A0A077ZKP4_TRITR Loading...

Predicted CDS Pa 1 9870

AlphaFold DB , UniProt , Accession A0A077ZKP4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 244 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
1M54.4Low50.8Low249 Ų249137.2 Ų137.2100%1.22786%0.855SS**  0113.60-66.5-178.3177.900107.7
2T48.4Very low52Low149 Ų149135.7 Ų135.791%0.91485%0.848SS**  trans-102.5139.6-163.738.60000111.2
3G48.5Very low53Low71 Ų71130.5 Ų130.573%0.73281%0.81SS**  trans118.7113.7151.900000115.9
4Q47.7Very low54.6Low186 Ų186128.6 Ų128.687%0.86979%0.787SS**  173.193.9104.8-89178.4-5.800109.2S6Q4-S6 PolarHBondContact O-N 2.92Å
5S51.2Low56.2Low123 Ų123132 Ų13286%0.8678%0.78SS**  trans-74105161-81.50000108.4S7S5-S7 PolarHBondContact O-N 2.89Å; S5-S7 VanDerWaalsContact O-N 3.13Å
6S50.3Low57.9Low107 Ų107132.8 Ų132.875%0.74877%0.766SS**  trans-7495.5171.1-44.70000109.6Q4 Q8Q4-S6 PolarHBondContact O-N 2.92Å; S6-Q8 PolarHBondContact O-N 3.16Å
7S51.3Low59.4Low116 Ų116129.5 Ų129.581%0.81174%0.74SS**  trans-64.7102165.7-67.70000108.9S5 A9S5-S7 PolarHBondContact O-N 2.89Å; S5-S7 VanDerWaalsContact O-N 3.13Å; S7-A9 PolarHBondContact O-N 3.17Å
8Q46.9Very low60.7Low190 Ų190122.6 Ų122.689%0.88870%0.701SS**  trans-61.5104.6167.4-78.6-175.8-17.900108.5S6 A10S6-Q8 PolarHBondContact O-N 3.16Å; Q8-A10 PolarHBondContact O-N 2.98Å
9A46.7Very low61.9Low95 Ų95119.2 Ų119.279%0.78569%0.689SS**PPolyproline II helixtrans-62.1116.7171.800000109.1S7 T11S7-A9 PolarHBondContact O-N 3.17Å; A9-T11 PolarHBondContact O-N 2.94Å
10A54.7Low63.2Low97 Ų97116.9 Ų116.980%0.80267%0.674SS**PPolyproline II helixtrans-60.9120.9172.100000109Q8Q8-A10 PolarHBondContact O-N 2.98Å
11T59.3Low64.3Low126 Ų126112.1 Ų112.177%0.77365%0.645SS**PPolyproline II helixtrans-61.6134.2174.634.80000109.7A9 I13A9-T11 PolarHBondContact O-N 2.94Å; T11-I13 PolarHBondContact O-N 3.03Å
12P64.2Low65.8Low119 Ų119103.3 Ų103.377%0.77360%0.6SS**PPolyproline II helixtrans-62.8132.7-179.625.3-32.9000109.6Q14P12-Q14 PolarHBondContact O-N 3.05Å
13I65.7Low67.7Low68 Ų68101.3 Ų101.335%0.34958%0.583SS.*PPolyproline II helixtrans-56.3116175.6-67.5169.2000108.2T11 W15T11-I13 PolarHBondContact O-N 3.03Å; I13-W15 VanDerWaalsContact C-N 3.34Å; I13-W15 HydrophobicContact CG2-CG 4.45Å; I13-W15 PolarHBondContact O-N 3.01Å
14Q75.5Confident69.6Low105 Ų105100 Ų10049%0.49156%0.561SS.*  trans-73.784.6177.7-115-173.8-21.800110P12 W16 K17 P18P12-Q14 PolarHBondContact O-N 3.05Å; Q14-W16 VanDerWaalsContact CG-NE1 3.27Å; Q14-W16 PolarHBondContact O-N 2.8Å; Q14-W16 VanDerWaalsContact O-N 3.11Å; Q14-K17 HydrophobicContact CB-CD 4.49Å; Q14-K17 HydrophobicContact CB-CG 4.47Å; Q14-K17 PolarHBondContact O-N 2.86Å; Q14-P18 VanDerWaalsContact O-CD 3.3Å; Q14-P18 WeakPolarHBondContact O-CD 3.28Å
15W78.6Confident71.5Confident179 Ų17992.2 Ų92.268%0.67853%0.526SS*.THydrogen-bonded Turntrans-59.4-20.6-176.4-77.488.2000115.2I13 K17 P18 A19I13-W15 VanDerWaalsContact C-N 3.34Å; I13-W15 HydrophobicContact CG2-CG 4.45Å; I13-W15 PolarHBondContact O-N 3.01Å; W15-K17 VanDerWaalsContact C-N 3.29Å; W15-K17 PolarHBondContact O-N 3.22Å; W15-P18 VanDerWaalsContact O-CD 3.27Å; W15-P18 WeakPolarHBondContact O-CD 3.31Å; W15-P18 VanDerWaalsContact O-CG 3.3Å; W15-P18 WeakPolarHBondContact O-CG 3.48Å; W15-A19 WeakPolarHBondContact O-CB 3.28Å; W15-A19 PolarHBondContact O-N 2.83Å; W15-A19 VanDerWaalsContact O-N 3.16Å
16W82.7Confident73.3Confident145 Ų14591.7 Ų91.755%0.54951%0.513SS..Hα-helixtrans-65.9-29.4176.875.6-78.6000113.1Q14 A19 L20Q14-W16 VanDerWaalsContact CG-NE1 3.27Å; Q14-W16 PolarHBondContact O-N 2.8Å; Q14-W16 VanDerWaalsContact O-N 3.11Å; W16-A19 PolarHBondContact O-N 2.96Å; W16-L20 HydrophobicContact CZ3-CD2 4.26Å; W16-L20 VanDerWaalsContact O-CB 3.31Å; W16-L20 WeakPolarHBondContact O-CB 3.26Å; W16-L20 PolarHBondContact O-N 3.08Å
17K83.3Confident75Confident77 Ų7789.1 Ų89.134%0.33550%0.497SS..Hα-helixtrans-67.8-51.2179.7-61-178.1169.61700112.9Q14 W15 A19 L20 F21 L94Q14-K17 HydrophobicContact CB-CD 4.49Å; Q14-K17 HydrophobicContact CB-CG 4.47Å; Q14-K17 PolarHBondContact O-N 2.86Å; W15-K17 VanDerWaalsContact C-N 3.29Å; W15-K17 PolarHBondContact O-N 3.22Å; K17-A19 VanDerWaalsContact C-N 3.3Å; K17-A19 PolarHBondContact O-N 3.22Å; K17-L20 PolarHBondContact O-N 3.04Å; K17-F21 PolarHBondContact O-N 3.13Å; K17-F21 VanDerWaalsContact O-N 3.07Å; K17-L94 WeakPolarHBondContact CB-O 3.39Å
18P82.9Confident76.6Confident5 Ų584.3 Ų84.33%0.03247%0.466CS..Hα-helixtrans-65-34.5172.424.4-32.3000111.7Q14 W15 L20 F21 F22Q14-P18 VanDerWaalsContact O-CD 3.3Å; Q14-P18 WeakPolarHBondContact O-CD 3.28Å; W15-P18 VanDerWaalsContact O-CD 3.27Å; W15-P18 WeakPolarHBondContact O-CD 3.31Å; W15-P18 VanDerWaalsContact O-CG 3.3Å; W15-P18 WeakPolarHBondContact O-CG 3.48Å; P18-L20 PolarHBondContact O-N 3.05Å; P18-F21 WeakPolarHBondContact O-CB 3.4Å; P18-F21 PolarHBondContact O-N 2.89Å; P18-F22 WeakPolarHBondContact O-CD2 3.44Å; P18-F22 PolarHBondContact O-N 3.05Å
19A84.2Confident78.5Confident58 Ų5875.8 Ų75.848%0.47943%0.427SS..Hα-helixtrans-60.6-43.8174.700000112.1W15 W16 K17 F21 F22 L23W15-A19 WeakPolarHBondContact O-CB 3.28Å; W15-A19 PolarHBondContact O-N 2.83Å; W15-A19 VanDerWaalsContact O-N 3.16Å; W16-A19 PolarHBondContact O-N 2.96Å; K17-A19 VanDerWaalsContact C-N 3.3Å; K17-A19 PolarHBondContact O-N 3.22Å; A19-F21 VanDerWaalsContact C-N 3.32Å; A19-F21 PolarHBondContact O-N 3.16Å; A19-F22 PolarHBondContact O-N 3.37Å; A19-L23 WeakPolarHBondContact O-CB 3.4Å; A19-L23 PolarHBondContact O-N 3.42Å
20L87.4Confident80.2Confident73 Ų7378.3 Ų78.338%0.38242%0.416SS..Hα-helixtrans-61.1-41.9174.5-179.165.2000111.4W16 K17 P18 L23 V24 L94W16-L20 HydrophobicContact CZ3-CD2 4.26Å; W16-L20 VanDerWaalsContact O-CB 3.31Å; W16-L20 WeakPolarHBondContact O-CB 3.26Å; W16-L20 PolarHBondContact O-N 3.08Å; K17-L20 PolarHBondContact O-N 3.04Å; P18-L20 PolarHBondContact O-N 3.05Å; L20-L23 PolarHBondContact O-N 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.25Å; L20-V24 PolarHBondContact O-N 3.41Å; L20-L94 HydrophobicContact CB-CD2 4.06Å; L20-L94 HydrophobicContact CD2-CD2 3.78Å; L20-L94 HydrophobicContact CD2-CG 4.45Å; L20-L94 HydrophobicContact CG-CD2 3.8Å
21F87.4Confident81.5Confident16 Ų1681 Ų817%0.0741%0.407CS..Hα-helixtrans-59.6-51175.3173.1-97.9000111.6K17 P18 A19 L23 V24 V25 L87 L90 I91 L94 I95K17-F21 PolarHBondContact O-N 3.13Å; K17-F21 VanDerWaalsContact O-N 3.07Å; P18-F21 WeakPolarHBondContact O-CB 3.4Å; P18-F21 PolarHBondContact O-N 2.89Å; A19-F21 VanDerWaalsContact C-N 3.32Å; A19-F21 PolarHBondContact O-N 3.16Å; F21-L23 VanDerWaalsContact C-N 3.28Å; F21-L23 PolarHBondContact O-N 2.99Å; F21-V24 PolarHBondContact O-N 2.86Å; F21-V25 HydrophobicContact CD1-CG2 4.06Å; F21-V25 HydrophobicContact CD2-CG2 4.33Å; F21-V25 HydrophobicContact CE1-CG2 3.56Å; F21-V25 HydrophobicContact CE2-CG2 3.86Å; F21-V25 HydrophobicContact CG-CG2 4.43Å; F21-V25 HydrophobicContact CZ-CG2 3.45Å; F21-V25 VanDerWaalsContact CZ-CG2 3.45Å; F21-V25 VanDerWaalsContact O-CG2 3.3Å; F21-V25 WeakPolarHBondContact O-CG2 3.23Å; F21-V25 PolarHBondContact O-N 2.94Å; F21-L87 HydrophobicContact CE2-CD2 4.07Å; F21-L90 HydrophobicContact CD2-CB 4.01Å; F21-L90 HydrophobicContact CE2-CB 4.28Å; F21-I91 HydrophobicContact CD2-CG1 4.37Å; F21-I91 HydrophobicContact CE1-CG1 4.39Å; F21-I91 HydrophobicContact CE2-CB 4.48Å; F21-I91 HydrophobicContact CE2-CD1 4.32Å; F21-I91 HydrophobicContact CE2-CG1 3.4Å; F21-I91 VanDerWaalsContact CE2-CG1 3.4Å; F21-I91 HydrophobicContact CZ-CD1 3.93Å; F21-I91 HydrophobicContact CZ-CG1 3.4Å; F21-I91 VanDerWaalsContact CZ-CG1 3.4Å; F21-L94 HydrophobicContact CB-CB 4.11Å; F21-L94 HydrophobicContact CB-CD2 4.01Å; F21-I95 HydrophobicContact CB-CG1 4.31Å; F21-I95 HydrophobicContact CD1-CD1 3.61Å; F21-I95 HydrophobicContact CD1-CG1 4.09Å; F21-I95 HydrophobicContact CD2-CD1 4.26Å; F21-I95 HydrophobicContact CD2-CG1 4.35Å; F21-I95 HydrophobicContact CE1-CD1 3.64Å; F21-I95 HydrophobicContact CE2-CD1 4.3Å; F21-I95 HydrophobicContact CG-CD1 3.93Å; F21-I95 HydrophobicContact CG-CG1 3.96Å; F21-I95 HydrophobicContact CZ-CD1 3.99Å
22F86.1Confident82.4Confident65 Ų6576.5 Ų76.529%0.28538%0.379SS..Hα-helixtrans-63.4-34.7178.7-78.6-67.6000112.4P18 A19 V25 I26 W99 F118P18-F22 WeakPolarHBondContact O-CD2 3.44Å; P18-F22 PolarHBondContact O-N 3.05Å; A19-F22 PolarHBondContact O-N 3.37Å; F22-V25 PolarHBondContact O-N 3.33Å; F22-I26 WeakPolarHBondContact O-CB 3.44Å; F22-I26 WeakPolarHBondContact O-CD1 3.37Å; F22-I26 WeakPolarHBondContact O-CG1 3.14Å; F22-I26 PolarHBondContact O-N 3.03Å; F22-W99 AromaticContact CE2-CH2 3.69Å; F22-W99 HydrophobicContact CE2-CH2 3.69Å; F22-W99 HydrophobicContact CE2-CZ2 4.18Å; F22-W99 HydrophobicContact CE2-CZ3 4.29Å; F22-W99 AromaticContact CZ-CH2 3.67Å; F22-W99 HydrophobicContact CZ-CH2 3.67Å; F22-W99 HydrophobicContact CZ-CZ2 4.47Å; F22-W99 HydrophobicContact CZ-CZ3 4.28Å; F22-F118 HydrophobicContact CE1-CE1 4.34Å; F22-F118 HydrophobicContact CZ-CE1 4.33Å
23L87.6Confident83.2Confident107 Ų10771.7 Ų71.756%0.5635%0.346SS*.Hα-helixtrans-61.2-49.8173.1-172.9161.2000110.8A19 L20 F21 V25 I26 A27A19-L23 WeakPolarHBondContact O-CB 3.4Å; A19-L23 PolarHBondContact O-N 3.42Å; L20-L23 PolarHBondContact O-N 3.29Å; F21-L23 VanDerWaalsContact C-N 3.28Å; F21-L23 PolarHBondContact O-N 2.99Å; L23-V25 VanDerWaalsContact C-N 3.33Å; L23-V25 PolarHBondContact O-N 3.04Å; L23-I26 PolarHBondContact O-N 3.41Å; L23-A27 VanDerWaalsContact O-CB 3.22Å; L23-A27 WeakPolarHBondContact O-CB 3.16Å; L23-A27 PolarHBondContact O-N 3.46Å
24V88.7Confident83.8Confident43 Ų4372.9 Ų72.926%0.26135%0.346SS..Hα-helixtrans-61.7-42.4178173.70000111.1L20 F21 G28 L87 L90L20-V24 WeakPolarHBondContact O-CG2 3.25Å; L20-V24 PolarHBondContact O-N 3.41Å; F21-V24 PolarHBondContact O-N 2.86Å; V24-G28 WeakPolarHBondContact O-CA 3.26Å; V24-G28 PolarHBondContact O-N 2.98Å; V24-L87 HydrophobicContact CG1-CD2 4.1Å; V24-L90 HydrophobicContact CB-CD2 4.21Å; V24-L90 HydrophobicContact CG1-CD2 3.91Å; V24-L90 HydrophobicContact CG2-CD2 4.23Å
25V87.6Confident84Confident23 Ų2373.2 Ų73.214%0.13935%0.347CS..Hα-helixtrans-59.6-55.4174.8171.10000110.4F21 F22 L23 A27 G28 L29 L87F21-V25 HydrophobicContact CD1-CG2 4.06Å; F21-V25 HydrophobicContact CD2-CG2 4.33Å; F21-V25 HydrophobicContact CE1-CG2 3.56Å; F21-V25 HydrophobicContact CE2-CG2 3.86Å; F21-V25 HydrophobicContact CG-CG2 4.43Å; F21-V25 HydrophobicContact CZ-CG2 3.45Å; F21-V25 VanDerWaalsContact CZ-CG2 3.45Å; F21-V25 VanDerWaalsContact O-CG2 3.3Å; F21-V25 WeakPolarHBondContact O-CG2 3.23Å; F21-V25 PolarHBondContact O-N 2.94Å; F22-V25 PolarHBondContact O-N 3.33Å; L23-V25 VanDerWaalsContact C-N 3.33Å; L23-V25 PolarHBondContact O-N 3.04Å; V25-A27 PolarHBondContact O-N 3.48Å; V25-G28 PolarHBondContact O-N 2.9Å; V25-L29 HydrophobicContact CG1-CD1 3.46Å; V25-L29 VanDerWaalsContact CG1-CD1 3.46Å; V25-L29 HydrophobicContact CG1-CG 4.08Å; V25-L29 WeakPolarHBondContact O-CB 3.31Å; V25-L29 WeakPolarHBondContact O-CG 3.24Å; V25-L29 PolarHBondContact O-N 2.67Å; V25-L87 HydrophobicContact CB-CD2 4.39Å; V25-L87 HydrophobicContact CG2-CD1 4.11Å; V25-L87 HydrophobicContact CG2-CD2 3.42Å; V25-L87 VanDerWaalsContact CG2-CD2 3.42Å; V25-L87 HydrophobicContact CG2-CG 4.37Å
26I87.3Confident83.8Confident112 Ų11267.4 Ų67.457%0.57433%0.333SS*.Hα-helixtrans-61.9-49.4-176.2-69165.1000110.2F22 L23 W30F22-I26 WeakPolarHBondContact O-CB 3.44Å; F22-I26 WeakPolarHBondContact O-CD1 3.37Å; F22-I26 WeakPolarHBondContact O-CG1 3.14Å; F22-I26 PolarHBondContact O-N 3.03Å; L23-I26 PolarHBondContact O-N 3.41Å; I26-W30 WeakPolarHBondContact O-CB 3.18Å; I26-W30 PolarHBondContact O-N 2.96Å
27A87.1Confident83.4Confident52 Ų5265 Ų6543%0.4332%0.324SS..Hα-helixtrans-63.4-45179.900000112L23 V25 W30 Y31L23-A27 VanDerWaalsContact O-CB 3.22Å; L23-A27 WeakPolarHBondContact O-CB 3.16Å; L23-A27 PolarHBondContact O-N 3.46Å; V25-A27 PolarHBondContact O-N 3.48Å; A27-W30 PolarHBondContact O-N 3.03Å; A27-Y31 WeakPolarHBondContact O-CB 3.09Å; A27-Y31 PolarHBondContact O-N 2.67Å
28G85.3Confident83Confident15 Ų1568.2 Ų68.216%0.15534%0.335CS..Hα-helixtrans-66.2-46.4179.600000112.6V24 V25 W30 V32 L83V24-G28 WeakPolarHBondContact O-CA 3.26Å; V24-G28 PolarHBondContact O-N 2.98Å; V25-G28 PolarHBondContact O-N 2.9Å; G28-W30 VanDerWaalsContact C-N 3.32Å; G28-V32 VanDerWaalsContact O-CB 3.3Å; G28-V32 WeakPolarHBondContact O-CB 3.11Å; G28-V32 VanDerWaalsContact O-CG2 3.27Å; G28-V32 WeakPolarHBondContact O-CG2 3.08Å; G28-V32 PolarHBondContact O-N 2.94Å; G28-L83 VanDerWaalsContact C-CD2 3.44Å
29L85.7Confident82.5Confident11 Ų1169.8 Ų69.86%0.05835%0.353CS..Hα-helixtrans-63-41.2175.2-69.6-180000111.5V25 K33 W34 L83 G122 M124V25-L29 HydrophobicContact CG1-CD1 3.46Å; V25-L29 VanDerWaalsContact CG1-CD1 3.46Å; V25-L29 HydrophobicContact CG1-CG 4.08Å; V25-L29 WeakPolarHBondContact O-CB 3.31Å; V25-L29 WeakPolarHBondContact O-CG 3.24Å; V25-L29 PolarHBondContact O-N 2.67Å; L29-K33 WeakPolarHBondContact O-CA 3.43Å; L29-K33 WeakPolarHBondContact O-CB 3.48Å; L29-K33 PolarHBondContact O-N 3.37Å; L29-W34 PolarHBondContact O-N 3.33Å; L29-W34 VanDerWaalsContact O-N 3.1Å; L29-L83 HydrophobicContact CD2-CD2 4.43Å; L29-G122 WeakPolarHBondContact CD2-O 3.46Å; L29-M124 HydrophobicContact CD2-CE 2.96Å; L29-M124 HydrophobicContact CG-CE 4.41Å
30W83.6Confident81.9Confident149 Ų14972.9 Ų72.956%0.56436%0.355SS*.Iπ-helixtrans-61.3-53.3179.3-176.8-94.8000111.1I26 A27 G28 W34 Q35I26-W30 WeakPolarHBondContact O-CB 3.18Å; I26-W30 PolarHBondContact O-N 2.96Å; A27-W30 PolarHBondContact O-N 3.03Å; G28-W30 VanDerWaalsContact C-N 3.32Å; W30-W34 HydrophobicContact CD2-CB 4.15Å; W30-W34 HydrophobicContact CE3-CB 3.67Å; W30-W34 HydrophobicContact CE3-CG 4.09Å; W30-W34 HydrophobicContact CZ3-CB 4.09Å; W30-W34 PolarHBondContact O-N 2.81Å; W30-Q35 WeakPolarHBondContact O-CB 3.21Å; W30-Q35 PolarHBondContact O-N 3.21Å
31Y81.7Confident80.9Confident154 Ų15470.4 Ų70.460%0.60435%0.346SS*.Iπ-helixtrans-64.1-46.7-178.3-179.3-103.6000112.7A27A27-Y31 WeakPolarHBondContact O-CB 3.09Å; A27-Y31 PolarHBondContact O-N 2.67Å
32V78.4Confident80.2Confident30 Ų3074.6 Ų74.618%0.18236%0.364CS..Iπ-helixtrans-80.2-30.8-173.1178.80000112.2G28 P36 K79 A80 L83G28-V32 VanDerWaalsContact O-CB 3.3Å; G28-V32 WeakPolarHBondContact O-CB 3.11Å; G28-V32 VanDerWaalsContact O-CG2 3.27Å; G28-V32 WeakPolarHBondContact O-CG2 3.08Å; G28-V32 PolarHBondContact O-N 2.94Å; V32-P36 WeakPolarHBondContact O-CG 3.2Å; V32-K79 HydrophobicContact CG1-CB 4.17Å; V32-K79 HydrophobicContact CG2-CB 4.47Å; V32-A80 HydrophobicContact CG1-CB 3.89Å; V32-L83 HydrophobicContact CG2-CD2 4.29Å
