G4LWQ5_SCHMA Loading...

Activator protein 4 (Ap4), putative

AlphaFold DB , UniProt , Accession G4LWQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 328 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
1M47.4Very low53.7Low237 Ų237159.4 Ų159.4100%1.16781%0.811SS**  092.30-63.4-175.7-86.800104.3
2E55.7Low54.4Low189 Ų189157.7 Ų157.788%0.88381%0.814SS**  cis-143.8136.543.9-64.9167.714600109.4
3N47.4Very low53.7Low157 Ų157158.2 Ų158.284%0.8482%0.819SS**  trans-85.3115.2176.7-64.6-34.1000108.7
4K63.1Low53.5Low214 Ų214151.8 Ų151.893%0.9381%0.811SS**  trans-95.1109.4161.2-88.6-167.6174.8-1620109.5
5L56.6Low53.6Low155 Ų155149.4 Ų149.481%0.81281%0.809SS**  trans-52.5125.8-176-78.4143.4000113.3V7L5-V7 PolarHBondContact O-N 3.25Å
6F50.9Low53Low182 Ų182152.6 Ų152.680%0.79882%0.817SS**  trans-66105153.9-179-104.7000107.9S8F6-S8 PolarHBondContact O-N 3.42Å
7V59.3Low53Low116 Ų116154.1 Ų154.170%0.70382%0.815SS**  trans-88.797.9168.6179.20000107.2L5 E9L5-V7 PolarHBondContact O-N 3.25Å; V7-E9 HydrophobicContact CG1-CB 4.29Å; V7-E9 HydrophobicContact CG1-CG 4.4Å
8S45.5Very low52.8Low81 Ų81152.1 Ų152.157%0.56682%0.815SS**  trans-91.6100.3162.1-162.90000106.5F6F6-S8 PolarHBondContact O-N 3.42Å
9E49.9Very low53.2Low163 Ų163149.4 Ų149.476%0.76281%0.809SS**  trans-136.8105.8169.3-83.5-164.1141.300111.5V7V7-E9 HydrophobicContact CG1-CB 4.29Å; V7-E9 HydrophobicContact CG1-CG 4.4Å
10M56.9Low53.4Low139 Ų139153.3 Ų153.369%0.68581%0.812SS**  trans62125.3134.4-47.3-61.192.200119.5V12M10-V12 PolarHBondContact O-N 3.25Å
11P58.4Low53.3Low120 Ų120151.9 Ų151.978%0.77981%0.811SS**  trans-71.3128.5169.131.1-30.4000109.1D13P11-D13 PolarHBondContact O-N 3.22Å
12V61.3Low53.5Low139 Ų139146 Ų14684%0.84279%0.794SS**  trans-79.8101174.5-175.70000108.1M10 G14M10-V12 PolarHBondContact O-N 3.25Å; V12-G14 PolarHBondContact O-N 2.94Å
13D45.5Very low53.4Low165 Ų165141.9 Ų141.988%0.88279%0.792SS**  trans-61.1117.8162-86-36.7000108.7P11P11-D13 PolarHBondContact O-N 3.22Å
14G51.3Low53.4Low68 Ų68139.3 Ų139.370%0.70178%0.778SS**  trans-143.595.4-170.100000112.9V12V12-G14 PolarHBondContact O-N 2.94Å
15C54.8Low53.2Low116 Ų116135.6 Ų135.678%0.78477%0.774SS**  trans80.383.8155-146.50000117.3K17C15-K17 PolarHBondContact O-N 3.46Å; C15-K17 VanDerWaalsContact O-N 3.1Å
16E44Very low53Low200 Ų200130.9 Ų130.994%0.93576%0.763SS**  trans-64.2101.8157.2-64.2-147.4126.300110.2S18E16-S18 PolarHBondContact O-N 3.35Å; E16-S18 VanDerWaalsContact O-N 3.14Å
17K53.7Low53.3Low179 Ų179126.8 Ų126.878%0.77875%0.752SS**  trans-74.197.5164-87.4178.1176.31760109C15 S19C15-K17 PolarHBondContact O-N 3.46Å; C15-K17 VanDerWaalsContact O-N 3.1Å; K17-S19 PolarHBondContact O-N 3.42Å
18S49.4Very low53.2Low117 Ų117127.4 Ų127.482%0.81875%0.751SS**  trans-52.696.7161.6-174.10000109.9E16E16-S18 PolarHBondContact O-N 3.35Å; E16-S18 VanDerWaalsContact O-N 3.14Å
19S58.7Low54Low102 Ų102126.9 Ų126.971%0.71375%0.751SS**  trans-113.7107.1170-55.90000107.3K17K17-S19 PolarHBondContact O-N 3.42Å
20R58.8Low54.8Low226 Ų226125.3 Ų125.385%0.85374%0.744SS**  trans-55134.1178-60.8173.4177.7-165.7-2.7110.2S22R20-S22 PolarHBondContact O-N 2.93Å
21P49.8Very low55.8Low124 Ų124120.8 Ų120.881%0.80573%0.732SS**  trans-81.7110.7170.332.3-27.3000107.9
22S52.3Low57Low114 Ų114121.5 Ų121.580%0.79773%0.725SS**  trans-133.7114165.1-87.30000108.4R20R20-S22 PolarHBondContact O-N 2.93Å
23A53.1Low58.2Low103 Ų103119.2 Ų119.285%0.85171%0.705SS**  trans60.773.1170.300000115.8
24D47.8Very low60.3Low103 Ų103114.8 Ų114.855%0.55168%0.681SS**  trans-94.894.7-174.8-162.75.1000112.2V27D24-V27 WeakPolarHBondContact OD1-CB 3.29Å; D24-V27 WeakPolarHBondContact OD1-CG2 3.31Å
25T58.4Low62.4Low135 Ų135115.6 Ų115.683%0.82867%0.667SS**SBendtrans-142.8-12.5160.3-44.60000112.4
26G53Low64.3Low57 Ų57113.6 Ų113.659%0.58865%0.646SS**SBendtrans-97.2-11.2175.900000115.6
27V56.3Low66.7Low95 Ų95108.9 Ų108.958%0.57662%0.622SS**Hα-helixtrans-84-29.8-168-1530000112.1D24 A29 H30 G31D24-V27 WeakPolarHBondContact OD1-CB 3.29Å; D24-V27 WeakPolarHBondContact OD1-CG2 3.31Å; V27-A29 PolarHBondContact O-N 3.28Å; V27-H30 PolarHBondContact O-N 2.94Å; V27-G31 PolarHBondContact O-N 3.31Å
28I59.1Low68.8Low130 Ų130107.3 Ų107.367%0.66761%0.611SS**Hα-helixtrans-66.2-37-179.5-58-167000112.1H30 G31 H32I28-H30 PolarHBondContact O-N 2.68Å; I28-G31 PolarHBondContact O-N 3.23Å; I28-H32 PolarHBondContact O-N 3.34Å; I28-H32 VanDerWaalsContact O-N 3.14Å
29A62.1Low71Confident70 Ų70104.5 Ų104.558%0.57959%0.589SS**Hα-helixtrans-67.5-36179.600000112.6V27 H33V27-A29 PolarHBondContact O-N 3.28Å; A29-H33 PolarHBondContact O-N 3.2Å
30H65.7Low72.9Confident130 Ų130107 Ų10760%0.60258%0.583SS**Hα-helixtrans-68.1-40.8175.8-11555.7000111.7V27 I28 H32 H33 D34V27-H30 PolarHBondContact O-N 2.94Å; I28-H30 PolarHBondContact O-N 2.68Å; H30-H32 PolarHBondContact O-N 3.01Å; H30-H33 PolarHBondContact O-N 3.39Å; H30-D34 PolarHBondContact O-N 2.85Å
31G78.1Confident74.7Confident43 Ų43104.8 Ų104.844%0.44358%0.575SS.*Hα-helixtrans-61.2-40.317600000113.4V27 I28 D34 Q35V27-G31 PolarHBondContact O-N 3.31Å; I28-G31 PolarHBondContact O-N 3.23Å; G31-D34 PolarHBondContact O-N 2.92Å; G31-Q35 WeakPolarHBondContact O-CB 3.45Å; G31-Q35 PolarHBondContact O-N 2.95Å
32H82.7Confident77Confident135 Ų135104 Ų10463%0.62556%0.56SS**Hα-helixtrans-65.1-45.1177.5-173.2-88.3000112.1I28 H30 D34 Q35 E36I28-H32 PolarHBondContact O-N 3.34Å; I28-H32 VanDerWaalsContact O-N 3.14Å; H30-H32 PolarHBondContact O-N 3.01Å; H32-D34 VanDerWaalsContact C-N 3.33Å; H32-D34 PolarHBondContact O-N 3.36Å; H32-Q35 PolarHBondContact O-N 3.41Å; H32-E36 WeakPolarHBondContact O-CB 3.17Å; H32-E36 PolarHBondContact O-N 3.22Å
33H86.5Confident79.2Confident92 Ų92103.8 Ų103.843%0.42655%0.549SS..Hα-helixtrans-65.2-37.1178-177.5-120000112A29 H30 E36 K37A29-H33 PolarHBondContact O-N 3.2Å; H30-H33 PolarHBondContact O-N 3.39Å; H33-E36 PolarHBondContact O-N 3.33Å; H33-K37 WeakPolarHBondContact CE1-CE 3.32Å; H33-K37 PolarHBondContact CE1-NZ 3.06Å; H33-K37 WeakPolarHBondContact ND1-CE 3.29Å; H33-K37 PolarHBondContact ND1-NZ 2.96Å; H33-K37 VanDerWaalsContact O-CG 3.32Å; H33-K37 WeakPolarHBondContact O-CG 3.34Å; H33-K37 PolarHBondContact O-N 2.9Å
34D91.4Very high81.4Confident72 Ų72101.6 Ų101.639%0.38553%0.531SS..Hα-helixtrans-71.7-34.8175.9-69.7-25.9000112.7H30 G31 H32 K37 R38H30-D34 PolarHBondContact O-N 2.85Å; G31-D34 PolarHBondContact O-N 2.92Å; H32-D34 VanDerWaalsContact C-N 3.33Å; H32-D34 PolarHBondContact O-N 3.36Å; D34-K37 IonicContact OD1-NZ 3.37Å; D34-K37 PolarHBondContact OD1-NZ 3.14Å; D34-R38 WeakPolarHBondContact O-CB 3.32Å; D34-R38 PolarHBondContact O-N 3.04Å
