17Å; L106-L121 HydrophobicContact CB-CD1 4.28Å; L106-L121 HydrophobicContact CD1-CB 4.31Å; L106-L121 HydrophobicContact CD1-CD1 4.31Å; L106-L122 HydrophobicContact CD1-CD2 4.29Å; L106-L122 HydrophobicContact CD1-CG 4.31Å; L106-L122 HydrophobicContact CD2-CD2 3.8Å; L106-A126 HydrophobicContact CB-CB 4.36Å; L106-A126 HydrophobicContact CD2-CB 4.3Å; L106-A138 HydrophobicContact CD2-CB 4.11Å; L106-A138 HydrophobicContact CG-CB 3.8Å; L106-L154 HydrophobicContact CD1-CD2 4.38Å; L106-L154 HydrophobicContact CD2-CD2 4.23Å
107H98.8Very high98.7Very high1 Ų135.2 Ų35.21%0.00519%0.193CC..Hα-helixtrans-60.9-41.6176.1-72.384.1000111.8Q103 T104 A105 S111 A130 A136Q103-H107 HydrophobicContact CB-CB 4.15Å; T104-H107 PolarHBondContact N-ND1 3.17Å; T104-H107 WeakPolarHBondContact O-CB 3.23Å; T104-H107 PolarHBondContact O-N 2.97Å; T104-H107 PolarHBondContact OG1-ND1 3.19Å; A105-H107 PolarHBondContact O-N 3.37Å; H107-S111 VanDerWaalsContact O-CB 3.28Å; H107-S111 WeakPolarHBondContact O-CB 3.33Å; H107-S111 PolarHBondContact O-N 2.97Å; H107-A130 PolarHBondContact CE1-O 2.6Å; H107-A130 PolarHBondContact NE2-O 2.7Å; H107-A136 PolarHBondContact NE2-O 2.76Å; H107-A136 VanDerWaalsContact NE2-O 3.12Å
108Y98.8Very high98.7Very high22 Ų2232.9 Ų32.99%0.08618%0.181CC..Hα-helixtrans-72-49.1-178.8-69.9-66.5000112.3W70 M74 N99 Q103 T104 A105 L106 A110 S111 K112W70-Y108 AromaticContact CE2-CZ 3.85Å; W70-Y108 HydrophobicContact CE3-CE2 4.49Å; W70-Y108 AromaticContact CH2-CD1 3.53Å; W70-Y108 HydrophobicContact CH2-CD1 3.53Å; W70-Y108 HydrophobicContact CH2-CD2 4.05Å; W70-Y108 AromaticContact CH2-CE1 3.24Å; W70-Y108 HydrophobicContact CH2-CE1 3.24Å; W70-Y108 AromaticContact CH2-CE2 3.77Å; W70-Y108 HydrophobicContact CH2-CE2 3.77Å; W70-Y108 AromaticContact CH2-CG 3.94Å; W70-Y108 HydrophobicContact CH2-CG 3.94Å; W70-Y108 AromaticContact CH2-CZ 3.37Å; W70-Y108 HydrophobicContact CZ2-CD1 4.15Å; W70-Y108 AromaticContact CZ2-CE1 3.37Å; W70-Y108 HydrophobicContact CZ2-CE1 3.37Å; W70-Y108 AromaticContact CZ2-CE2 3.85Å; W70-Y108 HydrophobicContact CZ2-CE2 3.85Å; W70-Y108 AromaticContact CZ2-CZ 3.19Å; W70-Y108 VanDerWaalsContact CZ2-OH 3.23Å; W70-Y108 WeakPolarHBondContact CZ2-OH 3.33Å; W70-Y108 HydrophobicContact CZ3-CD1 4.26Å; W70-Y108 HydrophobicContact CZ3-CD2 4.14Å; W70-Y108 HydrophobicContact CZ3-CE1 4.25Å; W70-Y108 HydrophobicContact CZ3-CE2 4.1Å; W70-Y108 HydrophobicContact CZ3-CG 4.23Å; M74-Y108 HydrophobicContact CB-CD2 4.35Å; M74-Y108 HydrophobicContact CG-CD2 4.47Å; M74-Y108 HydrophobicContact SD-CE2 4.4Å; N99-Y108 PolarHBondContact ND2-OH 3.13Å; Q103-Y108 HydrophobicContact CB-CE2 3.66Å; Q103-Y108 VanDerWaalsContact CD-OH 3.25Å; Q103-Y108 PolarHBondContact OE1-OH 3.3Å; T104-Y108 WeakPolarHBondContact O-CD2 3.3Å; A105-Y108 PolarHBondContact O-N 3.04Å; L106-Y108 VanDerWaalsContact C-N 3.31Å; L106-Y108 PolarHBondContact O-N 3.18Å; Y108-A110 VanDerWaalsContact C-N 3.29Å; Y108-A110 PolarHBondContact O-N 3.44Å; Y108-S111 PolarHBondContact O-N 3.23Å; Y108-K112 WeakPolarHBondContact O-CB 3.45Å; Y108-K112 WeakPolarHBondContact O-CG 3.46Å; Y108-K112 PolarHBondContact O-N 3.05Å
109A98.9Very high98.7Very high0 Ų032 Ų320%017%0.171CC..Hα-helixtrans-58.4-43.9176.200000111.4C77 A105 K112 N113 H114 I117 V118 L121C77-A109 HydrophobicContact CB-CB 4.33Å; A105-A109 PolarHBondContact O-N 3.26Å; A109-K112 PolarHBondContact O-N 3.15Å; A109-N113 PolarHBondContact O-N 2.63Å; A109-H114 HydrophobicContact CB-CB 4.43Å; A109-H114 PolarHBondContact O-N 3.1Å; A109-I117 HydrophobicContact CB-CB 4.32Å; A109-I117 HydrophobicContact CB-CG2 3.65Å; A109-V118 HydrophobicContact CB-CG2 3.84Å; A109-L121 HydrophobicContact CB-CD1 4.03Å
110A98.9Very high98.7Very high0 Ų032.2 Ų32.20%017%0.173CC..Hα-helixtrans-65.3-44179.300000112.8L106 Y108 K112 N113 V118 A138 A142 N147 V150 L154L106-A110 WeakPolarHBondContact O-CB 3.34Å; L106-A110 PolarHBondContact O-N 3.33Å; Y108-A110 VanDerWaalsContact C-N 3.29Å; Y108-A110 PolarHBondContact O-N 3.44Å; A110-K112 VanDerWaalsContact C-N 3.25Å; A110-K112 PolarHBondContact O-N 3.39Å; A110-N113 PolarHBondContact O-N 3.07Å; A110-V118 HydrophobicContact CB-CG2 4.3Å; A110-A138 HydrophobicContact CB-CB 3.86Å; A110-A142 HydrophobicContact CB-CB 4.38Å; A110-N147 PolarHBondContact O-ND2 3.35Å; A110-V150 HydrophobicContact CB-CG1 3.62Å; A110-L154 HydrophobicContact CB-CD1 4.46Å
111S98.6Very high98.8Very high26 Ų2628.3 Ų28.318%0.18215%0.152CC..Hα-helixtrans-65.9-27.4177.7-175.10000113.1H107 Y108 N147H107-S111 VanDerWaalsContact O-CB 3.28Å; H107-S111 WeakPolarHBondContact O-CB 3.33Å; H107-S111 PolarHBondContact O-N 2.97Å; Y108-S111 PolarHBondContact O-N 3.23Å; S111-N147 PolarHBondContact O-ND2 3.28Å
112K98.6Very high98.8Very high124 Ų12425.1 Ų25.154%0.53914%0.135SC..THydrogen-bonded Turntrans-98.76-177.2-64.4-63.7-171.4177.70114.2Y108 A109 A110 H114Y108-K112 WeakPolarHBondContact O-CB 3.45Å; Y108-K112 WeakPolarHBondContact O-CG 3.46Å; Y108-K112 PolarHBondContact O-N 3.05Å; A109-K112 PolarHBondContact O-N 3.15Å; A110-K112 VanDerWaalsContact C-N 3.25Å; A110-K112 PolarHBondContact O-N 3.39Å; K112-H114 VanDerWaalsContact C-N 3.33Å; K112-H114 WeakPolarHBondContact CB-NE2 3.4Å; K112-H114 PolarHBondContact O-N 3.42Å
113N98.6Very high98.8Very high76 Ų7631.5 Ų31.541%0.40616%0.161SC..THydrogen-bonded Turntrans66.825.2177.3-15935.4000115.2A109 A110 T115 N147A109-N113 PolarHBondContact O-N 2.63Å; A110-N113 PolarHBondContact O-N 3.07Å; N113-T115 VanDerWaalsContact C-N 3.31Å; N113-T115 PolarHBondContact O-N 3.42Å; N113-N147 HydrophobicContact CB-CB 4.2Å; N113-N147 WeakPolarHBondContact CB-OD1 3.48Å; N113-N147 PolarHBondContact N-ND2 2.92Å; N113-N147 WeakPolarHBondContact OD1-CB 3.44Å
114H98.8Very high98.8Very high46 Ų4634.4 Ų34.421%0.21318%0.177CC..  trans-8475.3178.6-58.7-45.4000110.6C77 S78 G80 A109 K112 D116 I117 V118C77-H114 PolarHBondContact O-CD2 3.12Å; S78-H114 PolarHBondContact O-NE2 3.47Å; G80-H114 VanDerWaalsContact CA-NE2 3.34Å; G80-H114 WeakPolarHBondContact CA-NE2 3.41Å; G80-H114 PolarHBondContact N-NE2 2.88Å; A109-H114 HydrophobicContact CB-CB 4.43Å; A109-H114 PolarHBondContact O-N 3.1Å; K112-H114 VanDerWaalsContact C-N 3.33Å; K112-H114 WeakPolarHBondContact CB-NE2 3.4Å; K112-H114 PolarHBondContact O-N 3.42Å; H114-D116 VanDerWaalsContact C-N 3.34Å; H114-D116 PolarHBondContact O-N 3Å; H114-I117 HydrophobicContact CB-CB 4.01Å; H114-I117 HydrophobicContact CB-CD1 4.01Å; H114-I117 HydrophobicContact CB-CG1 4.31Å; H114-I117 PolarHBondContact O-N 3.13Å; H114-V118 WeakPolarHBondContact O-CG2 3.33Å; H114-V118 PolarHBondContact O-N 3.14Å
115T98.8Very high98.7Very high37 Ų3736.3 Ų36.323%0.22720%0.199CC..Hα-helixtrans-62-38-169.7-57.20000113N113 V118 C119 V150 K153N113-T115 VanDerWaalsContact C-N 3.31Å; N113-T115 PolarHBondContact O-N 3.42Å; T115-V118 WeakPolarHBondContact O-CB 3.41Å; T115-V118 PolarHBondContact O-N 2.99Å; T115-C119 PolarHBondContact O-N 3.01Å; T115-C119 PolarHBondContact O-SG 2.93Å; T115-C119 VanDerWaalsContact O-SG 3.37Å; T115-V150 WeakPolarHBondContact OG1-CG2 3.41Å; T115-K153 HydrophobicContact CG2-CG 3.87Å
116D98.7Very high98.7Very high81 Ų8136.4 Ų36.443%0.43320%0.199SC..Hα-helixtrans-65.2-42.5176.661.7-27.8000112.5K82 H114 V118 C119 T120K82-D116 HydrophobicContact CD-CB 4.47Å; H114-D116 VanDerWaalsContact C-N 3.34Å; H114-D116 PolarHBondContact O-N 3Å; D116-V118 VanDerWaalsContact C-N 3.35Å; D116-C119 PolarHBondContact O-N 3.34Å; D116-T120 PolarHBondContact O-N 3.28Å; D116-T120 VanDerWaalsContact O-N 3.11Å; D116-T120 PolarHBondContact O-OG1 3.33Å
117I98.9Very high98.7Very high0 Ų041.7 Ų41.70%022%0.22CC..Hα-helixtrans-65.7-39.2174.1-68.3176.1000110.7C77 K82 V85 A109 H114 C119 T120 L121C77-I117 HydrophobicContact CB-CG2 4.13Å; K82-I117 HydrophobicContact CB-CD1 4.48Å; K82-I117 HydrophobicContact CB-CG1 4.2Å; K82-I117 HydrophobicContact CD-CG1 3.69Å; V85-I117 HydrophobicContact CG1-CG2 4.23Å; V85-I117 HydrophobicContact CG2-CD1 4.06Å; V85-I117 HydrophobicContact CG2-CG1 4.38Å; V85-I117 HydrophobicContact CG2-CG2 4.24Å; A109-I117 HydrophobicContact CB-CB 4.32Å; A109-I117 HydrophobicContact CB-CG2 3.65Å; H114-I117 HydrophobicContact CB-CB 4.01Å; H114-I117 HydrophobicContact CB-CD1 4.01Å; H114-I117 HydrophobicContact CB-CG1 4.31Å; H114-I117 PolarHBondContact O-N 3.13Å; I117-C119 VanDerWaalsContact C-N 3.34Å; I117-C119 PolarHBondContact O-N 3.37Å; I117-T120 PolarHBondContact O-N 3.31Å; I117-L121 HydrophobicContact CG2-CD1 3.96Å; I117-L121 HydrophobicContact CG2-CG 4.26Å; I117-L121 WeakPolarHBondContact O-CB 3.4Å; I117-L121 VanDerWaalsContact O-CG 3.3Å; I117-L121 WeakPolarHBondContact O-CG 3.36Å; I117-L121 PolarHBondContact O-N 3.35Å
118V98.9Very high98.7Very high0 Ų041.8 Ų41.80%022%0.221CC..Hα-helixtrans-58.1-46.9174.3165.50000110.8L106 A109 A110 H114 T115 D116 L121 L122 V150 K153 L154L106-V118 HydrophobicContact CD1-CB 4.35Å; L106-V118 HydrophobicContact CD1-CG1 3.96Å; L106-V118 HydrophobicContact CD1-CG2 4.17Å; A109-V118 HydrophobicContact CB-CG2 3.84Å; A110-V118 HydrophobicContact CB-CG2 4.3Å; H114-V118 WeakPolarHBondContact O-CG2 3.33Å; H114-V118 PolarHBondContact O-N 3.14Å; T115-V118 WeakPolarHBondContact O-CB 3.41Å; T115-V118 PolarHBondContact O-N 2.99Å; D116-V118 VanDerWaalsContact C-N 3.35Å; V118-L121 PolarHBondContact O-N 3.44Å; V118-L122 HydrophobicContact CG1-CD1 3.9Å; V118-L122 HydrophobicContact CG1-CG 4.45Å; V118-L122 VanDerWaalsContact O-CG 3.3Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 2.81Å; V118-V150 HydrophobicContact CG1-CG1 4.45Å; V118-V150 HydrophobicContact CG2-CG1 4.1Å; V118-V150 HydrophobicContact CG2-CG2 4.16Å; V118-K153 HydrophobicContact CG1-CB 4.42Å; V118-L154 HydrophobicContact CG1-CD2 4.48Å