33K80.4Confident79.2Confident18 Ų1875.1 Ų75.18%0.07837%0.372CS..Iπ-helixtrans-125.1-59.4-169.7-61.7-161.5166.9-174.40114L29 Q35 P36 Y37 M123 M124L29-K33 WeakPolarHBondContact O-CA 3.43Å; L29-K33 WeakPolarHBondContact O-CB 3.48Å; L29-K33 PolarHBondContact O-N 3.37Å; K33-Q35 VanDerWaalsContact C-N 3.33Å; K33-Q35 PolarHBondContact O-N 3.45Å; K33-P36 WeakPolarHBondContact O-CD 3.28Å; K33-P36 VanDerWaalsContact O-CG 3.27Å; K33-P36 WeakPolarHBondContact O-CG 3.32Å; K33-Y37 HydrophobicContact CB-CD2 4.1Å; K33-Y37 HydrophobicContact CB-CE2 4.34Å; K33-Y37 WeakPolarHBondContact O-CB 3.32Å; K33-Y37 WeakPolarHBondContact O-CD2 3.4Å; K33-Y37 PolarHBondContact O-N 3.43Å; K33-M123 HydrophobicContact CB-CE 4.09Å; K33-M123 HydrophobicContact CD-CB 4.1Å; K33-M123 PolarHBondContact NZ-O 3.19Å; K33-M124 HydrophobicContact CD-CE 3.92Å; K33-M124 HydrophobicContact CD-SD 4.39Å; K33-M124 VanDerWaalsContact NZ-CA 3.34Å; K33-M124 PolarHBondContact NZ-SD 3.15Å
34W78.1Confident77.9Confident93 Ų9370.1 Ų70.135%0.35235%0.347SS..Iπ-helixtrans-62.5-43.7-171.8-73.684.9000112L29 W30 Y37 Y38 M123L29-W34 PolarHBondContact O-N 3.33Å; L29-W34 VanDerWaalsContact O-N 3.1Å; W30-W34 HydrophobicContact CD2-CB 4.15Å; W30-W34 HydrophobicContact CE3-CB 3.67Å; W30-W34 HydrophobicContact CE3-CG 4.09Å; W30-W34 HydrophobicContact CZ3-CB 4.09Å; W30-W34 PolarHBondContact O-N 2.81Å; W34-Y37 PolarHBondContact O-N 3Å; W34-Y38 WeakPolarHBondContact O-CB 3.04Å; W34-Y38 PolarHBondContact O-N 3.27Å; W34-M123 HydrophobicContact CD2-CE 3.63Å; W34-M123 HydrophobicContact CE3-CE 4.4Å; W34-M123 HydrophobicContact CG-CE 3.79Å; W34-M123 HydrophobicContact CZ2-CE 3.77Å; W34-M123 HydrophobicContact CZ2-SD 4.45Å
35Q79.7Confident76.8Confident112 Ų11269.9 Ų69.952%0.52335%0.349SS..Hα-helixtrans-57.7-52.2179.9-172.4172.6-5.800113.3W30 K33W30-Q35 WeakPolarHBondContact O-CB 3.21Å; W30-Q35 PolarHBondContact O-N 3.21Å; K33-Q35 VanDerWaalsContact C-N 3.33Å; K33-Q35 PolarHBondContact O-N 3.45Å
36P75.3Confident75.9Confident58 Ų5876.3 Ų76.338%0.37738%0.378SS..Hα-helixtrans-70.2-34.7177.424.8-33.7000113.6V32 K33 K40V32-P36 WeakPolarHBondContact O-CG 3.2Å; K33-P36 WeakPolarHBondContact O-CD 3.28Å; K33-P36 VanDerWaalsContact O-CG 3.27Å; K33-P36 WeakPolarHBondContact O-CG 3.32Å; P36-K40 WeakPolarHBondContact O-CG 3.4Å; P36-K40 PolarHBondContact O-N 3.48Å
37Y74Confident74.8Confident94 Ų9475 Ų7537%0.36938%0.375SS..Hα-helixtrans-73.8-35.2-179.9-78.6-63.9000112.9K33 W34 K40 A41 A159 F163K33-Y37 HydrophobicContact CB-CD2 4.1Å; K33-Y37 HydrophobicContact CB-CE2 4.34Å; K33-Y37 WeakPolarHBondContact O-CB 3.32Å; K33-Y37 WeakPolarHBondContact O-CD2 3.4Å; K33-Y37 PolarHBondContact O-N 3.43Å; W34-Y37 PolarHBondContact O-N 3Å; Y37-K40 CarbonylContact O-C 3.34Å; Y37-K40 PolarHBondContact O-N 3.36Å; Y37-A41 WeakPolarHBondContact O-CB 3.25Å; Y37-A41 PolarHBondContact O-N 3.28Å; Y37-A159 HydrophobicContact CD1-CB 4.12Å; Y37-A159 HydrophobicContact CG-CB 4.12Å; Y37-F163 AromaticContact CD1-CE2 3.64Å; Y37-F163 HydrophobicContact CD1-CE2 3.64Å; Y37-F163 AromaticContact CD1-CZ 3.98Å; Y37-F163 HydrophobicContact CD1-CZ 3.98Å; Y37-F163 HydrophobicContact CE1-CE2 4.04Å
38Y73.6Confident73.6Confident144 Ų14478.7 Ų78.757%0.56538%0.383SS*.Hα-helixtrans-59.5-51.5176.5-171.1-103.5000109.9W34 K40 A41 F42W34-Y38 WeakPolarHBondContact O-CB 3.04Å; W34-Y38 PolarHBondContact O-N 3.27Å; Y38-K40 VanDerWaalsContact C-N 3.31Å; Y38-K40 PolarHBondContact O-N 3.05Å; Y38-A41 WeakPolarHBondContact O-CB 3.27Å; Y38-A41 PolarHBondContact O-N 3.41Å; Y38-F42 HydrophobicContact CD1-CD2 4.11Å; Y38-F42 AromaticContact CD1-CE2 3.46Å; Y38-F42 HydrophobicContact CD1-CE2 3.46Å; Y38-F42 VanDerWaalsContact CD1-CE2 3.46Å; Y38-F42 HydrophobicContact CD1-CZ 4.42Å; Y38-F42 AromaticContact CD2-CE2 3.78Å; Y38-F42 HydrophobicContact CD2-CE2 3.78Å; Y38-F42 HydrophobicContact CD2-CZ 4.39Å; Y38-F42 HydrophobicContact CE1-CD2 4.08Å; Y38-F42 AromaticContact CE1-CE2 3.16Å; Y38-F42 HydrophobicContact CE1-CE2 3.16Å; Y38-F42 AromaticContact CE1-CZ 3.74Å; Y38-F42 HydrophobicContact CE1-CZ 3.74Å; Y38-F42 AromaticContact CE2-CE2 3.5Å; Y38-F42 HydrophobicContact CE2-CE2 3.5Å; Y38-F42 AromaticContact CE2-CZ 3.7Å; Y38-F42 HydrophobicContact CE2-CZ 3.7Å; Y38-F42 HydrophobicContact CG-CD2 4.49Å; Y38-F42 AromaticContact CG-CE2 3.75Å; Y38-F42 HydrophobicContact CG-CE2 3.75Å; Y38-F42 AromaticContact CZ-CE2 3.18Å; Y38-F42 AromaticContact CZ-CZ 3.32Å; Y38-F42 WeakPolarHBondContact O-CD2 3.48Å; Y38-F42 WeakPolarHBondContact O-CE2 3.47Å; Y38-F42 PolarHBondContact O-N 3.28Å; Y38-F42 VanDerWaalsContact OH-CZ 3.3Å; Y38-F42 WeakPolarHBondContact OH-CZ 3.4Å
39G72.7Confident72.6Confident39 Ų3980.8 Ų80.840%0.40240%0.395SS..Hα-helixtrans-60.4-38.1175.900000113.6A41 T43G39-A41 VanDerWaalsContact C-N 3.34Å; G39-A41 PolarHBondContact O-N 2.95Å; G39-T43 PolarHBondContact O-N 3.46Å; G39-T43 PolarHBondContact O-OG1 3.12Å
40K71.3Confident71.3Confident122 Ų12286 Ų8653%0.5342%0.422SS..Hα-helixtrans-67.9-31.3174.7-73.5177.7-176.2-72.20112.9P36 Y37 Y38 T43 A44 F163P36-K40 WeakPolarHBondContact O-CG 3.4Å; P36-K40 PolarHBondContact O-N 3.48Å; Y37-K40 CarbonylContact O-C 3.34Å; Y37-K40 PolarHBondContact O-N 3.36Å; Y38-K40 VanDerWaalsContact C-N 3.31Å; Y38-K40 PolarHBondContact O-N 3.05Å; K40-T43 WeakPolarHBondContact CA-OG1 2.93Å; K40-T43 PolarHBondContact O-OG1 3.08Å; K40-A44 VanDerWaalsContact O-CB 3.27Å; K40-A44 WeakPolarHBondContact O-CB 3.03Å; K40-A44 PolarHBondContact O-N 3.35Å; K40-F163 HydrophobicContact CB-CE1 4.22Å; K40-F163 HydrophobicContact CB-CZ 3.88Å
41A67.4Low70.4Confident22 Ų2281 Ų8118%0.18242%0.417CS..Hα-helixtrans-67-40.1178.100000112Y37 Y38 G39 A44 A45 V162 F163Y37-A41 WeakPolarHBondContact O-CB 3.25Å; Y37-A41 PolarHBondContact O-N 3.28Å; Y38-A41 WeakPolarHBondContact O-CB 3.27Å; Y38-A41 PolarHBondContact O-N 3.41Å; G39-A41 VanDerWaalsContact C-N 3.34Å; G39-A41 PolarHBondContact O-N 2.95Å; A41-A44 PolarHBondContact O-N 3.35Å; A41-A45 WeakPolarHBondContact O-CB 3.09Å; A41-A45 PolarHBondContact O-N 2.82Å; A41-V162 HydrophobicContact CB-CG1 4.39Å; A41-F163 HydrophobicContact CB-CE1 4.42Å
42F71.5Confident69.4Low104 Ų10483.3 Ų83.346%0.45643%0.43SS..Hα-helixtrans-66.9-45.2175.3-67.7-78.2000112.1Y38 A44 A45 E46Y38-F42 HydrophobicContact CD1-CD2 4.11Å; Y38-F42 AromaticContact CD1-CE2 3.46Å; Y38-F42 HydrophobicContact CD1-CE2 3.46Å; Y38-F42 VanDerWaalsContact CD1-CE2 3.46Å; Y38-F42 HydrophobicContact CD1-CZ 4.42Å; Y38-F42 AromaticContact CD2-CE2 3.78Å; Y38-F42 HydrophobicContact CD2-CE2 3.78Å; Y38-F42 HydrophobicContact CD2-CZ 4.39Å; Y38-F42 HydrophobicContact CE1-CD2 4.08Å; Y38-F42 AromaticContact CE1-CE2 3.16Å; Y38-F42 HydrophobicContact CE1-CE2 3.16Å; Y38-F42 AromaticContact CE1-CZ 3.74Å; Y38-F42 HydrophobicContact CE1-CZ 3.74Å; Y38-F42 AromaticContact CE2-CE2 3.5Å; Y38-F42 HydrophobicContact CE2-CE2 3.5Å; Y38-F42 AromaticContact CE2-CZ 3.7Å; Y38-F42 HydrophobicContact CE2-CZ 3.7Å; Y38-F42 HydrophobicContact CG-CD2 4.49Å; Y38-F42 AromaticContact CG-CE2 3.75Å; Y38-F42 HydrophobicContact CG-CE2 3.75Å; Y38-F42 AromaticContact CZ-CE2 3.18Å; Y38-F42 AromaticContact CZ-CZ 3.32Å; Y38-F42 WeakPolarHBondContact O-CD2 3.48Å; Y38-F42 WeakPolarHBondContact O-CE2 3.47Å; Y38-F42 PolarHBondContact O-N 3.28Å; Y38-F42 VanDerWaalsContact OH-CZ 3.3Å; Y38-F42 WeakPolarHBondContact OH-CZ 3.4Å; F42-A44 VanDerWaalsContact C-N 3.3Å; F42-A44 PolarHBondContact O-N 2.95Å; F42-A45 WeakPolarHBondContact O-CB 3.21Å; F42-A45 PolarHBondContact O-N 3.42Å; F42-A45 VanDerWaalsContact O-N 3.13Å; F42-E46 PolarHBondContact O-N 2.98Å; F42-E46 VanDerWaalsContact O-N 3.07Å
43T65.5Low68.7Low75 Ų7585.9 Ų85.946%0.4645%0.45SS..Hα-helixtrans-62.8-37.917749.30000112.1G39 K40 E46 T47G39-T43 PolarHBondContact O-N 3.46Å; G39-T43 PolarHBondContact O-OG1 3.12Å; K40-T43 WeakPolarHBondContact CA-OG1 2.93Å; K40-T43 PolarHBondContact O-OG1 3.08Å; T43-E46 PolarHBondContact O-N 2.6Å; T43-T47 WeakPolarHBondContact O-CB 3.45Å; T43-T47 PolarHBondContact O-N 3.26Å; T43-T47 PolarHBondContact O-OG1 3.46Å
44A60.6Low67.7Low2 Ų288.4 Ų88.42%0.01746%0.463CS..Hα-helixtrans-68.3-34.517400000112.8K40 A41 F42 E46 H48 F163K40-A44 VanDerWaalsContact O-CB 3.27Å; K40-A44 WeakPolarHBondContact O-CB 3.03Å; K40-A44 PolarHBondContact O-N 3.35Å; A41-A44 PolarHBondContact O-N 3.35Å; F42-A44 VanDerWaalsContact C-N 3.3Å; F42-A44 PolarHBondContact O-N 2.95Å; A44-E46 VanDerWaalsContact C-N 3.32Å; A44-H48 WeakPolarHBondContact O-CA 3.4Å; A44-H48 PolarHBondContact O-N 2.97Å; A44-F163 HydrophobicContact CB-CD1 3.92Å; A44-F163 HydrophobicContact CB-CE1 3.97Å
45A65.5Low66.9Low38 Ų3889.7 Ų89.731%0.31448%0.476SS..Hα-helixtrans-65.6-35175.400000112.1A41 F42 F166A41-A45 WeakPolarHBondContact O-CB 3.09Å; A41-A45 PolarHBondContact O-N 2.82Å; F42-A45 WeakPolarHBondContact O-CB 3.21Å; F42-A45 PolarHBondContact O-N 3.42Å; F42-A45 VanDerWaalsContact O-N 3.13Å; A45-F166 HydrophobicContact CB-CD1 4.5Å; A45-F166 HydrophobicContact CB-CE1 4.03Å; A45-F166 HydrophobicContact CB-CE2 4.13Å; A45-F166 HydrophobicContact CB-CZ 3.83Å
46E68.4Low66Low158 Ų15887.8 Ų87.874%0.73848%0.48SS*.Hα-helixtrans-82-40.8179.2-69.7176.9175.500113.2F42 T43 A44F42-E46 PolarHBondContact O-N 2.98Å; F42-E46 VanDerWaalsContact O-N 3.07Å; T43-E46 PolarHBondContact O-N 2.6Å; A44-E46 VanDerWaalsContact C-N 3.32Å
47T64Low65.1Low86 Ų8691.4 Ų91.453%0.52849%0.492SS..Hα-helixtrans-97.1-8.6-170.160.40000114T43 S49T43-T47 WeakPolarHBondContact O-CB 3.45Å; T43-T47 PolarHBondContact O-N 3.26Å; T43-T47 PolarHBondContact O-OG1 3.46Å; T47-S49 PolarHBondContact O-N 3.2Å; T47-S49 PolarHBondContact OG1-N 3.35Å; T47-S49 PolarHBondContact OG1-O 2.92Å; T47-S49 VanDerWaalsContact OG1-O 3.08Å
48H63.9Low64.6Low129 Ų12988.4 Ų88.460%0.59749%0.486SS*.SBendtrans47.120.9-167.4-74.8-90.1000113.5A44 F166A44-H48 WeakPolarHBondContact O-CA 3.4Å; A44-H48 PolarHBondContact O-N 2.97Å; H48-F166 PolarHBondContact ND1-O 3.42Å
49S62.5Low64.2Low58 Ų5889.2 Ų89.241%0.40650%0.501SS..SBendtrans-132.6135.7-174.4179.70000109.5T47 G51T47-S49 PolarHBondContact O-N 3.2Å; T47-S49 PolarHBondContact OG1-N 3.35Å; T47-S49 PolarHBondContact OG1-O 2.92Å; T47-S49 VanDerWaalsContact OG1-O 3.08Å; S49-G51 PolarHBondContact O-N 3.46Å; S49-G51 PolarHBondContact OG-N 2.84Å
50I60.2Low64.1Low120 Ų12091.9 Ų91.962%0.61552%0.518SS*.  trans-81.17.6179.9-68.6170.7000111.4F163 V167I50-F163 HydrophobicContact CD1-CB 4.29Å; I50-V167 HydrophobicContact CD1-CG2 3.61Å; I50-V167 HydrophobicContact CG1-CG2 3.82Å
51G62.8Low64.5Low45 Ų4588.9 Ų88.946%0.46451%0.508SS..SBendtrans102.8176.6-175.700000112S49 S53S49-G51 PolarHBondContact O-N 3.46Å; S49-G51 PolarHBondContact OG-N 2.84Å; G51-S53 PolarHBondContact O-N 3.2Å
52K61.4Low65.2Low202 Ų20291.8 Ų91.888%0.87853%0.525SS*.SBendtrans-61.1122.2178.2-69.2-176.4179.6179.50109.6I54K52-I54 PolarHBondContact O-N 3.3Å; K52-I54 VanDerWaalsContact O-N 3.16Å
53S63.4Low65.8Low85 Ų8596.6 Ų96.659%0.59454%0.54SS*.  trans-56.8118.2172.8-58.30000109.3G51 L55 A56G51-S53 PolarHBondContact O-N 3.2Å; S53-L55 PolarHBondContact O-N 2.78Å; S53-L55 VanDerWaalsContact O-N 3.07Å; S53-A56 VanDerWaalsContact O-CB 3.23Å; S53-A56 WeakPolarHBondContact O-CB 3.3Å; S53-A56 PolarHBondContact O-N 3.16Å
54I60.7Low66.6Low70 Ų7098.5 Ų98.536%0.35954%0.544SS..G310 helixtrans-59.3-20.2175.1-61.1-49.3000111.7K52 A56 I72K52-I54 PolarHBondContact O-N 3.3Å; K52-I54 VanDerWaalsContact O-N 3.16Å; I54-A56 VanDerWaalsContact C-N 3.32Å; I54-I72 HydrophobicContact CD1-CD1 4.42Å; I54-I72 HydrophobicContact CG1-CD1 4.48Å
55L61.1Low67.7Low120 Ų12099.2 Ų99.263%0.62855%0.55SS**G310 helixtrans-79.3-6.7174-80.376.9000114.2S53 Q57 A58S53-L55 PolarHBondContact O-N 2.78Å; S53-L55 VanDerWaalsContact O-N 3.07Å; L55-Q57 PolarHBondContact O-N 3.42Å; L55-Q57 VanDerWaalsContact O-N 3.1Å; L55-A58 WeakPolarHBondContact O-CB 3.38Å; L55-A58 PolarHBondContact O-N 3.27Å
56A59.7Low68.6Low72 Ų7299.9 Ų99.960%0.59556%0.556SS**G310 helixtrans-65.1-14.6179.800000113.4S53 I54S53-A56 VanDerWaalsContact O-CB 3.23Å; S53-A56 WeakPolarHBondContact O-CB 3.3Å; S53-A56 PolarHBondContact O-N 3.16Å; I54-A56 VanDerWaalsContact C-N 3.32Å
57Q58Low69.5Low134 Ų13498 Ų9863%0.62655%0.55SS**G310 helixtrans-106.16.6173.7-69.8124.3-6.400113.6L55 D59 A60L55-Q57 PolarHBondContact O-N 3.42Å; L55-Q57 VanDerWaalsContact O-N 3.1Å; Q57-D59 PolarHBondContact O-N 3.38Å; Q57-D59 VanDerWaalsContact O-N 3.15Å; Q57-A60 PolarHBondContact O-N 3.31Å
58A61.7Low70.5Confident31 Ų3198.4 Ų98.426%0.25655%0.549SS..THydrogen-bonded Turntrans-59.3-28.8-178.300000112.7L55 A60L55-A58 WeakPolarHBondContact O-CB 3.38Å; L55-A58 PolarHBondContact O-N 3.27Å; A58-A60 VanDerWaalsContact C-N 3.31Å; A58-A60 PolarHBondContact O-N 2.88Å
59D65.3Low71.6Confident162 Ų16298.2 Ų98.287%0.86654%0.544SS*.THydrogen-bonded Turntrans-70.9-24-177.4-56.6-34.9000113.4Q57Q57-D59 PolarHBondContact O-N 3.38Å; Q57-D59 VanDerWaalsContact O-N 3.15Å
60A71.4Confident72.9Confident94 Ų9497.9 Ų97.978%0.77755%0.545SS*.THydrogen-bonded Turntrans-89.9-39.8-177.300000112.9Q57 A58Q57-A60 PolarHBondContact O-N 3.31Å; A58-A60 VanDerWaalsContact C-N 3.31Å; A58-A60 PolarHBondContact O-N 2.88Å
61N79.3Confident74.2Confident59 Ų5997.5 Ų97.532%0.31654%0.542SS..  trans-154.794.1176.3-163.1-25.7000111.3W63 Q64 A65N61-W63 VanDerWaalsContact C-N 3.3Å; N61-W63 PolarHBondContact O-N 2.97Å; N61-Q64 HydrophobicContact CB-CB 4.15Å; N61-Q64 HydrophobicContact CB-CG 4.35Å; N61-Q64 PolarHBondContact ND2-NE2 2.93Å; N61-Q64 PolarHBondContact ND2-OE1 2.93Å; N61-Q64 PolarHBondContact O-N 3.45Å; N61-A65 PolarHBondContact O-N 3.3Å; N61-A65 VanDerWaalsContact O-N 3.11Å
62P82Confident75.3Confident83 Ų83100 Ų10054%0.53954%0.543SS..Hα-helixtrans-65.2-32.6-171.224.6-34.3000113A66P62-A66 WeakPolarHBondContact O-CB 3.03Å; P62-A66 PolarHBondContact O-N 3.44Å
63W85.1Confident76.5Confident205 Ų20596 Ų9678%0.77752%0.524SS*.Hα-helixtrans-70.1-40.2179.8-73.6107.4000112.3N61 A66 L67N61-W63 VanDerWaalsContact C-N 3.3Å; N61-W63 PolarHBondContact O-N 2.97Å; W63-A66 PolarHBondContact O-N 3.34Å; W63-L67 WeakPolarHBondContact O-CG 3.27Å; W63-L67 PolarHBondContact O-N 3.25Å
64Q82.2Confident77.8Confident115 Ų11598.2 Ų98.254%0.53752%0.523SS..Hα-helixtrans-67.5-45.8176-72177.6-14.400110.8N61 A66 L67 D68N61-Q64 HydrophobicContact CB-CB 4.15Å; N61-Q64 HydrophobicContact CB-CG 4.35Å; N61-Q64 PolarHBondContact ND2-NE2 2.93Å; N61-Q64 PolarHBondContact ND2-OE1 2.93Å; N61-Q64 PolarHBondContact O-N 3.45Å; Q64-A66 VanDerWaalsContact C-N 3.26Å; Q64-A66 PolarHBondContact O-N 3.34Å; Q64-L67 PolarHBondContact O-N 2.99Å; Q64-L67 VanDerWaalsContact O-N 3.11Å; Q64-D68 WeakPolarHBondContact O-CB 3.28Å; Q64-D68 VanDerWaalsContact O-CG 3.28Å; Q64-D68 PolarHBondContact O-N 2.99Å
65A82.2Confident78.9Confident17 Ų1799.5 Ų99.514%0.1453%0.53CS..Hα-helixtrans-58.1-38.717600000112.4N61 Y69N61-A65 PolarHBondContact O-N 3.3Å; N61-A65 VanDerWaalsContact O-N 3.11Å; A65-Y69 VanDerWaalsContact O-CB 3.29Å; A65-Y69 WeakPolarHBondContact O-CB 3.36Å; A65-Y69 PolarHBondContact O-N 2.82Å
66A85.8Confident80Confident53 Ų5396.9 Ų96.944%0.43853%0.525SS..Hα-helixtrans-66.1-43.5175.300000112.6P62 W63 Q64 A70P62-A66 WeakPolarHBondContact O-CB 3.03Å; P62-A66 PolarHBondContact O-N 3.44Å; W63-A66 PolarHBondContact O-N 3.34Å; Q64-A66 VanDerWaalsContact C-N 3.26Å; Q64-A66 PolarHBondContact O-N 3.34Å; A66-A70 VanDerWaalsContact O-CB 3.29Å; A66-A70 WeakPolarHBondContact O-CB 3.48Å; A66-A70 PolarHBondContact O-N 2.89Å