35Q94.3Very high83.8Confident85 Ų85100.6 Ų100.640%0.39753%0.526SS..Hα-helixtrans-65.3-41.8170.7-177.458.231.300111.3G31 H32 R38 V39G31-Q35 WeakPolarHBondContact O-CB 3.45Å; G31-Q35 PolarHBondContact O-N 2.95Å; H32-Q35 PolarHBondContact O-N 3.41Å; Q35-R38 WeakPolarHBondContact O-CB 3.49Å; Q35-R38 PolarHBondContact O-N 2.79Å; Q35-V39 WeakPolarHBondContact O-CG2 3.42Å; Q35-V39 PolarHBondContact O-N 2.97Å
36E95.3Very high85.7Confident74 Ų7497.4 Ų97.435%0.34651%0.509SS..Hα-helixtrans-63.1-44.6176.1-173179.6-175.500111.7H32 H33 R38 V39 R40H32-E36 WeakPolarHBondContact O-CB 3.17Å; H32-E36 PolarHBondContact O-N 3.22Å; H33-E36 PolarHBondContact O-N 3.33Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 2.77Å; E36-V39 PolarHBondContact O-N 3.44Å; E36-R40 WeakPolarHBondContact O-CG 3.43Å; E36-R40 PolarHBondContact O-N 3.44Å; E36-R40 IonicContact OE1-CZ 3.79Å; E36-R40 IonicContact OE1-NE 3.96Å; E36-R40 PolarHBondContact OE1-NE 3.04Å; E36-R40 IonicContact OE1-NH2 3.32Å; E36-R40 PolarHBondContact OE1-NH2 2.74Å; E36-R40 IonicContact OE2-NH2 2.87Å
37K94.9Very high87.9Confident101 Ų10199.6 Ų99.644%0.43951%0.507SS..Hα-helixtrans-57.1-42.5172.1-73.4173.3-166.8155.50111.7H33 D34 R40 R41H33-K37 WeakPolarHBondContact CE1-CE 3.32Å; H33-K37 PolarHBondContact CE1-NZ 3.06Å; H33-K37 WeakPolarHBondContact ND1-CE 3.29Å; H33-K37 PolarHBondContact ND1-NZ 2.96Å; H33-K37 VanDerWaalsContact O-CG 3.32Å; H33-K37 WeakPolarHBondContact O-CG 3.34Å; H33-K37 PolarHBondContact O-N 2.9Å; D34-K37 IonicContact OD1-NZ 3.37Å; D34-K37 PolarHBondContact OD1-NZ 3.14Å; K37-R40 PolarHBondContact O-N 2.87Å; K37-R41 WeakPolarHBondContact O-CB 3.19Å; K37-R41 PolarHBondContact O-N 3.14Å
38R96.2Very high89.9Confident145 Ų14599.1 Ų99.155%0.54750%0.499SS..Hα-helixtrans-61.2-48.7177.4-178.6-176.5-66.3157.8-6.7110.9D34 Q35 E36 R40 R41 E42D34-R38 WeakPolarHBondContact O-CB 3.32Å; D34-R38 PolarHBondContact O-N 3.04Å; Q35-R38 WeakPolarHBondContact O-CB 3.49Å; Q35-R38 PolarHBondContact O-N 2.79Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 2.77Å; R38-R40 PolarHBondContact O-N 3.01Å; R38-R41 WeakPolarHBondContact O-CB 3.42Å; R38-R41 PolarHBondContact O-N 2.92Å; R38-R41 VanDerWaalsContact O-N 3.16Å; R38-E42 WeakPolarHBondContact CG-OE1 3.36Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 3.1Å
39V97.1Very high91.8Very high59 Ų59102 Ų10236%0.35850%0.501SS..Hα-helixtrans-60.1-46177.2171.90000111.2Q35 E36 R41 E42 I43Q35-V39 WeakPolarHBondContact O-CG2 3.42Å; Q35-V39 PolarHBondContact O-N 2.97Å; E36-V39 PolarHBondContact O-N 3.44Å; V39-R41 VanDerWaalsContact C-N 3.29Å; V39-R41 PolarHBondContact O-N 2.95Å; V39-E42 PolarHBondContact O-N 3.44Å; V39-I43 HydrophobicContact CG1-CD1 3.83Å; V39-I43 HydrophobicContact CG1-CG1 4.43Å; V39-I43 WeakPolarHBondContact O-CG1 3.34Å; V39-I43 PolarHBondContact O-N 3.22Å
40R97.4Very high93.5Very high155 Ų155106.9 Ų106.959%0.58550%0.504SS*.Hα-helixtrans-59.1-40.5176.3-70.5178-173.6-176.51.9111.8E36 K37 R38 A44E36-R40 WeakPolarHBondContact O-CG 3.43Å; E36-R40 PolarHBondContact O-N 3.44Å; E36-R40 IonicContact OE1-CZ 3.79Å; E36-R40 IonicContact OE1-NE 3.96Å; E36-R40 PolarHBondContact OE1-NE 3.04Å; E36-R40 IonicContact OE1-NH2 3.32Å; E36-R40 PolarHBondContact OE1-NH2 2.74Å; E36-R40 IonicContact OE2-NH2 2.87Å; K37-R40 PolarHBondContact O-N 2.87Å; R38-R40 PolarHBondContact O-N 3.01Å; R40-A44 WeakPolarHBondContact O-CB 3.47Å; R40-A44 PolarHBondContact O-N 3.34Å
41R97.7Very high95.1Very high179 Ų179107 Ų10768%0.67550%0.499SS*.Hα-helixtrans-65.4-42.4175.2-175.9-178.6177.7-166.6-2112K37 R38 V39 A44 N45K37-R41 WeakPolarHBondContact O-CB 3.19Å; K37-R41 PolarHBondContact O-N 3.14Å; R38-R41 WeakPolarHBondContact O-CB 3.42Å; R38-R41 PolarHBondContact O-N 2.92Å; R38-R41 VanDerWaalsContact O-N 3.16Å; V39-R41 VanDerWaalsContact C-N 3.29Å; V39-R41 PolarHBondContact O-N 2.95Å; R41-A44 PolarHBondContact O-N 3.42Å; R41-N45 WeakPolarHBondContact O-CB 3.33Å; R41-N45 PolarHBondContact O-N 3.4Å; R41-N45 PolarHBondContact O-ND2 2.85Å
42E98.4Very high96.1Very high106 Ų106108.2 Ų108.250%0.49550%0.495SS..Hα-helixtrans-63.3-42.9177.3-74.5171-17000112R38 V39 N45 S46R38-E42 WeakPolarHBondContact CG-OE1 3.36Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 3.1Å; V39-E42 PolarHBondContact O-N 3.44Å; E42-N45 PolarHBondContact O-N 3.01Å; E42-S46 WeakPolarHBondContact O-CB 3.33Å; E42-S46 PolarHBondContact O-N 3.2Å
43I97.8Very high96.9Very high110 Ų110108 Ų10856%0.56449%0.494SS*.Hα-helixtrans-60.8-46.9174.4-66.8166.7000110.5V39 N45 S46 N47V39-I43 HydrophobicContact CG1-CD1 3.83Å; V39-I43 HydrophobicContact CG1-CG1 4.43Å; V39-I43 WeakPolarHBondContact O-CG1 3.34Å; V39-I43 PolarHBondContact O-N 3.22Å; I43-N45 PolarHBondContact O-N 3.46Å; I43-S46 PolarHBondContact O-N 2.94Å; I43-N47 PolarHBondContact O-N 3Å
44A98.3Very high97.4Very high57 Ų57107.8 Ų107.847%0.47150%0.503SS..Hα-helixtrans-60.4-44.7177.700000112.2R40 R41 S46 N47 E48R40-A44 WeakPolarHBondContact O-CB 3.47Å; R40-A44 PolarHBondContact O-N 3.34Å; R41-A44 PolarHBondContact O-N 3.42Å; A44-S46 PolarHBondContact O-N 3.21Å; A44-N47 WeakPolarHBondContact O-CB 3.28Å; A44-N47 PolarHBondContact O-N 3.13Å; A44-E48 PolarHBondContact O-N 3.38Å
45N98.8Very high97.8Very high83 Ų83107 Ų10744%0.44450%0.498SS..Hα-helixtrans-62.8-42.2176.4-71-17000112.3R41 E42 I43 N47 E48 R49R41-N45 WeakPolarHBondContact O-CB 3.33Å; R41-N45 PolarHBondContact O-N 3.4Å; R41-N45 PolarHBondContact O-ND2 2.85Å; E42-N45 PolarHBondContact O-N 3.01Å; I43-N45 PolarHBondContact O-N 3.46Å; N45-N47 VanDerWaalsContact C-N 3.31Å; N45-N47 PolarHBondContact O-N 2.85Å; N45-E48 PolarHBondContact O-N 3.44Å; N45-R49 WeakPolarHBondContact O-CG 3.39Å; N45-R49 PolarHBondContact O-N 3.45Å
46S98.7Very high97.9Very high67 Ų67106 Ų10647%0.46950%0.495SS..Hα-helixtrans-61.6-40.9176.4-175.70000111.5E42 I43 A44 R49 R50E42-S46 WeakPolarHBondContact O-CB 3.33Å; E42-S46 PolarHBondContact O-N 3.2Å; I43-S46 PolarHBondContact O-N 2.94Å; A44-S46 PolarHBondContact O-N 3.21Å; S46-R49 PolarHBondContact O-N 2.94Å; S46-R50 PolarHBondContact O-N 3.49Å; S46-R50 VanDerWaalsContact O-N 3.07Å