119C98.8Very high98.6Very high32 Ų3240.9 Ų40.922%0.21622%0.219CC..Hα-helixtrans-57.3-51.3175.6-670000111.5T115 D116 I117 L121 L122 E123T115-C119 PolarHBondContact O-N 3.01Å; T115-C119 PolarHBondContact O-SG 2.93Å; T115-C119 VanDerWaalsContact O-SG 3.37Å; D116-C119 PolarHBondContact O-N 3.34Å; I117-C119 VanDerWaalsContact C-N 3.34Å; I117-C119 PolarHBondContact O-N 3.37Å; C119-L121 VanDerWaalsContact C-N 3.32Å; C119-L121 PolarHBondContact O-N 2.96Å; C119-L122 PolarHBondContact O-N 3.06Å; C119-E123 WeakPolarHBondContact O-CB 3.41Å; C119-E123 VanDerWaalsContact O-CG 3.27Å; C119-E123 WeakPolarHBondContact O-CG 3.41Å; C119-E123 PolarHBondContact O-N 3.35Å
120T98.8Very high98.6Very high13 Ų1341.8 Ų41.88%0.0823%0.226CC..Hα-helixtrans-58.1-42.7179.3-63.50000112.5K82 V85 D86 I89 D116 I117 E123 N124K82-T120 WeakPolarHBondContact CE-OG1 3.41Å; K82-T120 PolarHBondContact NZ-OG1 3.28Å; V85-T120 HydrophobicContact CG1-CG2 4.43Å; D86-T120 WeakPolarHBondContact OD1-CG2 3.4Å; I89-T120 HydrophobicContact CD1-CG2 3.78Å; D116-T120 PolarHBondContact O-N 3.28Å; D116-T120 VanDerWaalsContact O-N 3.11Å; D116-T120 PolarHBondContact O-OG1 3.33Å; I117-T120 PolarHBondContact O-N 3.31Å; T120-E123 PolarHBondContact O-N 3.31Å; T120-N124 WeakPolarHBondContact O-CB 3.3Å; T120-N124 PolarHBondContact O-N 3.17Å; T120-N124 PolarHBondContact O-ND2 3.35Å
121L98.9Very high98.6Very high0 Ų046.2 Ų46.20%025%0.245CC..Hα-helixtrans-62.4-46.3177.8-73.2172.6000111.5L73 I89 T95 A105 L106 A109 I117 V118 C119 N124 G125 A126L73-L121 HydrophobicContact CD2-CD2 4.2Å; I89-L121 HydrophobicContact CD1-CD2 4.17Å; T95-L121 HydrophobicContact CG2-CD2 3.81Å; A105-L121 HydrophobicContact CB-CD1 4.1Å; A105-L121 HydrophobicContact CB-CD2 4.06Å; L106-L121 HydrophobicContact CB-CD1 4.28Å; L106-L121 HydrophobicContact CD1-CB 4.31Å; L106-L121 HydrophobicContact CD1-CD1 4.31Å; A109-L121 HydrophobicContact CB-CD1 4.03Å; I117-L121 HydrophobicContact CG2-CD1 3.96Å; I117-L121 HydrophobicContact CG2-CG 4.26Å; I117-L121 WeakPolarHBondContact O-CB 3.4Å; I117-L121 VanDerWaalsContact O-CG 3.3Å; I117-L121 WeakPolarHBondContact O-CG 3.36Å; I117-L121 PolarHBondContact O-N 3.35Å; V118-L121 PolarHBondContact O-N 3.44Å; C119-L121 VanDerWaalsContact C-N 3.32Å; C119-L121 PolarHBondContact O-N 2.96Å; L121-N124 CarbonylContact O-C 3.54Å; L121-N124 VanDerWaalsContact O-C 3.31Å; L121-N124 PolarHBondContact O-N 3.18Å; L121-G125 PolarHBondContact O-N 2.9Å; L121-A126 VanDerWaalsContact C-CB 3.46Å; L121-A126 HydrophobicContact CB-CB 3.81Å; L121-A126 WeakPolarHBondContact O-CB 3.43Å; L121-A126 PolarHBondContact O-N 3.33Å
122L98.8Very high98.6Very high25 Ų2545.5 Ų45.513%0.13124%0.239CC..Hα-helixtrans-64.3-40.6179.1-67.6172.5000112L106 V118 C119 N124 G125 A128 L154 N157L106-L122 HydrophobicContact CD1-CD2 4.29Å; L106-L122 HydrophobicContact CD1-CG 4.31Å; L106-L122 HydrophobicContact CD2-CD2 3.8Å; V118-L122 HydrophobicContact CG1-CD1 3.9Å; V118-L122 HydrophobicContact CG1-CG 4.45Å; V118-L122 VanDerWaalsContact O-CG 3.3Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 2.81Å; C119-L122 PolarHBondContact O-N 3.06Å; L122-N124 PolarHBondContact O-N 3.36Å; L122-G125 PolarHBondContact O-N 3.04Å; L122-A128 HydrophobicContact CD2-CB 3.94Å; L122-L154 HydrophobicContact CD1-CD2 4.26Å; L122-L154 HydrophobicContact CD2-CD2 4.43Å; L122-N157 HydrophobicContact CD1-CB 4.34Å
123E98.4Very high98.6Very high147 Ų14746.9 Ų46.969%0.68725%0.246SC*.Hα-helixtrans-63.1-28.8174.9-72.2162.6-175.100112.3C119 T120C119-E123 WeakPolarHBondContact O-CB 3.41Å; C119-E123 VanDerWaalsContact O-CG 3.27Å; C119-E123 WeakPolarHBondContact O-CG 3.41Å; C119-E123 PolarHBondContact O-N 3.35Å; T120-E123 PolarHBondContact O-N 3.31Å
124N98.6Very high98.5Very high77 Ų7748.4 Ų48.441%0.41225%0.253SS..THydrogen-bonded Turntrans-104.434.5179.5-68.1-87.1000112.6I89 T95 T120 L121 L122 A126I89-N124 HydrophobicContact CD1-CB 4.43Å; I89-N124 HydrophobicContact CG2-CB 3.79Å; I89-N124 WeakPolarHBondContact CG2-OD1 3.42Å; T95-N124 HydrophobicContact CG2-CB 4.25Å; T95-N124 WeakPolarHBondContact CG2-O 3.37Å; T95-N124 PolarHBondContact OG1-O 3.24Å; T120-N124 WeakPolarHBondContact O-CB 3.3Å; T120-N124 PolarHBondContact O-N 3.17Å; T120-N124 PolarHBondContact O-ND2 3.35Å; L121-N124 CarbonylContact O-C 3.54Å; L121-N124 VanDerWaalsContact O-C 3.31Å; L121-N124 PolarHBondContact O-N 3.18Å; L122-N124 PolarHBondContact O-N 3.36Å; N124-A126 PolarHBondContact O-N 3.3Å
125G97.5Very high98.5Very high51 Ų5146.9 Ų46.953%0.52625%0.25SC..THydrogen-bonded Turntrans80.812.1165.900000116.1L121 L122 Y127L121-G125 PolarHBondContact O-N 2.9Å; L122-G125 PolarHBondContact O-N 3.04Å; G125-Y127 PolarHBondContact O-N 3.18Å
126A98.7Very high98.5Very high4 Ų445.5 Ų45.53%0.03324%0.242CC..  trans-63.8124.7170.500000110.1T95 L106 L121 N124 A128T95-A126 PolarHBondContact OG1-N 3.29Å; L106-A126 HydrophobicContact CB-CB 4.36Å; L106-A126 HydrophobicContact CD2-CB 4.3Å; L121-A126 VanDerWaalsContact C-CB 3.46Å; L121-A126 HydrophobicContact CB-CB 3.81Å; L121-A126 WeakPolarHBondContact O-CB 3.43Å; L121-A126 PolarHBondContact O-N 3.33Å; N124-A126 PolarHBondContact O-N 3.3Å; A126-A128 PolarHBondContact O-N 2.9Å
127Y98.6Very high98.5Very high113 Ų11341.7 Ų41.744%0.44322%0.222SC..  trans-78.2114.1-179.5-178.3-123.6000111.4G125 G129 A130 D159G125-Y127 PolarHBondContact O-N 3.18Å; Y127-G129 VanDerWaalsContact CE1-CA 3.49Å; Y127-G129 PolarHBondContact O-N 3.34Å; Y127-A130 HydrophobicContact CD1-CB 4.05Å; Y127-A130 WeakPolarHBondContact O-CB 3.28Å; Y127-A130 PolarHBondContact O-N 3.31Å; Y127-D159 HydrophobicContact CD2-CB 3.82Å; Y127-D159 HydrophobicContact CE2-CB 3.65Å
128A98.5Very high98.5Very high3 Ų341.8 Ų41.83%0.02522%0.223CC..THydrogen-bonded Turntrans-64.4-26.7-178.700000113.7L122 A126 A130 L154 N157 D159L122-A128 HydrophobicContact CD2-CB 3.94Å; A126-A128 PolarHBondContact O-N 2.9Å; A128-A130 VanDerWaalsContact C-N 3.32Å; A128-L154 HydrophobicContact CB-CD2 4.3Å; A128-N157 HydrophobicContact CB-CB 4.43Å; A128-D159 HydrophobicContact CB-CB 4.35Å
129G98.4Very high98.5Very high4 Ų441.9 Ų41.94%0.04122%0.223CC..THydrogen-bonded Turntrans-84.11.7177.600000114.9Y127 K131 D159Y127-G129 VanDerWaalsContact CE1-CA 3.49Å; Y127-G129 PolarHBondContact O-N 3.34Å; G129-K131 PolarHBondContact O-N 2.9Å; G129-D159 PolarHBondContact N-O 3.46Å
130A98.6Very high98.5Very high19 Ų1940.4 Ų40.416%0.15721%0.213CC..  trans-58.8132.7179.200000110.2T104 H107 Y127 A128 T137T104-A130 HydrophobicContact CG2-CB 4.16Å; H107-A130 PolarHBondContact CE1-O 2.6Å; H107-A130 PolarHBondContact NE2-O 2.7Å; Y127-A130 HydrophobicContact CD1-CB 4.05Å; Y127-A130 WeakPolarHBondContact O-CB 3.28Å; Y127-A130 PolarHBondContact O-N 3.31Å; A128-A130 VanDerWaalsContact C-N 3.32Å; A130-T137 WeakPolarHBondContact O-CA 3.34Å
131K98.5Very high98.5Very high93 Ų9342.9 Ų42.940%0.40422%0.221SC..BIsolated β-bridgetrans-108136.1177.9-69.6-172.2174.7-162.90110.5G129 G135 A136 T137 T164 T165G129-K131 PolarHBondContact O-N 2.9Å; K131-G135 WeakPolarHBondContact CD-O 3.39Å; K131-G135 WeakPolarHBondContact CG-O 3.41Å; K131-A136 WeakPolarHBondContact CA-O 3.34Å; K131-T137 HydrophobicContact CG-CG2 3.86Å; K131-T164 WeakPolarHBondContact CE-OG1 3.03Å; K131-T164 PolarHBondContact NZ-OG1 3.33Å; K131-T165 PolarHBondContact NZ-O 2.77Å
132D98.6Very high98.5Very high10 Ų1042.9 Ų42.95%0.05322%0.221CC..  trans-77-177.4167.867.631.6000112.2N101 G102 Q103 L134 G135 A136 R141N101-D132 WeakPolarHBondContact O-CB 3.44Å; G102-D132 WeakPolarHBondContact O-CA 3.48Å; Q103-D132 HydrophobicContact CG-CB 3.79Å; D132-L134 PolarHBondContact O-N 3.34Å; D132-L134 WeakPolarHBondContact OD1-CA 3Å; D132-L134 WeakPolarHBondContact OD1-CB 3.27Å; D132-L134 PolarHBondContact OD1-N 3.11Å; D132-G135 WeakPolarHBondContact O-CA 3.42Å; D132-G135 PolarHBondContact O-N 2.95Å; D132-G135 PolarHBondContact OD1-N 3.27Å; D132-A136 VanDerWaalsContact CG-O 3.3Å; D132-A136 PolarHBondContact N-O 2.86Å; D132-A136 PolarHBondContact OD1-N 3.25Å; D132-R141 IonicContact OD2-CZ 3.25Å; D132-R141 VanDerWaalsContact OD2-CZ 3.25Å; D132-R141 IonicContact OD2-NE 3.1Å; D132-R141 PolarHBondContact OD2-NE 3.48Å; D132-R141 VanDerWaalsContact OD2-NE 3.1Å; D132-R141 IonicContact OD2-NH2 3.06Å; D132-R141 PolarHBondContact OD2-NH2 3.05Å
133K98.3Very high98.5Very high154 Ų15441.7 Ų41.767%0.6721%0.214SC*.THydrogen-bonded Turntrans-63.5-20.3-179-79.6-172.5173.9176.20114.2N100 N101 G135N100-K133 WeakPolarHBondContact O-CD 3.14Å; N100-K133 WeakPolarHBondContact O-CE 3.36Å; N100-K133 PolarHBondContact O-NZ 2.9Å; N101-K133 WeakPolarHBondContact O-CB 3.09Å; N101-K133 WeakPolarHBondContact O-CG 3.48Å; N101-K133 PolarHBondContact O-N 3.26Å; K133-G135 VanDerWaalsContact C-N 3.25Å