67L87.7Confident81.3Confident119 Ų11995 Ų9562%0.62351%0.506SS*.Hα-helixtrans-66.9-40.4176.9-72.3174.1000112W63 Q64 A70 M71W63-L67 WeakPolarHBondContact O-CG 3.27Å; W63-L67 PolarHBondContact O-N 3.25Å; Q64-L67 PolarHBondContact O-N 2.99Å; Q64-L67 VanDerWaalsContact O-N 3.11Å; L67-A70 PolarHBondContact O-N 2.91Å; L67-M71 WeakPolarHBondContact O-CB 3.42Å; L67-M71 PolarHBondContact O-N 2.79Å
68D84.7Confident82.7Confident94 Ų9493.9 Ų93.950%0.50350%0.497SS..Hα-helixtrans-64.4-45.4176.2-70.2-28.7000110.9Q64 M71 I72Q64-D68 WeakPolarHBondContact O-CB 3.28Å; Q64-D68 VanDerWaalsContact O-CG 3.28Å; Q64-D68 PolarHBondContact O-N 2.99Å; D68-M71 PolarHBondContact O-N 3.36Å; D68-I72 WeakPolarHBondContact O-CB 3.44Å; D68-I72 WeakPolarHBondContact O-CD1 3.43Å; D68-I72 VanDerWaalsContact O-CG1 3.23Å; D68-I72 WeakPolarHBondContact O-CG1 3.4Å; D68-I72 PolarHBondContact O-N 2.99Å
69Y86.4Confident83.9Confident125 Ų12597 Ų9749%0.4950%0.504SS..Hα-helixtrans-59.6-47.6173.8178.8-95.9000111.5A65 M71 I72 Y73A65-Y69 VanDerWaalsContact O-CB 3.29Å; A65-Y69 WeakPolarHBondContact O-CB 3.36Å; A65-Y69 PolarHBondContact O-N 2.82Å; Y69-M71 VanDerWaalsContact C-N 3.35Å; Y69-M71 PolarHBondContact O-N 2.85Å; Y69-I72 PolarHBondContact O-N 2.89Å; Y69-Y73 VanDerWaalsContact O-CB 3.23Å; Y69-Y73 WeakPolarHBondContact O-CB 3.37Å; Y69-Y73 PolarHBondContact O-N 3.19Å
70A89.1Confident85Confident51 Ų5189.5 Ų89.542%0.42147%0.465SS..Hα-helixtrans-61.1-42.7178.800000111.7A66 L67 F74A66-A70 VanDerWaalsContact O-CB 3.29Å; A66-A70 WeakPolarHBondContact O-CB 3.48Å; A66-A70 PolarHBondContact O-N 2.89Å; L67-A70 PolarHBondContact O-N 2.91Å; A70-F74 WeakPolarHBondContact O-CB 3.48Å; A70-F74 PolarHBondContact O-N 3.18Å
71M89Confident85.8Confident112 Ų11286.7 Ų86.755%0.55244%0.441SS*.Hα-helixtrans-65.6-48178.2-174.764.873.500111.6L67 D68 Y69 Y73 F74 L75L67-M71 WeakPolarHBondContact O-CB 3.42Å; L67-M71 PolarHBondContact O-N 2.79Å; D68-M71 PolarHBondContact O-N 3.36Å; Y69-M71 VanDerWaalsContact C-N 3.35Å; Y69-M71 PolarHBondContact O-N 2.85Å; M71-Y73 VanDerWaalsContact C-N 3.33Å; M71-Y73 PolarHBondContact O-N 3.38Å; M71-F74 PolarHBondContact O-N 2.94Å; M71-L75 HydrophobicContact CG-CD1 4.06Å; M71-L75 HydrophobicContact CG-CG 4.47Å; M71-L75 VanDerWaalsContact O-CB 3.32Å; M71-L75 WeakPolarHBondContact O-CB 3.42Å; M71-L75 VanDerWaalsContact O-CG 3.28Å; M71-L75 WeakPolarHBondContact O-CG 3.18Å; M71-L75 PolarHBondContact O-N 3.03Å; M71-L75 HydrophobicContact SD-CD1 4.33Å; M71-L75 HydrophobicContact SD-CG 4.32Å
72I85.7Confident86.4Confident96 Ų9687.6 Ų87.649%0.49245%0.449SS..Hα-helixtrans-61-45.4177.9-68.6166000110.2I54 D68 Y69 L75 A76I54-I72 HydrophobicContact CD1-CD1 4.42Å; I54-I72 HydrophobicContact CG1-CD1 4.48Å; D68-I72 WeakPolarHBondContact O-CB 3.44Å; D68-I72 WeakPolarHBondContact O-CD1 3.43Å; D68-I72 VanDerWaalsContact O-CG1 3.23Å; D68-I72 WeakPolarHBondContact O-CG1 3.4Å; D68-I72 PolarHBondContact O-N 2.99Å; Y69-I72 PolarHBondContact O-N 2.89Å; I72-L75 PolarHBondContact O-N 3.23Å; I72-A76 WeakPolarHBondContact O-CB 3.41Å; I72-A76 PolarHBondContact O-N 3.47Å
73Y85.9Confident86.7Confident120 Ų12084.5 Ų84.547%0.47143%0.428SS..Hα-helixtrans-65.4-44.2178.6-168.6-103.1000111.5Y69 M71 A76 V77Y69-Y73 VanDerWaalsContact O-CB 3.23Å; Y69-Y73 WeakPolarHBondContact O-CB 3.37Å; Y69-Y73 PolarHBondContact O-N 3.19Å; M71-Y73 VanDerWaalsContact C-N 3.33Å; M71-Y73 PolarHBondContact O-N 3.38Å; Y73-A76 PolarHBondContact O-N 2.88Å; Y73-V77 HydrophobicContact CD1-CG2 3.96Å; Y73-V77 HydrophobicContact CD2-CG2 4.38Å; Y73-V77 HydrophobicContact CE1-CG2 3.62Å; Y73-V77 HydrophobicContact CE2-CG2 4.07Å; Y73-V77 HydrophobicContact CG-CG2 4.33Å; Y73-V77 WeakPolarHBondContact O-CB 3.44Å; Y73-V77 VanDerWaalsContact O-CG2 3.29Å; Y73-V77 WeakPolarHBondContact O-CG2 3.35Å; Y73-V77 PolarHBondContact O-N 3.24Å
74F90.1Very high86.9Confident131 Ų13174.8 Ų74.858%0.57539%0.391SS*.Hα-helixtrans-59.3-49.7176.3179.4-100.3000111.2A70 M71 A76 V77 W78A70-F74 WeakPolarHBondContact O-CB 3.48Å; A70-F74 PolarHBondContact O-N 3.18Å; M71-F74 PolarHBondContact O-N 2.94Å; F74-A76 PolarHBondContact O-N 3.46Å; F74-V77 PolarHBondContact O-N 2.88Å; F74-V77 VanDerWaalsContact O-N 3.07Å; F74-W78 HydrophobicContact CE1-CB 4.48Å; F74-W78 HydrophobicContact CZ-CB 4.31Å; F74-W78 PolarHBondContact O-N 3.09Å
75L85.6Confident87.3Confident96 Ų9673.6 Ų73.650%0.50339%0.392SS..Hα-helixtrans-60.1-29177.8-74.7176.2000113.2M71 I72 W78M71-L75 HydrophobicContact CG-CD1 4.06Å; M71-L75 HydrophobicContact CG-CG 4.47Å; M71-L75 VanDerWaalsContact O-CB 3.32Å; M71-L75 WeakPolarHBondContact O-CB 3.42Å; M71-L75 VanDerWaalsContact O-CG 3.28Å; M71-L75 WeakPolarHBondContact O-CG 3.18Å; M71-L75 PolarHBondContact O-N 3.03Å; M71-L75 HydrophobicContact SD-CD1 4.33Å; M71-L75 HydrophobicContact SD-CG 4.32Å; I72-L75 PolarHBondContact O-N 3.23Å; L75-W78 VanDerWaalsContact C-CD1 3.42Å; L75-W78 VanDerWaalsContact CA-CD1 3.42Å; L75-W78 PolarHBondContact O-NE1 2.77Å
76A82.6Confident87.7Confident65 Ų6576.3 Ų76.354%0.53740%0.403SS..Hα-helixtrans-78.8-39.9172.900000112.6I72 Y73 F74I72-A76 WeakPolarHBondContact O-CB 3.41Å; I72-A76 PolarHBondContact O-N 3.47Å; Y73-A76 PolarHBondContact O-N 2.88Å; F74-A76 PolarHBondContact O-N 3.46Å
77V87Confident87.9Confident32 Ų3274.3 Ų74.319%0.19439%0.385CS..Hα-helixtrans-84.3-35.2-171.3173.60000113.2Y73 F74 K79 A80 A81Y73-V77 HydrophobicContact CD1-CG2 3.96Å; Y73-V77 HydrophobicContact CD2-CG2 4.38Å; Y73-V77 HydrophobicContact CE1-CG2 3.62Å; Y73-V77 HydrophobicContact CE2-CG2 4.07Å; Y73-V77 HydrophobicContact CG-CG2 4.33Å; Y73-V77 WeakPolarHBondContact O-CB 3.44Å; Y73-V77 VanDerWaalsContact O-CG2 3.29Å; Y73-V77 WeakPolarHBondContact O-CG2 3.35Å; Y73-V77 PolarHBondContact O-N 3.24Å; F74-V77 PolarHBondContact O-N 2.88Å; F74-V77 VanDerWaalsContact O-N 3.07Å; V77-K79 VanDerWaalsContact C-N 3.31Å; V77-K79 PolarHBondContact O-N 3Å; V77-A80 CarbonylContact O-C 3.4Å; V77-A80 WeakPolarHBondContact O-CA 3.16Å; V77-A80 WeakPolarHBondContact O-CB 3.26Å; V77-A80 PolarHBondContact O-N 3.22Å; V77-A81 PolarHBondContact O-N 2.88Å
78W88.8Confident88Confident112 Ų11268.7 Ų68.742%0.42436%0.356SS..Hα-helixtrans-58-40.6-172.575.7-80.2000113.1F74 L75 A80 A81 V82F74-W78 HydrophobicContact CE1-CB 4.48Å; F74-W78 HydrophobicContact CZ-CB 4.31Å; F74-W78 PolarHBondContact O-N 3.09Å; L75-W78 VanDerWaalsContact C-CD1 3.42Å; L75-W78 VanDerWaalsContact CA-CD1 3.42Å; L75-W78 PolarHBondContact O-NE1 2.77Å; W78-A80 VanDerWaalsContact C-N 3.31Å; W78-A80 PolarHBondContact O-N 3.47Å; W78-A81 PolarHBondContact O-N 3.33Å; W78-V82 HydrophobicContact CE3-CG2 4.4Å; W78-V82 WeakPolarHBondContact O-CG2 3.5Å; W78-V82 PolarHBondContact O-N 2.9Å
79K87Confident88.1Confident96 Ų9667 Ų6742%0.41735%0.351SS..Hα-helixtrans-60.9-42.3176.1-61.7-176.8-177.9178.20111.4V32 V77 L83V32-K79 HydrophobicContact CG1-CB 4.17Å; V32-K79 HydrophobicContact CG2-CB 4.47Å; V77-K79 VanDerWaalsContact C-N 3.31Å; V77-K79 PolarHBondContact O-N 3Å; K79-L83 PolarHBondContact O-N 3.44Å; K79-L83 VanDerWaalsContact O-N 3.12Å
80A87.1Confident88.2Confident4 Ų462.7 Ų62.73%0.03334%0.337CS..Hα-helixtrans-70-35.6176.900000111.9V32 V77 W78 L83 G84 C128V32-A80 HydrophobicContact CG1-CB 3.89Å; V77-A80 CarbonylContact O-C 3.4Å; V77-A80 WeakPolarHBondContact O-CA 3.16Å; V77-A80 WeakPolarHBondContact O-CB 3.26Å; V77-A80 PolarHBondContact O-N 3.22Å; W78-A80 VanDerWaalsContact C-N 3.31Å; W78-A80 PolarHBondContact O-N 3.47Å; A80-L83 PolarHBondContact O-N 3.26Å; A80-G84 PolarHBondContact O-N 3.49Å; A80-C128 PolarHBondContact O-SG 3.43Å; A80-C128 VanDerWaalsContact O-SG 3.35Å
81A88.7Confident88.1Confident35 Ų3560.5 Ų60.529%0.28932%0.318SS..Hα-helixtrans-65.4-47177.500000111.3V77 W78 L83 G84 V85 C128V77-A81 PolarHBondContact O-N 2.88Å; W78-A81 PolarHBondContact O-N 3.33Å; A81-L83 VanDerWaalsContact C-N 3.33Å; A81-L83 PolarHBondContact O-N 3.15Å; A81-G84 PolarHBondContact O-N 3.02Å; A81-G84 VanDerWaalsContact O-N 3.15Å; A81-V85 WeakPolarHBondContact O-CG2 3.47Å; A81-V85 PolarHBondContact O-N 2.93Å; A81-C128 WeakPolarHBondContact CA-SG 3.38Å; A81-C128 PolarHBondContact N-SG 3.29Å; A81-C128 VanDerWaalsContact N-SG 3.4Å
82V91.1Very high87.8Confident78 Ų7858 Ų5847%0.47331%0.305SS..Hα-helixtrans-57.7-47.6173.9172.10000110.4W78 G84 V85 I86W78-V82 HydrophobicContact CE3-CG2 4.4Å; W78-V82 WeakPolarHBondContact O-CG2 3.5Å; W78-V82 PolarHBondContact O-N 2.9Å; V82-G84 VanDerWaalsContact C-N 3.34Å; V82-G84 PolarHBondContact O-N 2.82Å; V82-V85 PolarHBondContact O-N 3.34Å; V82-I86 HydrophobicContact CG1-CD1 3.74Å; V82-I86 HydrophobicContact CG1-CG1 4.45Å; V82-I86 VanDerWaalsContact O-CG1 3.29Å; V82-I86 WeakPolarHBondContact O-CG1 3.32Å; V82-I86 PolarHBondContact O-N 3.19Å
83L89.2Confident87.7Confident18 Ų1858.6 Ų58.69%0.09431%0.313CS..Hα-helixtrans-58.7-44.5175.2-179.164.4000111.7G28 L29 V32 K79 A80 A81 V85 I86 L87 M124G28-L83 VanDerWaalsContact C-CD2 3.44Å; L29-L83 HydrophobicContact CD2-CD2 4.43Å; V32-L83 HydrophobicContact CG2-CD2 4.29Å; K79-L83 PolarHBondContact O-N 3.44Å; K79-L83 VanDerWaalsContact O-N 3.12Å; A80-L83 PolarHBondContact O-N 3.26Å; A81-L83 VanDerWaalsContact C-N 3.33Å; A81-L83 PolarHBondContact O-N 3.15Å; L83-V85 PolarHBondContact O-N 3.05Å; L83-I86 PolarHBondContact O-N 3.49Å; L83-L87 HydrophobicContact CD1-CD1 4.2Å; L83-L87 HydrophobicContact CD1-CD2 4.41Å; L83-L87 HydrophobicContact CD1-CG 4.03Å; L83-L87 HydrophobicContact CG-CD1 3.97Å; L83-L87 HydrophobicContact CG-CG 4.19Å; L83-L87 WeakPolarHBondContact O-CB 3.31Å; L83-L87 VanDerWaalsContact O-CG 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.4Å; L83-L87 PolarHBondContact O-N 2.85Å; L83-M124 HydrophobicContact CD2-CE 4.31Å
84G89.6Confident87.5Confident1 Ų154.1 Ų54.11%0.0130%0.297CS..Hα-helixtrans-60.5-41.4178.200000113.2A80 A81 V82 L87 G88 V132A80-G84 PolarHBondContact O-N 3.49Å; A81-G84 PolarHBondContact O-N 3.02Å; A81-G84 VanDerWaalsContact O-N 3.15Å; V82-G84 VanDerWaalsContact C-N 3.34Å; V82-G84 PolarHBondContact O-N 2.82Å; G84-L87 PolarHBondContact O-N 3.46Å; G84-G88 PolarHBondContact O-N 3.46Å; G84-V132 WeakPolarHBondContact O-CG2 3.43Å
85V90.5Very high87Confident91 Ų9148.3 Ų48.355%0.55227%0.272SS*.Hα-helixtrans-65.6-46.1175.4173.50000111.1A81 V82 L83 L87 G88 S89 P131A81-V85 WeakPolarHBondContact O-CG2 3.47Å; A81-V85 PolarHBondContact O-N 2.93Å; V82-V85 PolarHBondContact O-N 3.34Å; L83-V85 PolarHBondContact O-N 3.05Å; V85-L87 PolarHBondContact O-N 3.47Å; V85-G88 PolarHBondContact O-N 2.86Å; V85-S89 PolarHBondContact O-N 3.44Å; V85-P131 HydrophobicContact CG2-CG 4.33Å
86I91.1Very high86.7Confident73 Ų7345.7 Ų45.737%0.37426%0.261SS..Hα-helixtrans-60.1-46.1176.1-69170.3000110.4V82 L83 G88 S89 L90V82-I86 HydrophobicContact CG1-CD1 3.74Å; V82-I86 HydrophobicContact CG1-CG1 4.45Å; V82-I86 VanDerWaalsContact O-CG1 3.29Å; V82-I86 WeakPolarHBondContact O-CG1 3.32Å; V82-I86 PolarHBondContact O-N 3.19Å; L83-I86 PolarHBondContact O-N 3.49Å; I86-G88 VanDerWaalsContact C-N 3.34Å; I86-G88 PolarHBondContact O-N 2.93Å; I86-S89 PolarHBondContact O-N 3.36Å; I86-S89 PolarHBondContact O-OG 2.92Å; I86-L90 HydrophobicContact CG2-CD1 3.8Å; I86-L90 HydrophobicContact CG2-CD2 4.36Å; I86-L90 WeakPolarHBondContact O-CB 3.26Å; I86-L90 WeakPolarHBondContact O-CD1 3.37Å; I86-L90 PolarHBondContact O-N 3.01Å
87L90Very high86.4Confident11 Ų1147.6 Ų47.66%0.05825%0.254CS..Hα-helixtrans-63.6-40.4178.1-70.1-178.6000111.5F21 V24 V25 L83 G84 V85 S89 L90 I91 V132F21-L87 HydrophobicContact CE2-CD2 4.07Å; V24-L87 HydrophobicContact CG1-CD2 4.1Å; V25-L87 HydrophobicContact CB-CD2 4.39Å; V25-L87 HydrophobicContact CG2-CD1 4.11Å; V25-L87 HydrophobicContact CG2-CD2 3.42Å; V25-L87 VanDerWaalsContact CG2-CD2 3.42Å; V25-L87 HydrophobicContact CG2-CG 4.37Å; L83-L87 HydrophobicContact CD1-CD1 4.2Å; L83-L87 HydrophobicContact CD1-CD2 4.41Å; L83-L87 HydrophobicContact CD1-CG 4.03Å; L83-L87 HydrophobicContact CG-CD1 3.97Å; L83-L87 HydrophobicContact CG-CG 4.19Å; L83-L87 WeakPolarHBondContact O-CB 3.31Å; L83-L87 VanDerWaalsContact O-CG 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.4Å; L83-L87 PolarHBondContact O-N 2.85Å; G84-L87 PolarHBondContact O-N 3.46Å; V85-L87 PolarHBondContact O-N 3.47Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 2.81Å; L87-L90 PolarHBondContact O-N 3.39Å; L87-I91 VanDerWaalsContact O-CG1 3.29Å; L87-I91 WeakPolarHBondContact O-CG1 3Å; L87-I91 PolarHBondContact O-N 2.93Å; L87-V132 HydrophobicContact CB-CG2 3.93Å
88G88.1Confident85.9Confident2 Ų251 Ų512%0.02127%0.271CS..Hα-helixtrans-63.1-34.417600000113.9G84 V85 I86 Q92G84-G88 PolarHBondContact O-N 3.46Å; V85-G88 PolarHBondContact O-N 2.86Å; I86-G88 VanDerWaalsContact C-N 3.34Å; I86-G88 PolarHBondContact O-N 2.93Å; G88-Q92 PolarHBondContact O-NE2 3.43Å
89S88.5Confident85.5Confident57 Ų5748 Ų4840%0.39926%0.26SS..Hα-helixtrans-76.6-43.7173.269.10000111.9V85 I86 L87 I91 Q92 V93V85-S89 PolarHBondContact O-N 3.44Å; I86-S89 PolarHBondContact O-N 3.36Å; I86-S89 PolarHBondContact O-OG 2.92Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 2.81Å; S89-I91 VanDerWaalsContact C-N 3.33Å; S89-I91 PolarHBondContact O-N 3.01Å; S89-Q92 WeakPolarHBondContact O-CB 3.43Å; S89-Q92 PolarHBondContact O-N 3.36Å; S89-V93 PolarHBondContact O-N 3.27Å
90L88Confident85Confident36 Ų3643.7 Ų43.719%0.18824%0.241CC..Hα-helixtrans-61.7-37.1178.5-99.363.4000112.6F21 V24 I86 L87 Q92 V93 L94F21-L90 HydrophobicContact CD2-CB 4.01Å; F21-L90 HydrophobicContact CE2-CB 4.28Å; V24-L90 HydrophobicContact CB-CD2 4.21Å; V24-L90 HydrophobicContact CG1-CD2 3.91Å; V24-L90 HydrophobicContact CG2-CD2 4.23Å; I86-L90 HydrophobicContact CG2-CD1 3.8Å; I86-L90 HydrophobicContact CG2-CD2 4.36Å; I86-L90 WeakPolarHBondContact O-CB 3.26Å; I86-L90 WeakPolarHBondContact O-CD1 3.37Å; I86-L90 PolarHBondContact O-N 3.01Å; L87-L90 PolarHBondContact O-N 3.39Å; L90-Q92 PolarHBondContact O-N 3.19Å; L90-Q92 VanDerWaalsContact O-N 3.15Å; L90-V93 PolarHBondContact O-N 3.23Å; L90-L94 HydrophobicContact CD2-CD2 4.09Å; L90-L94 HydrophobicContact CG-CD1 4.08Å; L90-L94 HydrophobicContact CG-CD2 4.18Å; L90-L94 WeakPolarHBondContact O-CB 3.48Å; L90-L94 PolarHBondContact O-N 3.03Å
91I85.9Confident84.5Confident5 Ų546.6 Ų46.63%0.02626%0.256CS..Hα-helixtrans-53.7-35.4173.4-77.2178.3000110.9F21 L87 S89 I95 L100 V132 M136 Q139F21-I91 HydrophobicContact CD2-CG1 4.37Å; F21-I91 HydrophobicContact CE1-CG1 4.39Å; F21-I91 HydrophobicContact CE2-CB 4.48Å; F21-I91 HydrophobicContact CE2-CD1 4.32Å; F21-I91 HydrophobicContact CE2-CG1 3.4Å; F21-I91 VanDerWaalsContact CE2-CG1 3.4Å; F21-I91 HydrophobicContact CZ-CD1 3.93Å; F21-I91 HydrophobicContact CZ-CG1 3.4Å; F21-I91 VanDerWaalsContact CZ-CG1 3.4Å; L87-I91 VanDerWaalsContact O-CG1 3.29Å; L87-I91 WeakPolarHBondContact O-CG1 3Å; L87-I91 PolarHBondContact O-N 2.93Å; S89-I91 VanDerWaalsContact C-N 3.33Å; S89-I91 PolarHBondContact O-N 3.01Å; I91-I95 HydrophobicContact CB-CD1 4.39Å; I91-I95 HydrophobicContact CG1-CD1 3.94Å; I91-I95 HydrophobicContact CG2-CD1 4.4Å; I91-L100 HydrophobicContact CG2-CD2 4.48Å; I91-V132 HydrophobicContact CD1-CB 4.5Å; I91-V132 HydrophobicContact CD1-CG1 3.38Å; I91-M136 HydrophobicContact CD1-CG 3.79Å; I91-M136 HydrophobicContact CG2-CG 4.17Å; I91-Q139 HydrophobicContact CG2-CG 4.16Å