47N98.8Very high98Very high104 Ų104105 Ų10556%0.55650%0.499SS*.Hα-helixtrans-62.8-47.6174.8-168-22000111.7I43 A44 N45 R49 R50 R51I43-N47 PolarHBondContact O-N 3Å; A44-N47 WeakPolarHBondContact O-CB 3.28Å; A44-N47 PolarHBondContact O-N 3.13Å; N45-N47 VanDerWaalsContact C-N 3.31Å; N45-N47 PolarHBondContact O-N 2.85Å; N47-R49 VanDerWaalsContact C-N 3.32Å; N47-R49 PolarHBondContact O-N 2.95Å; N47-R50 WeakPolarHBondContact O-CB 3.35Å; N47-R50 PolarHBondContact O-N 3.29Å; N47-R50 VanDerWaalsContact O-N 3.12Å; N47-R51 PolarHBondContact O-N 3.41Å
48E98.8Very high98.2Very high85 Ų85101.8 Ų101.840%0.39750%0.495SS..Hα-helixtrans-63.5-37.4178.6-173.656.5-153.100112.3A44 N45 R50 R51 M52A44-E48 PolarHBondContact O-N 3.38Å; N45-E48 PolarHBondContact O-N 3.44Å; E48-R50 PolarHBondContact O-N 2.91Å; E48-R51 PolarHBondContact O-N 2.91Å; E48-R51 IonicContact OE1-NH1 2.64Å; E48-R51 PolarHBondContact OE1-NH1 3.22Å; E48-R51 WeakPolarHBondContact OE2-CD 3.43Å; E48-R51 IonicContact OE2-NH1 2.95Å; E48-M52 WeakPolarHBondContact O-CB 3.35Å; E48-M52 PolarHBondContact O-N 2.74Å; E48-M52 WeakPolarHBondContact OE1-CE 3.42Å
49R98.8Very high98.2Very high189 Ų18996.6 Ų96.671%0.71348%0.476SS*.Hα-helixtrans-59.1-46.3172.6-75.3179.9-180-1750.7111.4N45 S46 N47 M52 Q53N45-R49 WeakPolarHBondContact O-CG 3.39Å; N45-R49 PolarHBondContact O-N 3.45Å; S46-R49 PolarHBondContact O-N 2.94Å; N47-R49 VanDerWaalsContact C-N 3.32Å; N47-R49 PolarHBondContact O-N 2.95Å; R49-M52 PolarHBondContact O-N 2.8Å; R49-Q53 VanDerWaalsContact O-CG 3.31Å; R49-Q53 WeakPolarHBondContact O-CG 3.36Å; R49-Q53 PolarHBondContact O-N 2.9Å
50R98.7Very high98.1Very high173 Ų17398.6 Ų98.665%0.65349%0.485SS*.Hα-helixtrans-62.3-43.5176.7-174-173.8-60.9-98.7-1.4111.8S46 N47 E48 M52 Q53 S54S46-R50 PolarHBondContact O-N 3.49Å; S46-R50 VanDerWaalsContact O-N 3.07Å; N47-R50 WeakPolarHBondContact O-CB 3.35Å; N47-R50 PolarHBondContact O-N 3.29Å; N47-R50 VanDerWaalsContact O-N 3.12Å; E48-R50 PolarHBondContact O-N 2.91Å; R50-M52 VanDerWaalsContact C-N 3.34Å; R50-M52 PolarHBondContact O-N 2.99Å; R50-Q53 PolarHBondContact O-N 2.81Å; R50-S54 PolarHBondContact O-N 3.39Å
51R98.7Very high98Very high132 Ų13294.5 Ų94.550%0.49848%0.48SS..Hα-helixtrans-58-47.6174.6179.4178.3173.2-89.2-4.5110.8N47 E48 Q53 S54 I55N47-R51 PolarHBondContact O-N 3.41Å; E48-R51 PolarHBondContact O-N 2.91Å; E48-R51 IonicContact OE1-NH1 2.64Å; E48-R51 PolarHBondContact OE1-NH1 3.22Å; E48-R51 WeakPolarHBondContact OE2-CD 3.43Å; E48-R51 IonicContact OE2-NH1 2.95Å; R51-Q53 PolarHBondContact O-N 2.86Å; R51-S54 WeakPolarHBondContact O-CB 3.3Å; R51-S54 PolarHBondContact O-N 3.21Å; R51-I55 HydrophobicContact CG-CD1 4.15Å; R51-I55 WeakPolarHBondContact O-CG1 3.44Å; R51-I55 PolarHBondContact O-N 2.87Å
52M98.8Very high97.9Very high70 Ų7089 Ų8935%0.34546%0.464SS..Hα-helixtrans-68.1-34.8-179.2-154.758.555.600112.6E48 R49 R50 I55 N56E48-M52 WeakPolarHBondContact O-CB 3.35Å; E48-M52 PolarHBondContact O-N 2.74Å; E48-M52 WeakPolarHBondContact OE1-CE 3.42Å; R49-M52 PolarHBondContact O-N 2.8Å; R50-M52 VanDerWaalsContact C-N 3.34Å; R50-M52 PolarHBondContact O-N 2.99Å; M52-I55 HydrophobicContact CE-CD1 4.47Å; M52-I55 PolarHBondContact O-N 3.03Å; M52-I55 HydrophobicContact SD-CD1 4.23Å; M52-N56 WeakPolarHBondContact O-CB 3.33Å; M52-N56 PolarHBondContact O-N 2.78Å; M52-N56 PolarHBondContact O-ND2 3.09Å; M52-N56 PolarHBondContact O-OD1 3.49Å
53Q98.6Very high97.7Very high131 Ų13186.4 Ų86.461%0.61245%0.45SS*.Hα-helixtrans-61.6-45171.7-76.6172.5-18.200112R49 R50 R51 I55 N56 A57R49-Q53 VanDerWaalsContact O-CG 3.31Å; R49-Q53 WeakPolarHBondContact O-CG 3.36Å; R49-Q53 PolarHBondContact O-N 2.9Å; R50-Q53 PolarHBondContact O-N 2.81Å; R51-Q53 PolarHBondContact O-N 2.86Å; Q53-I55 PolarHBondContact O-N 3.5Å; Q53-N56 PolarHBondContact O-N 3.25Å; Q53-A57 PolarHBondContact O-N 2.91Å
54S98.6Very high97.5Very high87 Ų8787.7 Ų87.761%0.60846%0.456SS*.Hα-helixtrans-60.6-44.8175.4179.30000111.7R50 R51 N56 A57 G58R50-S54 PolarHBondContact O-N 3.39Å; R51-S54 WeakPolarHBondContact O-CB 3.3Å; R51-S54 PolarHBondContact O-N 3.21Å; S54-N56 PolarHBondContact O-N 3.48Å; S54-A57 PolarHBondContact O-N 3.23Å; S54-G58 PolarHBondContact O-N 3.01Å
55I98.3Very high97.3Very high56 Ų5690.7 Ų90.729%0.28746%0.464SS..Hα-helixtrans-59.9-46.1174.9-67.3168.7000110.7R51 M52 Q53 G58 F59R51-I55 HydrophobicContact CG-CD1 4.15Å; R51-I55 WeakPolarHBondContact O-CG1 3.44Å; R51-I55 PolarHBondContact O-N 2.87Å; M52-I55 HydrophobicContact CE-CD1 4.47Å; M52-I55 PolarHBondContact O-N 3.03Å; M52-I55 HydrophobicContact SD-CD1 4.23Å; Q53-I55 PolarHBondContact O-N 3.5Å; I55-G58 WeakPolarHBondContact O-CA 3.47Å; I55-G58 PolarHBondContact O-N 3.29Å; I55-G58 VanDerWaalsContact O-N 3.16Å; I55-F59 HydrophobicContact CG2-CD2 3.93Å; I55-F59 HydrophobicContact CG2-CE2 3.73Å; I55-F59 WeakPolarHBondContact O-CD2 3.49Å; I55-F59 PolarHBondContact O-N 2.82Å
56N97.9Very high97Very high64 Ų6487.6 Ų87.634%0.34245%0.447SS..Hα-helixtrans-63.3-42179.6-70.1-15.8000112M52 Q53 S54 G58 F59 D60 K77M52-N56 WeakPolarHBondContact O-CB 3.33Å; M52-N56 PolarHBondContact O-N 2.78Å; M52-N56 PolarHBondContact O-ND2 3.09Å; M52-N56 PolarHBondContact O-OD1 3.49Å; Q53-N56 PolarHBondContact O-N 3.25Å; S54-N56 PolarHBondContact O-N 3.48Å; N56-G58 VanDerWaalsContact C-N 3.25Å; N56-G58 PolarHBondContact O-N 3.34Å; N56-F59 WeakPolarHBondContact O-CA 3.31Å; N56-F59 WeakPolarHBondContact O-CB 3.42Å; N56-F59 PolarHBondContact O-N 3.29Å; N56-D60 PolarHBondContact O-N 3.46Å; N56-K77 WeakPolarHBondContact OD1-CE 3.2Å; N56-K77 PolarHBondContact OD1-NZ 3.06Å
57A97.7Very high96.6Very high51 Ų5187.6 Ų87.642%0.42145%0.445SS..Hα-helixtrans-60.3-35.9173.700000112.3Q53 S54 D60 S61Q53-A57 PolarHBondContact O-N 2.91Å; S54-A57 PolarHBondContact O-N 3.23Å; A57-D60 PolarHBondContact O-N 2.94Å; A57-S61 PolarHBondContact O-N 3.03Å; A57-S61 PolarHBondContact O-OG 2.96Å; A57-S61 VanDerWaalsContact O-OG 3.11Å
58G97.8Very high95.1Very high34 Ų3488.4 Ų88.435%0.35146%0.459SS..Hα-helixtrans-63-40171.500000113.2S54 I55 N56 S61 L62S54-G58 PolarHBondContact O-N 3.01Å; I55-G58 WeakPolarHBondContact O-CA 3.47Å; I55-G58 PolarHBondContact O-N 3.29Å; I55-G58 VanDerWaalsContact O-N 3.16Å; N56-G58 VanDerWaalsContact C-N 3.25Å; N56-G58 PolarHBondContact O-N 3.34Å; G58-S61 PolarHBondContact O-N 3.08Å; G58-L62 WeakPolarHBondContact O-CG 3.26Å; G58-L62 PolarHBondContact O-N 3.31Å