134L97.4Very high98.5Very high108 Ų10835.7 Ų35.757%0.56519%0.189SC*.THydrogen-bonded Turntrans-89.76.9173-57177.8000111.2D132 A136 D166 S167D132-L134 PolarHBondContact O-N 3.34Å; D132-L134 WeakPolarHBondContact OD1-CA 3Å; D132-L134 WeakPolarHBondContact OD1-CB 3.27Å; D132-L134 PolarHBondContact OD1-N 3.11Å; L134-A136 PolarHBondContact O-N 3.42Å; L134-D166 CarbonylContact O-C 3.31Å; L134-D166 VanDerWaalsContact O-CB 3.3Å; L134-D166 WeakPolarHBondContact O-CB 3.13Å; L134-S167 WeakPolarHBondContact O-CB 3.49Å; L134-S167 PolarHBondContact O-N 3.21Å; L134-S167 PolarHBondContact O-OG 3.26Å
135G97.9Very high98.5Very high14 Ų1437.5 Ų37.514%0.14419%0.193CC..SBendtrans73.82.1-176.400000114K131 D132 K133K131-G135 WeakPolarHBondContact CD-O 3.39Å; K131-G135 WeakPolarHBondContact CG-O 3.41Å; D132-G135 WeakPolarHBondContact O-CA 3.42Å; D132-G135 PolarHBondContact O-N 2.95Å; D132-G135 PolarHBondContact OD1-N 3.27Å; K133-G135 VanDerWaalsContact C-N 3.25Å
136A98.4Very high98.5Very high7 Ų736.5 Ų36.56%0.05818%0.183CC..  trans-79.8140.8-177.500000110.3H107 K131 D132 L134 H140 D166H107-A136 PolarHBondContact NE2-O 2.76Å; H107-A136 VanDerWaalsContact NE2-O 3.12Å; K131-A136 WeakPolarHBondContact CA-O 3.34Å; D132-A136 VanDerWaalsContact CG-O 3.3Å; D132-A136 PolarHBondContact N-O 2.86Å; D132-A136 PolarHBondContact OD1-N 3.25Å; L134-A136 PolarHBondContact O-N 3.42Å; A136-H140 HydrophobicContact CB-CB 3.97Å; A136-D166 HydrophobicContact CB-CB 4.33Å
137T98.8Very high98.5Very high2 Ų237.2 Ų37.21%0.01219%0.186CC..BIsolated β-bridgetrans-97.4173.1174.266.80000111.3A130 K131 L139 H140 R141 T164A130-T137 WeakPolarHBondContact O-CA 3.34Å; K131-T137 HydrophobicContact CG-CG2 3.86Å; T137-L139 PolarHBondContact O-N 2.88Å; T137-L139 PolarHBondContact OG1-N 3.1Å; T137-H140 PolarHBondContact N-ND1 3.38Å; T137-H140 VanDerWaalsContact N-ND1 3.18Å; T137-H140 WeakPolarHBondContact O-CB 3.22Å; T137-H140 PolarHBondContact O-N 2.95Å; T137-H140 VanDerWaalsContact O-N 3.1Å; T137-H140 PolarHBondContact OG1-ND1 3.49Å; T137-R141 PolarHBondContact O-N 3.18Å; T137-T164 HydrophobicContact CG2-CG2 3.74Å
138A98.7Very high98.5Very high2 Ų232.9 Ų32.92%0.01718%0.176CC..Hα-helixtrans-55.8-33.7170.400000112.8L106 A110 R141 A142 L154L106-A138 HydrophobicContact CD2-CB 4.11Å; L106-A138 HydrophobicContact CG-CB 3.8Å; A110-A138 HydrophobicContact CB-CB 3.86Å; A138-R141 PolarHBondContact O-N 3.36Å; A138-A142 WeakPolarHBondContact O-CB 3.3Å; A138-A142 PolarHBondContact O-N 3.25Å; A138-L154 HydrophobicContact CB-CD1 4.07Å; A138-L154 HydrophobicContact CB-CD2 4.28Å
139L98.9Very high98.5Very high2 Ų234.1 Ų34.11%0.0119%0.189CC..Hα-helixtrans-65.2-41.2176.1-175.367.1000111.8T137 R141 A142 A143 V151 L154 L155 L162 A172 L188T137-L139 PolarHBondContact O-N 2.88Å; T137-L139 PolarHBondContact OG1-N 3.1Å; L139-R141 VanDerWaalsContact C-N 3.35Å; L139-R141 PolarHBondContact O-N 3.22Å; L139-A142 PolarHBondContact O-N 2.93Å; L139-A143 WeakPolarHBondContact O-CB 3.18Å; L139-A143 PolarHBondContact O-N 3.38Å; L139-V151 HydrophobicContact CD1-CB 4.46Å; L139-V151 HydrophobicContact CD1-CG1 4.09Å; L139-V151 HydrophobicContact CD1-CG2 4.25Å; L139-L154 HydrophobicContact CB-CD1 4.25Å; L139-L154 HydrophobicContact CD1-CB 4.16Å; L139-L154 HydrophobicContact CD1-CD1 4.32Å; L139-L155 HydrophobicContact CD1-CD2 4.34Å; L139-L155 HydrophobicContact CD1-CG 4.43Å; L139-L155 HydrophobicContact CD2-CD2 4.22Å; L139-L162 HydrophobicContact CD2-CD1 4.17Å; L139-A172 HydrophobicContact CD2-CB 3.97Å; L139-A172 HydrophobicContact CG-CB 3.78Å; L139-L188 HydrophobicContact CD1-CD2 4.22Å; L139-L188 HydrophobicContact CD2-CD2 4.15Å; L139-L188 HydrophobicContact CG-CD2 4.44Å
140H98.8Very high98.5Very high1 Ų134 Ų341%0.00519%0.187CC..Hα-helixtrans-57.6-49.2174.8-71.780.7000110.9A136 T137 A143 S144 T164 N170 T171 A172 M175A136-H140 HydrophobicContact CB-CB 3.97Å; T137-H140 PolarHBondContact N-ND1 3.38Å; T137-H140 VanDerWaalsContact N-ND1 3.18Å; T137-H140 WeakPolarHBondContact O-CB 3.22Å; T137-H140 PolarHBondContact O-N 2.95Å; T137-H140 VanDerWaalsContact O-N 3.1Å; T137-H140 PolarHBondContact OG1-ND1 3.49Å; H140-A143 PolarHBondContact O-N 3.17Å; H140-S144 WeakPolarHBondContact O-CB 3.5Å; H140-S144 PolarHBondContact O-N 3.31Å; H140-T164 PolarHBondContact CE1-O 2.86Å; H140-T164 VanDerWaalsContact CE1-O 3.25Å; H140-T164 PolarHBondContact NE2-O 3.04Å; H140-N170 PolarHBondContact NE2-O 3.03Å; H140-N170 VanDerWaalsContact NE2-O 3.11Å; H140-T171 WeakPolarHBondContact NE2-CA 3.39Å; H140-A172 PolarHBondContact CD2-N 3.04Å; H140-A172 PolarHBondContact NE2-N 3.2Å; H140-M175 HydrophobicContact CB-CE 4.3Å; H140-M175 HydrophobicContact CB-SD 3.71Å
141R98.5Very high98.6Very high64 Ų6433 Ų3324%0.24218%0.18CC..Hα-helixtrans-64.6-44.6-179.3-63.5-173.6174.2-89.3-0.6112.3Q103 D132 T137 A138 L139 A143 K145Q103-R141 VanDerWaalsContact NE2-NH2 3.16Å; D132-R141 IonicContact OD2-CZ 3.25Å; D132-R141 VanDerWaalsContact OD2-CZ 3.25Å; D132-R141 IonicContact OD2-NE 3.1Å; D132-R141 PolarHBondContact OD2-NE 3.48Å; D132-R141 VanDerWaalsContact OD2-NE 3.1Å; D132-R141 IonicContact OD2-NH2 3.06Å; D132-R141 PolarHBondContact OD2-NH2 3.05Å; T137-R141 PolarHBondContact O-N 3.18Å; A138-R141 PolarHBondContact O-N 3.36Å; L139-R141 VanDerWaalsContact C-N 3.35Å; L139-R141 PolarHBondContact O-N 3.22Å; R141-A143 VanDerWaalsContact C-N 3.34Å; R141-K145 WeakPolarHBondContact O-CB 3.39Å; R141-K145 WeakPolarHBondContact O-CG 3.39Å; R141-K145 PolarHBondContact O-N 2.83Å
142A98.9Very high98.6Very high0 Ų033.4 Ų33.40%018%0.183CC..Hα-helixtrans-64.2-40.3176.700000111.8A110 A138 L139 K145 G146 N147 V150 V151 L154A110-A142 HydrophobicContact CB-CB 4.38Å; A138-A142 WeakPolarHBondContact O-CB 3.3Å; A138-A142 PolarHBondContact O-N 3.25Å; L139-A142 PolarHBondContact O-N 2.93Å; A142-K145 PolarHBondContact O-N 2.94Å; A142-G146 PolarHBondContact O-N 3.32Å; A142-N147 HydrophobicContact CB-CB 4.25Å; A142-N147 PolarHBondContact O-N 3.2Å; A142-V150 HydrophobicContact CB-CB 4.16Å; A142-V150 HydrophobicContact CB-CG1 3.56Å; A142-V151 HydrophobicContact CB-CG2 3.78Å; A142-L154 HydrophobicContact CB-CD1 4.3Å
143A98.9Very high98.6Very high0 Ų036.8 Ų36.80%020%0.197CC..Hα-helixtrans-67.5-49.5-17900000112.2L139 H140 R141 K145 G146 A172 A176 R181 I184 L188L139-A143 WeakPolarHBondContact O-CB 3.18Å; L139-A143 PolarHBondContact O-N 3.38Å; H140-A143 PolarHBondContact O-N 3.17Å; R141-A143 VanDerWaalsContact C-N 3.34Å; A143-K145 PolarHBondContact O-N 3.32Å; A143-G146 PolarHBondContact O-N 3.21Å; A143-G146 VanDerWaalsContact O-N 3.09Å; A143-A172 HydrophobicContact CB-CB 3.89Å; A143-A172 WeakPolarHBondContact CB-O 3.49Å; A143-A176 HydrophobicContact CB-CB 4.44Å; A143-R181 WeakPolarHBondContact O-CG 3.06Å; A143-I184 HydrophobicContact CB-CG2 3.73Å; A143-L188 HydrophobicContact CB-CD1 4.26Å
144S98.5Very high98.6Very high21 Ų2129.4 Ų29.415%0.14717%0.165CC..Hα-helixtrans-54.9-39.4174.61700000112.1H140 R181H140-S144 WeakPolarHBondContact O-CB 3.5Å; H140-S144 PolarHBondContact O-N 3.31Å; S144-R181 PolarHBondContact O-NE 2.79Å
145K98.5Very high98.7Very high116 Ų11626.5 Ų26.550%0.50415%0.15SC..Hα-helixtrans-83-8.7-180-63.2-57.2177.5-162.20115R141 A142 A143R141-K145 WeakPolarHBondContact O-CB 3.39Å; R141-K145 WeakPolarHBondContact O-CG 3.39Å; R141-K145 PolarHBondContact O-N 2.83Å; A142-K145 PolarHBondContact O-N 2.94Å; A143-K145 PolarHBondContact O-N 3.32Å
146G98.5Very high98.7Very high30 Ų3030 Ų3031%0.30918%0.177SC..THydrogen-bonded Turntrans79.220.8-179.200000114.6A142 A143 G148A142-G146 PolarHBondContact O-N 3.32Å; A143-G146 PolarHBondContact O-N 3.21Å; A143-G146 VanDerWaalsContact O-N 3.09Å; G146-G148 PolarHBondContact O-N 2.84Å
147N98.7Very high98.7Very high18 Ų1831.2 Ų31.210%0.09618%0.183CC..  trans-81.378.2-171.9-67-15.9000111.7A110 S111 N113 A142 G149 V150 V151A110-N147 PolarHBondContact O-ND2 3.35Å; S111-N147 PolarHBondContact O-ND2 3.28Å; N113-N147 HydrophobicContact CB-CB 4.2Å; N113-N147 WeakPolarHBondContact CB-OD1 3.48Å; N113-N147 PolarHBondContact N-ND2 2.92Å; N113-N147 WeakPolarHBondContact OD1-CB 3.44Å; A142-N147 HydrophobicContact CB-CB 4.25Å; A142-N147 PolarHBondContact O-N 3.2Å; N147-G149 PolarHBondContact O-N 3.42Å; N147-V150 HydrophobicContact CB-CB 4.1Å; N147-V150 HydrophobicContact CB-CG2 4.28Å; N147-V150 PolarHBondContact O-N 2.93Å; N147-V151 WeakPolarHBondContact O-CG2 3.28Å; N147-V151 PolarHBondContact O-N 3.44Å
148G98.7Very high98.6Very high22 Ų2240 Ų4023%0.22722%0.221CC..Hα-helixtrans-56.8-46-170.700000115.2G146 V150 V151 E152 I184G146-G148 PolarHBondContact O-N 2.84Å; G148-V150 VanDerWaalsContact C-N 3.34Å; G148-V150 PolarHBondContact O-N 3.27Å; G148-V151 PolarHBondContact O-N 3.13Å; G148-E152 PolarHBondContact O-N 2.92Å; G148-I184 VanDerWaalsContact CA-CD1 3.42Å
149G98.7Very high98.5Very high30 Ų3042.8 Ų42.831%0.30924%0.235SC..Hα-helixtrans-60.8-43.2178.300000112.3N147 E152 K153N147-G149 PolarHBondContact O-N 3.42Å; G149-E152 PolarHBondContact O-N 2.9Å; G149-K153 WeakPolarHBondContact O-CG 3.15Å; G149-K153 PolarHBondContact O-N 3.11Å; G149-K153 VanDerWaalsContact O-N 3.16Å