92Q83Confident83.9Confident59 Ų5952.7 Ų52.728%0.27627%0.271SS..Hα-helixtrans-77.3-25.5-177.5-66.3165.972.700113.5G88 S89 L90 R138 Q139G88-Q92 PolarHBondContact O-NE2 3.43Å; S89-Q92 WeakPolarHBondContact O-CB 3.43Å; S89-Q92 PolarHBondContact O-N 3.36Å; L90-Q92 PolarHBondContact O-N 3.19Å; L90-Q92 VanDerWaalsContact O-N 3.15Å; Q92-R138 HydrophobicContact CG-CB 4.49Å; Q92-Q139 HydrophobicContact CG-CG 4.38Å; Q92-Q139 PolarHBondContact O-NE2 3.17Å
93V84.3Confident83.2Confident109 Ų10950.4 Ų50.466%0.66126%0.258SS*.Hα-helixtrans-103.2-44.2-172.4-177.20000112.3S89 L90S89-V93 PolarHBondContact O-N 3.27Å; L90-V93 PolarHBondContact O-N 3.23Å
94L81.8Confident82.5Confident26 Ų2649.8 Ų49.814%0.13625%0.254CS..Hα-helixtrans-89.2-32.3-172.5-85.761.9000112.8K17 L20 F21 L90 P96K17-L94 WeakPolarHBondContact CB-O 3.39Å; L20-L94 HydrophobicContact CB-CD2 4.06Å; L20-L94 HydrophobicContact CD2-CD2 3.78Å; L20-L94 HydrophobicContact CD2-CG 4.45Å; L20-L94 HydrophobicContact CG-CD2 3.8Å; F21-L94 HydrophobicContact CB-CB 4.11Å; F21-L94 HydrophobicContact CB-CD2 4.01Å; L90-L94 HydrophobicContact CD2-CD2 4.09Å; L90-L94 HydrophobicContact CG-CD1 4.08Å; L90-L94 HydrophobicContact CG-CD2 4.18Å; L90-L94 WeakPolarHBondContact O-CB 3.48Å; L90-L94 PolarHBondContact O-N 3.03Å; L94-P96 WeakPolarHBondContact O-CD 3.33Å
95I80.1Confident81.4Confident8 Ų851.3 Ų51.34%0.04127%0.27CS..SBendtrans-90.3118.6-174.6-52.5-176.2000110F21 I91 R97 W99 L100F21-I95 HydrophobicContact CB-CG1 4.31Å; F21-I95 HydrophobicContact CD1-CD1 3.61Å; F21-I95 HydrophobicContact CD1-CG1 4.09Å; F21-I95 HydrophobicContact CD2-CD1 4.26Å; F21-I95 HydrophobicContact CD2-CG1 4.35Å; F21-I95 HydrophobicContact CE1-CD1 3.64Å; F21-I95 HydrophobicContact CE2-CD1 4.3Å; F21-I95 HydrophobicContact CG-CD1 3.93Å; F21-I95 HydrophobicContact CG-CG1 3.96Å; F21-I95 HydrophobicContact CZ-CD1 3.99Å; I91-I95 HydrophobicContact CB-CD1 4.39Å; I91-I95 HydrophobicContact CG1-CD1 3.94Å; I91-I95 HydrophobicContact CG2-CD1 4.4Å; I95-R97 PolarHBondContact O-N 3.26Å; I95-W99 HydrophobicContact CG2-CE3 3.76Å; I95-W99 HydrophobicContact CG2-CZ3 4.33Å; I95-L100 HydrophobicContact CG2-CB 3.95Å; I95-L100 HydrophobicContact CG2-CD1 4.22Å
96P78.6Confident80.4Confident42 Ų4250.7 Ų50.727%0.27326%0.261SS..  trans-65.2133.3174.524.3-29.5000110.5L94 D98 W99 L100L94-P96 WeakPolarHBondContact O-CD 3.33Å; P96-D98 PolarHBondContact O-N 3.38Å; P96-D98 VanDerWaalsContact O-N 3.16Å; P96-W99 HydrophobicContact CG-CB 3.86Å; P96-W99 PolarHBondContact O-N 2.83Å; P96-L100 PolarHBondContact O-N 2.9Å
97R76.5Confident79.2Confident105 Ų10550.6 Ų50.640%0.39627%0.267SS..Hα-helixtrans-47.7-44.4179.5-77.4175.9-176.6-179.84.3112.4I95 W99 L100 L101 Q139I95-R97 PolarHBondContact O-N 3.26Å; R97-W99 VanDerWaalsContact C-N 3.33Å; R97-W99 PolarHBondContact O-N 2.86Å; R97-L100 PolarHBondContact O-N 2.79Å; R97-L101 VanDerWaalsContact O-CB 3.32Å; R97-L101 WeakPolarHBondContact O-CB 3.4Å; R97-L101 WeakPolarHBondContact O-CG 3.21Å; R97-L101 PolarHBondContact O-N 3.06Å; R97-Q139 VanDerWaalsContact NE-OE1 3.15Å
98D76.8Confident78.4Confident104 Ų10456.6 Ų56.656%0.55629%0.289SS*.Hα-helixtrans-63.1-38.1-177.4-58.3-58000112.7P96 R102P96-D98 PolarHBondContact O-N 3.38Å; P96-D98 VanDerWaalsContact O-N 3.16Å; D98-R102 WeakPolarHBondContact O-CB 3.17Å; D98-R102 WeakPolarHBondContact O-CD 3.35Å; D98-R102 WeakPolarHBondContact O-CG 3.26Å; D98-R102 PolarHBondContact O-N 3.36Å
99W79.9Confident78.2Confident48 Ų4861.7 Ų61.718%0.18231%0.311CS..Hα-helixtrans-69.6-42.4178.1-174.591000111.1F22 I95 P96 R97 R102 T103F22-W99 AromaticContact CE2-CH2 3.69Å; F22-W99 HydrophobicContact CE2-CH2 3.69Å; F22-W99 HydrophobicContact CE2-CZ2 4.18Å; F22-W99 HydrophobicContact CE2-CZ3 4.29Å; F22-W99 AromaticContact CZ-CH2 3.67Å; F22-W99 HydrophobicContact CZ-CH2 3.67Å; F22-W99 HydrophobicContact CZ-CZ2 4.47Å; F22-W99 HydrophobicContact CZ-CZ3 4.28Å; I95-W99 HydrophobicContact CG2-CE3 3.76Å; I95-W99 HydrophobicContact CG2-CZ3 4.33Å; P96-W99 HydrophobicContact CG-CB 3.86Å; P96-W99 PolarHBondContact O-N 2.83Å; R97-W99 VanDerWaalsContact C-N 3.33Å; R97-W99 PolarHBondContact O-N 2.86Å; W99-R102 PolarHBondContact O-N 3.13Å; W99-T103 HydrophobicContact CD2-CG2 4.24Å; W99-T103 HydrophobicContact CE3-CG2 4.45Å; W99-T103 HydrophobicContact CH2-CG2 4.17Å; W99-T103 HydrophobicContact CZ2-CG2 3.96Å; W99-T103 HydrophobicContact CZ3-CG2 4.42Å; W99-T103 WeakPolarHBondContact O-CG2 3.32Å; W99-T103 PolarHBondContact O-N 2.85Å; W99-T103 PolarHBondContact O-OG1 3.34Å
100L76.1Confident78.1Confident6 Ų666.5 Ų66.53%0.03132%0.32CS..Hα-helixtrans-69.2-37.5179.7-162.669.9000111.9I91 I95 P96 R97 T103 L104 G105 Q139 V141I91-L100 HydrophobicContact CG2-CD2 4.48Å; I95-L100 HydrophobicContact CG2-CB 3.95Å; I95-L100 HydrophobicContact CG2-CD1 4.22Å; P96-L100 PolarHBondContact O-N 2.9Å; R97-L100 PolarHBondContact O-N 2.79Å; L100-T103 WeakPolarHBondContact CA-OG1 3.26Å; L100-T103 PolarHBondContact O-N 2.87Å; L100-T103 PolarHBondContact O-OG1 3.11Å; L100-L104 HydrophobicContact CD1-CD1 3.85Å; L100-L104 HydrophobicContact CD1-CD2 4.45Å; L100-L104 PolarHBondContact O-N 2.9Å; L100-G105 PolarHBondContact O-N 2.8Å; L100-Q139 HydrophobicContact CD2-CB 3.37Å; L100-Q139 HydrophobicContact CD2-CG 4.22Å; L100-V141 HydrophobicContact CD1-CG2 4.1Å; L100-V141 HydrophobicContact CD2-CG2 3.32Å; L100-V141 HydrophobicContact CG-CG2 3.44Å; L100-V141 VanDerWaalsContact CG-CG2 3.44Å
101L75.8Confident78.1Confident65 Ų6564.8 Ų64.834%0.3431%0.311SS..Hα-helixtrans-66.7-41.7172-76.9175000111.9R97 T103 G105 Q106 Q140R97-L101 VanDerWaalsContact O-CB 3.32Å; R97-L101 WeakPolarHBondContact O-CB 3.4Å; R97-L101 WeakPolarHBondContact O-CG 3.21Å; R97-L101 PolarHBondContact O-N 3.06Å; L101-T103 PolarHBondContact O-N 3.37Å; L101-G105 CarbonylContact O-C 3.41Å; L101-G105 VanDerWaalsContact O-C 3.27Å; L101-G105 WeakPolarHBondContact O-CA 3.39Å; L101-G105 PolarHBondContact O-N 3.27Å; L101-Q106 PolarHBondContact O-N 2.92Å; L101-Q140 HydrophobicContact CD2-CB 3.68Å; L101-Q140 VanDerWaalsContact CD2-O 3.28Å; L101-Q140 WeakPolarHBondContact CD2-O 3.33Å; L101-Q140 HydrophobicContact CG-CB 4.39Å
102R77.1Confident78.3Confident163 Ų16364.6 Ų64.662%0.61531%0.31SS*.Hα-helixtrans-65.6-27.4176.6-77.7170.7-176.1-161.92.1113D98 W99 Q106D98-R102 WeakPolarHBondContact O-CB 3.17Å; D98-R102 WeakPolarHBondContact O-CD 3.35Å; D98-R102 WeakPolarHBondContact O-CG 3.26Å; D98-R102 PolarHBondContact O-N 3.36Å; W99-R102 PolarHBondContact O-N 3.13Å; R102-Q106 WeakPolarHBondContact O-CG 3.43Å; R102-Q106 PolarHBondContact O-NE2 3.08Å
103T76.4Confident78.7Confident30 Ų3065.3 Ų65.318%0.18432%0.316CS..Hα-helixtrans-93.9-69.4178.4510000110.4W99 L100 L101 L114W99-T103 HydrophobicContact CD2-CG2 4.24Å; W99-T103 HydrophobicContact CE3-CG2 4.45Å; W99-T103 HydrophobicContact CH2-CG2 4.17Å; W99-T103 HydrophobicContact CZ2-CG2 3.96Å; W99-T103 HydrophobicContact CZ3-CG2 4.42Å; W99-T103 WeakPolarHBondContact O-CG2 3.32Å; W99-T103 PolarHBondContact O-N 2.85Å; W99-T103 PolarHBondContact O-OG1 3.34Å; L100-T103 WeakPolarHBondContact CA-OG1 3.26Å; L100-T103 PolarHBondContact O-N 2.87Å; L100-T103 PolarHBondContact O-OG1 3.11Å; L101-T103 PolarHBondContact O-N 3.37Å; T103-L114 WeakPolarHBondContact O-CD1 3.31Å
104L75.4Confident79.1Confident4 Ų462.7 Ų62.72%0.02130%0.298CS..Hα-helixtrans-91-10.8-173.8-69.474.9000114.9L100 G111 F118 M136 V141 S142L100-L104 HydrophobicContact CD1-CD1 3.85Å; L100-L104 HydrophobicContact CD1-CD2 4.45Å; L100-L104 PolarHBondContact O-N 2.9Å; L104-G111 WeakPolarHBondContact O-CA 3.34Å; L104-F118 HydrophobicContact CD1-CD2 3.81Å; L104-F118 HydrophobicContact CD1-CE2 3.42Å; L104-F118 VanDerWaalsContact CD1-CE2 3.42Å; L104-F118 HydrophobicContact CD1-CZ 4.29Å; L104-F118 HydrophobicContact CD2-CD2 4.24Å; L104-F118 HydrophobicContact CG-CD2 4.14Å; L104-F118 HydrophobicContact CG-CE2 4.15Å; L104-M136 HydrophobicContact CD2-SD 3.78Å; L104-V141 HydrophobicContact CB-CB 4.38Å; L104-V141 HydrophobicContact CB-CG1 3.71Å; L104-V141 HydrophobicContact CB-CG2 3.94Å; L104-V141 HydrophobicContact CD2-CG1 3.88Å; L104-V141 HydrophobicContact CD2-CG2 4.16Å; L104-V141 HydrophobicContact CG-CG1 4.47Å; L104-S142 PolarHBondContact O-OG 3.38Å
105G64.9Low79.5Confident34 Ų3461.4 Ų61.435%0.35129%0.291SS..THydrogen-bonded Turntrans-88.63.1175.500000114.5L100 L101L100-G105 PolarHBondContact O-N 2.8Å; L101-G105 CarbonylContact O-C 3.41Å; L101-G105 VanDerWaalsContact O-C 3.27Å; L101-G105 WeakPolarHBondContact O-CA 3.39Å; L101-G105 PolarHBondContact O-N 3.27Å
106Q69.8Low80.2Confident77 Ų7761.2 Ų61.236%0.3629%0.29SS..SBendtrans-67.8164.6178.9-66.1-66.1-26.900112.5L101 R102 R110L101-Q106 PolarHBondContact O-N 2.92Å; R102-Q106 WeakPolarHBondContact O-CG 3.43Å; R102-Q106 PolarHBondContact O-NE2 3.08Å; Q106-R110 HydrophobicContact CB-CB 4.03Å
107S65.9Low80.8Confident71 Ų7164.2 Ų64.250%0.49730%0.303SS..THydrogen-bonded Turntrans-31.2141.8178.863.50000114.2F109 R110 G111S107-F109 VanDerWaalsContact C-N 3.34Å; S107-F109 PolarHBondContact O-N 3.27Å; S107-R110 PolarHBondContact O-N 3.44Å; S107-G111 PolarHBondContact O-N 2.97Å
108R73.1Confident81.5Confident137 Ų13762.4 Ų62.452%0.51730%0.298SS..Hα-helixtrans-30.2-62.2-165.6-68.5-165.1166.5105.2-2.3114.6R110 T112 Q192R108-R110 PolarHBondContact O-N 3.37Å; R108-T112 PolarHBondContact O-N 3.36Å; R108-T112 PolarHBondContact O-OG1 2.81Å; R108-Q192 VanDerWaalsContact CA-CD 3.47Å; R108-Q192 HydrophobicContact CB-CG 4.12Å; R108-Q192 HydrophobicContact CG-CG 3.83Å; R108-Q192 PolarHBondContact NE-O 2.96Å; R108-Q192 VanDerWaalsContact NE-O 3.08Å; R108-Q192 PolarHBondContact O-OE1 3.42Å
109F85Confident82.2Confident110 Ų11057.5 Ų57.548%0.48227%0.272SS..Hα-helixtrans-66.9-38.6-176.2-167.7-104.1000114.9S107 T112 L113 T189S107-F109 VanDerWaalsContact C-N 3.34Å; S107-F109 PolarHBondContact O-N 3.27Å; F109-T112 WeakPolarHBondContact O-CB 3.44Å; F109-T112 PolarHBondContact O-N 3.3Å; F109-L113 WeakPolarHBondContact O-CB 3.31Å; F109-L113 PolarHBondContact O-N 3.06Å; F109-T189 HydrophobicContact CD2-CG2 3.63Å; F109-T189 HydrophobicContact CE2-CG2 4.08Å
110R86.2Confident82.7Confident158 Ų15858.3 Ų58.360%0.59628%0.28SS*.Hα-helixtrans-65.2-42.4-178.9-71.5-174.2-177.9170.30.9112.1Q106 S107 R108 T112 L113 L114Q106-R110 HydrophobicContact CB-CB 4.03Å; S107-R110 PolarHBondContact O-N 3.44Å; R108-R110 PolarHBondContact O-N 3.37Å; R110-T112 VanDerWaalsContact C-N 3.3Å; R110-T112 PolarHBondContact O-N 2.92Å; R110-L113 PolarHBondContact O-N 3.15Å; R110-L114 WeakPolarHBondContact O-CB 3.29Å; R110-L114 WeakPolarHBondContact O-CG 3.49Å; R110-L114 PolarHBondContact O-N 3.36Å
111G86.5Confident83.2Confident0 Ų060.9 Ų60.90%030%0.297CS..Hα-helixtrans-60.3-42.4175.700000111.8L104 S107 G115 G145L104-G111 WeakPolarHBondContact O-CA 3.34Å; S107-G111 PolarHBondContact O-N 2.97Å; G111-G115 PolarHBondContact O-N 2.78Å; G111-G145 WeakPolarHBondContact O-CA 3.45Å
112T90.8Very high83.7Confident0 Ų058.1 Ų58.10%028%0.284CS..Hα-helixtrans-63-45.9174.9-660000112.5R108 F109 R110 G115 T116 G144 A148 L185 A188 T189 Q192R108-T112 PolarHBondContact O-N 3.36Å; R108-T112 PolarHBondContact O-OG1 2.81Å; F109-T112 WeakPolarHBondContact O-CB 3.44Å; F109-T112 PolarHBondContact O-N 3.3Å; R110-T112 VanDerWaalsContact C-N 3.3Å; R110-T112 PolarHBondContact O-N 2.92Å; T112-G115 PolarHBondContact O-N 3.1Å; T112-T116 PolarHBondContact O-N 3.37Å; T112-T116 PolarHBondContact O-OG1 3.38Å; T112-G144 WeakPolarHBondContact OG1-CA 3.34Å; T112-A148 HydrophobicContact CG2-CB 4.02Å; T112-A148 WeakPolarHBondContact O-CB 3.39Å; T112-L185 HydrophobicContact CG2-CD2 3.87Å; T112-A188 HydrophobicContact CG2-CB 3.52Å; T112-T189 HydrophobicContact CG2-CG2 4.02Å; T112-Q192 PolarHBondContact OG1-OE1 2.83Å
113L92.1Very high84.1Confident74 Ų7450.6 Ų50.639%0.38726%0.256SS..Hα-helixtrans-63-45.2179-175.563.9000111.5F109 R110 T116 L117 L185F109-L113 WeakPolarHBondContact O-CB 3.31Å; F109-L113 PolarHBondContact O-N 3.06Å; R110-L113 PolarHBondContact O-N 3.15Å; L113-T116 WeakPolarHBondContact O-CB 3.3Å; L113-T116 PolarHBondContact O-N 3.44Å; L113-L117 PolarHBondContact O-N 2.82Å; L113-L185 HydrophobicContact CD1-CD2 4.49Å
114L91.4Very high84.6Confident54 Ų5449.6 Ų49.628%0.28325%0.25SC..Hα-helixtrans-65.2-43.3177.6-72.5169.1000111.4T103 R110 T116 L117 F118T103-L114 WeakPolarHBondContact O-CD1 3.31Å; R110-L114 WeakPolarHBondContact O-CB 3.29Å; R110-L114 WeakPolarHBondContact O-CG 3.49Å; R110-L114 PolarHBondContact O-N 3.36Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 3.4Å; L114-L117 WeakPolarHBondContact O-CB 3.46Å; L114-L117 PolarHBondContact O-N 2.61Å; L114-L117 VanDerWaalsContact O-N 3.11Å; L114-F118 HydrophobicContact CB-CD2 4.35Å; L114-F118 HydrophobicContact CB-CE2 4.18Å; L114-F118 WeakPolarHBondContact O-CD2 3.31Å; L114-F118 PolarHBondContact O-N 3.25Å
115G91.6Very high85.2Confident0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-56.8-41.8173.200000112.8G111 T112 S119 G145 F149G111-G115 PolarHBondContact O-N 2.78Å; T112-G115 PolarHBondContact O-N 3.1Å; G115-S119 PolarHBondContact O-N 2.92Å; G115-G145 WeakPolarHBondContact CA-O 3.3Å; G115-F149 VanDerWaalsContact O-CA 3.31Å; G115-F149 WeakPolarHBondContact O-CA 3.15Å
116T93.6Very high86.4Confident4 Ų452.4 Ų52.43%0.02526%0.261CS..Hα-helixtrans-62-46.5173.6-52.30000111T112 L113 L114 F118 S119 L156 L181 V184T112-T116 PolarHBondContact O-N 3.37Å; T112-T116 PolarHBondContact O-OG1 3.38Å; L113-T116 WeakPolarHBondContact O-CB 3.3Å; L113-T116 PolarHBondContact O-N 3.44Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 3.4Å; T116-F118 PolarHBondContact O-N 3.45Å; T116-S119 VanDerWaalsContact O-CB 3.3Å; T116-S119 WeakPolarHBondContact O-CB 3.37Å; T116-S119 PolarHBondContact O-N 3.03Å; T116-S119 VanDerWaalsContact O-N 3.1Å; T116-S119 PolarHBondContact O-OG 3.22Å; T116-L156 HydrophobicContact CG2-CD1 3.39Å; T116-L181 HydrophobicContact CG2-CD1 3.91Å; T116-V184 HydrophobicContact CG2-CG1 4.2Å
117L92.7Very high87.4Confident104 Ų10451.9 Ų51.955%0.54527%0.265SS..Hα-helixtrans-62.8-43.5-179.7-140.680000112.1L113 L114 S119 L120 P121L113-L117 PolarHBondContact O-N 2.82Å; L114-L117 WeakPolarHBondContact O-CB 3.46Å; L114-L117 PolarHBondContact O-N 2.61Å; L114-L117 VanDerWaalsContact O-N 3.11Å; L117-S119 PolarHBondContact O-N 2.89Å; L117-L120 HydrophobicContact CD1-CD1 4.31Å; L117-L120 WeakPolarHBondContact O-CB 3.38Å; L117-L120 PolarHBondContact O-N 2.92Å; L117-P121 VanDerWaalsContact O-CD 3.3Å; L117-P121 WeakPolarHBondContact O-CD 3.1Å