59F97.4Very high93.6Very high36 Ų3686.1 Ų86.116%0.15845%0.449CS..Hα-helixtrans-63.9-40173-85-81.4000112.3I55 N56 L62 R63 K77 I80 L81I55-F59 HydrophobicContact CG2-CD2 3.93Å; I55-F59 HydrophobicContact CG2-CE2 3.73Å; I55-F59 WeakPolarHBondContact O-CD2 3.49Å; I55-F59 PolarHBondContact O-N 2.82Å; N56-F59 WeakPolarHBondContact O-CA 3.31Å; N56-F59 WeakPolarHBondContact O-CB 3.42Å; N56-F59 PolarHBondContact O-N 3.29Å; F59-L62 PolarHBondContact O-N 3.39Å; F59-R63 VanDerWaalsContact O-CB 3.31Å; F59-R63 WeakPolarHBondContact O-CB 3.29Å; F59-R63 PolarHBondContact O-N 3.37Å; F59-K77 HydrophobicContact CD1-CB 4.2Å; F59-K77 HydrophobicContact CD1-CG 4.01Å; F59-K77 HydrophobicContact CD2-CD 4.18Å; F59-K77 HydrophobicContact CD2-CG 4.36Å; F59-K77 HydrophobicContact CE1-CB 3.64Å; F59-K77 HydrophobicContact CE1-CD 4.29Å; F59-K77 HydrophobicContact CE1-CG 3.83Å; F59-K77 HydrophobicContact CE2-CD 3.82Å; F59-K77 HydrophobicContact CE2-CG 4.21Å; F59-K77 HydrophobicContact CG-CG 4.28Å; F59-K77 HydrophobicContact CZ-CB 3.91Å; F59-K77 HydrophobicContact CZ-CD 3.88Å; F59-K77 HydrophobicContact CZ-CG 3.95Å; F59-I80 HydrophobicContact CB-CD1 4.37Å; F59-I80 HydrophobicContact CD1-CB 4.27Å; F59-I80 HydrophobicContact CD1-CD1 3.99Å; F59-I80 HydrophobicContact CD1-CG2 4.13Å; F59-L81 HydrophobicContact CE1-CD1 4.45Å; F59-L81 HydrophobicContact CE1-CD2 4.21Å; F59-L81 HydrophobicContact CE1-CG 4.09Å
60D94.4Very high91.9Very high101 Ų10180.6 Ų80.654%0.5444%0.44SS..Hα-helixtrans-64.8-41.3176.7-67.3-31.6000111.3N56 A57 R63 I64N56-D60 PolarHBondContact O-N 3.46Å; A57-D60 PolarHBondContact O-N 2.94Å; D60-R63 WeakPolarHBondContact O-CB 3.46Å; D60-R63 PolarHBondContact O-N 2.9Å; D60-I64 PolarHBondContact O-N 3.41Å
61S95.1Very high90.4Very high69 Ų6980.9 Ų80.948%0.48345%0.454SS..Hα-helixtrans-65.4-38174.8-62.50000112.8A57 G58 I64 L65A57-S61 PolarHBondContact O-N 3.03Å; A57-S61 PolarHBondContact O-OG 2.96Å; A57-S61 VanDerWaalsContact O-OG 3.11Å; G58-S61 PolarHBondContact O-N 3.08Å; S61-I64 WeakPolarHBondContact O-CG1 3.37Å; S61-L65 WeakPolarHBondContact O-CG 3.33Å
62L95.7Very high89.1Confident65 Ų6577.8 Ų77.834%0.3446%0.464SS..Hα-helixtrans-66.3-40.1173.5-78.2168000111.6G58 F59 I64 L65 I80 T84G58-L62 WeakPolarHBondContact O-CG 3.26Å; G58-L62 PolarHBondContact O-N 3.31Å; F59-L62 PolarHBondContact O-N 3.39Å; L62-I64 PolarHBondContact O-N 3.31Å; L62-L65 PolarHBondContact O-N 3.09Å; L62-I80 HydrophobicContact CB-CG2 3.95Å; L62-T84 HydrophobicContact CD2-CG2 4.39Å
63R94.1Very high88.2Confident50 Ų5079.7 Ų79.719%0.18947%0.472CS..Hα-helixtrans-60-43.3-179157.8174.1-176.899.514.1112.5F59 D60 L65 L66 E73 M75 I80F59-R63 VanDerWaalsContact O-CB 3.31Å; F59-R63 WeakPolarHBondContact O-CB 3.29Å; F59-R63 PolarHBondContact O-N 3.37Å; D60-R63 WeakPolarHBondContact O-CB 3.46Å; D60-R63 PolarHBondContact O-N 2.9Å; R63-L65 PolarHBondContact O-N 2.8Å; R63-L66 PolarHBondContact O-N 3.11Å; R63-E73 PolarHBondContact NH1-O 2.99Å; R63-E73 PolarHBondContact NH2-O 3.28Å; R63-M75 HydrophobicContact CB-CE 3.88Å; R63-M75 HydrophobicContact CG-CE 3.43Å; R63-M75 VanDerWaalsContact CG-CE 3.43Å; R63-M75 VanDerWaalsContact NH1-CE 3.27Å; R63-M75 VanDerWaalsContact NH1-CG 3.29Å; R63-M75 VanDerWaalsContact NH1-N 3.1Å; R63-I80 HydrophobicContact CB-CD1 4.16Å; R63-I80 HydrophobicContact CB-CG1 4.49Å
64I92.5Very high87.8Confident137 Ų13783 Ų8370%0.70348%0.484SS*.Hα-helixtrans-68-19.4-179.159.7166.6000113.5D60 S61 L62D60-I64 PolarHBondContact O-N 3.41Å; S61-I64 WeakPolarHBondContact O-CG1 3.37Å; L62-I64 PolarHBondContact O-N 3.31Å
65L94.1Very high87.4Confident121 Ų12180.4 Ų80.463%0.63446%0.463SS*.THydrogen-bonded Turntrans-84.7-10.9178.8-63.1174.4000113S61 L62 R63S61-L65 WeakPolarHBondContact O-CG 3.33Å; L62-L65 PolarHBondContact O-N 3.09Å; R63-L65 PolarHBondContact O-N 2.8Å
66L93.9Very high87.2Confident17 Ų1780.7 Ų80.79%0.08947%0.47CS..SBendtrans-79.9135-178.5-66.8176.9000110.8R63 S68 I69 M75 I80 L83R63-L66 PolarHBondContact O-N 3.11Å; L66-S68 PolarHBondContact O-N 2.73Å; L66-I69 HydrophobicContact CB-CD1 4.01Å; L66-I69 HydrophobicContact CD1-CD1 4.27Å; L66-M75 HydrophobicContact CD1-CE 4.03Å; L66-M75 HydrophobicContact CD1-SD 4.29Å; L66-I80 HydrophobicContact CD1-CG2 4.41Å; L66-L83 HydrophobicContact CD1-CB 3.73Å; L66-L83 HydrophobicContact CD1-CD1 4.28Å; L66-L83 HydrophobicContact CD2-CB 4.11Å
67P89Confident87.2Confident67 Ų6782.1 Ų82.144%0.43547%0.473SS..SBendtrans-60.8123.9178.1-22.231.6000112.7I69 Y87P67-I69 PolarHBondContact O-N 2.9Å; P67-Y87 HydrophobicContact CG-CD1 4.41Å; P67-Y87 HydrophobicContact CG-CD2 3.47Å; P67-Y87 VanDerWaalsContact CG-CD2 3.47Å; P67-Y87 HydrophobicContact CG-CE1 4.2Å; P67-Y87 HydrophobicContact CG-CE2 3.24Å; P67-Y87 HydrophobicContact CG-CG 4.07Å
68S67.6Low87.2Confident121 Ų12182.3 Ų82.385%0.84647%0.474SS*.  trans43.665.7160.661.30000116.1L66L66-S68 PolarHBondContact O-N 2.73Å
69I68.1Low87Confident37 Ų3783.1 Ų83.119%0.1947%0.473CS..  trans-106.3122.2158.1-63.7148.7000104.2L66 P67 D71 E73 M75 L83L66-I69 HydrophobicContact CB-CD1 4.01Å; L66-I69 HydrophobicContact CD1-CD1 4.27Å; P67-I69 PolarHBondContact O-N 2.9Å; I69-D71 PolarHBondContact O-N 3.29Å; I69-E73 HydrophobicContact CG2-CB 4.1Å; I69-E73 HydrophobicContact CG2-CG 4.45Å; I69-M75 HydrophobicContact CD1-CE 3.61Å; I69-M75 HydrophobicContact CD1-SD 3.37Å; I69-M75 WeakPolarHBondContact CD1-SD 3.04Å; I69-M75 HydrophobicContact CG1-SD 4.41Å; I69-M75 HydrophobicContact CG2-CE 4.46Å; I69-M75 HydrophobicContact CG2-CG 4.3Å; I69-M75 HydrophobicContact CG2-SD 4.39Å; I69-L83 HydrophobicContact CD1-CD1 3.5Å; I69-L83 HydrophobicContact CG1-CD1 4.5Å
70S62.9Low87Confident74 Ų7481.7 Ų81.752%0.51747%0.466SS..  trans-40.8131.6-172.560.80000111.8G72 E73S70-G72 PolarHBondContact O-N 3.44Å; S70-E73 PolarHBondContact O-N 3.15Å; S70-E73 VanDerWaalsContact OG-CB 3.29Å; S70-E73 WeakPolarHBondContact OG-CB 3.45Å; S70-E73 PolarHBondContact OG-OE2 3.33Å
71D66.8Low87.2Confident178 Ų17881.5 Ų81.595%0.95247%0.465SS*.THydrogen-bonded Turntrans-54.9105.7178.1-73.9-37.6000108.7I69I69-D71 PolarHBondContact O-N 3.29Å
72G72Confident87.2Confident68 Ų6884 Ų8470%0.70147%0.469SS*.THydrogen-bonded Turntrans116.2-13.2-179.300000116.8S70 K74S70-G72 PolarHBondContact O-N 3.44Å; G72-K74 PolarHBondContact O-N 2.97Å
73E80.7Confident87.2Confident109 Ų10983.4 Ų83.451%0.50947%0.466SS..  trans-74.8113.2-178.7178.6179.9-178.600112.2R63 I69 S70 M75R63-E73 PolarHBondContact NH1-O 2.99Å; R63-E73 PolarHBondContact NH2-O 3.28Å; I69-E73 HydrophobicContact CG2-CB 4.1Å; I69-E73 HydrophobicContact CG2-CG 4.45Å; S70-E73 PolarHBondContact O-N 3.15Å; S70-E73 VanDerWaalsContact OG-CB 3.29Å; S70-E73 WeakPolarHBondContact OG-CB 3.45Å; S70-E73 PolarHBondContact OG-OE2 3.33Å; E73-M75 PolarHBondContact O-N 3.39Å