150V98.9Very high98.5Very high0 Ų043.9 Ų43.90%024%0.243CC..Hα-helixtrans-63.8-45.1175.1172.80000111.5A110 T115 V118 A142 N147 G148 E152 K153 L154A110-V150 HydrophobicContact CB-CG1 3.62Å; T115-V150 WeakPolarHBondContact OG1-CG2 3.41Å; V118-V150 HydrophobicContact CG1-CG1 4.45Å; V118-V150 HydrophobicContact CG2-CG1 4.1Å; V118-V150 HydrophobicContact CG2-CG2 4.16Å; A142-V150 HydrophobicContact CB-CB 4.16Å; A142-V150 HydrophobicContact CB-CG1 3.56Å; N147-V150 HydrophobicContact CB-CB 4.1Å; N147-V150 HydrophobicContact CB-CG2 4.28Å; N147-V150 PolarHBondContact O-N 2.93Å; G148-V150 VanDerWaalsContact C-N 3.34Å; G148-V150 PolarHBondContact O-N 3.27Å; V150-E152 VanDerWaalsContact C-N 3.32Å; V150-E152 PolarHBondContact O-N 3.06Å; V150-K153 PolarHBondContact O-N 3.31Å; V150-L154 HydrophobicContact CG1-CD1 3.71Å; V150-L154 HydrophobicContact CG1-CG 4.26Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 3.25Å
151V98.9Very high98.4Very high0 Ų047 Ų470%026%0.259CS..Hα-helixtrans-58.8-45.2178.3168.50000110.5L139 A142 N147 G148 K153 L154 L155 I184 M187 L188L139-V151 HydrophobicContact CD1-CB 4.46Å; L139-V151 HydrophobicContact CD1-CG1 4.09Å; L139-V151 HydrophobicContact CD1-CG2 4.25Å; A142-V151 HydrophobicContact CB-CG2 3.78Å; N147-V151 WeakPolarHBondContact O-CG2 3.28Å; N147-V151 PolarHBondContact O-N 3.44Å; G148-V151 PolarHBondContact O-N 3.13Å; V151-K153 PolarHBondContact O-N 3.23Å; V151-L154 PolarHBondContact O-N 3.31Å; V151-L155 HydrophobicContact CG1-CD1 3.68Å; V151-L155 HydrophobicContact CG1-CG 4.18Å; V151-L155 WeakPolarHBondContact O-CB 3.33Å; V151-L155 WeakPolarHBondContact O-CG 3.48Å; V151-L155 PolarHBondContact O-N 3.48Å; V151-I184 HydrophobicContact CB-CD1 4.28Å; V151-I184 HydrophobicContact CG1-CG2 4.46Å; V151-I184 HydrophobicContact CG2-CD1 4.03Å; V151-I184 HydrophobicContact CG2-CG2 4.19Å; V151-M187 HydrophobicContact CB-CE 4.44Å; V151-M187 HydrophobicContact CG1-CE 4.11Å; V151-L188 HydrophobicContact CG1-CD2 4.35Å
152E98.7Very high98.4Very high100 Ų10045.4 Ų45.447%0.46726%0.255SS..Hα-helixtrans-55.7-49.4175.3-171.3-162.1118.800111.8G148 G149 V150 L154 L155 A156 M187G148-E152 PolarHBondContact O-N 2.92Å; G149-E152 PolarHBondContact O-N 2.9Å; V150-E152 VanDerWaalsContact C-N 3.32Å; V150-E152 PolarHBondContact O-N 3.06Å; E152-L154 PolarHBondContact O-N 3.34Å; E152-L155 PolarHBondContact O-N 2.91Å; E152-A156 PolarHBondContact O-N 3.37Å; E152-A156 VanDerWaalsContact O-N 3.09Å; E152-M187 HydrophobicContact CB-CE 3.78Å; E152-M187 HydrophobicContact CG-CE 4.48Å
153K98.6Very high98.4Very high81 Ų8148.5 Ų48.535%0.35227%0.272SS..Hα-helixtrans-66.6-37.3-178.8-61.5-51.2175.2-149.80112.9T115 V118 G149 V150 V151 N157T115-K153 HydrophobicContact CG2-CG 3.87Å; V118-K153 HydrophobicContact CG1-CB 4.42Å; G149-K153 WeakPolarHBondContact O-CG 3.15Å; G149-K153 PolarHBondContact O-N 3.11Å; G149-K153 VanDerWaalsContact O-N 3.16Å; V150-K153 PolarHBondContact O-N 3.31Å; V151-K153 PolarHBondContact O-N 3.23Å; K153-N157 PolarHBondContact O-N 3.05Å
154L98.8Very high98.3Very high0 Ų049.8 Ų49.80%028%0.28CS..Hα-helixtrans-67.3-44.8174.8-69.5168.9000111.1L106 A110 V118 L122 A128 A138 L139 A142 V150 V151 E152 A156 N157 C160L106-L154 HydrophobicContact CD1-CD2 4.38Å; L106-L154 HydrophobicContact CD2-CD2 4.23Å; A110-L154 HydrophobicContact CB-CD1 4.46Å; V118-L154 HydrophobicContact CG1-CD2 4.48Å; L122-L154 HydrophobicContact CD1-CD2 4.26Å; L122-L154 HydrophobicContact CD2-CD2 4.43Å; A128-L154 HydrophobicContact CB-CD2 4.3Å; A138-L154 HydrophobicContact CB-CD1 4.07Å; A138-L154 HydrophobicContact CB-CD2 4.28Å; L139-L154 HydrophobicContact CB-CD1 4.25Å; L139-L154 HydrophobicContact CD1-CB 4.16Å; L139-L154 HydrophobicContact CD1-CD1 4.32Å; A142-L154 HydrophobicContact CB-CD1 4.3Å; V150-L154 HydrophobicContact CG1-CD1 3.71Å; V150-L154 HydrophobicContact CG1-CG 4.26Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 3.25Å; V151-L154 PolarHBondContact O-N 3.31Å; E152-L154 PolarHBondContact O-N 3.34Å; L154-A156 VanDerWaalsContact C-N 3.26Å; L154-A156 PolarHBondContact O-N 3.35Å; L154-N157 WeakPolarHBondContact O-CB 3.33Å; L154-N157 PolarHBondContact O-N 3.47Å; L154-C160 WeakPolarHBondContact O-CB 3.3Å; L154-C160 PolarHBondContact O-SG 3.22Å
155L98.6Very high98.3Very high46 Ų4650.6 Ų50.624%0.24128%0.284CS..Hα-helixtrans-63-30.9179-69173.3000113.3L139 V151 E152 N157 L162 L188 A191L139-L155 HydrophobicContact CD1-CD2 4.34Å; L139-L155 HydrophobicContact CD1-CG 4.43Å; L139-L155 HydrophobicContact CD2-CD2 4.22Å; V151-L155 HydrophobicContact CG1-CD1 3.68Å; V151-L155 HydrophobicContact CG1-CG 4.18Å; V151-L155 WeakPolarHBondContact O-CB 3.33Å; V151-L155 WeakPolarHBondContact O-CG 3.48Å; V151-L155 PolarHBondContact O-N 3.48Å; E152-L155 PolarHBondContact O-N 2.91Å; L155-N157 VanDerWaalsContact C-N 3.26Å; L155-N157 PolarHBondContact O-N 2.85Å; L155-L162 HydrophobicContact CD2-CD1 3.57Å; L155-L188 HydrophobicContact CD1-CD2 4.32Å; L155-L188 HydrophobicContact CD2-CD2 4.1Å; L155-A191 HydrophobicContact CD1-CB 3.96Å; L155-A191 HydrophobicContact CD2-CB 4.07Å; L155-A191 HydrophobicContact CG-CB 4.5Å
156A98.2Very high98.2Very high87 Ų8745.9 Ų45.972%0.71926%0.264SS*.THydrogen-bonded Turntrans-74.3-15.2174.500000113.4E152 L154E152-A156 PolarHBondContact O-N 3.37Å; E152-A156 VanDerWaalsContact O-N 3.09Å; L154-A156 VanDerWaalsContact C-N 3.26Å; L154-A156 PolarHBondContact O-N 3.35Å
157N98.4Very high98.1Very high33 Ų3347.4 Ų47.418%0.17627%0.27CS..SBendtrans-82.3129.9179-174.1-79.4000110.8L122 A128 K153 L154 L155 D159 C160L122-N157 HydrophobicContact CD1-CB 4.34Å; A128-N157 HydrophobicContact CB-CB 4.43Å; K153-N157 PolarHBondContact O-N 3.05Å; L154-N157 WeakPolarHBondContact O-CB 3.33Å; L154-N157 PolarHBondContact O-N 3.47Å; L155-N157 VanDerWaalsContact C-N 3.26Å; L155-N157 PolarHBondContact O-N 2.85Å; N157-D159 PolarHBondContact O-N 3.44Å; N157-D159 VanDerWaalsContact O-N 3.13Å; N157-D159 WeakPolarHBondContact OD1-CB 3.34Å; N157-D159 PolarHBondContact OD1-N 3.23Å; N157-C160 WeakPolarHBondContact O-CB 3.34Å; N157-C160 PolarHBondContact O-N 3.44Å
158K96.8Very high97.8Very high188 Ų18849.6 Ų49.682%0.81728%0.28SS*.THydrogen-bonded Turntrans-59.2-25.8-177.566.6175.9-174.7175.70114.6C160K158-C160 VanDerWaalsContact C-N 3.28Å
159D97.5Very high97.7Very high59 Ų5948.7 Ų48.732%0.31627%0.27SS..THydrogen-bonded Turntrans-916-176.9-61.1-44.7000111.8Y127 A128 G129 N157 L161Y127-D159 HydrophobicContact CD2-CB 3.82Å; Y127-D159 HydrophobicContact CE2-CB 3.65Å; A128-D159 HydrophobicContact CB-CB 4.35Å; G129-D159 PolarHBondContact N-O 3.46Å; N157-D159 PolarHBondContact O-N 3.44Å; N157-D159 VanDerWaalsContact O-N 3.13Å; N157-D159 WeakPolarHBondContact OD1-CB 3.34Å; N157-D159 PolarHBondContact OD1-N 3.23Å; D159-L161 PolarHBondContact O-N 2.95Å
160C97.7Very high97.6Very high25 Ų2548.1 Ų48.117%0.16926%0.26CS..  trans-74.5119.8178.6-171.50000111.9L154 N157 K158 L162L154-C160 WeakPolarHBondContact O-CB 3.3Å; L154-C160 PolarHBondContact O-SG 3.22Å; N157-C160 WeakPolarHBondContact O-CB 3.34Å; N157-C160 PolarHBondContact O-N 3.44Å; K158-C160 VanDerWaalsContact C-N 3.28Å; C160-L162 PolarHBondContact O-N 3.43Å
161L97.7Very high97.6Very high67 Ų6748.1 Ų48.135%0.35126%0.26SS..  trans-92.479.3-179.4-56.1179.7000110.9D159 N163 T164D159-L161 PolarHBondContact O-N 2.95Å; L161-N163 VanDerWaalsContact C-N 3.34Å; L161-N163 PolarHBondContact O-N 3Å; L161-T164 HydrophobicContact CB-CG2 3.69Å; L161-T164 HydrophobicContact CD1-CG2 4.48Å; L161-T164 VanDerWaalsContact O-CG2 3.27Å; L161-T164 WeakPolarHBondContact O-CG2 3.45Å; L161-T164 PolarHBondContact O-N 3.43Å
162L98.1Very high97.6Very high30 Ų3048.1 Ų48.116%0.15726%0.26CS..THydrogen-bonded Turntrans-52.7-44.7-172.5-17955000114.8L139 L155 C160 L188 A191 A193L139-L162 HydrophobicContact CD2-CD1 4.17Å; L155-L162 HydrophobicContact CD2-CD1 3.57Å; C160-L162 PolarHBondContact O-N 3.43Å; L162-L188 HydrophobicContact CD1-CD2 3.71Å; L162-A191 HydrophobicContact CD2-CB 4.05Å; L162-A191 WeakPolarHBondContact CD2-O 3.27Å; L162-A193 HydrophobicContact CD1-CB 3.95Å; L162-A193 HydrophobicContact CD2-CB 4.26Å; L162-A193 HydrophobicContact CG-CB 4.05Å
163N98.3Very high97.6Very high66 Ų6643.4 Ų43.435%0.35324%0.238SC..THydrogen-bonded Turntrans-104.213.1-174.6-71.9-45.3000113.1L161 G192 A193 S194 L197L161-N163 VanDerWaalsContact C-N 3.34Å; L161-N163 PolarHBondContact O-N 3Å; N163-G192 PolarHBondContact ND2-O 2.97Å; N163-A193 WeakPolarHBondContact OD1-CA 3.35Å; N163-S194 PolarHBondContact OD1-N 3.21Å; N163-L197 HydrophobicContact CB-CD1 4Å
164T97.9Very high97.6Very high26 Ų2639.6 Ų39.616%0.1622%0.221CC..  trans-68.4149.4172.3-168.80000110.3K131 T137 H140 L161K131-T164 WeakPolarHBondContact CE-OG1 3.03Å; K131-T164 PolarHBondContact NZ-OG1 3.33Å; T137-T164 HydrophobicContact CG2-CG2 3.74Å; H140-T164 PolarHBondContact CE1-O 2.86Å; H140-T164 VanDerWaalsContact CE1-O 3.25Å; H140-T164 PolarHBondContact NE2-O 3.04Å; L161-T164 HydrophobicContact CB-CG2 3.69Å; L161-T164 HydrophobicContact CD1-CG2 4.48Å; L161-T164 VanDerWaalsContact O-CG2 3.27Å; L161-T164 WeakPolarHBondContact O-CG2 3.45Å; L161-T164 PolarHBondContact O-N 3.43Å
165T97.7Very high97.6Very high39 Ų3941.1 Ų41.124%0.23923%0.229CC..  trans-104.9156.3174.4680000112.4K131 G169 N170 T171K131-T165 PolarHBondContact NZ-O 2.77Å; T165-G169 WeakPolarHBondContact CG2-O 3.46Å; T165-N170 CarbonylContact C-O 3.46Å; T165-N170 VanDerWaalsContact CA-O 3.22Å; T165-N170 WeakPolarHBondContact CA-O 3.39Å; T165-T171 HydrophobicContact CG2-CG2 3.88Å