118F90.5Very high88.5Confident67 Ų6748.6 Ų48.629%0.29424%0.242SC..Hα-helixtrans-66.2-19.1176.2-74.5-62.5000113F22 L104 L114 T116 F149F22-F118 HydrophobicContact CE1-CE1 4.34Å; F22-F118 HydrophobicContact CZ-CE1 4.33Å; L104-F118 HydrophobicContact CD1-CD2 3.81Å; L104-F118 HydrophobicContact CD1-CE2 3.42Å; L104-F118 VanDerWaalsContact CD1-CE2 3.42Å; L104-F118 HydrophobicContact CD1-CZ 4.29Å; L104-F118 HydrophobicContact CD2-CD2 4.24Å; L104-F118 HydrophobicContact CG-CD2 4.14Å; L104-F118 HydrophobicContact CG-CE2 4.15Å; L114-F118 HydrophobicContact CB-CD2 4.35Å; L114-F118 HydrophobicContact CB-CE2 4.18Å; L114-F118 WeakPolarHBondContact O-CD2 3.31Å; L114-F118 PolarHBondContact O-N 3.25Å; T116-F118 PolarHBondContact O-N 3.45Å; F118-F149 HydrophobicContact CB-CD2 4.12Å
119S92.1Very high89.4Confident1 Ų142 Ų421%0.00722%0.217CC..Hα-helixtrans-76.8-29.5176.884.60000113.6G115 T116 L117 G122 F149 G152 N153G115-S119 PolarHBondContact O-N 2.92Å; T116-S119 VanDerWaalsContact O-CB 3.3Å; T116-S119 WeakPolarHBondContact O-CB 3.37Å; T116-S119 PolarHBondContact O-N 3.03Å; T116-S119 VanDerWaalsContact O-N 3.1Å; T116-S119 PolarHBondContact O-OG 3.22Å; L117-S119 PolarHBondContact O-N 2.89Å; S119-G122 PolarHBondContact O-N 3.48Å; S119-G122 VanDerWaalsContact O-N 3.15Å; S119-F149 WeakPolarHBondContact CB-O 3.42Å; S119-G152 VanDerWaalsContact OG-C 3.24Å; S119-G152 VanDerWaalsContact OG-CA 3.31Å; S119-G152 WeakPolarHBondContact OG-CA 3.24Å; S119-N153 PolarHBondContact O-OD1 3.4Å
120L90.6Very high89.8Confident65 Ų6538.8 Ų38.834%0.3421%0.211SC..THydrogen-bonded Turntrans-57.8-50.2-175.8-64.2174.8000113.4L117 G122 L156 P158L117-L120 HydrophobicContact CD1-CD1 4.31Å; L117-L120 WeakPolarHBondContact O-CB 3.38Å; L117-L120 PolarHBondContact O-N 2.92Å; L120-G122 VanDerWaalsContact C-N 3.27Å; L120-G122 PolarHBondContact O-N 3.27Å; L120-L156 HydrophobicContact CD2-CB 3.6Å; L120-L156 HydrophobicContact CD2-CD1 4.11Å; L120-L156 HydrophobicContact CD2-CG 4.46Å; L120-P158 WeakPolarHBondContact O-CD 3.31Å
121P86.7Confident90.1Very high61 Ų6133.1 Ų33.140%0.39619%0.194SC..THydrogen-bonded Turntrans-72.9-21.2178.728.9-35.8000113L117 M123L117-P121 VanDerWaalsContact O-CD 3.3Å; L117-P121 WeakPolarHBondContact O-CD 3.1Å; P121-M123 PolarHBondContact O-N 2.92Å
122G85Confident90.3Very high7 Ų733.6 Ų33.67%0.07220%0.197CC..THydrogen-bonded Turntrans-66.3-38-174.700000113.2L29 S119 L120 M124 N153L29-G122 WeakPolarHBondContact CD2-O 3.46Å; S119-G122 PolarHBondContact O-N 3.48Å; S119-G122 VanDerWaalsContact O-N 3.15Å; L120-G122 VanDerWaalsContact C-N 3.27Å; L120-G122 PolarHBondContact O-N 3.27Å; G122-M124 VanDerWaalsContact O-CE 3.29Å; G122-M124 WeakPolarHBondContact O-CE 3.3Å; G122-M124 WeakPolarHBondContact O-CG 3.37Å; G122-M124 PolarHBondContact O-N 3.11Å; G122-N153 WeakPolarHBondContact CA-OD1 3.47Å
123M86.1Confident90.4Very high5 Ų534.1 Ų34.13%0.02520%0.202CC..  trans45.831.4-176.7-70.3-171.3-6600113.2K33 W34 P121 N153 P158 A159K33-M123 HydrophobicContact CB-CE 4.09Å; K33-M123 HydrophobicContact CD-CB 4.1Å; K33-M123 PolarHBondContact NZ-O 3.19Å; W34-M123 HydrophobicContact CD2-CE 3.63Å; W34-M123 HydrophobicContact CE3-CE 4.4Å; W34-M123 HydrophobicContact CG-CE 3.79Å; W34-M123 HydrophobicContact CZ2-CE 3.77Å; W34-M123 HydrophobicContact CZ2-SD 4.45Å; P121-M123 PolarHBondContact O-N 2.92Å; M123-N153 PolarHBondContact N-OD1 2.98Å; M123-P158 HydrophobicContact CG-CG 3.79Å; M123-P158 HydrophobicContact SD-CG 3.78Å; M123-A159 HydrophobicContact SD-CB 3.79Å
124M85.7Confident90.3Very high9 Ų932.8 Ų32.84%0.04420%0.201CC..  trans-80.9150.3-173-69-61.715500113.3L29 K33 L83 G122 C128 A129 N153L29-M124 HydrophobicContact CD2-CE 2.96Å; L29-M124 HydrophobicContact CG-CE 4.41Å; K33-M124 HydrophobicContact CD-CE 3.92Å; K33-M124 HydrophobicContact CD-SD 4.39Å; K33-M124 VanDerWaalsContact NZ-CA 3.34Å; K33-M124 PolarHBondContact NZ-SD 3.15Å; L83-M124 HydrophobicContact CD2-CE 4.31Å; G122-M124 VanDerWaalsContact O-CE 3.29Å; G122-M124 WeakPolarHBondContact O-CE 3.3Å; G122-M124 WeakPolarHBondContact O-CG 3.37Å; G122-M124 PolarHBondContact O-N 3.11Å; M124-C128 HydrophobicContact CB-CB 4.07Å; M124-C128 HydrophobicContact CG-CB 4.17Å; M124-C128 HydrophobicContact SD-CB 3.63Å; M124-A129 HydrophobicContact CB-CB 4.14Å; M124-N153 HydrophobicContact CB-CB 4.06Å; M124-N153 VanDerWaalsContact CB-OD1 3.28Å; M124-N153 WeakPolarHBondContact CB-OD1 3.18Å; M124-N153 PolarHBondContact N-OD1 2.06Å; M124-N153 CarbonylContact O-C 3.55Å
125C89.2Confident90.2Very high28 Ų2830.2 Ų30.219%0.18919%0.188CC..  trans-69.6159.6160.5640000109C127 C128 A129C125-C127 HydrophobicContact CB-CB 4.47Å; C125-C127 WeakPolarHBondContact CB-SG 3.3Å; C125-C127 PolarHBondContact O-N 3.4Å; C125-C127 VanDerWaalsContact O-N 3.15Å; C125-C127 WeakPolarHBondContact SG-CB 3.27Å; C125-C127 CovalentContact SG-SG 2.06Å; C125-C127 PolarHBondContact SG-SG 3.35Å; C125-C128 PolarHBondContact O-N 3.22Å; C125-C128 PolarHBondContact SG-N 2.96Å; C125-C128 PolarHBondContact SG-SG 3.07Å; C125-A129 WeakPolarHBondContact O-CB 3.5Å; C125-A129 PolarHBondContact O-N 3.2Å
126T90.7Very high90.1Very high68 Ų6830.7 Ų30.742%0.41719%0.19SC..Hα-helixtrans-51.2-36.4170.651.60000111.9A130 W150 P154T126-A130 WeakPolarHBondContact O-CB 3.44Å; T126-A130 PolarHBondContact O-N 3.49Å; T126-A130 VanDerWaalsContact O-N 3.08Å; T126-W150 HydrophobicContact CG2-CZ2 4.28Å; T126-W150 PolarHBondContact O-NE1 3.19Å; T126-W150 VanDerWaalsContact O-NE1 3.13Å; T126-P154 HydrophobicContact CG2-CB 4.35Å; T126-P154 HydrophobicContact CG2-CG 3.77Å
127C89.9Confident89.9Confident67 Ų6732.9 Ų32.945%0.45320%0.198SC..Hα-helixtrans-58.9-45.517637.70000114.3C125 P131C125-C127 HydrophobicContact CB-CB 4.47Å; C125-C127 WeakPolarHBondContact CB-SG 3.3Å; C125-C127 PolarHBondContact O-N 3.4Å; C125-C127 VanDerWaalsContact O-N 3.15Å; C125-C127 WeakPolarHBondContact SG-CB 3.27Å; C125-C127 CovalentContact SG-SG 2.06Å; C125-C127 PolarHBondContact SG-SG 3.35Å; C127-P131 VanDerWaalsContact O-CD 3.26Å; C127-P131 WeakPolarHBondContact O-CD 3.13Å
128C89.6Confident89.6Confident1 Ų133.9 Ų33.91%0.00720%0.195CC..Hα-helixtrans-83-31.2-178.3-61.10000111.8A80 A81 M124 C125 A130 P131A80-C128 PolarHBondContact O-SG 3.43Å; A80-C128 VanDerWaalsContact O-SG 3.35Å; A81-C128 WeakPolarHBondContact CA-SG 3.38Å; A81-C128 PolarHBondContact N-SG 3.29Å; A81-C128 VanDerWaalsContact N-SG 3.4Å; M124-C128 HydrophobicContact CB-CB 4.07Å; M124-C128 HydrophobicContact CG-CB 4.17Å; M124-C128 HydrophobicContact SD-CB 3.63Å; C125-C128 PolarHBondContact O-N 3.22Å; C125-C128 PolarHBondContact SG-N 2.96Å; C125-C128 PolarHBondContact SG-SG 3.07Å; C128-A130 VanDerWaalsContact C-N 3.31Å; C128-P131 WeakPolarHBondContact O-CD 3.49Å; C128-P131 WeakPolarHBondContact O-CG 3.3Å
129A92Very high89.3Confident0 Ų031.1 Ų31.10%018%0.183CC..Hα-helixtrans-72.3-26.5178.300000112.2M124 C125 V132 A133 F149 N153M124-A129 HydrophobicContact CB-CB 4.14Å; C125-A129 WeakPolarHBondContact O-CB 3.5Å; C125-A129 PolarHBondContact O-N 3.2Å; A129-V132 PolarHBondContact O-N 2.96Å; A129-A133 WeakPolarHBondContact O-CB 3.3Å; A129-A133 PolarHBondContact O-N 2.93Å; A129-F149 HydrophobicContact CB-CE1 4.24Å; A129-N153 HydrophobicContact CB-CB 4.19Å
130A93.1Very high88.8Confident42 Ų4233.9 Ų33.935%0.34720%0.195SC..Hα-helixtrans-58-54.2-17900000114.2T126 C128 V132 A133 A134T126-A130 WeakPolarHBondContact O-CB 3.44Å; T126-A130 PolarHBondContact O-N 3.49Å; T126-A130 VanDerWaalsContact O-N 3.08Å; C128-A130 VanDerWaalsContact C-N 3.31Å; A130-V132 VanDerWaalsContact C-N 3.27Å; A130-V132 PolarHBondContact O-N 3.02Å; A130-A133 PolarHBondContact O-N 3.27Å; A130-A134 WeakPolarHBondContact O-CB 3.46Å; A130-A134 PolarHBondContact O-N 3.26Å
131P91.5Very high88.6Confident39 Ų3930.8 Ų30.825%0.25318%0.179SC..Hα-helixtrans-63.3-33.4178.323.5-34.5000112.7V85 C127 C128 A134 G135V85-P131 HydrophobicContact CG2-CG 4.33Å; C127-P131 VanDerWaalsContact O-CD 3.26Å; C127-P131 WeakPolarHBondContact O-CD 3.13Å; C128-P131 WeakPolarHBondContact O-CD 3.49Å; C128-P131 WeakPolarHBondContact O-CG 3.3Å; P131-A134 PolarHBondContact O-N 3.49Å; P131-G135 PolarHBondContact O-N 3.29Å
132V91.8Very high88.7Confident10 Ų1028.4 Ų28.46%0.06116%0.164CC..Hα-helixtrans-66.7-47.2175.9-175.80000110.7G84 L87 I91 A129 A130 A134 G135 M136 F149G84-V132 WeakPolarHBondContact O-CG2 3.43Å; L87-V132 HydrophobicContact CB-CG2 3.93Å; I91-V132 HydrophobicContact CD1-CB 4.5Å; I91-V132 HydrophobicContact CD1-CG1 3.38Å; A129-V132 PolarHBondContact O-N 2.96Å; A130-V132 VanDerWaalsContact C-N 3.27Å; A130-V132 PolarHBondContact O-N 3.02Å; V132-A134 VanDerWaalsContact C-N 3.34Å; V132-A134 PolarHBondContact O-N 2.8Å; V132-G135 PolarHBondContact O-N 2.96Å; V132-M136 WeakPolarHBondContact O-CG 3.35Å; V132-M136 PolarHBondContact O-N 2.95Å; V132-F149 HydrophobicContact CB-CE1 3.83Å; V132-F149 HydrophobicContact CB-CZ 4.27Å; V132-F149 HydrophobicContact CG1-CE1 3.54Å; V132-F149 HydrophobicContact CG1-CZ 3.64Å
133A92.6Very high88.9Confident11 Ų1130.6 Ų30.69%0.09117%0.173CC..Hα-helixtrans-61.6-40.7175.100000112.2A129 A130 M136 R137 F149 W150A129-A133 WeakPolarHBondContact O-CB 3.3Å; A129-A133 PolarHBondContact O-N 2.93Å; A130-A133 PolarHBondContact O-N 3.27Å; A133-M136 HydrophobicContact CB-CE 4.28Å; A133-M136 PolarHBondContact O-N 3.42Å; A133-R137 WeakPolarHBondContact O-CG 3.5Å; A133-R137 PolarHBondContact O-N 3.44Å; A133-F149 HydrophobicContact CB-CD1 4.44Å; A133-W150 HydrophobicContact CB-CB 4.05Å; A133-W150 HydrophobicContact CB-CG 4.46Å
134A90.8Very high89.1Confident46 Ų4630.4 Ų30.438%0.3817%0.172SC..Hα-helixtrans-62.8-43.4173.900000111.9A130 P131 V132 M136 R137 R138A130-A134 WeakPolarHBondContact O-CB 3.46Å; A130-A134 PolarHBondContact O-N 3.26Å; P131-A134 PolarHBondContact O-N 3.49Å; V132-A134 VanDerWaalsContact C-N 3.34Å; V132-A134 PolarHBondContact O-N 2.8Å; A134-M136 PolarHBondContact O-N 2.83Å; A134-R137 PolarHBondContact O-N 2.88Å; A134-R138 WeakPolarHBondContact O-CG 3.28Å; A134-R138 PolarHBondContact O-N 3.38Å
135G88.6Confident89.4Confident0 Ų030 Ų300%017%0.17CC..Hα-helixtrans-59-44.6173.800000112.5P131 V132 R137 R138 Q139P131-G135 PolarHBondContact O-N 3.29Å; V132-G135 PolarHBondContact O-N 2.96Å; G135-R137 PolarHBondContact O-N 2.97Å; G135-R138 PolarHBondContact O-N 3.12Å; G135-Q139 WeakPolarHBondContact O-CG 3.39Å; G135-Q139 PolarHBondContact O-N 3.09Å
136M89.2Confident89.5Confident9 Ų928.8 Ų28.84%0.04416%0.162CC..Hα-helixtrans-61.6-42.5174.6-73.7-167.9-63.300112.5I91 L104 V132 A133 A134 R138 Q139 Q140 V141 F149I91-M136 HydrophobicContact CD1-CG 3.79Å; I91-M136 HydrophobicContact CG2-CG 4.17Å; L104-M136 HydrophobicContact CD2-SD 3.78Å; V132-M136 WeakPolarHBondContact O-CG 3.35Å; V132-M136 PolarHBondContact O-N 2.95Å; A133-M136 HydrophobicContact CB-CE 4.28Å; A133-M136 PolarHBondContact O-N 3.42Å; A134-M136 PolarHBondContact O-N 2.83Å; M136-R138 VanDerWaalsContact C-N 3.35Å; M136-R138 PolarHBondContact O-N 3.37Å; M136-Q139 CarbonylContact O-C 3.27Å; M136-Q139 WeakPolarHBondContact O-CA 3.39Å; M136-Q139 PolarHBondContact O-N 3.3Å; M136-Q140 PolarHBondContact O-N 3.5Å; M136-V141 HydrophobicContact CB-CB 4Å; M136-V141 HydrophobicContact CB-CG1 4.42Å; M136-V141 HydrophobicContact CB-CG2 3.8Å; M136-V141 HydrophobicContact CG-CG2 4.33Å; M136-V141 WeakPolarHBondContact O-CB 3.32Å; M136-V141 WeakPolarHBondContact O-CG2 3.34Å; M136-V141 PolarHBondContact O-N 3.41Å; M136-V141 VanDerWaalsContact O-N 3.12Å; M136-F149 HydrophobicContact CE-CB 3.66Å; M136-F149 HydrophobicContact CE-CD1 3.24Å; M136-F149 HydrophobicContact CE-CD2 4.24Å; M136-F149 HydrophobicContact CE-CE1 3.92Å; M136-F149 HydrophobicContact CE-CG 3.44Å; M136-F149 VanDerWaalsContact CE-CG 3.44Å
137R89.2Confident89.6Confident50 Ų5027.4 Ų27.419%0.18915%0.152CC..Hα-helixtrans-63.4-38.3177.1-76.6-57.3-50.2176.1-5.5112.8A133 A134 G135 Q139 Q140 V141 M143 A146A133-R137 WeakPolarHBondContact O-CG 3.5Å; A133-R137 PolarHBondContact O-N 3.44Å; A134-R137 PolarHBondContact O-N 2.88Å; G135-R137 PolarHBondContact O-N 2.97Å; R137-Q139 PolarHBondContact O-N 3.33Å; R137-Q140 PolarHBondContact O-N 3.15Å; R137-Q140 VanDerWaalsContact O-N 3.08Å; R137-V141 PolarHBondContact NH1-O 2.92Å; R137-M143 PolarHBondContact NE-SD 3.46Å; R137-M143 VanDerWaalsContact NH1-CA 3.3Å; R137-M143 VanDerWaalsContact NH1-CG 3.3Å; R137-M143 PolarHBondContact NH1-SD 3.2Å; R137-M143 VanDerWaalsContact NH1-SD 3.36Å; R137-M143 PolarHBondContact NH2-SD 3.34Å; R137-A146 VanDerWaalsContact CD-CB 3.42Å; R137-A146 HydrophobicContact CG-CB 3.67Å
138R86.3Confident89.8Confident126 Ų12624.2 Ų24.248%0.47513%0.13SC..Hα-helixtrans-63.3-28.8172.2-69.9175.3-178.4-176.50.9112.5Q92 A134 G135 M136 Q140Q92-R138 HydrophobicContact CG-CB 4.49Å; A134-R138 WeakPolarHBondContact O-CG 3.28Å; A134-R138 PolarHBondContact O-N 3.38Å; G135-R138 PolarHBondContact O-N 3.12Å; M136-R138 VanDerWaalsContact C-N 3.35Å; M136-R138 PolarHBondContact O-N 3.37Å; R138-Q140 VanDerWaalsContact C-N 3.27Å; R138-Q140 PolarHBondContact O-N 2.71Å
139Q83.8Confident90Very high9 Ų925.1 Ų25.14%0.04213%0.134CC..THydrogen-bonded Turntrans-89.520174.8-62.2-63.4-22.100113.3I91 Q92 R97 L100 G135 M136 R137 V141I91-Q139 HydrophobicContact CG2-CG 4.16Å; Q92-Q139 HydrophobicContact CG-CG 4.38Å; Q92-Q139 PolarHBondContact O-NE2 3.17Å; R97-Q139 VanDerWaalsContact NE-OE1 3.15Å; L100-Q139 HydrophobicContact CD2-CB 3.37Å; L100-Q139 HydrophobicContact CD2-CG 4.22Å; G135-Q139 WeakPolarHBondContact O-CG 3.39Å; G135-Q139 PolarHBondContact O-N 3.09Å; M136-Q139 CarbonylContact O-C 3.27Å; M136-Q139 WeakPolarHBondContact O-CA 3.39Å; M136-Q139 PolarHBondContact O-N 3.3Å; R137-Q139 PolarHBondContact O-N 3.33Å; Q139-V141 VanDerWaalsContact C-N 3.26Å; Q139-V141 PolarHBondContact O-N 3.32Å
140Q83.4Confident90.1Very high59 Ų5929.5 Ų29.528%0.27615%0.151SC..THydrogen-bonded Turntrans64.818.9174.2-52.6-69.9-52.400115.4L101 M136 R137 R138 S142 Q200L101-Q140 HydrophobicContact CD2-CB 3.68Å; L101-Q140 VanDerWaalsContact CD2-O 3.28Å; L101-Q140 WeakPolarHBondContact CD2-O 3.33Å; L101-Q140 HydrophobicContact CG-CB 4.39Å; M136-Q140 PolarHBondContact O-N 3.5Å; R137-Q140 PolarHBondContact O-N 3.15Å; R137-Q140 VanDerWaalsContact O-N 3.08Å; R138-Q140 VanDerWaalsContact C-N 3.27Å; R138-Q140 PolarHBondContact O-N 2.71Å; Q140-S142 PolarHBondContact O-N 2.89Å; Q140-Q200 VanDerWaalsContact NE2-CB 3.33Å; Q140-Q200 PolarHBondContact NE2-O 2.92Å
141V85.7Confident90.2Very high0 Ų029 Ų290%014%0.141CC..  trans-56.9139.2169.1169.20000109.8L100 L104 M136 R137 Q139 A146L100-V141 HydrophobicContact CD1-CG2 4.1Å; L100-V141 HydrophobicContact CD2-CG2 3.32Å; L100-V141 HydrophobicContact CG-CG2 3.44Å; L100-V141 VanDerWaalsContact CG-CG2 3.44Å; L104-V141 HydrophobicContact CB-CB 4.38Å; L104-V141 HydrophobicContact CB-CG1 3.71Å; L104-V141 HydrophobicContact CB-CG2 3.94Å; L104-V141 HydrophobicContact CD2-CG1 3.88Å; L104-V141 HydrophobicContact CD2-CG2 4.16Å; L104-V141 HydrophobicContact CG-CG1 4.47Å; M136-V141 HydrophobicContact CB-CB 4Å; M136-V141 HydrophobicContact CB-CG1 4.42Å; M136-V141 HydrophobicContact CB-CG2 3.8Å; M136-V141 HydrophobicContact CG-CG2 4.33Å; M136-V141 WeakPolarHBondContact O-CB 3.32Å; M136-V141 WeakPolarHBondContact O-CG2 3.34Å; M136-V141 PolarHBondContact O-N 3.41Å; M136-V141 VanDerWaalsContact O-N 3.12Å; R137-V141 PolarHBondContact NH1-O 2.92Å; Q139-V141 VanDerWaalsContact C-N 3.26Å; Q139-V141 PolarHBondContact O-N 3.32Å; V141-A146 HydrophobicContact CG1-CB 4.13Å