74K88.4Confident87.4Confident201 Ų20182.3 Ų82.387%0.87447%0.465SS*.PPolyproline II helixtrans-59.9124.6179.7-67.7-179.4178175.10111.9G72G72-K74 PolarHBondContact O-N 2.97Å
75M90.8Very high87.7Confident33 Ų3378.2 Ų78.216%0.16345%0.452CS..PPolyproline II helixtrans-102.9144.5171.5-76.6-170.4-7900111.3R63 L66 I69 E73 T79 I80 L83R63-M75 HydrophobicContact CB-CE 3.88Å; R63-M75 HydrophobicContact CG-CE 3.43Å; R63-M75 VanDerWaalsContact CG-CE 3.43Å; R63-M75 VanDerWaalsContact NH1-CE 3.27Å; R63-M75 VanDerWaalsContact NH1-CG 3.29Å; R63-M75 VanDerWaalsContact NH1-N 3.1Å; L66-M75 HydrophobicContact CD1-CE 4.03Å; L66-M75 HydrophobicContact CD1-SD 4.29Å; I69-M75 HydrophobicContact CD1-CE 3.61Å; I69-M75 HydrophobicContact CD1-SD 3.37Å; I69-M75 WeakPolarHBondContact CD1-SD 3.04Å; I69-M75 HydrophobicContact CG1-SD 4.41Å; I69-M75 HydrophobicContact CG2-CE 4.46Å; I69-M75 HydrophobicContact CG2-CG 4.3Å; I69-M75 HydrophobicContact CG2-SD 4.39Å; E73-M75 PolarHBondContact O-N 3.39Å; M75-T79 HydrophobicContact CG-CG2 4.27Å; M75-T79 HydrophobicContact SD-CG2 4.17Å; M75-I80 HydrophobicContact CB-CD1 4.23Å; M75-I80 HydrophobicContact CB-CG1 3.8Å; M75-I80 HydrophobicContact CE-CG1 3.94Å; M75-I80 HydrophobicContact SD-CG1 4.01Å; M75-L83 HydrophobicContact SD-CD1 3.78Å
76S94.9Very high87.8Confident62 Ų6278.8 Ų78.843%0.43445%0.449SS..PPolyproline II helixtrans-71.6155.6168.385.10000110.9A78 T79 I80S76-A78 PolarHBondContact O-N 3.32Å; S76-A78 PolarHBondContact OG-N 3.17Å; S76-T79 WeakPolarHBondContact O-CB 3.43Å; S76-T79 PolarHBondContact O-N 3.5Å; S76-T79 VanDerWaalsContact O-N 3.15Å; S76-T79 WeakPolarHBondContact OG-CB 3.16Å; S76-T79 PolarHBondContact OG-N 2.91Å; S76-T79 PolarHBondContact OG-OG1 3.39Å; S76-I80 WeakPolarHBondContact O-CG1 3.35Å; S76-I80 PolarHBondContact O-N 3.11Å
77K96.8Very high88Confident94 Ų9482 Ų8241%0.40946%0.46SS..Hα-helixtrans-56.3-39.7173.5-69.6-172.9174.6-1700111.9N56 F59 I80 L81N56-K77 WeakPolarHBondContact OD1-CE 3.2Å; N56-K77 PolarHBondContact OD1-NZ 3.06Å; F59-K77 HydrophobicContact CD1-CB 4.2Å; F59-K77 HydrophobicContact CD1-CG 4.01Å; F59-K77 HydrophobicContact CD2-CD 4.18Å; F59-K77 HydrophobicContact CD2-CG 4.36Å; F59-K77 HydrophobicContact CE1-CB 3.64Å; F59-K77 HydrophobicContact CE1-CD 4.29Å; F59-K77 HydrophobicContact CE1-CG 3.83Å; F59-K77 HydrophobicContact CE2-CD 3.82Å; F59-K77 HydrophobicContact CE2-CG 4.21Å; F59-K77 HydrophobicContact CG-CG 4.28Å; F59-K77 HydrophobicContact CZ-CB 3.91Å; F59-K77 HydrophobicContact CZ-CD 3.88Å; F59-K77 HydrophobicContact CZ-CG 3.95Å; K77-I80 PolarHBondContact O-N 3.34Å; K77-L81 WeakPolarHBondContact O-CG 3.49Å; K77-L81 PolarHBondContact O-N 3.09Å
78A97.5Very high88.4Confident54 Ų5482.9 Ų82.945%0.44646%0.46SS..Hα-helixtrans-64.9-43.2177.400000111.8S76 L81 Q82S76-A78 PolarHBondContact O-N 3.32Å; S76-A78 PolarHBondContact OG-N 3.17Å; A78-L81 PolarHBondContact O-N 3.04Å; A78-Q82 WeakPolarHBondContact O-CG 3.43Å; A78-Q82 PolarHBondContact O-N 3.03Å
79T95.3Very high89.9Confident51 Ų5181.7 Ų81.731%0.31345%0.445SS..Hα-helixtrans-60.7-45.9177.1-53.30000111.3M75 S76 L81 Q82 L83M75-T79 HydrophobicContact CG-CG2 4.27Å; M75-T79 HydrophobicContact SD-CG2 4.17Å; S76-T79 WeakPolarHBondContact O-CB 3.43Å; S76-T79 PolarHBondContact O-N 3.5Å; S76-T79 VanDerWaalsContact O-N 3.15Å; S76-T79 WeakPolarHBondContact OG-CB 3.16Å; S76-T79 PolarHBondContact OG-N 2.91Å; S76-T79 PolarHBondContact OG-OG1 3.39Å; T79-L81 VanDerWaalsContact C-N 3.35Å; T79-L81 PolarHBondContact O-N 2.89Å; T79-Q82 PolarHBondContact O-N 3.5Å; T79-L83 HydrophobicContact CG2-CD1 3.78Å; T79-L83 HydrophobicContact CG2-CG 4.21Å; T79-L83 WeakPolarHBondContact O-CB 3.44Å; T79-L83 WeakPolarHBondContact O-CG 3.29Å; T79-L83 PolarHBondContact O-N 3.38Å
80I95.9Very high91.3Very high6 Ų684.2 Ų84.23%0.03146%0.462CS..Hα-helixtrans-55.9-51.7176.9-66.4168.1000109.7F59 L62 R63 L66 M75 S76 K77 Q82 L83 T84F59-I80 HydrophobicContact CB-CD1 4.37Å; F59-I80 HydrophobicContact CD1-CB 4.27Å; F59-I80 HydrophobicContact CD1-CD1 3.99Å; F59-I80 HydrophobicContact CD1-CG2 4.13Å; L62-I80 HydrophobicContact CB-CG2 3.95Å; R63-I80 HydrophobicContact CB-CD1 4.16Å; R63-I80 HydrophobicContact CB-CG1 4.49Å; L66-I80 HydrophobicContact CD1-CG2 4.41Å; M75-I80 HydrophobicContact CB-CD1 4.23Å; M75-I80 HydrophobicContact CB-CG1 3.8Å; M75-I80 HydrophobicContact CE-CG1 3.94Å; M75-I80 HydrophobicContact SD-CG1 4.01Å; S76-I80 WeakPolarHBondContact O-CG1 3.35Å; S76-I80 PolarHBondContact O-N 3.11Å; K77-I80 PolarHBondContact O-N 3.34Å; I80-Q82 PolarHBondContact O-N 3.02Å; I80-L83 PolarHBondContact O-N 3.4Å; I80-T84 WeakPolarHBondContact O-CB 3.45Å; I80-T84 PolarHBondContact O-N 3.45Å; I80-T84 PolarHBondContact O-OG1 3.31Å
81L98.2Very high93Very high97 Ų9784.5 Ų84.551%0.50846%0.457SS..Hα-helixtrans-60-43.8-179.6-65.8172.9000112.7F59 K77 A78 T79 A85F59-L81 HydrophobicContact CE1-CD1 4.45Å; F59-L81 HydrophobicContact CE1-CD2 4.21Å; F59-L81 HydrophobicContact CE1-CG 4.09Å; K77-L81 WeakPolarHBondContact O-CG 3.49Å; K77-L81 PolarHBondContact O-N 3.09Å; A78-L81 PolarHBondContact O-N 3.04Å; T79-L81 VanDerWaalsContact C-N 3.35Å; T79-L81 PolarHBondContact O-N 2.89Å; L81-A85 PolarHBondContact O-N 2.88Å
82Q96.9Very high94.5Very high122 Ų12280.7 Ų80.757%0.5744%0.436SS*.Hα-helixtrans-64.2-45.7178.5-73176.34.600112.2A78 T79 I80 A85 K86A78-Q82 WeakPolarHBondContact O-CG 3.43Å; A78-Q82 PolarHBondContact O-N 3.03Å; T79-Q82 PolarHBondContact O-N 3.5Å; I80-Q82 PolarHBondContact O-N 3.02Å; Q82-A85 PolarHBondContact O-N 3.39Å; Q82-K86 WeakPolarHBondContact O-CG 3.44Å; Q82-K86 PolarHBondContact O-N 3.32Å
83L95.6Very high95.8Very high53 Ų5383.2 Ų83.228%0.27743%0.431SS..Hα-helixtrans-67.2-38.9179-70.6177.3000111.6L66 I69 M75 T79 I80 A85 K86 Y87L66-L83 HydrophobicContact CD1-CB 3.73Å; L66-L83 HydrophobicContact CD1-CD1 4.28Å; L66-L83 HydrophobicContact CD2-CB 4.11Å; I69-L83 HydrophobicContact CD1-CD1 3.5Å; I69-L83 HydrophobicContact CG1-CD1 4.5Å; M75-L83 HydrophobicContact SD-CD1 3.78Å; T79-L83 HydrophobicContact CG2-CD1 3.78Å; T79-L83 HydrophobicContact CG2-CG 4.21Å; T79-L83 WeakPolarHBondContact O-CB 3.44Å; T79-L83 WeakPolarHBondContact O-CG 3.29Å; T79-L83 PolarHBondContact O-N 3.38Å; I80-L83 PolarHBondContact O-N 3.4Å; L83-A85 PolarHBondContact O-N 3.02Å; L83-K86 PolarHBondContact O-N 3.28Å; L83-Y87 VanDerWaalsContact O-CB 3.3Å; L83-Y87 WeakPolarHBondContact O-CB 3.44Å; L83-Y87 PolarHBondContact O-N 3.46Å