166D97.4Very high97.6Very high16 Ų1638.9 Ų38.99%0.08622%0.217CC..  trans-75.4-171.3162.376.73000111.7L134 A136 E168 G169 N170 M175L134-D166 CarbonylContact O-C 3.31Å; L134-D166 VanDerWaalsContact O-CB 3.3Å; L134-D166 WeakPolarHBondContact O-CB 3.13Å; A136-D166 HydrophobicContact CB-CB 4.33Å; D166-E168 VanDerWaalsContact C-N 3.27Å; D166-E168 PolarHBondContact O-N 3.05Å; D166-E168 VanDerWaalsContact OD1-C 3.3Å; D166-E168 WeakPolarHBondContact OD1-CA 3.36Å; D166-E168 PolarHBondContact OD1-N 2.88Å; D166-G169 PolarHBondContact O-N 3.07Å; D166-G169 PolarHBondContact OD1-N 3.06Å; D166-N170 PolarHBondContact N-O 3.17Å; D166-N170 PolarHBondContact OD1-N 3.24Å; D166-M175 WeakPolarHBondContact OD2-CE 3.43Å
167S95Very high97.6Very high63 Ų6334.9 Ų34.944%0.44118%0.184SC..THydrogen-bonded Turntrans-66.5-27.8-179.657.30000113.3L134 G169L134-S167 WeakPolarHBondContact O-CB 3.49Å; L134-S167 PolarHBondContact O-N 3.21Å; L134-S167 PolarHBondContact O-OG 3.26Å; S167-G169 VanDerWaalsContact C-N 3.27Å
168E93.8Very high97.5Very high64 Ų6438.9 Ų38.930%0.29920%0.202SC..THydrogen-bonded Turntrans-90.811.2176.9-58.2-61.314200111.2D166 N170 K200 Y202D166-E168 VanDerWaalsContact C-N 3.27Å; D166-E168 PolarHBondContact O-N 3.05Å; D166-E168 VanDerWaalsContact OD1-C 3.3Å; D166-E168 WeakPolarHBondContact OD1-CA 3.36Å; D166-E168 PolarHBondContact OD1-N 2.88Å; E168-N170 WeakPolarHBondContact CB-ND2 3.46Å; E168-N170 PolarHBondContact O-N 3.38Å; E168-K200 CarbonylContact O-C 3.59Å; E168-K200 PolarHBondContact O-N 3.46Å; E168-Y202 PolarHBondContact OE1-OH 2.93Å; E168-Y202 WeakPolarHBondContact OE2-CE2 3.32Å
169G95.9Very high97.6Very high2 Ų233.8 Ų33.82%0.02118%0.181CC..SBendtrans72.26.5179.700000114.4T165 D166 S167 N199T165-G169 WeakPolarHBondContact CG2-O 3.46Å; D166-G169 PolarHBondContact O-N 3.07Å; D166-G169 PolarHBondContact OD1-N 3.06Å; S167-G169 VanDerWaalsContact C-N 3.27Å; G169-N199 WeakPolarHBondContact O-CA 3.47Å
170N97.3Very high97.6Very high19 Ų1934.2 Ų34.210%0.10218%0.183CC..  trans-77.4132.9177.8-61.5-58.6000110H140 T165 D166 E168 H174 N199H140-N170 PolarHBondContact NE2-O 3.03Å; H140-N170 VanDerWaalsContact NE2-O 3.11Å; T165-N170 CarbonylContact C-O 3.46Å; T165-N170 VanDerWaalsContact CA-O 3.22Å; T165-N170 WeakPolarHBondContact CA-O 3.39Å; D166-N170 PolarHBondContact N-O 3.17Å; D166-N170 PolarHBondContact OD1-N 3.24Å; E168-N170 WeakPolarHBondContact CB-ND2 3.46Å; E168-N170 PolarHBondContact O-N 3.38Å; N170-H174 HydrophobicContact CB-CB 3.86Å; N170-N199 VanDerWaalsContact OD1-CB 3.28Å; N170-N199 WeakPolarHBondContact OD1-CB 3.18Å; N170-N199 PolarHBondContact OD1-ND2 2.99Å
171T98.5Very high97.7Very high0 Ų037.1 Ų37.10%019%0.19CC..  trans-85.2169.2164.567.30000110.4H140 T165 L173 H174 M175 L197H140-T171 WeakPolarHBondContact NE2-CA 3.39Å; T165-T171 HydrophobicContact CG2-CG2 3.88Å; T171-L173 PolarHBondContact O-N 3.32Å; T171-L173 VanDerWaalsContact O-N 3.12Å; T171-L173 PolarHBondContact OG1-N 3.12Å; T171-H174 PolarHBondContact N-ND1 3.38Å; T171-H174 WeakPolarHBondContact O-CB 3.49Å; T171-H174 PolarHBondContact O-N 3.06Å; T171-H174 PolarHBondContact OG1-N 3.43Å; T171-H174 PolarHBondContact OG1-ND1 2.93Å; T171-M175 PolarHBondContact O-N 3.21Å; T171-L197 HydrophobicContact CG2-CB 4.49Å; T171-L197 HydrophobicContact CG2-CD1 3.8Å
172A98.7Very high97.7Very high0 Ų041.1 Ų41.10%020%0.201CC..Hα-helixtrans-55.8-29.417100000112.8L139 H140 A143 A176 L188L139-A172 HydrophobicContact CD2-CB 3.97Å; L139-A172 HydrophobicContact CG-CB 3.78Å; H140-A172 PolarHBondContact CD2-N 3.04Å; H140-A172 PolarHBondContact NE2-N 3.2Å; A143-A172 HydrophobicContact CB-CB 3.89Å; A143-A172 WeakPolarHBondContact CB-O 3.49Å; A172-A176 WeakPolarHBondContact O-CB 3.41Å; A172-A176 PolarHBondContact O-N 3.37Å; A172-L188 HydrophobicContact CB-CD1 4.11Å; A172-L188 HydrophobicContact CB-CD2 4.48Å
173L98.8Very high97.7Very high1 Ų146 Ų461%0.00522%0.223CC..Hα-helixtrans-72.8-36.6176.3-177.160.1000112.4T171 A176 C177 A185 L188 V189 A193 V195 P210 L222T171-L173 PolarHBondContact O-N 3.32Å; T171-L173 VanDerWaalsContact O-N 3.12Å; T171-L173 PolarHBondContact OG1-N 3.12Å; L173-A176 PolarHBondContact O-N 3.02Å; L173-C177 WeakPolarHBondContact O-CB 3.38Å; L173-C177 PolarHBondContact O-N 3.09Å; L173-C177 PolarHBondContact O-SG 3.27Å; L173-A185 HydrophobicContact CD1-CB 3.78Å; L173-L188 HydrophobicContact CB-CD1 4.08Å; L173-L188 HydrophobicContact CD1-CB 4.11Å; L173-L188 HydrophobicContact CD1-CD1 4.24Å; L173-V189 HydrophobicContact CD1-CG2 4.11Å; L173-V189 HydrophobicContact CD2-CG2 3.73Å; L173-A193 HydrophobicContact CB-CB 4.28Å; L173-A193 HydrophobicContact CD2-CB 3.93Å; L173-V195 HydrophobicContact CD2-CG1 3.89Å; L173-P210 HydrophobicContact CB-CB 4.43Å; L173-P210 HydrophobicContact CB-CG 4.3Å; L173-P210 HydrophobicContact CD2-CB 4.07Å; L173-P210 HydrophobicContact CD2-CG 4.05Å; L173-P210 HydrophobicContact CG-CB 3.73Å; L173-P210 HydrophobicContact CG-CG 3.98Å; L173-L222 HydrophobicContact CD1-CD1 4.47Å
174H98.5Very high97.7Very high0 Ų043 Ų430%021%0.207CC..Hα-helixtrans-57-52.8171.9-72.282.9000110.3N170 T171 A176 C177 E178 L197 N199 K208 P210 L213N170-H174 HydrophobicContact CB-CB 3.86Å; T171-H174 PolarHBondContact N-ND1 3.38Å; T171-H174 WeakPolarHBondContact O-CB 3.49Å; T171-H174 PolarHBondContact O-N 3.06Å; T171-H174 PolarHBondContact OG1-N 3.43Å; T171-H174 PolarHBondContact OG1-ND1 2.93Å; H174-A176 VanDerWaalsContact C-N 3.33Å; H174-A176 PolarHBondContact O-N 2.92Å; H174-C177 PolarHBondContact O-N 3.46Å; H174-C177 VanDerWaalsContact O-N 3.1Å; H174-E178 WeakPolarHBondContact O-CB 3.48Å; H174-E178 PolarHBondContact O-N 3.07Å; H174-L197 PolarHBondContact CE1-O 2.93Å; H174-L197 PolarHBondContact NE2-O 3.17Å; H174-N199 PolarHBondContact NE2-N 2.95Å; H174-K208 PolarHBondContact NE2-O 3.05Å; H174-P210 WeakPolarHBondContact NE2-CD 3.46Å; H174-L213 HydrophobicContact CB-CD1 3.95Å
175M98.3Very high97.8Very high32 Ų3241.8 Ų41.816%0.15820%0.199CC..Hα-helixtrans-60.2-41.3179.4-67.8-174.1171.300112.4H140 D166 T171 C177 E179H140-M175 HydrophobicContact CB-CE 4.3Å; H140-M175 HydrophobicContact CB-SD 3.71Å; D166-M175 WeakPolarHBondContact OD2-CE 3.43Å; T171-M175 PolarHBondContact O-N 3.21Å; M175-C177 VanDerWaalsContact C-N 3.31Å; M175-C177 PolarHBondContact O-N 3.37Å; M175-E179 VanDerWaalsContact O-CB 3.24Å; M175-E179 WeakPolarHBondContact O-CB 3.33Å; M175-E179 WeakPolarHBondContact O-CG 3.48Å; M175-E179 PolarHBondContact O-N 3.35Å
176A98.7Very high97.8Very high0 Ų040.7 Ų40.70%019%0.192CC..Hα-helixtrans-64.6-35.1176.800000112.6A143 A172 L173 H174 D180 R181 I184 A185 L188A143-A176 HydrophobicContact CB-CB 4.44Å; A172-A176 WeakPolarHBondContact O-CB 3.41Å; A172-A176 PolarHBondContact O-N 3.37Å; L173-A176 PolarHBondContact O-N 3.02Å; H174-A176 VanDerWaalsContact C-N 3.33Å; H174-A176 PolarHBondContact O-N 2.92Å; A176-D180 PolarHBondContact O-N 2.91Å; A176-R181 HydrophobicContact CB-CB 4.18Å; A176-R181 WeakPolarHBondContact O-CA 3.43Å; A176-R181 WeakPolarHBondContact O-CB 3.42Å; A176-R181 PolarHBondContact O-N 3.1Å; A176-I184 HydrophobicContact CB-CB 4.19Å; A176-I184 HydrophobicContact CB-CG2 3.81Å; A176-A185 HydrophobicContact CB-CB 4.16Å; A176-L188 HydrophobicContact CB-CD1 4.17Å
177C98.5Very high97.8Very high2 Ų241.7 Ų41.71%0.01420%0.197CC..Hα-helixtrans-75-45.5178.3-66.70000112L173 H174 M175 E179 D180 P210 L213 A214L173-C177 WeakPolarHBondContact O-CB 3.38Å; L173-C177 PolarHBondContact O-N 3.09Å; L173-C177 PolarHBondContact O-SG 3.27Å; H174-C177 PolarHBondContact O-N 3.46Å; H174-C177 VanDerWaalsContact O-N 3.1Å; M175-C177 VanDerWaalsContact C-N 3.31Å; M175-C177 PolarHBondContact O-N 3.37Å; C177-E179 VanDerWaalsContact C-N 3.29Å; C177-E179 PolarHBondContact O-N 2.75Å; C177-D180 PolarHBondContact O-N 3.37Å; C177-D180 VanDerWaalsContact O-N 3.14Å; C177-P210 HydrophobicContact CB-CB 4.46Å; C177-P210 VanDerWaalsContact CB-O 3.23Å; C177-P210 WeakPolarHBondContact CB-O 3.32Å; C177-L213 HydrophobicContact CB-CB 4.21Å; C177-A214 HydrophobicContact CB-CB 3.97Å
178E97.3Very high98Very high117 Ų11738.7 Ų38.755%0.54718%0.176SC..Hα-helixtrans-59-40.6177.2-177.2172.7-138.900112H174 D180 L213H174-E178 WeakPolarHBondContact O-CB 3.48Å; H174-E178 PolarHBondContact O-N 3.07Å; E178-D180 VanDerWaalsContact C-N 3.29Å; E178-D180 PolarHBondContact O-N 3.14Å; E178-L213 HydrophobicContact CB-CB 4.36Å; E178-L213 HydrophobicContact CB-CD1 4.37Å
179E98.1Very high98.2Very high81 Ų8136.2 Ų36.238%0.37917%0.165SC..THydrogen-bonded Turntrans-87.48.6179.8-68-78.1160.200113.8M175 C177 R181M175-E179 VanDerWaalsContact O-CB 3.24Å; M175-E179 WeakPolarHBondContact O-CB 3.33Å; M175-E179 WeakPolarHBondContact O-CG 3.48Å; M175-E179 PolarHBondContact O-N 3.35Å; C177-E179 VanDerWaalsContact C-N 3.29Å; C177-E179 PolarHBondContact O-N 2.75Å; E179-R181 HydrophobicContact CB-CG 3.73Å; E179-R181 WeakPolarHBondContact O-CD 3.24Å; E179-R181 PolarHBondContact O-N 3.48Å; E179-R181 VanDerWaalsContact O-N 3.17Å; E179-R181 PolarHBondContact O-NE 3.4Å; E179-R181 IonicContact OE2-CZ 3.88Å; E179-R181 IonicContact OE2-NH2 2.93Å; E179-R181 PolarHBondContact OE2-NH2 3.47Å