142S88.2Confident90.3Very high11 Ų1127.1 Ų27.18%0.07713%0.129CC..  trans-53.3152.3178.265.70000113.7L104 Q140 G144 G145 A146 Q192L104-S142 PolarHBondContact O-OG 3.38Å; Q140-S142 PolarHBondContact O-N 2.89Å; S142-G144 VanDerWaalsContact C-N 3.29Å; S142-G144 PolarHBondContact O-N 3.47Å; S142-G145 PolarHBondContact O-N 3.2Å; S142-G145 PolarHBondContact OG-N 3.49Å; S142-A146 PolarHBondContact O-N 3.34Å; S142-Q192 VanDerWaalsContact CB-NE2 3.3Å
143M89.4Confident90.4Very high53 Ų5326.6 Ų26.626%0.26113%0.127SC..Hα-helixtrans-63.8-42.3-176.1-81.9-62.3-72.600110.4R137 A146 L147 V195 E197R137-M143 PolarHBondContact NE-SD 3.46Å; R137-M143 VanDerWaalsContact NH1-CA 3.3Å; R137-M143 VanDerWaalsContact NH1-CG 3.3Å; R137-M143 PolarHBondContact NH1-SD 3.2Å; R137-M143 VanDerWaalsContact NH1-SD 3.36Å; R137-M143 PolarHBondContact NH2-SD 3.34Å; M143-A146 PolarHBondContact O-N 2.92Å; M143-L147 VanDerWaalsContact O-CB 3.24Å; M143-L147 WeakPolarHBondContact O-CB 3.41Å; M143-L147 PolarHBondContact O-N 3.07Å; M143-V195 HydrophobicContact CG-CB 4.38Å; M143-V195 HydrophobicContact CG-CG1 3.93Å; M143-E197 HydrophobicContact CG-CG 4.32Å; M143-E197 PolarHBondContact N-OE1 3.15Å
144G90.3Very high90.4Very high0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-59.8-46.1175.700000112.2T112 S142 L147 A148T112-G144 WeakPolarHBondContact OG1-CA 3.34Å; S142-G144 VanDerWaalsContact C-N 3.29Å; S142-G144 PolarHBondContact O-N 3.47Å; G144-L147 PolarHBondContact O-N 3.45Å; G144-A148 WeakPolarHBondContact O-CB 3.14Å; G144-A148 PolarHBondContact O-N 2.83Å
145G91.4Very high90.5Very high0 Ų027.4 Ų27.40%013%0.126CC..Hα-helixtrans-62.6-45.6178.300000113.7G111 G115 S142 F149G111-G145 WeakPolarHBondContact O-CA 3.45Å; G115-G145 WeakPolarHBondContact CA-O 3.3Å; S142-G145 PolarHBondContact O-N 3.2Å; S142-G145 PolarHBondContact OG-N 3.49Å; G145-F149 WeakPolarHBondContact O-CB 3.34Å; G145-F149 PolarHBondContact O-N 3.16Å
146A92.1Very high90.7Very high4 Ų427.6 Ų27.63%0.03313%0.127CC..Hα-helixtrans-67.3-41.2178.900000112.3R137 V141 S142 M143 F149 W150R137-A146 VanDerWaalsContact CD-CB 3.42Å; R137-A146 HydrophobicContact CG-CB 3.67Å; V141-A146 HydrophobicContact CG1-CB 4.13Å; S142-A146 PolarHBondContact O-N 3.34Å; M143-A146 PolarHBondContact O-N 2.92Å; A146-F149 PolarHBondContact O-N 3.34Å; A146-W150 WeakPolarHBondContact O-CB 3.39Å; A146-W150 PolarHBondContact O-N 2.94Å
147L93.3Very high90.8Very high39 Ų3928 Ų2820%0.20413%0.129CC..Hα-helixtrans-68.2-42.1177.9-175.661.7000111.5M143 G144 F149 W150 M151 I187 V191M143-L147 VanDerWaalsContact O-CB 3.24Å; M143-L147 WeakPolarHBondContact O-CB 3.41Å; M143-L147 PolarHBondContact O-N 3.07Å; G144-L147 PolarHBondContact O-N 3.45Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F149 PolarHBondContact O-N 3.28Å; L147-W150 HydrophobicContact CD1-CE3 3.99Å; L147-W150 PolarHBondContact O-N 3.46Å; L147-W150 VanDerWaalsContact O-N 3.15Å; L147-M151 HydrophobicContact CD1-CG 3.99Å; L147-M151 HydrophobicContact CD1-SD 3.87Å; L147-M151 HydrophobicContact CD2-SD 4.36Å; L147-M151 HydrophobicContact CG-CG 4.31Å; L147-M151 HydrophobicContact CG-SD 3.87Å; L147-M151 WeakPolarHBondContact O-CG 3.45Å; L147-M151 PolarHBondContact O-N 3.42Å; L147-I187 HydrophobicContact CD2-CG2 4.18Å; L147-V191 HydrophobicContact CD2-CB 3.9Å; L147-V191 HydrophobicContact CD2-CG1 4Å; L147-V191 HydrophobicContact CD2-CG2 3.76Å
148A94.1Very high90.8Very high0 Ų027.4 Ų27.40%013%0.132CC..Hα-helixtrans-61.2-40.517600000112T112 G144 G152 V184 A188T112-A148 HydrophobicContact CG2-CB 4.02Å; T112-A148 WeakPolarHBondContact O-CB 3.39Å; G144-A148 WeakPolarHBondContact O-CB 3.14Å; G144-A148 PolarHBondContact O-N 2.83Å; A148-G152 VanDerWaalsContact O-CA 3.32Å; A148-G152 WeakPolarHBondContact O-CA 3.43Å; A148-G152 PolarHBondContact O-N 3.44Å; A148-V184 HydrophobicContact CB-CG1 4Å; A148-A188 HydrophobicContact CB-CB 3.83Å
149F93.6Very high90.8Very high19 Ų1922 Ų228%0.08311%0.114CC..Hα-helixtrans-61.5-47.7171.8174-93.2000111.9G115 F118 S119 A129 V132 A133 M136 G145 A146 L147 N153G115-F149 VanDerWaalsContact O-CA 3.31Å; G115-F149 WeakPolarHBondContact O-CA 3.15Å; F118-F149 HydrophobicContact CB-CD2 4.12Å; S119-F149 WeakPolarHBondContact CB-O 3.42Å; A129-F149 HydrophobicContact CB-CE1 4.24Å; V132-F149 HydrophobicContact CB-CE1 3.83Å; V132-F149 HydrophobicContact CB-CZ 4.27Å; V132-F149 HydrophobicContact CG1-CE1 3.54Å; V132-F149 HydrophobicContact CG1-CZ 3.64Å; A133-F149 HydrophobicContact CB-CD1 4.44Å; M136-F149 HydrophobicContact CE-CB 3.66Å; M136-F149 HydrophobicContact CE-CD1 3.24Å; M136-F149 HydrophobicContact CE-CD2 4.24Å; M136-F149 HydrophobicContact CE-CE1 3.92Å; M136-F149 HydrophobicContact CE-CG 3.44Å; M136-F149 VanDerWaalsContact CE-CG 3.44Å; G145-F149 WeakPolarHBondContact O-CB 3.34Å; G145-F149 PolarHBondContact O-N 3.16Å; A146-F149 PolarHBondContact O-N 3.34Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F149 PolarHBondContact O-N 3.28Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.29Å; F149-N153 VanDerWaalsContact CZ-ND2 3.34Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.29Å; F149-N153 PolarHBondContact O-N 3.39Å; F149-N153 PolarHBondContact O-ND2 2.83Å
150W94.6Very high91Very high92 Ų9224 Ų2435%0.34813%0.127SC..Hα-helixtrans-63.3-46.3-176.6-176.571.8000112.6T126 A133 A146 L147 P154T126-W150 HydrophobicContact CG2-CZ2 4.28Å; T126-W150 PolarHBondContact O-NE1 3.19Å; T126-W150 VanDerWaalsContact O-NE1 3.13Å; A133-W150 HydrophobicContact CB-CB 4.05Å; A133-W150 HydrophobicContact CB-CG 4.46Å; A146-W150 WeakPolarHBondContact O-CB 3.39Å; A146-W150 PolarHBondContact O-N 2.94Å; L147-W150 HydrophobicContact CD1-CE3 3.99Å; L147-W150 PolarHBondContact O-N 3.46Å; L147-W150 VanDerWaalsContact O-N 3.15Å; W150-P154 VanDerWaalsContact O-CD 3.26Å; W150-P154 WeakPolarHBondContact O-CD 3.44Å
151M94.3Very high91.4Very high31 Ų3122.2 Ų22.215%0.15312%0.12CC..Hα-helixtrans-77.4-36.1179.1-63.7-177.163.100112.8L147 N153 P154 V155 V184 I187L147-M151 HydrophobicContact CD1-CG 3.99Å; L147-M151 HydrophobicContact CD1-SD 3.87Å; L147-M151 HydrophobicContact CD2-SD 4.36Å; L147-M151 HydrophobicContact CG-CG 4.31Å; L147-M151 HydrophobicContact CG-SD 3.87Å; L147-M151 WeakPolarHBondContact O-CG 3.45Å; L147-M151 PolarHBondContact O-N 3.42Å; M151-N153 VanDerWaalsContact C-N 3.28Å; M151-N153 PolarHBondContact O-N 2.82Å; M151-P154 WeakPolarHBondContact O-CD 3.34Å; M151-P154 VanDerWaalsContact O-CG 3.31Å; M151-P154 WeakPolarHBondContact O-CG 2.97Å; M151-V155 VanDerWaalsContact O-CB 3.32Å; M151-V155 WeakPolarHBondContact O-CB 3.43Å; M151-V155 WeakPolarHBondContact O-CG2 3.07Å; M151-V155 PolarHBondContact O-N 3.23Å; M151-V184 HydrophobicContact CB-CG2 4.14Å; M151-I187 HydrophobicContact CE-CB 4.33Å; M151-I187 HydrophobicContact CE-CD1 3.7Å; M151-I187 HydrophobicContact CE-CG2 4.17Å; M151-I187 HydrophobicContact SD-CB 4.36Å; M151-I187 HydrophobicContact SD-CG2 3.83Å
152G94.1Very high91.5Very high0 Ų024.6 Ų24.60%013%0.134CC..Hα-helixtrans-63.9-33-178.200000112.9S119 A148 V155 L156S119-G152 VanDerWaalsContact OG-C 3.24Å; S119-G152 VanDerWaalsContact OG-CA 3.31Å; S119-G152 WeakPolarHBondContact OG-CA 3.24Å; A148-G152 VanDerWaalsContact O-CA 3.32Å; A148-G152 WeakPolarHBondContact O-CA 3.43Å; A148-G152 PolarHBondContact O-N 3.44Å; G152-V155 PolarHBondContact O-N 3.42Å; G152-L156 WeakPolarHBondContact O-CA 3.16Å; G152-L156 VanDerWaalsContact O-CB 3.31Å; G152-L156 WeakPolarHBondContact O-CB 3.22Å; G152-L156 PolarHBondContact O-N 3.15Å
153N93.4Very high91.4Very high0 Ų025.5 Ų25.50%014%0.137CC..Hα-helixtrans-56.7-51.7-179.7-94.9-84.4000114.2S119 G122 M123 M124 A129 F149 M151 N157S119-N153 PolarHBondContact O-OD1 3.4Å; G122-N153 WeakPolarHBondContact CA-OD1 3.47Å; M123-N153 PolarHBondContact N-OD1 2.98Å; M124-N153 HydrophobicContact CB-CB 4.06Å; M124-N153 VanDerWaalsContact CB-OD1 3.28Å; M124-N153 WeakPolarHBondContact CB-OD1 3.18Å; M124-N153 PolarHBondContact N-OD1 2.06Å; M124-N153 CarbonylContact O-C 3.55Å; A129-N153 HydrophobicContact CB-CB 4.19Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.29Å; F149-N153 VanDerWaalsContact CZ-ND2 3.34Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.29Å; F149-N153 PolarHBondContact O-N 3.39Å; F149-N153 PolarHBondContact O-ND2 2.83Å; M151-N153 VanDerWaalsContact C-N 3.28Å; M151-N153 PolarHBondContact O-N 2.82Å; N153-N157 WeakPolarHBondContact O-CB 3.39Å
154P92Very high91.3Very high41 Ų4125.3 Ų25.327%0.26614%0.135SC..Hα-helixtrans-77.8-33.417528.9-37.4000113.6T126 W150 M151T126-P154 HydrophobicContact CG2-CB 4.35Å; T126-P154 HydrophobicContact CG2-CG 3.77Å; W150-P154 VanDerWaalsContact O-CD 3.26Å; W150-P154 WeakPolarHBondContact O-CD 3.44Å; M151-P154 WeakPolarHBondContact O-CD 3.34Å; M151-P154 VanDerWaalsContact O-CG 3.31Å; M151-P154 WeakPolarHBondContact O-CG 2.97Å
155V93.3Very high91.1Very high33 Ų3325.5 Ų25.520%0.214%0.137CC..Hα-helixtrans-79.3-41.9-171.3173.70000112.1M151 G152 V184M151-V155 VanDerWaalsContact O-CB 3.32Å; M151-V155 WeakPolarHBondContact O-CB 3.43Å; M151-V155 WeakPolarHBondContact O-CG2 3.07Å; M151-V155 PolarHBondContact O-N 3.23Å; G152-V155 PolarHBondContact O-N 3.42Å; V155-V184 HydrophobicContact CB-CG2 4.13Å; V155-V184 HydrophobicContact CG1-CG2 4.06Å
156L93Very high90.8Very high3 Ų328.2 Ų28.22%0.01615%0.15CC..SBendtrans-102.223.7-175.2-57.3174.5000112.4T116 L120 G152 P158 L177 L181T116-L156 HydrophobicContact CG2-CD1 3.39Å; L120-L156 HydrophobicContact CD2-CB 3.6Å; L120-L156 HydrophobicContact CD2-CD1 4.11Å; L120-L156 HydrophobicContact CD2-CG 4.46Å; G152-L156 WeakPolarHBondContact O-CA 3.16Å; G152-L156 VanDerWaalsContact O-CB 3.31Å; G152-L156 WeakPolarHBondContact O-CB 3.22Å; G152-L156 PolarHBondContact O-N 3.15Å; L156-P158 WeakPolarHBondContact O-CD 3.35Å; L156-P158 VanDerWaalsContact O-N 3.15Å; L156-L177 HydrophobicContact CD2-CD1 3.99Å; L156-L181 HydrophobicContact CD1-CD1 4.15Å; L156-L181 HydrophobicContact CD2-CB 4.08Å
157N92.2Very high90.4Very high17 Ų1731.8 Ų31.89%0.09117%0.171CC..  trans-65112.4-174.8-177.4-45.5000111.1N153 A159 T160 L161N153-N157 WeakPolarHBondContact O-CB 3.39Å; N157-A159 VanDerWaalsContact C-N 3.32Å; N157-A159 PolarHBondContact O-N 3.45Å; N157-A159 WeakPolarHBondContact OD1-CB 3.2Å; N157-A159 PolarHBondContact OD1-N 2.89Å; N157-T160 HydrophobicContact CB-CG2 3.86Å; N157-T160 PolarHBondContact O-N 3.12Å; N157-T160 VanDerWaalsContact O-N 3.09Å; N157-T160 PolarHBondContact O-OG1 2.92Å; N157-T160 PolarHBondContact OD1-N 3.33Å; N157-L161 PolarHBondContact O-N 2.64Å
158P89.1Confident90Very high39 Ų3934.6 Ų34.625%0.25319%0.185SC..Hα-helixtrans-60.5-36-177.221-33.9000113.6L120 M123 L156 T160 L161 V162L120-P158 WeakPolarHBondContact O-CD 3.31Å; M123-P158 HydrophobicContact CG-CG 3.79Å; M123-P158 HydrophobicContact SD-CG 3.78Å; L156-P158 WeakPolarHBondContact O-CD 3.35Å; L156-P158 VanDerWaalsContact O-N 3.15Å; P158-T160 VanDerWaalsContact C-N 3.31Å; P158-T160 PolarHBondContact O-N 3.49Å; P158-L161 PolarHBondContact O-N 3.42Å; P158-V162 VanDerWaalsContact O-CG2 3.31Å; P158-V162 WeakPolarHBondContact O-CG2 3.32Å; P158-V162 PolarHBondContact O-N 3.01Å
159A86.5Confident89.7Confident12 Ų1235.9 Ų35.910%0.09920%0.199CC..Hα-helixtrans-61-42.3176.500000111.2Y37 M123 N157 L161 V162 F163Y37-A159 HydrophobicContact CD1-CB 4.12Å; Y37-A159 HydrophobicContact CG-CB 4.12Å; M123-A159 HydrophobicContact SD-CB 3.79Å; N157-A159 VanDerWaalsContact C-N 3.32Å; N157-A159 PolarHBondContact O-N 3.45Å; N157-A159 WeakPolarHBondContact OD1-CB 3.2Å; N157-A159 PolarHBondContact OD1-N 2.89Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 3.48Å; A159-V162 PolarHBondContact O-N 3.03Å; A159-F163 HydrophobicContact CB-CE2 4.19Å; A159-F163 WeakPolarHBondContact O-CD2 3.31Å; A159-F163 WeakPolarHBondContact O-CG 3.2Å; A159-F163 PolarHBondContact O-N 3.45Å
160T88.1Confident89.6Confident51 Ų5142.6 Ų42.631%0.31322%0.224SC..Hα-helixtrans-65.4-37.1177.468.50000112.6N157 P158 M164N157-T160 HydrophobicContact CB-CG2 3.86Å; N157-T160 PolarHBondContact O-N 3.12Å; N157-T160 VanDerWaalsContact O-N 3.09Å; N157-T160 PolarHBondContact O-OG1 2.92Å; N157-T160 PolarHBondContact OD1-N 3.33Å; P158-T160 VanDerWaalsContact C-N 3.31Å; P158-T160 PolarHBondContact O-N 3.49Å; T160-M164 WeakPolarHBondContact O-CB 3.39Å; T160-M164 PolarHBondContact O-N 2.96Å
161L90.2Very high89.5Confident22 Ų2240.7 Ų40.712%0.11523%0.233CC..Hα-helixtrans-67.5-40.7178.2-66.9171.2000111.4N157 P158 A159 M164 G165 R176 L177N157-L161 PolarHBondContact O-N 2.64Å; P158-L161 PolarHBondContact O-N 3.42Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 3.48Å; L161-M164 PolarHBondContact O-N 2.82Å; L161-G165 PolarHBondContact O-N 3.49Å; L161-R176 HydrophobicContact CD2-CB 4.25Å; L161-R176 HydrophobicContact CD2-CG 4.1Å; L161-L177 HydrophobicContact CD1-CB 4.18Å; L161-L177 HydrophobicContact CD1-CD1 3.76Å; L161-L177 HydrophobicContact CD1-CG 4.37Å; L161-L177 HydrophobicContact CD2-CB 4Å
162V88.1Confident89.4Confident49 Ų4944.8 Ų44.830%0.29725%0.25SC..Hα-helixtrans-64.1-49.7176.2171.80000110.8A41 P158 A159 M164 G165 F166A41-V162 HydrophobicContact CB-CG1 4.39Å; P158-V162 VanDerWaalsContact O-CG2 3.31Å; P158-V162 WeakPolarHBondContact O-CG2 3.32Å; P158-V162 PolarHBondContact O-N 3.01Å; A159-V162 PolarHBondContact O-N 3.03Å; V162-M164 VanDerWaalsContact C-N 3.33Å; V162-M164 PolarHBondContact O-N 2.81Å; V162-G165 PolarHBondContact O-N 3.44Å; V162-F166 HydrophobicContact CG1-CD2 3.85Å; V162-F166 HydrophobicContact CG1-CE2 3.41Å; V162-F166 VanDerWaalsContact CG1-CE2 3.41Å; V162-F166 HydrophobicContact CG1-CZ 4.42Å; V162-F166 WeakPolarHBondContact O-CD2 3.17Å; V162-F166 PolarHBondContact O-N 3.22Å; V162-F166 VanDerWaalsContact O-N 3.13Å
163F85.5Confident89.3Confident31 Ų3145 Ų4514%0.13625%0.252CS..Hα-helixtrans-62.3-40.3177.2-67.1-52.3000112.7Y37 K40 A41 A44 I50 A159 G165 F166 V167Y37-F163 AromaticContact CD1-CE2 3.64Å; Y37-F163 HydrophobicContact CD1-CE2 3.64Å; Y37-F163 AromaticContact CD1-CZ 3.98Å; Y37-F163 HydrophobicContact CD1-CZ 3.98Å; Y37-F163 HydrophobicContact CE1-CE2 4.04Å; K40-F163 HydrophobicContact CB-CE1 4.22Å; K40-F163 HydrophobicContact CB-CZ 3.88Å; A41-F163 HydrophobicContact CB-CE1 4.42Å; A44-F163 HydrophobicContact CB-CD1 3.92Å; A44-F163 HydrophobicContact CB-CE1 3.97Å; I50-F163 HydrophobicContact CD1-CB 4.29Å; A159-F163 HydrophobicContact CB-CE2 4.19Å; A159-F163 WeakPolarHBondContact O-CD2 3.31Å; A159-F163 WeakPolarHBondContact O-CG 3.2Å; A159-F163 PolarHBondContact O-N 3.45Å; F163-G165 VanDerWaalsContact C-N 3.31Å; F163-G165 PolarHBondContact O-N 3.22Å; F163-F166 PolarHBondContact O-N 3.4Å; F163-V167 WeakPolarHBondContact O-CG2 3.45Å; F163-V167 PolarHBondContact O-N 3.38Å