84T97.7Very high96.6Very high27 Ų2784.4 Ų84.417%0.16643%0.431CS..Hα-helixtrans-58.9-47.7173.4-59.10000111.1L62 I80 K86 Y87 I88L62-T84 HydrophobicContact CD2-CG2 4.39Å; I80-T84 WeakPolarHBondContact O-CB 3.45Å; I80-T84 PolarHBondContact O-N 3.45Å; I80-T84 PolarHBondContact O-OG1 3.31Å; T84-K86 PolarHBondContact O-N 2.92Å; T84-Y87 PolarHBondContact O-N 3.09Å; T84-I88 HydrophobicContact CG2-CD1 3.89Å; T84-I88 HydrophobicContact CG2-CG1 4.5Å; T84-I88 VanDerWaalsContact O-CG1 3.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.31Å; T84-I88 PolarHBondContact O-N 2.92Å
85A98.1Very high97.1Very high51 Ų5178.4 Ų78.442%0.42141%0.411SS..Hα-helixtrans-61.4-44.9177.800000112.2L81 Q82 L83 Y87 I88 N89L81-A85 PolarHBondContact O-N 2.88Å; Q82-A85 PolarHBondContact O-N 3.39Å; L83-A85 PolarHBondContact O-N 3.02Å; A85-Y87 PolarHBondContact O-N 3.19Å; A85-I88 PolarHBondContact O-N 3.47Å; A85-N89 PolarHBondContact O-N 3.27Å; A85-N89 VanDerWaalsContact O-N 3.09Å; A85-N89 PolarHBondContact O-ND2 3.31Å
86K97Very high97.4Very high132 Ų13280 Ų8057%0.57443%0.425SS*.Hα-helixtrans-59.6-46.4175-73.7177.7-179.9-179.20111.6Q82 L83 T84 N89 T90Q82-K86 WeakPolarHBondContact O-CG 3.44Å; Q82-K86 PolarHBondContact O-N 3.32Å; L83-K86 PolarHBondContact O-N 3.28Å; T84-K86 PolarHBondContact O-N 2.92Å; K86-N89 PolarHBondContact O-N 3.25Å; K86-T90 PolarHBondContact O-N 3.12Å; K86-T90 PolarHBondContact O-OG1 2.98Å; K86-T90 VanDerWaalsContact O-OG1 3.13Å
87Y97.7Very high97.6Very high85 Ų8581.8 Ų81.833%0.33343%0.43SS..Hα-helixtrans-64.1-44.2-178.4-176.8-131.3000111.9P67 L83 T84 A85 N89 T90 L91P67-Y87 HydrophobicContact CG-CD1 4.41Å; P67-Y87 HydrophobicContact CG-CD2 3.47Å; P67-Y87 VanDerWaalsContact CG-CD2 3.47Å; P67-Y87 HydrophobicContact CG-CE1 4.2Å; P67-Y87 HydrophobicContact CG-CE2 3.24Å; P67-Y87 HydrophobicContact CG-CG 4.07Å; L83-Y87 VanDerWaalsContact O-CB 3.3Å; L83-Y87 WeakPolarHBondContact O-CB 3.44Å; L83-Y87 PolarHBondContact O-N 3.46Å; T84-Y87 PolarHBondContact O-N 3.09Å; A85-Y87 PolarHBondContact O-N 3.19Å; Y87-N89 VanDerWaalsContact C-N 3.33Å; Y87-N89 PolarHBondContact O-N 3.49Å; Y87-T90 PolarHBondContact O-N 3.25Å; Y87-L91 HydrophobicContact CD1-CD1 4.11Å; Y87-L91 HydrophobicContact CD2-CD1 4.49Å; Y87-L91 HydrophobicContact CD2-CG 4.2Å; Y87-L91 HydrophobicContact CE1-CD1 3.73Å; Y87-L91 HydrophobicContact CE1-CG 4.39Å; Y87-L91 HydrophobicContact CE2-CD1 4.11Å; Y87-L91 HydrophobicContact CE2-CD2 3.86Å; Y87-L91 HydrophobicContact CE2-CG 3.87Å; Y87-L91 HydrophobicContact CG-CD1 4.48Å; Y87-L91 WeakPolarHBondContact O-CG 3.33Å; Y87-L91 PolarHBondContact O-N 2.85Å
88I98.4Very high97.6Very high85 Ų8580.6 Ų80.644%0.43643%0.428SS..Hα-helixtrans-56.5-47.4173.5-69.8167.8000110.7T84 A85 T90 L91 L92T84-I88 HydrophobicContact CG2-CD1 3.89Å; T84-I88 HydrophobicContact CG2-CG1 4.5Å; T84-I88 VanDerWaalsContact O-CG1 3.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.31Å; T84-I88 PolarHBondContact O-N 2.92Å; A85-I88 PolarHBondContact O-N 3.47Å; I88-T90 PolarHBondContact O-N 3.24Å; I88-L91 PolarHBondContact O-N 2.83Å; I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; I88-L92 WeakPolarHBondContact O-CG 3.5Å; I88-L92 PolarHBondContact O-N 2.95Å
89N98.4Very high97.6Very high97 Ų9784.1 Ų84.152%0.51944%0.435SS..Hα-helixtrans-61.4-43.2178.3-71.7-27.2000112.2A85 K86 Y87 L91 L92 M93A85-N89 PolarHBondContact O-N 3.27Å; A85-N89 VanDerWaalsContact O-N 3.09Å; A85-N89 PolarHBondContact O-ND2 3.31Å; K86-N89 PolarHBondContact O-N 3.25Å; Y87-N89 VanDerWaalsContact C-N 3.33Å; Y87-N89 PolarHBondContact O-N 3.49Å; N89-L91 VanDerWaalsContact C-N 3.34Å; N89-L91 PolarHBondContact O-N 3.35Å; N89-L92 PolarHBondContact O-N 2.98Å; N89-M93 WeakPolarHBondContact O-CG 3.05Å; N89-M93 PolarHBondContact O-N 3.41Å
90T97.8Very high97.6Very high90 Ų9084.8 Ų84.855%0.55244%0.442SS*.Hα-helixtrans-59.7-44.3175.2-600000111.7K86 Y87 I88 M93 R94K86-T90 PolarHBondContact O-N 3.12Å; K86-T90 PolarHBondContact O-OG1 2.98Å; K86-T90 VanDerWaalsContact O-OG1 3.13Å; Y87-T90 PolarHBondContact O-N 3.25Å; I88-T90 PolarHBondContact O-N 3.24Å; T90-M93 PolarHBondContact O-N 2.65Å; T90-R94 WeakPolarHBondContact O-CB 3.4Å; T90-R94 PolarHBondContact O-N 2.64Å
91L98.4Very high97.6Very high79 Ų7988.2 Ų88.241%0.41446%0.458SS..Hα-helixtrans-62.5-43.7176.8-69.3177.6000111.5Y87 I88 N89 M93 R94 V95Y87-L91 HydrophobicContact CD1-CD1 4.11Å; Y87-L91 HydrophobicContact CD2-CD1 4.49Å; Y87-L91 HydrophobicContact CD2-CG 4.2Å; Y87-L91 HydrophobicContact CE1-CD1 3.73Å; Y87-L91 HydrophobicContact CE1-CG 4.39Å; Y87-L91 HydrophobicContact CE2-CD1 4.11Å; Y87-L91 HydrophobicContact CE2-CD2 3.86Å; Y87-L91 HydrophobicContact CE2-CG 3.87Å; Y87-L91 HydrophobicContact CG-CD1 4.48Å; Y87-L91 WeakPolarHBondContact O-CG 3.33Å; Y87-L91 PolarHBondContact O-N 2.85Å; I88-L91 PolarHBondContact O-N 2.83Å; N89-L91 VanDerWaalsContact C-N 3.34Å; N89-L91 PolarHBondContact O-N 3.35Å; L91-M93 PolarHBondContact O-N 3.21Å; L91-R94 PolarHBondContact O-N 3.33Å; L91-V95 WeakPolarHBondContact O-CG2 3.4Å; L91-V95 PolarHBondContact O-N 3Å
92L98.5Very high97.4Very high98 Ų9886.8 Ų86.851%0.51345%0.453SS..Hα-helixtrans-61.2-43.7176.7-70.6173000112I88 N89 V95 S96I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; I88-L92 WeakPolarHBondContact O-CG 3.5Å; I88-L92 PolarHBondContact O-N 2.95Å; N89-L92 PolarHBondContact O-N 2.98Å; L92-V95 PolarHBondContact O-N 3.16Å; L92-S96 PolarHBondContact O-N 3.06Å
93M98.2Very high97.3Very high121 Ų12182.2 Ų82.260%0.59644%0.435SS*.Hα-helixtrans-62.6-42.1174.4-66.9-62.293.700111.6N89 T90 L91 S96 L97N89-M93 WeakPolarHBondContact O-CG 3.05Å; N89-M93 PolarHBondContact O-N 3.41Å; T90-M93 PolarHBondContact O-N 2.65Å; L91-M93 PolarHBondContact O-N 3.21Å; M93-S96 PolarHBondContact O-N 3.11Å; M93-L97 WeakPolarHBondContact O-CG 3.39Å; M93-L97 PolarHBondContact O-N 3.25Å
94R98.4Very high97.2Very high134 Ų13484.1 Ų84.151%0.50645%0.449SS..Hα-helixtrans-65.1-41.1177.8-174.957.9175.5163.63.6112.1T90 L91 L97 L98T90-R94 WeakPolarHBondContact O-CB 3.4Å; T90-R94 PolarHBondContact O-N 2.64Å; L91-R94 PolarHBondContact O-N 3.33Å; R94-L97 PolarHBondContact O-N 2.61Å; R94-L98 HydrophobicContact CG-CD1 4.08Å; R94-L98 HydrophobicContact CG-CG 4.48Å; R94-L98 WeakPolarHBondContact O-CB 3.5Å; R94-L98 VanDerWaalsContact O-CG 3.28Å; R94-L98 WeakPolarHBondContact O-CG 3.47Å; R94-L98 PolarHBondContact O-N 3.4Å