180D97.9Very high98.3Very high68 Ų6843.3 Ų43.336%0.36420%0.196SC..THydrogen-bonded Turntrans48.838.9-175.9-167.933.9000114.3A176 C177 E178 R182 N215A176-D180 PolarHBondContact O-N 2.91Å; C177-D180 PolarHBondContact O-N 3.37Å; C177-D180 VanDerWaalsContact O-N 3.14Å; E178-D180 VanDerWaalsContact C-N 3.29Å; E178-D180 PolarHBondContact O-N 3.14Å; D180-R182 PolarHBondContact O-N 3.32Å; D180-R182 WeakPolarHBondContact OD1-CG 3.48Å; D180-N215 PolarHBondContact OD1-ND2 3.4Å; D180-N215 PolarHBondContact OD2-ND2 3.44Å
181R98.5Very high98.3Very high86 Ų8644.8 Ų44.833%0.32521%0.21SC..  trans-81.863.6175.9-50.6-57.9-176.7-154-17.3110.1A143 S144 A176 E179 Q183 I184 A185A143-R181 WeakPolarHBondContact O-CG 3.06Å; S144-R181 PolarHBondContact O-NE 2.79Å; A176-R181 HydrophobicContact CB-CB 4.18Å; A176-R181 WeakPolarHBondContact O-CA 3.43Å; A176-R181 WeakPolarHBondContact O-CB 3.42Å; A176-R181 PolarHBondContact O-N 3.1Å; E179-R181 HydrophobicContact CB-CG 3.73Å; E179-R181 WeakPolarHBondContact O-CD 3.24Å; E179-R181 PolarHBondContact O-N 3.48Å; E179-R181 VanDerWaalsContact O-N 3.17Å; E179-R181 PolarHBondContact O-NE 3.4Å; E179-R181 IonicContact OE2-CZ 3.88Å; E179-R181 IonicContact OE2-NH2 2.93Å; E179-R181 PolarHBondContact OE2-NH2 3.47Å; R181-Q183 VanDerWaalsContact C-N 3.33Å; R181-Q183 PolarHBondContact O-N 3Å; R181-Q183 VanDerWaalsContact O-N 3.16Å; R181-I184 HydrophobicContact CB-CB 3.99Å; R181-I184 HydrophobicContact CB-CG1 4.02Å; R181-I184 WeakPolarHBondContact O-CA 3.49Å; R181-I184 WeakPolarHBondContact O-CB 3.46Å; R181-I184 PolarHBondContact O-N 3.43Å; R181-A185 PolarHBondContact O-N 3.22Å
182R98.2Very high98.3Very high151 Ų15147.1 Ų47.157%0.5723%0.234SC*.Hα-helixtrans-46.5-49.2-172-63.6179.5-75.5163.7-1.7114.2D180 I184 A185 V186 L218D180-R182 PolarHBondContact O-N 3.32Å; D180-R182 WeakPolarHBondContact OD1-CG 3.48Å; R182-I184 VanDerWaalsContact C-N 3.34Å; R182-I184 PolarHBondContact O-N 3.09Å; R182-A185 PolarHBondContact O-N 3.43Å; R182-V186 WeakPolarHBondContact O-CG2 3.12Å; R182-V186 PolarHBondContact O-N 3.32Å; R182-L218 HydrophobicContact CB-CD1 4.17Å; R182-L218 HydrophobicContact CG-CB 4.41Å; R182-L218 HydrophobicContact CG-CD1 4.14Å; R182-L218 HydrophobicContact CG-CD2 4.26Å; R182-L218 HydrophobicContact CG-CG 4.5Å
183Q98.2Very high98.3Very high133 Ų13347.5 Ų47.562%0.62124%0.238SC*.Hα-helixtrans-63.7-40.6-179.5-175.561.324.200112R181 V186 M187R181-Q183 VanDerWaalsContact C-N 3.33Å; R181-Q183 PolarHBondContact O-N 3Å; R181-Q183 VanDerWaalsContact O-N 3.16Å; Q183-V186 PolarHBondContact O-N 2.86Å; Q183-M187 HydrophobicContact CG-SD 4.45Å; Q183-M187 VanDerWaalsContact O-CG 3.32Å; Q183-M187 WeakPolarHBondContact O-CG 3.45Å; Q183-M187 PolarHBondContact O-N 3.47Å
184I98.8Very high98.2Very high4 Ų449.3 Ų49.32%0.02125%0.251CS..Hα-helixtrans-66-46.7177.2-59.8-47.4000110.7A143 G148 V151 A176 R181 R182 V186 M187 L188A143-I184 HydrophobicContact CB-CG2 3.73Å; G148-I184 VanDerWaalsContact CA-CD1 3.42Å; V151-I184 HydrophobicContact CB-CD1 4.28Å; V151-I184 HydrophobicContact CG1-CG2 4.46Å; V151-I184 HydrophobicContact CG2-CD1 4.03Å; V151-I184 HydrophobicContact CG2-CG2 4.19Å; A176-I184 HydrophobicContact CB-CB 4.19Å; A176-I184 HydrophobicContact CB-CG2 3.81Å; R181-I184 HydrophobicContact CB-CB 3.99Å; R181-I184 HydrophobicContact CB-CG1 4.02Å; R181-I184 WeakPolarHBondContact O-CA 3.49Å; R181-I184 WeakPolarHBondContact O-CB 3.46Å; R181-I184 PolarHBondContact O-N 3.43Å; R182-I184 VanDerWaalsContact C-N 3.34Å; R182-I184 PolarHBondContact O-N 3.09Å; I184-V186 VanDerWaalsContact C-N 3.26Å; I184-V186 PolarHBondContact O-N 2.91Å; I184-M187 HydrophobicContact CD1-SD 4.34Å; I184-M187 WeakPolarHBondContact O-CB 3.1Å; I184-M187 PolarHBondContact O-N 3.35Å; I184-L188 HydrophobicContact CG2-CD1 3.8Å; I184-L188 HydrophobicContact CG2-CG 4.14Å; I184-L188 WeakPolarHBondContact O-CG 3.39Å; I184-L188 PolarHBondContact O-N 3.16Å
185A98.8Very high98.2Very high0 Ų049.8 Ų49.80%025%0.253CS..Hα-helixtrans-57.7-42.5179.200000111.3L173 A176 R181 R182 L188 V189 L218 L222L173-A185 HydrophobicContact CD1-CB 3.78Å; A176-A185 HydrophobicContact CB-CB 4.16Å; R181-A185 PolarHBondContact O-N 3.22Å; R182-A185 PolarHBondContact O-N 3.43Å; A185-L188 PolarHBondContact O-N 3.43Å; A185-V189 WeakPolarHBondContact O-CG2 3.13Å; A185-V189 PolarHBondContact O-N 2.93Å; A185-L218 HydrophobicContact CB-CD1 4.07Å; A185-L218 HydrophobicContact CB-CD2 4.18Å; A185-L222 HydrophobicContact CB-CD1 4.2Å; A185-L222 HydrophobicContact CB-CD2 4.1Å
186V98.5Very high98.1Very high15 Ų1554.4 Ų54.49%0.09127%0.274CS..Hα-helixtrans-62.6-44173.6169.90000112R182 Q183 I184 K190 R221 L222 L225R182-V186 WeakPolarHBondContact O-CG2 3.12Å; R182-V186 PolarHBondContact O-N 3.32Å; Q183-V186 PolarHBondContact O-N 2.86Å; I184-V186 VanDerWaalsContact C-N 3.26Å; I184-V186 PolarHBondContact O-N 2.91Å; V186-K190 HydrophobicContact CG1-CD 4.17Å; V186-K190 WeakPolarHBondContact O-CB 3.4Å; V186-K190 WeakPolarHBondContact O-CG 3.22Å; V186-K190 PolarHBondContact O-N 2.95Å; V186-R221 HydrophobicContact CG2-CG 4.12Å; V186-L222 HydrophobicContact CG2-CD2 4.14Å; V186-L225 HydrophobicContact CB-CD1 4.36Å; V186-L225 HydrophobicContact CG1-CD1 3.88Å; V186-L225 HydrophobicContact CG2-CD1 4.13Å
187M98.5Very high97.9Very high38 Ų3857.5 Ų57.519%0.18729%0.291CS..Hα-helixtrans-60.6-44.9176.9-73.2174.468.900111.9V151 E152 Q183 I184 K190 A191V151-M187 HydrophobicContact CB-CE 4.44Å; V151-M187 HydrophobicContact CG1-CE 4.11Å; E152-M187 HydrophobicContact CB-CE 3.78Å; E152-M187 HydrophobicContact CG-CE 4.48Å; Q183-M187 HydrophobicContact CG-SD 4.45Å; Q183-M187 VanDerWaalsContact O-CG 3.32Å; Q183-M187 WeakPolarHBondContact O-CG 3.45Å; Q183-M187 PolarHBondContact O-N 3.47Å; I184-M187 HydrophobicContact CD1-SD 4.34Å; I184-M187 WeakPolarHBondContact O-CB 3.1Å; I184-M187 PolarHBondContact O-N 3.35Å; M187-K190 PolarHBondContact O-N 2.87Å; M187-A191 WeakPolarHBondContact O-CB 3.44Å; M187-A191 PolarHBondContact O-N 3.33Å
188L98.8Very high97.8Very high0 Ų063.3 Ų63.30%032%0.316CS..Hα-helixtrans-63.6-46.7179.6-69.6173000111.5L139 A143 V151 L155 L162 A172 L173 A176 I184 A185 K190 A191 G192 A193L139-L188 HydrophobicContact CD1-CD2 4.22Å; L139-L188 HydrophobicContact CD2-CD2 4.15Å; L139-L188 HydrophobicContact CG-CD2 4.44Å; A143-L188 HydrophobicContact CB-CD1 4.26Å; V151-L188 HydrophobicContact CG1-CD2 4.35Å; L155-L188 HydrophobicContact CD1-CD2 4.32Å; L155-L188 HydrophobicContact CD2-CD2 4.1Å; L162-L188 HydrophobicContact CD1-CD2 3.71Å; A172-L188 HydrophobicContact CB-CD1 4.11Å; A172-L188 HydrophobicContact CB-CD2 4.48Å; L173-L188 HydrophobicContact CB-CD1 4.08Å; L173-L188 HydrophobicContact CD1-CB 4.11Å; L173-L188 HydrophobicContact CD1-CD1 4.24Å; A176-L188 HydrophobicContact CB-CD1 4.17Å; I184-L188 HydrophobicContact CG2-CD1 3.8Å; I184-L188 HydrophobicContact CG2-CG 4.14Å; I184-L188 WeakPolarHBondContact O-CG 3.39Å; I184-L188 PolarHBondContact O-N 3.16Å; A185-L188 PolarHBondContact O-N 3.43Å; L188-K190 PolarHBondContact O-N 3.06Å; L188-A191 CarbonylContact O-C 3.57Å; L188-A191 WeakPolarHBondContact O-CB 3.42Å; L188-A191 PolarHBondContact O-N 2.98Å; L188-A191 VanDerWaalsContact O-N 3.1Å; L188-G192 PolarHBondContact O-N 2.67Å; L188-A193 VanDerWaalsContact C-CB 3.45Å; L188-A193 HydrophobicContact CB-CB 3.85Å; L188-A193 WeakPolarHBondContact O-CB 3.45Å; L188-A193 PolarHBondContact O-N 3.4Å
189V98.4Very high97.6Very high12 Ų1258.4 Ų58.47%0.07329%0.293CS..Hα-helixtrans-62.1-42.8177.2169.60000111.4L173 A185 A191 G192 V195 L222 L225 T226L173-V189 HydrophobicContact CD1-CG2 4.11Å; L173-V189 HydrophobicContact CD2-CG2 3.73Å; A185-V189 WeakPolarHBondContact O-CG2 3.13Å; A185-V189 PolarHBondContact O-N 2.93Å; V189-A191 PolarHBondContact O-N 3.37Å; V189-G192 PolarHBondContact O-N 2.8Å; V189-V195 HydrophobicContact CG2-CG1 3.71Å; V189-L222 HydrophobicContact CB-CD2 4.41Å; V189-L222 HydrophobicContact CG2-CD2 3.89Å; V189-L225 HydrophobicContact CG1-CB 3.88Å; V189-L225 HydrophobicContact CG1-CD1 4.45Å; V189-T226 HydrophobicContact CG1-CG2 3.71Å
190K97.7Very high97.1Very high151 Ų15160.9 Ų60.966%0.65730%0.303SS*.Hα-helixtrans-61.9-29174.7-75.7-177.4174.2-170.40113.3V186 M187 L188 G192V186-K190 HydrophobicContact CG1-CD 4.17Å; V186-K190 WeakPolarHBondContact O-CB 3.4Å; V186-K190 WeakPolarHBondContact O-CG 3.22Å; V186-K190 PolarHBondContact O-N 2.95Å; M187-K190 PolarHBondContact O-N 2.87Å; L188-K190 PolarHBondContact O-N 3.06Å; K190-G192 PolarHBondContact O-N 3.32Å
191A97.7Very high95.7Very high49 Ų4960.1 Ų60.141%0.40530%0.301SS..THydrogen-bonded Turntrans-80.5-1.4173.900000113.5L155 L162 M187 L188 V189L155-A191 HydrophobicContact CD1-CB 3.96Å; L155-A191 HydrophobicContact CD2-CB 4.07Å; L155-A191 HydrophobicContact CG-CB 4.5Å; L162-A191 HydrophobicContact CD2-CB 4.05Å; L162-A191 WeakPolarHBondContact CD2-O 3.27Å; M187-A191 WeakPolarHBondContact O-CB 3.44Å; M187-A191 PolarHBondContact O-N 3.33Å; L188-A191 CarbonylContact O-C 3.57Å; L188-A191 WeakPolarHBondContact O-CB 3.42Å; L188-A191 PolarHBondContact O-N 2.98Å; L188-A191 VanDerWaalsContact O-N 3.1Å; V189-A191 PolarHBondContact O-N 3.37Å
192G97.3Very high94Very high49 Ų4963.3 Ų63.351%0.50531%0.314SS..THydrogen-bonded Turntrans93.622.7-179.900000114.7N163 L188 V189 K190 S194N163-G192 PolarHBondContact ND2-O 2.97Å; L188-G192 PolarHBondContact O-N 2.67Å; V189-G192 PolarHBondContact O-N 2.8Å; K190-G192 PolarHBondContact O-N 3.32Å; G192-S194 PolarHBondContact O-N 3.01Å