164M87.4Confident89.3Confident48 Ų4847.4 Ų47.424%0.23627%0.272CS..Hα-helixtrans-64.6-37.9176-169.5178-167.600111.7T160 L161 V162 F166 V167 L168 G169 F172 A173 R176T160-M164 WeakPolarHBondContact O-CB 3.39Å; T160-M164 PolarHBondContact O-N 2.96Å; L161-M164 PolarHBondContact O-N 2.82Å; V162-M164 VanDerWaalsContact C-N 3.33Å; V162-M164 PolarHBondContact O-N 2.81Å; M164-F166 VanDerWaalsContact C-N 3.34Å; M164-F166 PolarHBondContact O-N 3.34Å; M164-V167 PolarHBondContact O-N 3.42Å; M164-L168 HydrophobicContact CE-CD2 3.83Å; M164-L168 HydrophobicContact CG-CB 4.32Å; M164-L168 PolarHBondContact O-N 2.86Å; M164-G169 PolarHBondContact O-N 2.98Å; M164-F172 HydrophobicContact CE-CB 3.78Å; M164-A173 HydrophobicContact CB-CB 4.36Å; M164-A173 HydrophobicContact CG-CB 4.4Å; M164-R176 HydrophobicContact CE-CB 4.39Å; M164-R176 HydrophobicContact SD-CB 3.89Å; M164-R176 WeakPolarHBondContact SD-CD 3.37Å; M164-R176 HydrophobicContact SD-CG 4.24Å
165G88Confident89.5Confident4 Ų450.8 Ų50.84%0.04129%0.286CS..Hα-helixtrans-60-41.5175.200000112.6L161 V162 F163 G169L161-G165 PolarHBondContact O-N 3.49Å; V162-G165 PolarHBondContact O-N 3.44Å; F163-G165 VanDerWaalsContact C-N 3.31Å; F163-G165 PolarHBondContact O-N 3.22Å; G165-G169 CarbonylContact O-C 3.59Å; G165-G169 WeakPolarHBondContact O-CA 3.38Å; G165-G169 PolarHBondContact O-N 2.84Å
166F84.2Confident89.5Confident58 Ų5854.4 Ų54.425%0.25430%0.296SS..Hα-helixtrans-77.1-34.4179.1-68.6-55.5000114.6A45 H48 V162 F163 M164 W170A45-F166 HydrophobicContact CB-CD1 4.5Å; A45-F166 HydrophobicContact CB-CE1 4.03Å; A45-F166 HydrophobicContact CB-CE2 4.13Å; A45-F166 HydrophobicContact CB-CZ 3.83Å; H48-F166 PolarHBondContact ND1-O 3.42Å; V162-F166 HydrophobicContact CG1-CD2 3.85Å; V162-F166 HydrophobicContact CG1-CE2 3.41Å; V162-F166 VanDerWaalsContact CG1-CE2 3.41Å; V162-F166 HydrophobicContact CG1-CZ 4.42Å; V162-F166 WeakPolarHBondContact O-CD2 3.17Å; V162-F166 PolarHBondContact O-N 3.22Å; V162-F166 VanDerWaalsContact O-N 3.13Å; F163-F166 PolarHBondContact O-N 3.4Å; M164-F166 VanDerWaalsContact C-N 3.34Å; M164-F166 PolarHBondContact O-N 3.34Å; F166-W170 HydrophobicContact CE1-CZ2 4.48Å
167V83.6Confident89.6Confident79 Ų7957.7 Ų57.748%0.47931%0.314SS..Hα-helixtrans-91-46.6-175.3175.40000113.1I50 F163 M164I50-V167 HydrophobicContact CD1-CG2 3.61Å; I50-V167 HydrophobicContact CG1-CG2 3.82Å; F163-V167 WeakPolarHBondContact O-CG2 3.45Å; F163-V167 PolarHBondContact O-N 3.38Å; M164-V167 PolarHBondContact O-N 3.42Å
168L85.1Confident89.8Confident97 Ų9761.2 Ų61.251%0.50834%0.335SS..THydrogen-bonded Turntrans-104.2-15.3-174.8-155.467.5000112.7M164 F172M164-L168 HydrophobicContact CE-CD2 3.83Å; M164-L168 HydrophobicContact CG-CB 4.32Å; M164-L168 PolarHBondContact O-N 2.86Å; L168-F172 HydrophobicContact CB-CB 4.5Å; L168-F172 HydrophobicContact CD2-CB 3.82Å; L168-F172 HydrophobicContact CD2-CD1 4.02Å; L168-F172 HydrophobicContact CD2-CD2 4.03Å; L168-F172 HydrophobicContact CD2-CG 3.71Å; L168-F172 HydrophobicContact CG-CB 4.23Å; L168-F172 HydrophobicContact CG-CD2 3.8Å; L168-F172 HydrophobicContact CG-CE2 4.29Å; L168-F172 HydrophobicContact CG-CG 4Å; L168-F172 WeakPolarHBondContact O-CD2 3.22Å
169G87.7Confident90.1Very high28 Ų2861.8 Ų61.829%0.28934%0.344SS..  trans103.9152.4-178.500000113.4M164 G165 G171 F172 A173M164-G169 PolarHBondContact O-N 2.98Å; G165-G169 CarbonylContact O-C 3.59Å; G165-G169 WeakPolarHBondContact O-CA 3.38Å; G165-G169 PolarHBondContact O-N 2.84Å; G169-G171 PolarHBondContact O-N 3.34Å; G169-F172 PolarHBondContact O-N 3.22Å; G169-A173 PolarHBondContact O-N 3.29Å
170W90.9Very high90.5Very high160 Ų16061.5 Ų61.561%0.60634%0.341SS*.Hα-helixtrans-63.5-25.3-175.4-72.1104.1000114.5F166 A173 A174F166-W170 HydrophobicContact CE1-CZ2 4.48Å; W170-A173 HydrophobicContact CE3-CB 4.44Å; W170-A173 PolarHBondContact O-N 3.23Å; W170-A174 WeakPolarHBondContact O-CB 3.29Å; W170-A174 PolarHBondContact O-N 3.18Å
171G92.9Very high90.9Very high52 Ų5262.3 Ų62.354%0.53634%0.344SS..Hα-helixtrans-62.2-47.9175.400000112.5G169 A174 I175G169-G171 PolarHBondContact O-N 3.34Å; G171-A174 PolarHBondContact O-N 2.87Å; G171-I175 WeakPolarHBondContact O-CG1 3.13Å; G171-I175 PolarHBondContact O-N 3.48Å
172F92.1Very high91.2Very high117 Ų11764.7 Ų64.751%0.51336%0.359SS..Hα-helixtrans-68.7-36.8177.6-71.8-83.2000112.4M164 L168 G169 A174 I175 R176M164-F172 HydrophobicContact CE-CB 3.78Å; L168-F172 HydrophobicContact CB-CB 4.5Å; L168-F172 HydrophobicContact CD2-CB 3.82Å; L168-F172 HydrophobicContact CD2-CD1 4.02Å; L168-F172 HydrophobicContact CD2-CD2 4.03Å; L168-F172 HydrophobicContact CD2-CG 3.71Å; L168-F172 HydrophobicContact CG-CB 4.23Å; L168-F172 HydrophobicContact CG-CD2 3.8Å; L168-F172 HydrophobicContact CG-CE2 4.29Å; L168-F172 HydrophobicContact CG-CG 4Å; L168-F172 WeakPolarHBondContact O-CD2 3.22Å; G169-F172 PolarHBondContact O-N 3.22Å; F172-A174 VanDerWaalsContact C-N 3.33Å; F172-A174 PolarHBondContact O-N 3.5Å; F172-I175 PolarHBondContact O-N 3.13Å; F172-R176 WeakPolarHBondContact O-CB 3.23Å; F172-R176 PolarHBondContact O-N 3.29Å
173A92.4Very high91.5Very high4 Ų467 Ų673%0.03337%0.368CS..Hα-helixtrans-61.4-4217400000111.7M164 G169 W170 R176 L177M164-A173 HydrophobicContact CB-CB 4.36Å; M164-A173 HydrophobicContact CG-CB 4.4Å; G169-A173 PolarHBondContact O-N 3.29Å; W170-A173 HydrophobicContact CE3-CB 4.44Å; W170-A173 PolarHBondContact O-N 3.23Å; A173-R176 PolarHBondContact O-N 3.01Å; A173-L177 WeakPolarHBondContact O-CB 3.29Å; A173-L177 PolarHBondContact O-N 3.11Å
174A94.4Very high92Very high51 Ų5165.5 Ų65.542%0.42136%0.361SS..Hα-helixtrans-64.8-44.417600000112.1W170 G171 F172 R176 L177 V178W170-A174 WeakPolarHBondContact O-CB 3.29Å; W170-A174 PolarHBondContact O-N 3.18Å; G171-A174 PolarHBondContact O-N 2.87Å; F172-A174 VanDerWaalsContact C-N 3.33Å; F172-A174 PolarHBondContact O-N 3.5Å; A174-R176 VanDerWaalsContact C-N 3.32Å; A174-R176 PolarHBondContact O-N 3.04Å; A174-L177 PolarHBondContact O-N 3.44Å; A174-V178 WeakPolarHBondContact O-CG2 3.29Å; A174-V178 PolarHBondContact O-N 2.9Å
175I95Very high92.3Very high111 Ų11164.7 Ų64.757%0.56936%0.357SS*.Hα-helixtrans-58.9-46174.9-67.8165.9000110.3G171 F172 L177 V178 A179G171-I175 WeakPolarHBondContact O-CG1 3.13Å; G171-I175 PolarHBondContact O-N 3.48Å; F172-I175 PolarHBondContact O-N 3.13Å; I175-L177 VanDerWaalsContact C-N 3.35Å; I175-L177 PolarHBondContact O-N 2.97Å; I175-V178 PolarHBondContact O-N 2.88Å; I175-A179 WeakPolarHBondContact O-CB 3.47Å; I175-A179 PolarHBondContact O-N 3.37Å
176R93.8Very high92.6Very high109 Ų10969 Ų6941%0.41138%0.379SS..Hα-helixtrans-59.3-44.9176.5179.9178.4-179.488.82.2111.7L161 M164 F172 A173 A174 G180L161-R176 HydrophobicContact CD2-CB 4.25Å; L161-R176 HydrophobicContact CD2-CG 4.1Å; M164-R176 HydrophobicContact CE-CB 4.39Å; M164-R176 HydrophobicContact SD-CB 3.89Å; M164-R176 WeakPolarHBondContact SD-CD 3.37Å; M164-R176 HydrophobicContact SD-CG 4.24Å; F172-R176 WeakPolarHBondContact O-CB 3.23Å; F172-R176 PolarHBondContact O-N 3.29Å; A173-R176 PolarHBondContact O-N 3.01Å; A174-R176 VanDerWaalsContact C-N 3.32Å; A174-R176 PolarHBondContact O-N 3.04Å; R176-G180 WeakPolarHBondContact O-CA 3.41Å; R176-G180 PolarHBondContact O-N 3.46Å
177L95.2Very high93.1Very high73 Ų7369.4 Ų69.438%0.38238%0.383SS..Hα-helixtrans-62.6-49.4178.6174.560.4000111.4L156 L161 A173 A174 I175 G180 L181L156-L177 HydrophobicContact CD2-CD1 3.99Å; L161-L177 HydrophobicContact CD1-CB 4.18Å; L161-L177 HydrophobicContact CD1-CD1 3.76Å; L161-L177 HydrophobicContact CD1-CG 4.37Å; L161-L177 HydrophobicContact CD2-CB 4Å; A173-L177 WeakPolarHBondContact O-CB 3.29Å; A173-L177 PolarHBondContact O-N 3.11Å; A174-L177 PolarHBondContact O-N 3.44Å; I175-L177 VanDerWaalsContact C-N 3.35Å; I175-L177 PolarHBondContact O-N 2.97Å; L177-G180 PolarHBondContact O-N 2.8Å; L177-L181 VanDerWaalsContact O-CB 3.26Å; L177-L181 WeakPolarHBondContact O-CB 3.3Å; L177-L181 PolarHBondContact O-N 2.89Å
178V95.8Very high93.5Very high90 Ų9065.6 Ų65.655%0.54536%0.36SS..Hα-helixtrans-66-50.5-178.9173.90000110.8A174 I175 G180 L181 V182A174-V178 WeakPolarHBondContact O-CG2 3.29Å; A174-V178 PolarHBondContact O-N 2.9Å; I175-V178 PolarHBondContact O-N 2.88Å; V178-G180 VanDerWaalsContact C-N 3.29Å; V178-G180 PolarHBondContact O-N 3.35Å; V178-L181 PolarHBondContact O-N 3.27Å; V178-V182 HydrophobicContact CG1-CG2 4.38Å; V178-V182 WeakPolarHBondContact O-CB 3.27Å; V178-V182 VanDerWaalsContact O-CG2 3.25Å; V178-V182 WeakPolarHBondContact O-CG2 3.46Å; V178-V182 PolarHBondContact O-N 2.94Å
179A95.8Very high93.7Very high52 Ų5262.7 Ų62.743%0.4335%0.347SS..Hα-helixtrans-60.7-40.817800000111.5I175 M183I175-A179 WeakPolarHBondContact O-CB 3.47Å; I175-A179 PolarHBondContact O-N 3.37Å; A179-M183 WeakPolarHBondContact O-CB 3.42Å; A179-M183 PolarHBondContact O-N 2.84Å
180G95.4Very high93.9Very high5 Ų565.2 Ų65.25%0.05235%0.353CS..Hα-helixtrans-63.8-4517600000112.8R176 L177 V178 M183 V184R176-G180 WeakPolarHBondContact O-CA 3.41Å; R176-G180 PolarHBondContact O-N 3.46Å; L177-G180 PolarHBondContact O-N 2.8Å; V178-G180 VanDerWaalsContact C-N 3.29Å; V178-G180 PolarHBondContact O-N 3.35Å; G180-M183 PolarHBondContact O-N 3.44Å; G180-V184 VanDerWaalsContact O-CG2 3.26Å; G180-V184 WeakPolarHBondContact O-CG2 3.06Å; G180-V184 PolarHBondContact O-N 3.25Å
181L95.7Very high93.8Very high69 Ų6959.3 Ų59.336%0.36134%0.335SS..Hα-helixtrans-65.1-45.7178.9-177.963.1000111T116 L156 L177 V178 V184 L185T116-L181 HydrophobicContact CG2-CD1 3.91Å; L156-L181 HydrophobicContact CD1-CD1 4.15Å; L156-L181 HydrophobicContact CD2-CB 4.08Å; L177-L181 VanDerWaalsContact O-CB 3.26Å; L177-L181 WeakPolarHBondContact O-CB 3.3Å; L177-L181 PolarHBondContact O-N 2.89Å; V178-L181 PolarHBondContact O-N 3.27Å; L181-V184 PolarHBondContact O-N 3.22Å; L181-L185 HydrophobicContact CD1-CD1 3.92Å; L181-L185 HydrophobicContact CD1-CG 4.16Å; L181-L185 HydrophobicContact CG-CD1 3.97Å; L181-L185 WeakPolarHBondContact O-CB 3.34Å; L181-L185 VanDerWaalsContact O-CG 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.16Å; L181-L185 PolarHBondContact O-N 3.05Å
182V95.7Very high93.5Very high72 Ų7257 Ų5744%0.43631%0.309SS..Hα-helixtrans-59.1-48.5174.8170.50000110.2V178 V184 L185 L186V178-V182 HydrophobicContact CG1-CG2 4.38Å; V178-V182 WeakPolarHBondContact O-CB 3.27Å; V178-V182 VanDerWaalsContact O-CG2 3.25Å; V178-V182 WeakPolarHBondContact O-CG2 3.46Å; V178-V182 PolarHBondContact O-N 2.94Å; V182-V184 PolarHBondContact O-N 3.45Å; V182-L185 PolarHBondContact O-N 3.49Å; V182-L186 HydrophobicContact CG1-CD1 3.45Å; V182-L186 VanDerWaalsContact CG1-CD1 3.45Å; V182-L186 HydrophobicContact CG1-CG 3.97Å; V182-L186 WeakPolarHBondContact O-CB 3.37Å; V182-L186 WeakPolarHBondContact O-CG 3.44Å; V182-L186 PolarHBondContact O-N 2.85Å
183M95.4Very high93.2Very high97 Ų9758.3 Ų58.348%0.47832%0.315SS..Hα-helixtrans-58.6-48.6179.2-179.5-179.1-65.100112.2A179 G180 I187A179-M183 WeakPolarHBondContact O-CB 3.42Å; A179-M183 PolarHBondContact O-N 2.84Å; G180-M183 PolarHBondContact O-N 3.44Å; M183-I187 HydrophobicContact CG-CD1 3.56Å; M183-I187 HydrophobicContact CG-CG1 4.46Å; M183-I187 VanDerWaalsContact O-CB 3.31Å; M183-I187 WeakPolarHBondContact O-CB 3.39Å; M183-I187 VanDerWaalsContact O-CG1 3.26Å; M183-I187 WeakPolarHBondContact O-CG1 3.32Å; M183-I187 PolarHBondContact O-N 3Å
184V95.2Very high93Very high0 Ų067.5 Ų67.50%035%0.349CS..Hα-helixtrans-62.8-49-179.8172.20000110.7T116 A148 M151 V155 G180 L181 V182 A188T116-V184 HydrophobicContact CG2-CG1 4.2Å; A148-V184 HydrophobicContact CB-CG1 4Å; M151-V184 HydrophobicContact CB-CG2 4.14Å; V155-V184 HydrophobicContact CB-CG2 4.13Å; V155-V184 HydrophobicContact CG1-CG2 4.06Å; G180-V184 VanDerWaalsContact O-CG2 3.26Å; G180-V184 WeakPolarHBondContact O-CG2 3.06Å; G180-V184 PolarHBondContact O-N 3.25Å; L181-V184 PolarHBondContact O-N 3.22Å; V182-V184 PolarHBondContact O-N 3.45Å; V184-A188 WeakPolarHBondContact O-CB 3.06Å; V184-A188 PolarHBondContact O-N 2.82Å
185L94.5Very high92.4Very high30 Ų3067.7 Ų67.716%0.15735%0.345CS..Hα-helixtrans-66.8-43.6-178.8-66.5177.4000111.8T112 L113 L181 V182 T189T112-L185 HydrophobicContact CG2-CD2 3.87Å; L113-L185 HydrophobicContact CD1-CD2 4.49Å; L181-L185 HydrophobicContact CD1-CD1 3.92Å; L181-L185 HydrophobicContact CD1-CG 4.16Å; L181-L185 HydrophobicContact CG-CD1 3.97Å; L181-L185 WeakPolarHBondContact O-CB 3.34Å; L181-L185 VanDerWaalsContact O-CG 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.16Å; L181-L185 PolarHBondContact O-N 3.05Å; V182-L185 PolarHBondContact O-N 3.49Å; L185-T189 VanDerWaalsContact O-CB 3.25Å; L185-T189 WeakPolarHBondContact O-CB 3.44Å; L185-T189 WeakPolarHBondContact O-CG2 3.11Å; L185-T189 PolarHBondContact O-N 3.25Å; L185-T189 PolarHBondContact O-OG1 2.79Å
186L93.9Very high91.1Very high96 Ų9673.1 Ų73.150%0.50336%0.358SS..Hα-helixtrans-63.6-51.7178.3-72.3-178.9000111.3V182 A188 T189 L190V182-L186 HydrophobicContact CG1-CD1 3.45Å; V182-L186 VanDerWaalsContact CG1-CD1 3.45Å; V182-L186 HydrophobicContact CG1-CG 3.97Å; V182-L186 WeakPolarHBondContact O-CB 3.37Å; V182-L186 WeakPolarHBondContact O-CG 3.44Å; V182-L186 PolarHBondContact O-N 2.85Å; L186-A188 PolarHBondContact O-N 3.07Å; L186-T189 PolarHBondContact O-N 2.89Å; L186-T189 PolarHBondContact O-OG1 3.34Å; L186-L190 VanDerWaalsContact O-CB 3.28Å; L186-L190 WeakPolarHBondContact O-CB 3.32Å; L186-L190 WeakPolarHBondContact O-CG 3.23Å; L186-L190 PolarHBondContact O-N 2.89Å
187I94.1Very high89.8Confident65 Ų6571.5 Ų71.533%0.33336%0.355SS..Hα-helixtrans-64.5-46.1-177.3-66.8172000110.4L147 M151 M183 T189 L190 V191L147-I187 HydrophobicContact CD2-CG2 4.18Å; M151-I187 HydrophobicContact CE-CB 4.33Å; M151-I187 HydrophobicContact CE-CD1 3.7Å; M151-I187 HydrophobicContact CE-CG2 4.17Å; M151-I187 HydrophobicContact SD-CB 4.36Å; M151-I187 HydrophobicContact SD-CG2 3.83Å; M183-I187 HydrophobicContact CG-CD1 3.56Å; M183-I187 HydrophobicContact CG-CG1 4.46Å; M183-I187 VanDerWaalsContact O-CB 3.31Å; M183-I187 WeakPolarHBondContact O-CB 3.39Å; M183-I187 VanDerWaalsContact O-CG1 3.26Å; M183-I187 WeakPolarHBondContact O-CG1 3.32Å; M183-I187 PolarHBondContact O-N 3Å; I187-T189 PolarHBondContact O-N 2.93Å; I187-L190 PolarHBondContact O-N 2.96Å; I187-V191 HydrophobicContact CG2-CG2 4.33Å; I187-V191 WeakPolarHBondContact O-CB 3.42Å; I187-V191 VanDerWaalsContact O-CG2 3.26Å; I187-V191 WeakPolarHBondContact O-CG2 3.23Å; I187-V191 PolarHBondContact O-N 3.36Å
188A92.2Very high88Confident0 Ų073.1 Ų73.10%037%0.368CS..Hα-helixtrans-63.1-42.2179.500000112.7T112 A148 V184 L186 Q192T112-A188 HydrophobicContact CG2-CB 3.52Å; A148-A188 HydrophobicContact CB-CB 3.83Å; V184-A188 WeakPolarHBondContact O-CB 3.06Å; V184-A188 PolarHBondContact O-N 2.82Å; L186-A188 PolarHBondContact O-N 3.07Å; A188-Q192 VanDerWaalsContact O-CB 3.23Å; A188-Q192 WeakPolarHBondContact O-CB 3.41Å; A188-Q192 PolarHBondContact O-N 3.23Å