95V98.4Very high97Very high76 Ų7689.7 Ų89.746%0.46147%0.468SS..Hα-helixtrans-60-48.9174.2169.30000110.2L91 L92 L97 L98 E99L91-V95 WeakPolarHBondContact O-CG2 3.4Å; L91-V95 PolarHBondContact O-N 3Å; L92-V95 PolarHBondContact O-N 3.16Å; V95-L97 VanDerWaalsContact C-N 3.35Å; V95-L97 PolarHBondContact O-N 2.83Å; V95-L98 PolarHBondContact O-N 3.34Å; V95-E99 HydrophobicContact CG1-CG 4.35Å; V95-E99 WeakPolarHBondContact O-CG 3.44Å; V95-E99 PolarHBondContact O-N 3.18Å
96S98Very high96.7Very high65 Ų6593.2 Ų93.246%0.45547%0.47SS..Hα-helixtrans-59.8-42.5178.3-179.70000112.8L92 M93 E99 S100L92-S96 PolarHBondContact O-N 3.06Å; M93-S96 PolarHBondContact O-N 3.11Å; S96-E99 PolarHBondContact O-N 3.24Å; S96-S100 PolarHBondContact O-N 3.23Å; S96-S100 VanDerWaalsContact O-N 3.1Å
97L97.9Very high96.3Very high100 Ų10093.4 Ų93.452%0.52447%0.474SS..Hα-helixtrans-62.1-47.4174.9-72.1172.7000111.6M93 R94 V95 E99 S100 E101M93-L97 WeakPolarHBondContact O-CG 3.39Å; M93-L97 PolarHBondContact O-N 3.25Å; R94-L97 PolarHBondContact O-N 2.61Å; V95-L97 VanDerWaalsContact C-N 3.35Å; V95-L97 PolarHBondContact O-N 2.83Å; L97-E99 PolarHBondContact O-N 2.88Å; L97-S100 PolarHBondContact O-N 3.49Å; L97-S100 PolarHBondContact O-OG 3.4Å; L97-E101 WeakPolarHBondContact O-CB 3.09Å; L97-E101 PolarHBondContact O-N 3.3Å
98L98Very high96Very high70 Ų7093.7 Ų93.737%0.36649%0.488SS..Hα-helixtrans-63.8-39178.6-72.6172000112.1R94 V95 S100 E101 V102R94-L98 HydrophobicContact CG-CD1 4.08Å; R94-L98 HydrophobicContact CG-CG 4.48Å; R94-L98 WeakPolarHBondContact O-CB 3.5Å; R94-L98 VanDerWaalsContact O-CG 3.28Å; R94-L98 WeakPolarHBondContact O-CG 3.47Å; R94-L98 PolarHBondContact O-N 3.4Å; V95-L98 PolarHBondContact O-N 3.34Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 3.04Å; L98-E101 PolarHBondContact O-N 2.86Å; L98-V102 WeakPolarHBondContact O-CB 3.41Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 3.04Å
99E96.8Very high95.5Very high127 Ų12792.6 Ų92.659%0.59349%0.491SS*.Hα-helixtrans-60.6-41.4174.5-75177.5165.100111.9V95 S96 L97 A103V95-E99 HydrophobicContact CG1-CG 4.35Å; V95-E99 WeakPolarHBondContact O-CG 3.44Å; V95-E99 PolarHBondContact O-N 3.18Å; S96-E99 PolarHBondContact O-N 3.24Å; L97-E99 PolarHBondContact O-N 2.88Å; E99-A103 WeakPolarHBondContact O-CB 3.41Å; E99-A103 PolarHBondContact O-N 3.02Å
100S95.5Very high94.2Very high66 Ų6690.7 Ų90.746%0.46250%0.495SS..Hα-helixtrans-66.2-42.4175.778.30000112.1S96 L97 L98 A103 V104S96-S100 PolarHBondContact O-N 3.23Å; S96-S100 VanDerWaalsContact O-N 3.1Å; L97-S100 PolarHBondContact O-N 3.49Å; L97-S100 PolarHBondContact O-OG 3.4Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 3.04Å; S100-A103 WeakPolarHBondContact O-CB 3.27Å; S100-A103 PolarHBondContact O-N 2.95Å; S100-V104 WeakPolarHBondContact O-CG2 3.5Å; S100-V104 PolarHBondContact O-N 2.87Å
101E95.7Very high92.7Very high78 Ų7892.2 Ų92.236%0.36450%0.499SS..Hα-helixtrans-64.3-46.5178-178.8177.8175.500111.1L97 L98 A103 V104 Y105L97-E101 WeakPolarHBondContact O-CB 3.09Å; L97-E101 PolarHBondContact O-N 3.3Å; L98-E101 PolarHBondContact O-N 2.86Å; E101-A103 VanDerWaalsContact C-N 3.29Å; E101-A103 PolarHBondContact O-N 3.49Å; E101-V104 PolarHBondContact O-N 3.5Å; E101-Y105 HydrophobicContact CG-CD2 3.83Å; E101-Y105 HydrophobicContact CG-CE2 3.44Å; E101-Y105 VanDerWaalsContact CG-CE2 3.44Å; E101-Y105 WeakPolarHBondContact O-CD2 3.35Å; E101-Y105 PolarHBondContact O-N 3.36Å; E101-Y105 WeakPolarHBondContact OE1-CE2 3.31Å
102V95.1Very high90.8Very high67 Ų6795.7 Ų95.741%0.40651%0.513SS..Hα-helixtrans-63-37.1174.8178.80000110.8L98 Y105 R106L98-V102 WeakPolarHBondContact O-CB 3.41Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 3.04Å; V102-Y105 PolarHBondContact O-N 2.88Å; V102-R106 HydrophobicContact CG1-CG 4.44Å; V102-R106 WeakPolarHBondContact O-CG 3.44Å; V102-R106 PolarHBondContact O-N 3.24Å
103A93.5Very high88.9Confident25 Ų2598.7 Ų98.721%0.20753%0.529CS..Hα-helixtrans-63.5-40.3175.600000112.5E99 S100 E101 Q107E99-A103 WeakPolarHBondContact O-CB 3.41Å; E99-A103 PolarHBondContact O-N 3.02Å; S100-A103 WeakPolarHBondContact O-CB 3.27Å; S100-A103 PolarHBondContact O-N 2.95Å; E101-A103 VanDerWaalsContact C-N 3.29Å; E101-A103 PolarHBondContact O-N 3.49Å; A103-Q107 VanDerWaalsContact O-CG 3.29Å; A103-Q107 WeakPolarHBondContact O-CG 3.47Å; A103-Q107 PolarHBondContact O-N 3.28Å; A103-Q107 VanDerWaalsContact O-N 3.14Å; A103-Q107 PolarHBondContact O-NE2 3.35Å
104V93.4Very high86.6Confident93 Ų9399 Ų9956%0.56453%0.533SS*.Hα-helixtrans-64.8-45.2173.71730000110.7S100 E101 R106 Q107 S108S100-V104 WeakPolarHBondContact O-CG2 3.5Å; S100-V104 PolarHBondContact O-N 2.87Å; E101-V104 PolarHBondContact O-N 3.5Å; V104-R106 PolarHBondContact O-N 3.5Å; V104-Q107 PolarHBondContact O-N 3.03Å; V104-S108 PolarHBondContact O-N 3.3Å; V104-S108 PolarHBondContact O-OG 3.28Å
105Y93.2Very high84.6Confident144 Ų14497.9 Ų97.957%0.56554%0.543SS*.Hα-helixtrans-60.2-44.4176.8-77.6-57.8000112.4E101 V102 Q107 S108 A109E101-Y105 HydrophobicContact CG-CD2 3.83Å; E101-Y105 HydrophobicContact CG-CE2 3.44Å; E101-Y105 VanDerWaalsContact CG-CE2 3.44Å; E101-Y105 WeakPolarHBondContact O-CD2 3.35Å; E101-Y105 PolarHBondContact O-N 3.36Å; E101-Y105 WeakPolarHBondContact OE1-CE2 3.31Å; V102-Y105 PolarHBondContact O-N 2.88Å; Y105-Q107 VanDerWaalsContact C-N 3.33Å; Y105-Q107 PolarHBondContact O-N 2.92Å; Y105-S108 WeakPolarHBondContact CA-OG 3.42Å; Y105-S108 PolarHBondContact O-N 3.46Å; Y105-S108 PolarHBondContact O-OG 3.3Å; Y105-A109 VanDerWaalsContact O-CB 3.29Å; Y105-A109 WeakPolarHBondContact O-CB 3.46Å; Y105-A109 PolarHBondContact O-N 3.45Å
106R92.1Very high82.1Confident125 Ų12599.6 Ų99.647%0.47255%0.553SS.*Hα-helixtrans-59.5-41.7175.8-73.8-170.1-56.2-104.8-1.5112.5V102 V104 L111V102-R106 HydrophobicContact CG1-CG 4.44Å; V102-R106 WeakPolarHBondContact O-CG 3.44Å; V102-R106 PolarHBondContact O-N 3.24Å; V104-R106 PolarHBondContact O-N 3.5Å; R106-L111 PolarHBondContact O-N 3.04Å
107Q89.9Confident79.5Confident137 Ų137101.2 Ų101.264%0.6457%0.565SS**Hα-helixtrans-64-43.9176.1-71.9170.753.700111.4A103 V104 Y105A103-Q107 VanDerWaalsContact O-CG 3.29Å; A103-Q107 WeakPolarHBondContact O-CG 3.47Å; A103-Q107 PolarHBondContact O-N 3.28Å; A103-Q107 VanDerWaalsContact O-N 3.14Å; A103-Q107 PolarHBondContact O-NE2 3.35Å; V104-Q107 PolarHBondContact O-N 3.03Å; Y105-Q107 VanDerWaalsContact C-N 3.33Å; Y105-Q107 PolarHBondContact O-N 2.92Å