193A98.2Very high92.3Very high9 Ų961.7 Ų61.77%0.07432%0.323CS..  trans-65.4133.5172.800000110.2L162 N163 L173 L188 V195L162-A193 HydrophobicContact CD1-CB 3.95Å; L162-A193 HydrophobicContact CD2-CB 4.26Å; L162-A193 HydrophobicContact CG-CB 4.05Å; N163-A193 WeakPolarHBondContact OD1-CA 3.35Å; L173-A193 HydrophobicContact CB-CB 4.28Å; L173-A193 HydrophobicContact CD2-CB 3.93Å; L188-A193 VanDerWaalsContact C-CB 3.45Å; L188-A193 HydrophobicContact CB-CB 3.85Å; L188-A193 WeakPolarHBondContact O-CB 3.45Å; L188-A193 PolarHBondContact O-N 3.4Å; A193-V195 PolarHBondContact O-N 3.41Å
194S97.9Very high91Very high39 Ų3962 Ų6227%0.27334%0.338SS..  trans-74.1125.9179.2-179.50000110.8N163 G192 E196N163-S194 PolarHBondContact OD1-N 3.21Å; G192-S194 PolarHBondContact O-N 3.01Å; S194-E196 VanDerWaalsContact C-N 3.33Å; S194-E196 PolarHBondContact OG-N 3.16Å
195V97.4Very high89.8Confident10 Ų1066.8 Ų66.86%0.06136%0.362CS..SBendtrans-85.6-5.6173.8-65.30000113L173 V189 A193 T209 P210 L211 T226L173-V195 HydrophobicContact CD2-CG1 3.89Å; V189-V195 HydrophobicContact CG2-CG1 3.71Å; A193-V195 PolarHBondContact O-N 3.41Å; V195-T209 WeakPolarHBondContact O-CB 3.38Å; V195-P210 WeakPolarHBondContact O-CD 3.35Å; V195-L211 HydrophobicContact CB-CD1 3.96Å; V195-L211 HydrophobicContact CB-CD2 4.29Å; V195-L211 HydrophobicContact CB-CG 3.94Å; V195-L211 HydrophobicContact CG1-CD2 4.29Å; V195-L211 HydrophobicContact CG1-CG 4.48Å; V195-L211 HydrophobicContact CG2-CD1 4.16Å; V195-T226 HydrophobicContact CG1-CG2 4.05Å; V195-T226 HydrophobicContact CG2-CG2 4Å
196E96.4Very high89.1Confident128 Ų12874.9 Ų74.960%0.59840%0.4SS*.SBendtrans-105.7-10.8-173.2-60-57.7142.700113.3S194 K198S194-E196 VanDerWaalsContact C-N 3.33Å; S194-E196 PolarHBondContact OG-N 3.16Å; E196-K198 PolarHBondContact O-N 3.45Å
197L95.7Very high88.8Confident65 Ų6579.2 Ų79.234%0.3442%0.419SS..PPolyproline II helixtrans-64.2129.9177.7-72.2174.5000109.1N163 T171 H174 T209 P210N163-L197 HydrophobicContact CB-CD1 4Å; T171-L197 HydrophobicContact CG2-CB 4.49Å; T171-L197 HydrophobicContact CG2-CD1 3.8Å; H174-L197 PolarHBondContact CE1-O 2.93Å; H174-L197 PolarHBondContact NE2-O 3.17Å; L197-T209 WeakPolarHBondContact O-CA 3.47Å; L197-P210 VanDerWaalsContact O-CD 3.32Å; L197-P210 WeakPolarHBondContact O-CD 3.43Å
198K95.1Very high88.6Confident124 Ų12481.7 Ų81.754%0.53943%0.429SS..PPolyproline II helixtrans-92.4136176.1-72.3-175.1178.1-169.80110.1E196 E207 K208 T209E196-K198 PolarHBondContact O-N 3.45Å; K198-E207 HydrophobicContact CB-CB 4.01Å; K198-E207 HydrophobicContact CD-CB 4Å; K198-E207 WeakPolarHBondContact CD-OE2 3.47Å; K198-E207 HydrophobicContact CG-CB 4.4Å; K198-K208 WeakPolarHBondContact CA-O 3.23Å; K198-T209 HydrophobicContact CG-CG2 3.99Å
199N94.6Very high88.5Confident14 Ų1482.2 Ų82.28%0.07543%0.433CS..PPolyproline II helixtrans-70.4166.4169.569.32000111.6G169 N170 H174 E207 K208G169-N199 WeakPolarHBondContact O-CA 3.47Å; N170-N199 VanDerWaalsContact OD1-CB 3.28Å; N170-N199 WeakPolarHBondContact OD1-CB 3.18Å; N170-N199 PolarHBondContact OD1-ND2 2.99Å; H174-N199 PolarHBondContact NE2-N 2.95Å; N199-E207 WeakPolarHBondContact O-CB 3.48Å; N199-E207 WeakPolarHBondContact O-CG 3.48Å; N199-K208 PolarHBondContact N-O 2.82Å; N199-K208 PolarHBondContact OD1-N 3.34Å; N199-K208 PolarHBondContact OD1-O 2.75Å
200K87.2Confident88.5Confident134 Ų13481.7 Ų81.758%0.58343%0.429SS*.PPolyproline II helixtrans-94.8133.7174.1-64178.1-178.1178.70106.8E168E168-K200 CarbonylContact O-C 3.59Å; E168-K200 PolarHBondContact O-N 3.46Å
201V68.2Low88.4Confident52 Ų5274.8 Ų74.832%0.31540%0.399SS..  trans-130.9151.4173.8-126.80000110.3I205 E207V201-I205 HydrophobicContact CB-CB 4.03Å; V201-I205 HydrophobicContact CB-CG2 4.18Å; V201-I205 HydrophobicContact CG1-CB 3.98Å; V201-I205 HydrophobicContact CG1-CD1 4.31Å; V201-I205 HydrophobicContact CG1-CG2 3.88Å; V201-I205 HydrophobicContact CG2-CG2 4.32Å; V201-E207 HydrophobicContact CG2-CB 4.46Å; V201-E207 HydrophobicContact CG2-CG 4.36Å
202Y62.3Low88.4Confident153 Ų15375.9 Ų75.960%0.640%0.398SS*.  trans-53.9156.2175.9-72.3-88.6000111.5E168 C204 I205E168-Y202 PolarHBondContact OE1-OH 2.93Å; E168-Y202 WeakPolarHBondContact OE2-CE2 3.32Å; Y202-C204 PolarHBondContact O-N 3.5Å; Y202-I205 PolarHBondContact O-N 2.92Å
203P63Low88.3Confident117 Ų11775.1 Ų75.176%0.7638%0.383SS*.THydrogen-bonded Turntrans-48.4134178.7-24.932.7000111.5
204C70.7Confident88.3Confident140 Ų14075.3 Ų75.395%0.94638%0.384SS*.THydrogen-bonded Turntrans87.71.4179-47.90000117.9Y202Y202-C204 PolarHBondContact O-N 3.5Å
205I74.5Confident88.3Confident103 Ų10376.5 Ų76.553%0.52839%0.388SS..SBendtrans-112.6134.5172-57.2174.1000109.6V201 Y202V201-I205 HydrophobicContact CB-CB 4.03Å; V201-I205 HydrophobicContact CB-CG2 4.18Å; V201-I205 HydrophobicContact CG1-CB 3.98Å; V201-I205 HydrophobicContact CG1-CD1 4.31Å; V201-I205 HydrophobicContact CG1-CG2 3.88Å; V201-I205 HydrophobicContact CG2-CG2 4.32Å; Y202-I205 PolarHBondContact O-N 2.92Å
206E83.8Confident88.3Confident170 Ų17080.6 Ų80.679%0.79442%0.416SS*.  trans-65.8133175.5-68.2-176.5174.800111.1
207E90.9Very high88.3Confident106 Ų10680.3 Ų80.350%0.49542%0.415SS..  trans-60.8134171.1-59.9178.7165.800110.8K198 N199 V201K198-E207 HydrophobicContact CB-CB 4.01Å; K198-E207 HydrophobicContact CD-CB 4Å; K198-E207 WeakPolarHBondContact CD-OE2 3.47Å; K198-E207 HydrophobicContact CG-CB 4.4Å; N199-E207 WeakPolarHBondContact O-CB 3.48Å; N199-E207 WeakPolarHBondContact O-CG 3.48Å; V201-E207 HydrophobicContact CG2-CB 4.46Å; V201-E207 HydrophobicContact CG2-CG 4.36Å
208K94.6Very high88.4Confident91 Ų9177.4 Ų77.440%0.39640%0.4SS..  trans-114.2141.7-176-68.9-175.4-179.1-179.80111H174 K198 N199 D212 L213H174-K208 PolarHBondContact NE2-O 3.05Å; K198-K208 WeakPolarHBondContact CA-O 3.23Å; N199-K208 PolarHBondContact N-O 2.82Å; N199-K208 PolarHBondContact OD1-N 3.34Å; N199-K208 PolarHBondContact OD1-O 2.75Å; K208-D212 HydrophobicContact CB-CB 4.05Å; K208-D212 HydrophobicContact CG-CB 4.24Å; K208-L213 HydrophobicContact CB-CD2 4.22Å; K208-L213 HydrophobicContact CB-CG 4.26Å; K208-L213 HydrophobicContact CD-CD2 3.57Å; K208-L213 HydrophobicContact CD-CG 4.4Å
209T97Very high88.5Confident11 Ų1176 Ų767%0.06739%0.391CS..  trans-81166164.468.60000110.2V195 L197 K198 L211 D212 L213V195-T209 WeakPolarHBondContact O-CB 3.38Å; L197-T209 WeakPolarHBondContact O-CA 3.47Å; K198-T209 HydrophobicContact CG-CG2 3.99Å; T209-L211 PolarHBondContact O-N 3.28Å; T209-L211 PolarHBondContact OG1-N 3.47Å; T209-D212 WeakPolarHBondContact CB-OD2 3.46Å; T209-D212 PolarHBondContact N-OD2 3.27Å; T209-D212 PolarHBondContact O-N 3.1Å; T209-D212 PolarHBondContact OG1-N 3.41Å; T209-D212 PolarHBondContact OG1-OD2 3.06Å; T209-L213 PolarHBondContact O-N 3.02Å
210P97.6Very high88.7Confident0 Ų081.9 Ų81.90%042%0.416CS..Hα-helixtrans-56.5-33.3171.2-22.430.5000113.1L173 H174 C177 V195 L197 D212 L213 A214L173-P210 HydrophobicContact CB-CB 4.43Å; L173-P210 HydrophobicContact CB-CG 4.3Å; L173-P210 HydrophobicContact CD2-CB 4.07Å; L173-P210 HydrophobicContact CD2-CG 4.05Å; L173-P210 HydrophobicContact CG-CB 3.73Å; L173-P210 HydrophobicContact CG-CG 3.98Å; H174-P210 WeakPolarHBondContact NE2-CD 3.46Å; C177-P210 HydrophobicContact CB-CB 4.46Å; C177-P210 VanDerWaalsContact CB-O 3.23Å; C177-P210 WeakPolarHBondContact CB-O 3.32Å; V195-P210 WeakPolarHBondContact O-CD 3.35Å; L197-P210 VanDerWaalsContact O-CD 3.32Å; L197-P210 WeakPolarHBondContact O-CD 3.43Å; P210-D212 VanDerWaalsContact C-N 3.27Å; P210-D212 PolarHBondContact O-N 3.4Å; P210-L213 PolarHBondContact O-N 3.02Å; P210-A214 PolarHBondContact O-N 3Å
211L97.3Very high89.1Confident6 Ų681.8 Ų81.83%0.03141%0.412CS..Hα-helixtrans-67.8-28.3178.6-63.4179.9000112.6V195 T209 L213 R219 L222 L223V195-L211 HydrophobicContact CB-CD1 3.96Å; V195-L211 HydrophobicContact CB-CD2 4.29Å; V195-L211 HydrophobicContact CB-CG 3.94Å; V195-L211 HydrophobicContact CG1-CD2 4.29Å; V195-L211 HydrophobicContact CG1-CG 4.48Å; V195-L211 HydrophobicContact CG2-CD1 4.16Å; T209-L211 PolarHBondContact O-N 3.28Å; T209-L211 PolarHBondContact OG1-N 3.47Å; L211-L213 VanDerWaalsContact C-N 3.32Å; L211-R219 HydrophobicContact CB-CG 4.27Å; L211-R219 HydrophobicContact CD2-CG 4.44Å; L211-R219 WeakPolarHBondContact O-CD 3.38Å; L211-R219 PolarHBondContact O-NH1 2.92Å; L211-L222 HydrophobicContact CD2-CB 3.68Å; L211-L222 HydrophobicContact CD2-CD1 3.95Å; L211-L222 HydrophobicContact CD2-CG 4.44Å; L211-L223 HydrophobicContact CD1-CD2 3.67Å; L211-L223 HydrophobicContact CD1-CG 4.19Å
212D96.4Very high90.5Very high72 Ų7279.3 Ų79.339%0.38540%0.397SS..Hα-helixtrans-77.7-22.4176.4-55.8-40.9000112.2K208 T209 P210 R219K208-D212 HydrophobicContact CB-CB 4.05Å; K208-D212 HydrophobicContact CG-CB 4.24Å; T209-D212 WeakPolarHBondContact CB-OD2 3.46Å; T209-D212 PolarHBondContact N-OD2 3.27Å; T209-D212 PolarHBondContact O-N 3.1Å; T209-D212 PolarHBondContact OG1-N 3.41Å; T209-D212 PolarHBondContact OG1-OD2 3.06Å; P210-D212 VanDerWaalsContact C-N 3.27Å; P210-D212 PolarHBondContact O-N 3.4Å; D212-R219 IonicContact OD1-CZ 3.73Å; D212-R219 IonicContact OD1-NH1 2.8Å; D212-R219 PolarHBondContact OD1-NH1 3Å; D212-R219 IonicContact OD1-NH2 3.7Å