189T89.9Confident86Confident36 Ų3673.9 Ų73.922%0.22138%0.375CS..Hα-helixtrans-70.1-38.617855.30000112.9F109 T112 L185 L186 I187 Q192 K193F109-T189 HydrophobicContact CD2-CG2 3.63Å; F109-T189 HydrophobicContact CE2-CG2 4.08Å; T112-T189 HydrophobicContact CG2-CG2 4.02Å; L185-T189 VanDerWaalsContact O-CB 3.25Å; L185-T189 WeakPolarHBondContact O-CB 3.44Å; L185-T189 WeakPolarHBondContact O-CG2 3.11Å; L185-T189 PolarHBondContact O-N 3.25Å; L185-T189 PolarHBondContact O-OG1 2.79Å; L186-T189 PolarHBondContact O-N 2.89Å; L186-T189 PolarHBondContact O-OG1 3.34Å; I187-T189 PolarHBondContact O-N 2.93Å; T189-Q192 PolarHBondContact O-N 3.1Å; T189-K193 WeakPolarHBondContact O-CB 3.28Å; T189-K193 PolarHBondContact O-N 3.25Å
190L91.5Very high84Confident80 Ų8076.6 Ų76.642%0.41938%0.379SS..Hα-helixtrans-63.7-48.7175.4-74173.3000111.1L186 I187 Q192 K193 W194L186-L190 VanDerWaalsContact O-CB 3.28Å; L186-L190 WeakPolarHBondContact O-CB 3.32Å; L186-L190 WeakPolarHBondContact O-CG 3.23Å; L186-L190 PolarHBondContact O-N 2.89Å; I187-L190 PolarHBondContact O-N 2.96Å; L190-Q192 VanDerWaalsContact C-N 3.28Å; L190-Q192 PolarHBondContact O-N 3.35Å; L190-K193 WeakPolarHBondContact O-CB 3.49Å; L190-K193 PolarHBondContact O-N 3.01Å; L190-W194 PolarHBondContact O-N 3.05Å
191V90Very high81.5Confident37 Ų3782.8 Ų82.822%0.22442%0.416CS..Hα-helixtrans-59.4-43.1176.5170.50000110.5L147 I187 K193 W194 V195L147-V191 HydrophobicContact CD2-CB 3.9Å; L147-V191 HydrophobicContact CD2-CG1 4Å; L147-V191 HydrophobicContact CD2-CG2 3.76Å; I187-V191 HydrophobicContact CG2-CG2 4.33Å; I187-V191 WeakPolarHBondContact O-CB 3.42Å; I187-V191 VanDerWaalsContact O-CG2 3.26Å; I187-V191 WeakPolarHBondContact O-CG2 3.23Å; I187-V191 PolarHBondContact O-N 3.36Å; V191-K193 VanDerWaalsContact C-N 3.26Å; V191-K193 PolarHBondContact O-N 2.88Å; V191-W194 PolarHBondContact O-N 3.35Å; V191-V195 HydrophobicContact CG1-CG2 3.89Å; V191-V195 WeakPolarHBondContact O-CB 3.32Å; V191-V195 VanDerWaalsContact O-CG2 3.31Å; V191-V195 WeakPolarHBondContact O-CG2 3.27Å; V191-V195 PolarHBondContact O-N 3.11Å
192Q86Confident79Confident2 Ų286.1 Ų86.11%0.00943%0.43CS..Hα-helixtrans-66.8-25.5177.3-172.7167.929.100114.1R108 T112 S142 A188 T189 L190R108-Q192 VanDerWaalsContact CA-CD 3.47Å; R108-Q192 HydrophobicContact CB-CG 4.12Å; R108-Q192 HydrophobicContact CG-CG 3.83Å; R108-Q192 PolarHBondContact NE-O 2.96Å; R108-Q192 VanDerWaalsContact NE-O 3.08Å; R108-Q192 PolarHBondContact O-OE1 3.42Å; T112-Q192 PolarHBondContact OG1-OE1 2.83Å; S142-Q192 VanDerWaalsContact CB-NE2 3.3Å; A188-Q192 VanDerWaalsContact O-CB 3.23Å; A188-Q192 WeakPolarHBondContact O-CB 3.41Å; A188-Q192 PolarHBondContact O-N 3.23Å; T189-Q192 PolarHBondContact O-N 3.1Å; L190-Q192 VanDerWaalsContact C-N 3.28Å; L190-Q192 PolarHBondContact O-N 3.35Å
193K86Confident76.8Confident146 Ų14686.6 Ų86.664%0.63544%0.441SS*.Hα-helixtrans-75.9-37.8173.4-172.8177.2177-177.50111.4T189 L190 V191T189-K193 WeakPolarHBondContact O-CB 3.28Å; T189-K193 PolarHBondContact O-N 3.25Å; L190-K193 WeakPolarHBondContact O-CB 3.49Å; L190-K193 PolarHBondContact O-N 3.01Å; V191-K193 VanDerWaalsContact C-N 3.26Å; V191-K193 PolarHBondContact O-N 2.88Å
194W86.7Confident74.5Confident197 Ų19786.8 Ų86.875%0.74645%0.45SS*.Hα-helixtrans-82.6-36.8-177.3-66.6-12.4000113.6L190 V191 R196L190-W194 PolarHBondContact O-N 3.05Å; V191-W194 PolarHBondContact O-N 3.35Å; W194-R196 PolarHBondContact O-N 3.41Å
195V82.6Confident72.4Confident55 Ų5590.9 Ų90.933%0.33348%0.476SS..SBendtrans-77.1110.5177.6-178.90000108.5M143 V191 E197M143-V195 HydrophobicContact CG-CB 4.38Å; M143-V195 HydrophobicContact CG-CG1 3.93Å; V191-V195 HydrophobicContact CG1-CG2 3.89Å; V191-V195 WeakPolarHBondContact O-CB 3.32Å; V191-V195 VanDerWaalsContact O-CG2 3.31Å; V191-V195 WeakPolarHBondContact O-CG2 3.27Å; V191-V195 PolarHBondContact O-N 3.11Å; V195-E197 PolarHBondContact O-N 3.3Å
196R67.3Low70.4Confident224 Ų22495.6 Ų95.685%0.84550%0.501SS*.  trans-64.4107.3164-67.5-180-177.5-103.80.9106.6W194 T198W194-R196 PolarHBondContact O-N 3.41Å; R196-T198 PolarHBondContact O-N 3.19Å
197E67Low68.4Low76 Ų7693.3 Ų93.336%0.35550%0.501SS..  trans-68.285173-76.6141.3157.800108.3M143 V195M143-E197 HydrophobicContact CG-CG 4.32Å; M143-E197 PolarHBondContact N-OE1 3.15Å; V195-E197 PolarHBondContact O-N 3.3Å
198T57.5Low66.1Low106 Ų10696.6 Ų96.665%0.6552%0.515SS*.  trans-61.1128.8162-44.60000106.2R196 Q200R196-T198 PolarHBondContact O-N 3.19Å; T198-Q200 PolarHBondContact O-N 2.82Å
199P54.7Low63.9Low106 Ų10698.3 Ų98.369%0.68853%0.533SS*.  trans-50.4113171.2-2231.2000106.9T201P199-T201 VanDerWaalsContact C-N 3.34Å; P199-T201 PolarHBondContact O-N 3Å
200Q52.6Low61.9Low110 Ų11099.3 Ų99.351%0.51455%0.545SS..  trans-69.8101.8-175.9-74.5-113.3-45.600105.8Q140 T198 Q202Q140-Q200 VanDerWaalsContact NE2-CB 3.33Å; Q140-Q200 PolarHBondContact NE2-O 2.92Å; T198-Q200 PolarHBondContact O-N 2.82Å; Q200-Q202 PolarHBondContact O-N 2.9Å; Q200-Q202 VanDerWaalsContact O-N 3.16Å
201T43.7Very low60Low134 Ų134102 Ų10282%0.82256%0.557SS**  trans-45.9123.6170.8-53.60000107.2P199 A203P199-T201 VanDerWaalsContact C-N 3.34Å; P199-T201 PolarHBondContact O-N 3Å; T201-A203 PolarHBondContact O-N 3.1Å
202Q43.5Very low58.2Low139 Ų139104.7 Ų104.765%0.6557%0.57SS**  trans-42114.1-176.4-62173.9-14.900109.3Q200Q200-Q202 PolarHBondContact O-N 2.9Å; Q200-Q202 VanDerWaalsContact O-N 3.16Å
203A49.2Very low56.6Low82 Ų82107.6 Ų107.668%0.67859%0.594SS**PPolyproline II helixtrans-56.4129.116100000105.8T201T201-A203 PolarHBondContact O-N 3.1Å
204P46.5Very low55.1Low102 Ų102108.6 Ų108.666%0.66260%0.599SS**PPolyproline II helixtrans-53145.3-179.920.1-30.1000109.2L206P204-L206 PolarHBondContact O-N 3.07Å
205P50.4Low53.8Low86 Ų86106.1 Ų106.156%0.55860%0.6SS**PPolyproline II helixtrans-49.9117.2-176.317.9-29.7000110.3G207 Q208P205-G207 PolarHBondContact O-N 3.16Å; P205-Q208 PolarHBondContact O-N 3.22Å
206L53.6Low52.6Low128 Ų128111.5 Ų111.567%0.6762%0.621SS**THydrogen-bonded Turntrans-72.267.6179.8-154.1-167.6000109P204 A210P204-L206 PolarHBondContact O-N 3.07Å; L206-A210 HydrophobicContact CD2-CB 4.3Å
207G50.9Low52.1Low49 Ų49108.8 Ų108.851%0.50561%0.612SS.*THydrogen-bonded Turntrans-178.2-18.2-17400000113.5P205P205-G207 PolarHBondContact O-N 3.16Å
208Q47.1Very low51.5Low133 Ų133110 Ų11062%0.62162%0.621SS**THydrogen-bonded Turntrans-108.7-58.1168.9-74.5169.5-13.400109.3P205 A210 M211 D212P205-Q208 PolarHBondContact O-N 3.22Å; Q208-A210 VanDerWaalsContact C-N 3.28Å; Q208-A210 PolarHBondContact O-N 3.44Å; Q208-M211 PolarHBondContact O-N 3.25Å; Q208-M211 VanDerWaalsContact O-N 3.09Å; Q208-D212 WeakPolarHBondContact O-CB 3.32Å; Q208-D212 PolarHBondContact O-N 3.08Å
209G44.3Very low51.6Low37 Ų37110.1 Ų110.138%0.38162%0.624SS.*Hα-helixtrans-63.9-19.5-175.300000117.1A213G209-A213 WeakPolarHBondContact O-CB 3.45Å; G209-A213 PolarHBondContact O-N 3.43Å
210A49.1Very low51.7Low57 Ų57107.8 Ų107.847%0.47162%0.619SS.*Hα-helixtrans-86.3-29.9176.400000112.9L206 Q208 F214L206-A210 HydrophobicContact CD2-CB 4.3Å; Q208-A210 VanDerWaalsContact C-N 3.28Å; Q208-A210 PolarHBondContact O-N 3.44Å; A210-F214 VanDerWaalsContact O-CB 3.27Å; A210-F214 WeakPolarHBondContact O-CB 3.38Å; A210-F214 PolarHBondContact O-N 2.69Å
211M51.1Low51.6Low136 Ų136109.2 Ų109.267%0.6763%0.629SS**Hα-helixtrans-77.2-40.4169.5-78.4-174.2149.400109.9Q208 F214 L215Q208-M211 PolarHBondContact O-N 3.25Å; Q208-M211 VanDerWaalsContact O-N 3.09Å; M211-F214 PolarHBondContact O-N 3.39Å; M211-L215 WeakPolarHBondContact O-CB 3.34Å; M211-L215 VanDerWaalsContact O-CG 3.28Å; M211-L215 WeakPolarHBondContact O-CG 3.27Å; M211-L215 PolarHBondContact O-N 2.95Å
212D51.8Low51.8Low93 Ų93110.4 Ų110.450%0.49763%0.625SS.*Hα-helixtrans-63-44.6174.5-56-29.1000110.5Q208 F214 L215 E216Q208-D212 WeakPolarHBondContact O-CB 3.32Å; Q208-D212 PolarHBondContact O-N 3.08Å; D212-F214 VanDerWaalsContact C-N 3.32Å; D212-F214 PolarHBondContact O-N 3.47Å; D212-L215 PolarHBondContact O-N 2.96Å; D212-E216 WeakPolarHBondContact O-CB 3.44Å; D212-E216 PolarHBondContact O-N 3.2Å
213A53.8Low51.9Low63 Ų63110 Ų11052%0.52163%0.634SS.*Hα-helixtrans-71-21.6176.600000114.4G209 Y217G209-A213 WeakPolarHBondContact O-CB 3.45Å; G209-A213 PolarHBondContact O-N 3.43Å; A213-Y217 WeakPolarHBondContact O-CB 3.39Å; A213-Y217 PolarHBondContact O-N 2.9Å
214F53.5Low51.8Low167 Ų167112 Ų11273%0.73264%0.642SS**Hα-helixtrans-85.6-30174.4-161.875.2000111.9A210 M211 D212A210-F214 VanDerWaalsContact O-CB 3.27Å; A210-F214 WeakPolarHBondContact O-CB 3.38Å; A210-F214 PolarHBondContact O-N 2.69Å; M211-F214 PolarHBondContact O-N 3.39Å; D212-F214 VanDerWaalsContact C-N 3.32Å; D212-F214 PolarHBondContact O-N 3.47Å
215L58.7Low51.9Low146 Ų146112.1 Ų112.176%0.76465%0.645SS**Hα-helixtrans-76.9-30.4170.5-70.3172.9000112.1M211 D212 Y217M211-L215 WeakPolarHBondContact O-CB 3.34Å; M211-L215 VanDerWaalsContact O-CG 3.28Å; M211-L215 WeakPolarHBondContact O-CG 3.27Å; M211-L215 PolarHBondContact O-N 2.95Å; D212-L215 PolarHBondContact O-N 2.96Å; L215-Y217 VanDerWaalsContact C-N 3.35Å
216E59Low51.6Low168 Ų168113.9 Ų113.979%0.78566%0.655SS**SBendtrans-87.1-4.3175.1-153114.5133.800112.8D212 D218D212-E216 WeakPolarHBondContact O-CB 3.44Å; D212-E216 PolarHBondContact O-N 3.2Å; E216-D218 PolarHBondContact O-N 3.41Å
217Y56.1Low50.9Low166 Ų166112 Ų11265%0.65167%0.667SS**  trans-76.477.1170-170.6-99.5000109.3A213 L215 P219A213-Y217 WeakPolarHBondContact O-CB 3.39Å; A213-Y217 PolarHBondContact O-N 2.9Å; L215-Y217 VanDerWaalsContact C-N 3.35Å; Y217-P219 HydrophobicContact CE1-CB 4.22Å; Y217-P219 VanDerWaalsContact O-CD 3.3Å; Y217-P219 WeakPolarHBondContact O-CD 3.47Å
218D54.3Low50.5Low103 Ų103116.2 Ų116.255%0.55168%0.682SS**  trans-82.9109.3162.6-166.2-47.7000108.1E216 G220 L221E216-D218 PolarHBondContact O-N 3.41Å; D218-G220 PolarHBondContact O-N 2.99Å; D218-G220 WeakPolarHBondContact OD1-CA 3.04Å; D218-G220 PolarHBondContact OD1-N 3.5Å; D218-L221 PolarHBondContact O-N 3.06Å
219P60.1Low50Low108 Ų108113.2 Ų113.270%0.70169%0.687SS**THydrogen-bonded Turntrans-65.8-1.7-179.426.7-33.2000113.6Y217Y217-P219 HydrophobicContact CE1-CB 4.22Å; Y217-P219 VanDerWaalsContact O-CD 3.3Å; Y217-P219 WeakPolarHBondContact O-CD 3.47Å
220G57.2Low49.7Very low57 Ų57118.2 Ų118.259%0.58871%0.714SS**THydrogen-bonded Turntrans-103.8-7.9-178.800000116.4D218D218-G220 PolarHBondContact O-N 2.99Å; D218-G220 WeakPolarHBondContact OD1-CA 3.04Å; D218-G220 PolarHBondContact OD1-N 3.5Å
221L49.1Very low49.2Very low140 Ų140126.9 Ų126.973%0.73374%0.735SS**  trans-105.483.6-174.9-12084.7000112.6D218 P223D218-L221 PolarHBondContact O-N 3.06Å; L221-P223 VanDerWaalsContact O-CD 3.28Å; L221-P223 WeakPolarHBondContact O-CD 3.3Å
222H48.1Very low48.9Very low159 Ų159126.6 Ų126.674%0.73674%0.741SS**  trans-68.8116161.5-93.3-108.4000109.7C224H222-C224 PolarHBondContact O-N 3.33Å
223P46.6Very low48.1Very low129 Ų129133.3 Ų133.384%0.83876%0.759SS**THydrogen-bonded Turntrans-83.341.2-176.134.4-34.4000113.1L221L221-P223 VanDerWaalsContact O-CD 3.28Å; L221-P223 WeakPolarHBondContact O-CD 3.3Å
224C46.9Very low47.5Very low125 Ų125137.2 Ų137.285%0.84577%0.771SS**THydrogen-bonded Turntrans-124.30.3-177-110.60000115.8H222H222-C224 PolarHBondContact O-N 3.33Å
225S47.8Very low47.2Very low105 Ų105135.6 Ų135.673%0.73477%0.774SS**SBendtrans-111.4-7-170.471.30000116.8
226T43.8Very low46.8Very low123 Ų123134.5 Ų134.576%0.75577%0.768SS**  trans-124.398.7-178.153.30000112V228T226-V228 VanDerWaalsContact C-N 3.26Å; T226-V228 PolarHBondContact O-N 3.21Å
227G38.7Very low46.3Very low89 Ų89131.3 Ų131.392%0.91876%0.762SS**  trans-71.264.9179.400000114.8
228V43.2Very low46Very low136 Ų136129.1 Ų129.182%0.82477%0.768SS**  trans-137103173.9-170.70000110.3T226T226-V228 VanDerWaalsContact C-N 3.26Å; T226-V228 PolarHBondContact O-N 3.21Å
229G37.4Very low45.3Very low70 Ų70129.9 Ų129.972%0.72278%0.78SS**  trans81.266148.500000119.1R231G229-R231 VanDerWaalsContact C-N 3.29Å; G229-R231 PolarHBondContact O-N 3.31Å
230C38.2Very low44.7Very low143 Ų143136 Ų13697%0.96679%0.789SS**  trans-70.881.8158.8-91.30000111.1
231R38.3Very low44.1Very low239 Ų239145.2 Ų145.290%0.90281%0.806SS**  trans-128.754.5163.9-95.7-166.8-165.3-141.85.3111.1G229G229-R231 VanDerWaalsContact C-N 3.29Å; G229-R231 PolarHBondContact O-N 3.31Å
232T45.2Very low43.9Very low130 Ų130144.1 Ų144.180%0.79881%0.809SS**SBendtrans-149.288.2165.6-6.50000110.9L234T232-L234 PolarHBondContact O-N 3.05Å
233R34.8Very low43.4Very low234 Ų234142.8 Ų142.888%0.88382%0.816SS**  trans17.177.6139.8-160.2179.2-84.8-137.1-0.3116.2V235R233-V235 HydrophobicContact CG-CG2 4.46Å
234L41.5Very low43.1Very low145 Ų145151.6 Ų151.676%0.75983%0.832SS**  trans-109.398.1154.6-134.690.1000108T232 I236T232-L234 PolarHBondContact O-N 3.05Å; L234-I236 VanDerWaalsContact C-N 3.27Å; L234-I236 HydrophobicContact CD2-CD1 3.96Å; L234-I236 HydrophobicContact CD2-CG1 3.85Å; L234-I236 PolarHBondContact O-N 3.07Å
235V45.6Very low43Very low132 Ų132152.9 Ų152.980%0.883%0.832SS**  trans-78.783.5172.2-178.70000107R233R233-V235 HydrophobicContact CG-CG2 4.46Å
236I51.4Low42.7Very low124 Ų124155.4 Ų155.464%0.63684%0.837SS**PPolyproline II helixtrans-76.8119.6164.8-60.9167000106.2L234L234-I236 VanDerWaalsContact C-N 3.27Å; L234-I236 HydrophobicContact CD2-CD1 3.96Å; L234-I236 HydrophobicContact CD2-CG1 3.85Å; L234-I236 PolarHBondContact O-N 3.07Å
237P49Very low42.6Very low101 Ų101157.2 Ų157.266%0.65684%0.842SS**PPolyproline II helixtrans-63.8133.9173.226.4-31.7000109C239P237-C239 PolarHBondContact O-N 3.13Å
238P48.7Very low42.9Very low120 Ų120161.2 Ų161.278%0.77984%0.837SS**PPolyproline II helixtrans-63.1121.6-176.224.1-32000110.4R240P238-R240 PolarHBondContact O-N 2.94Å
239C40.3Very low42.9Very low119 Ų119162.8 Ų162.880%0.80484%0.838SS**  trans-58.4103.2164.6-90.40000109.2P237 W241P237-C239 PolarHBondContact O-N 3.13Å; C239-W241 PolarHBondContact O-N 3.32Å; C239-W241 VanDerWaalsContact O-N 3.16Å
240R47.7Very low43.2Very low237 Ų237169 Ų16989%0.89485%0.846SS**THydrogen-bonded Turntrans-78.914.8-178.2-135.4173-169.2-109.93.1114.2P238P238-R240 PolarHBondContact O-N 2.94Å
241W44.8Very low43.6Very low249 Ų249170.9 Ų170.994%0.94384%0.837SS**THydrogen-bonded Turntrans-113.9-0.1-175.8-82.192.6000114.9C239C239-W241 PolarHBondContact O-N 3.32Å; C239-W241 VanDerWaalsContact O-N 3.16Å
242C44.8Very low44Very low117 Ų117165.6 Ų165.679%0.79183%0.832SS**SBendtrans-995178.7-131.90000114.5
243C36Very low43.9Very low132 Ų132168.6 Ų168.689%0.89284%0.835SS**  trans-11567.8173.1-760000110.6
244R42.1Very low44.7Very low313 Ų313162.6 Ų162.6100%1.18183%0.83SS**  trans-160.40150.7-139.2-177.9-131-114.81.3108.3

Retrieved 244 of 244 residues in 1710.8 ms (Link to these results)