213L96.2Very high92.2Very high34 Ų3475.4 Ų75.418%0.17839%0.387CS..Hα-helixtrans-85.8-24.4172.8-61.6174.8000112.6H174 C177 E178 K208 T209 P210 L211H174-L213 HydrophobicContact CB-CD1 3.95Å; C177-L213 HydrophobicContact CB-CB 4.21Å; E178-L213 HydrophobicContact CB-CB 4.36Å; E178-L213 HydrophobicContact CB-CD1 4.37Å; K208-L213 HydrophobicContact CB-CD2 4.22Å; K208-L213 HydrophobicContact CB-CG 4.26Å; K208-L213 HydrophobicContact CD-CD2 3.57Å; K208-L213 HydrophobicContact CD-CG 4.4Å; T209-L213 PolarHBondContact O-N 3.02Å; P210-L213 PolarHBondContact O-N 3.02Å; L211-L213 VanDerWaalsContact C-N 3.32Å
214A97.6Very high93.7Very high13 Ų1372.7 Ų72.711%0.10737%0.37CS..SBendtrans-71.2142179.300000112.2C177 P210 L218 R219C177-A214 HydrophobicContact CB-CB 3.97Å; P210-A214 PolarHBondContact O-N 3Å; A214-L218 HydrophobicContact CB-CB 4.16Å; A214-L218 HydrophobicContact CB-CD2 4.07Å; A214-L218 HydrophobicContact CB-CG 4.01Å; A214-R219 HydrophobicContact CB-CB 4.16Å
215N97.5Very high94.9Very high64 Ų6468.8 Ų68.834%0.34234%0.34SS..  trans-63.9164.5167.467.246.9000111.7D180 E217 L218 R219D180-N215 PolarHBondContact OD1-ND2 3.4Å; D180-N215 PolarHBondContact OD2-ND2 3.44Å; N215-E217 PolarHBondContact O-N 3.47Å; N215-E217 VanDerWaalsContact O-N 3.11Å; N215-E217 PolarHBondContact OD1-N 3.32Å; N215-L218 PolarHBondContact O-N 3Å; N215-L218 WeakPolarHBondContact OD1-CB 3.36Å; N215-L218 PolarHBondContact OD1-N 3.39Å; N215-R219 WeakPolarHBondContact O-CB 3.29Å; N215-R219 PolarHBondContact O-N 3.38Å
216S97.3Very high95.7Very high95 Ų9566.4 Ų66.466%0.66433%0.33SS*.Hα-helixtrans-53.5-37.6-173.5-54.50000114.2K220S216-K220 VanDerWaalsContact O-CG 3.29Å; S216-K220 WeakPolarHBondContact O-CG 3.38Å; S216-K220 PolarHBondContact O-N 3.21Å
217E97Very high95.9Very high123 Ų12361.8 Ų61.858%0.57532%0.316SS*.Hα-helixtrans-77-45.8-177.8-173.260.2-165.900111.5N215 R219 K220 R221N215-E217 PolarHBondContact O-N 3.47Å; N215-E217 VanDerWaalsContact O-N 3.11Å; N215-E217 PolarHBondContact OD1-N 3.32Å; E217-R219 VanDerWaalsContact C-N 3.34Å; E217-R219 PolarHBondContact O-N 3.26Å; E217-K220 PolarHBondContact O-N 3.03Å; E217-R221 PolarHBondContact O-N 2.87Å
218L97.6Very high94.8Very high4 Ų466.2 Ų66.22%0.02133%0.334CS..Hα-helixtrans-61.7-44.1175.6-18055.9000110.9R182 A185 A214 N215 K220 R221 L222R182-L218 HydrophobicContact CB-CD1 4.17Å; R182-L218 HydrophobicContact CG-CB 4.41Å; R182-L218 HydrophobicContact CG-CD1 4.14Å; R182-L218 HydrophobicContact CG-CD2 4.26Å; R182-L218 HydrophobicContact CG-CG 4.5Å; A185-L218 HydrophobicContact CB-CD1 4.07Å; A185-L218 HydrophobicContact CB-CD2 4.18Å; A214-L218 HydrophobicContact CB-CB 4.16Å; A214-L218 HydrophobicContact CB-CD2 4.07Å; A214-L218 HydrophobicContact CB-CG 4.01Å; N215-L218 PolarHBondContact O-N 3Å; N215-L218 WeakPolarHBondContact OD1-CB 3.36Å; N215-L218 PolarHBondContact OD1-N 3.39Å; L218-K220 PolarHBondContact O-N 3.11Å; L218-R221 WeakPolarHBondContact O-CB 3.43Å; L218-R221 PolarHBondContact O-N 3.41Å; L218-R221 VanDerWaalsContact O-N 3.11Å; L218-L222 HydrophobicContact CD1-CD1 4.17Å; L218-L222 HydrophobicContact CD1-CD2 4.02Å; L218-L222 HydrophobicContact CD1-CG 3.89Å; L218-L222 HydrophobicContact CG-CD1 4.11Å; L218-L222 HydrophobicContact CG-CG 4.23Å; L218-L222 WeakPolarHBondContact O-CG 3.44Å; L218-L222 PolarHBondContact O-N 3.25Å
219R98.3Very high92.6Very high93 Ų9372.9 Ų72.935%0.35137%0.374SS..Hα-helixtrans-55.2-50.4177-175.9179.4-179.9113.8-2111.8L211 D212 A214 N215 E217 R221 L222 L223L211-R219 HydrophobicContact CB-CG 4.27Å; L211-R219 HydrophobicContact CD2-CG 4.44Å; L211-R219 WeakPolarHBondContact O-CD 3.38Å; L211-R219 PolarHBondContact O-NH1 2.92Å; D212-R219 IonicContact OD1-CZ 3.73Å; D212-R219 IonicContact OD1-NH1 2.8Å; D212-R219 PolarHBondContact OD1-NH1 3Å; D212-R219 IonicContact OD1-NH2 3.7Å; A214-R219 HydrophobicContact CB-CB 4.16Å; N215-R219 WeakPolarHBondContact O-CB 3.29Å; N215-R219 PolarHBondContact O-N 3.38Å; E217-R219 VanDerWaalsContact C-N 3.34Å; E217-R219 PolarHBondContact O-N 3.26Å; R219-R221 VanDerWaalsContact C-N 3.29Å; R219-R221 PolarHBondContact O-N 3.47Å; R219-L222 PolarHBondContact O-N 3.11Å; R219-L223 HydrophobicContact CG-CD1 4.12Å; R219-L223 WeakPolarHBondContact O-CG 3.34Å; R219-L223 PolarHBondContact O-N 2.85Å
220K97.2Very high92.4Very high138 Ų13876 Ų7660%0.639%0.389SS*.Hα-helixtrans-57.6-44.2176.3-74.3172.7-174.5177.60111.5S216 E217 L218 L223 S224S216-K220 VanDerWaalsContact O-CG 3.29Å; S216-K220 WeakPolarHBondContact O-CG 3.38Å; S216-K220 PolarHBondContact O-N 3.21Å; E217-K220 PolarHBondContact O-N 3.03Å; L218-K220 PolarHBondContact O-N 3.11Å; K220-L223 PolarHBondContact O-N 3.09Å; K220-S224 PolarHBondContact O-N 3.42Å; K220-S224 VanDerWaalsContact O-N 3.09Å
221R97.2Very high92.1Very high132 Ų13279.9 Ų79.950%0.49841%0.41SS..Hα-helixtrans-62.8-45.8179.4-177.556170.7173.4-4.1112V186 E217 L218 R219 S224 L225V186-R221 HydrophobicContact CG2-CG 4.12Å; E217-R221 PolarHBondContact O-N 2.87Å; L218-R221 WeakPolarHBondContact O-CB 3.43Å; L218-R221 PolarHBondContact O-N 3.41Å; L218-R221 VanDerWaalsContact O-N 3.11Å; R219-R221 VanDerWaalsContact C-N 3.29Å; R219-R221 PolarHBondContact O-N 3.47Å; R221-S224 PolarHBondContact O-N 3.12Å; R221-S224 PolarHBondContact O-OG 3.29Å; R221-L225 PolarHBondContact O-N 3.17Å
222L97.4Very high91.8Very high0 Ų084.1 Ų84.10%043%0.431CS..Hα-helixtrans-65.9-41.3179.2-61.6-177.4000111.8L173 A185 V186 V189 L211 L218 R219 S224 L225 T226L173-L222 HydrophobicContact CD1-CD1 4.47Å; A185-L222 HydrophobicContact CB-CD1 4.2Å; A185-L222 HydrophobicContact CB-CD2 4.1Å; V186-L222 HydrophobicContact CG2-CD2 4.14Å; V189-L222 HydrophobicContact CB-CD2 4.41Å; V189-L222 HydrophobicContact CG2-CD2 3.89Å; L211-L222 HydrophobicContact CD2-CB 3.68Å; L211-L222 HydrophobicContact CD2-CD1 3.95Å; L211-L222 HydrophobicContact CD2-CG 4.44Å; L218-L222 HydrophobicContact CD1-CD1 4.17Å; L218-L222 HydrophobicContact CD1-CD2 4.02Å; L218-L222 HydrophobicContact CD1-CG 3.89Å; L218-L222 HydrophobicContact CG-CD1 4.11Å; L218-L222 HydrophobicContact CG-CG 4.23Å; L218-L222 WeakPolarHBondContact O-CG 3.44Å; L218-L222 PolarHBondContact O-N 3.25Å; R219-L222 PolarHBondContact O-N 3.11Å; L222-S224 VanDerWaalsContact C-N 3.3Å; L222-S224 PolarHBondContact O-N 2.98Å; L222-L225 WeakPolarHBondContact O-CB 3.46Å; L222-L225 PolarHBondContact O-N 3.03Å; L222-T226 PolarHBondContact O-N 3.25Å; L222-T226 PolarHBondContact O-OG1 3.37Å
223L96.3Very high91.6Very high72 Ų7284.8 Ų84.838%0.37743%0.433SS..Hα-helixtrans-58.9-40.5175.4-75.5170.8000112.5L211 R219 K220 L225 T226 S227L211-L223 HydrophobicContact CD1-CD2 3.67Å; L211-L223 HydrophobicContact CD1-CG 4.19Å; R219-L223 HydrophobicContact CG-CD1 4.12Å; R219-L223 WeakPolarHBondContact O-CG 3.34Å; R219-L223 PolarHBondContact O-N 2.85Å; K220-L223 PolarHBondContact O-N 3.09Å; L223-L225 PolarHBondContact O-N 3.44Å; L223-T226 PolarHBondContact O-N 3.37Å; L223-T226 PolarHBondContact O-OG1 3.09Å; L223-T226 VanDerWaalsContact O-OG1 3.09Å; L223-S227 PolarHBondContact O-N 3.46Å; L223-S227 PolarHBondContact O-OG 3.27Å
224S96Very high91.3Very high60 Ų6087.9 Ų87.942%0.4245%0.449SS..Hα-helixtrans-64.7-20.7176.272.30000114.2K220 R221 L222 S227K220-S224 PolarHBondContact O-N 3.42Å; K220-S224 VanDerWaalsContact O-N 3.09Å; R221-S224 PolarHBondContact O-N 3.12Å; R221-S224 PolarHBondContact O-OG 3.29Å; L222-S224 VanDerWaalsContact C-N 3.3Å; L222-S224 PolarHBondContact O-N 2.98Å; S224-S227 PolarHBondContact O-OG 3.31Å
225L94.7Very high90.8Very high58 Ų5892.9 Ų92.930%0.30447%0.472SS..Hα-helixtrans-88.9-18.9177.4-66.4171000112.4V186 V189 R221 L222 L223V186-L225 HydrophobicContact CB-CD1 4.36Å; V186-L225 HydrophobicContact CG1-CD1 3.88Å; V186-L225 HydrophobicContact CG2-CD1 4.13Å; V189-L225 HydrophobicContact CG1-CB 3.88Å; V189-L225 HydrophobicContact CG1-CD1 4.45Å; R221-L225 PolarHBondContact O-N 3.17Å; L222-L225 WeakPolarHBondContact O-CB 3.46Å; L222-L225 PolarHBondContact O-N 3.03Å; L223-L225 PolarHBondContact O-N 3.44Å
226T92.7Very high90.4Very high53 Ų5395 Ų9533%0.32548%0.481SS..Hα-helixtrans-103.4-18.3-178.7560000113.3V189 V195 L222 L223 K228V189-T226 HydrophobicContact CG1-CG2 3.71Å; V195-T226 HydrophobicContact CG1-CG2 4.05Å; V195-T226 HydrophobicContact CG2-CG2 4Å; L222-T226 PolarHBondContact O-N 3.25Å; L222-T226 PolarHBondContact O-OG1 3.37Å; L223-T226 PolarHBondContact O-N 3.37Å; L223-T226 PolarHBondContact O-OG1 3.09Å; L223-T226 VanDerWaalsContact O-OG1 3.09Å; T226-K228 PolarHBondContact O-N 2.66Å; T226-K228 VanDerWaalsContact O-N 3.12Å
227S87Confident89.8Confident72 Ų7295 Ų9550%0.50347%0.467SS..SBendtrans-63.7110.8169.6520000108.9L223 S224 D229L223-S227 PolarHBondContact O-N 3.46Å; L223-S227 PolarHBondContact O-OG 3.27Å; S224-S227 PolarHBondContact O-OG 3.31Å; S227-D229 PolarHBondContact O-N 3.37Å
228K67.8Low89.2Confident200 Ų20092.7 Ų92.787%0.8746%0.458SS*.  trans-63.2120.5166.4-65.6-179178.51800107.4T226T226-K228 PolarHBondContact O-N 2.66Å; T226-K228 VanDerWaalsContact O-N 3.12Å
229D48.7Very low88.5Confident230 Ų230100.7 Ų100.7100%1.2350%0.498SS*.  trans-58.80148.6-69.4-32.2000108.9S227S227-D229 PolarHBondContact O-N 3.37Å

Retrieved 229 of 229 residues in 145.5 ms (Link to these results)

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