108S89.9Confident77Confident90 Ų90101.6 Ų101.663%0.62958%0.576SS**Hα-helixtrans-71.4-31.3179.8680000114.2V104 Y105 G110V104-S108 PolarHBondContact O-N 3.3Å; V104-S108 PolarHBondContact O-OG 3.28Å; Y105-S108 WeakPolarHBondContact CA-OG 3.42Å; Y105-S108 PolarHBondContact O-N 3.46Å; Y105-S108 PolarHBondContact O-OG 3.3Å; S108-G110 PolarHBondContact O-N 2.97Å
109A87.7Confident74.3Confident62 Ų62106.9 Ų106.951%0.51260%0.599SS.*THydrogen-bonded Turntrans-810.8-178.800000113.5Y105 L111Y105-A109 VanDerWaalsContact O-CB 3.29Å; Y105-A109 WeakPolarHBondContact O-CB 3.46Å; Y105-A109 PolarHBondContact O-N 3.45Å; A109-L111 HydrophobicContact CB-CD1 4.1Å; A109-L111 HydrophobicContact CB-CG 3.97Å; A109-L111 PolarHBondContact O-N 3.1Å; A109-L111 VanDerWaalsContact O-N 3.14Å
110G72Confident72.3Confident58 Ų58108.1 Ų108.160%0.59861%0.609SS**THydrogen-bonded Turntrans64.814.2-176.300000113.7S108 Q112S108-G110 PolarHBondContact O-N 2.97Å; G110-Q112 PolarHBondContact O-N 3.07Å
111L65.8Low69.7Low122 Ų122109.9 Ų109.964%0.63962%0.621SS**  trans-82.859.5176.7-61.2177.3000109.5R106 A109 L113R106-L111 PolarHBondContact O-N 3.04Å; A109-L111 HydrophobicContact CB-CD1 4.1Å; A109-L111 HydrophobicContact CB-CG 3.97Å; A109-L111 PolarHBondContact O-N 3.1Å; A109-L111 VanDerWaalsContact O-N 3.14Å; L111-L113 PolarHBondContact O-N 3.03Å
112Q58.6Low67.1Low151 Ų151110 Ų11071%0.70664%0.643SS**  trans-7297.7170.5-68.8-81.580.300107.7G110 N114G110-Q112 PolarHBondContact O-N 3.07Å; Q112-N114 VanDerWaalsContact C-N 3.33Å; Q112-N114 PolarHBondContact O-N 3.1Å
113L59.1Low64.6Low162 Ų162111.5 Ų111.585%0.84866%0.657SS**  trans-64.1104.6153.2-92.1152.3000106.1L111 P115L111-L113 PolarHBondContact O-N 3.03Å; L113-P115 WeakPolarHBondContact O-CD 3.42Å; L113-P115 VanDerWaalsContact O-N 3.14Å
114N50.5Low62.3Low127 Ų127114.7 Ų114.768%0.67968%0.677SS**  trans-48117.8165.2-165.718.2000107.4Q112 V116Q112-N114 VanDerWaalsContact C-N 3.33Å; Q112-N114 PolarHBondContact O-N 3.1Å; N114-V116 PolarHBondContact O-N 3.36Å
115P56.4Low60Low111 Ų111116.3 Ų116.372%0.72169%0.687SS**  trans-69.785.1170.228.1-29.3000106.5L113 S117L113-P115 WeakPolarHBondContact O-CD 3.42Å; L113-P115 VanDerWaalsContact O-N 3.14Å; P115-S117 VanDerWaalsContact C-N 3.3Å; P115-S117 PolarHBondContact O-N 2.9Å
116V45.5Very low57.7Low111 Ų111114.2 Ų114.267%0.67369%0.689SS**  trans-63.6107.8155.8170.30000104.4N114 S118N114-V116 PolarHBondContact O-N 3.36Å; V116-S118 VanDerWaalsContact C-N 3.3Å; V116-S118 PolarHBondContact O-N 3.48Å
117S43.9Very low55.3Low100 Ų100113.7 Ų113.770%0.69971%0.705SS**  trans-41.293.6165.4-47.40000109.7P115 E119P115-S117 VanDerWaalsContact C-N 3.3Å; P115-S117 PolarHBondContact O-N 2.9Å; S117-E119 PolarHBondContact O-N 3.12Å
118S44.2Very low53.1Low108 Ų108117.7 Ų117.776%0.75571%0.714SS**  trans-77.771.8158.8-87.30000107V116 L120V116-S118 VanDerWaalsContact C-N 3.3Å; V116-S118 PolarHBondContact O-N 3.48Å; S118-L120 PolarHBondContact O-N 3.07Å
119E42.6Very low50.9Low180 Ų180121.5 Ų121.584%0.84172%0.719SS**  trans-67.183.4151.1-67.7-147.3150.100107.5S117S117-E119 PolarHBondContact O-N 3.12Å
120L53.3Low49.1Very low153 Ų153129 Ų12980%0.80174%0.735SS**  trans-128.284.7161-102.2144.5000107.3S118S118-L120 PolarHBondContact O-N 3.07Å
121S42Very low47.7Very low104 Ų104136 Ų13673%0.72774%0.743SS**  trans55.299140.3-160.50000115.5S123S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 3.43Å
122G40.3Very low47.3Very low79 Ų79135.9 Ų135.981%0.81475%0.752SS**  trans-53.294.6158.200000110.7S124G122-S124 PolarHBondContact O-N 2.99Å
123S42.5Very low47.2Very low100 Ų100135.1 Ų135.170%0.69975%0.753SS**  trans-70.873.2153.7161.80000107.5S121 V125S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 3.43Å; S123-V125 PolarHBondContact O-N 3.36Å
124S46Very low46.7Very low91 Ų91134.1 Ų134.164%0.63675%0.748SS**  trans-57.3106153.1178.80000106.1G122 T126G122-S124 PolarHBondContact O-N 2.99Å; S124-T126 PolarHBondContact O-N 3.31Å
125V44.7Very low47.3Very low128 Ų128136.5 Ų136.578%0.77676%0.76SS**  trans-70.377.2165.8-164.50000105.7S123 S127S123-V125 PolarHBondContact O-N 3.36Å; V125-S127 PolarHBondContact O-N 3.01Å; V125-S127 VanDerWaalsContact O-N 3.11Å
126T44.9Very low47.1Very low99 Ų99140.6 Ų140.661%0.60777%0.766SS**  trans-56.2118.4167.854.70000106.4S124 R128S124-T126 PolarHBondContact O-N 3.31Å; T126-R128 PolarHBondContact O-N 3.39Å
127S42.6Very low47.6Very low114 Ų114143.1 Ų143.180%0.79778%0.776SS**  trans-42.3106.8168.1-580000109.4V125 K129V125-S127 PolarHBondContact O-N 3.01Å; V125-S127 VanDerWaalsContact O-N 3.11Å; S127-K129 PolarHBondContact O-N 2.88Å
128R43.1Very low48.3Very low221 Ų221148.8 Ų148.883%0.83478%0.782SS**  trans-6985.6170.6-73.7-174.5-167.31643.2108.1T126 R130T126-R128 PolarHBondContact O-N 3.39Å; R128-R130 VanDerWaalsContact C-N 3.3Å; R128-R130 PolarHBondContact O-N 3.23Å
129K42.5Very low48.6Very low170 Ų170147 Ų14774%0.73977%0.768SS**  trans-66.189.6162-175.8170-178.2173.30107.5S127 R131S127-K129 PolarHBondContact O-N 2.88Å; K129-R131 PolarHBondContact O-N 3.22Å; K129-R131 VanDerWaalsContact O-N 3.09Å
130R50.8Low49Very low221 Ų221146 Ų14683%0.83477%0.768SS**  trans-70.399.9166-74.2-175.3174.7167.6-1.7107.8R128R128-R130 VanDerWaalsContact C-N 3.3Å; R128-R130 PolarHBondContact O-N 3.23Å
131R42.7Very low48.3Very low205 Ų205144.1 Ų144.177%0.77477%0.767SS**  trans-75.8125.4147.9-70.4-174.5170.9-119.52.1106.1K129K129-R131 PolarHBondContact O-N 3.22Å; K129-R131 VanDerWaalsContact O-N 3.09Å
132S56.9Low48.9Very low118 Ų118146.1 Ų146.183%0.82577%0.768SS**  trans-134.3120.8159.2-172.90000105.9
133D56.5Low49.3Very low136 Ų136153.5 Ų153.573%0.72777%0.772SS**  trans-64.1160.4-177.7-69.2-57000113.1
134D48.8Very low49.7Very low141 Ų141156 Ų15675%0.75478%0.777SS**  trans-25.7132.6170.7-67.1-90.5000117
135L63.2Low49.9Very low177 Ų177163.1 Ų163.193%0.92779%0.79SS**  trans-157.9119.5135.1-99.4143.8000109.6
136K53.2Low50.1Low196 Ų196168.7 Ų168.785%0.85280%0.797SS**  trans-57.9128.1171-66163.6172.1174.30110.4
137D56Low50.2Low165 Ų165174.7 Ų174.788%0.88281%0.809SS**  178.5151.5110.3-135.1-21.4000111.1
138R57Low50.3Low218 Ų218179.8 Ų179.882%0.82381%0.81SS**  trans-97.2-177.5-169.5-158.5-159.6160-116-1.9110.4
139P52.1Low50.6Low72 Ų72174.9 Ų174.947%0.46880%0.804SS.*  -110.3171-7736.2-23.5000113.4
140D50.5Low50.5Low157 Ų157173.9 Ų173.984%0.8480%0.803SS**  -167134.4129.8-96.8-30.3000111.7I142D140-I142 PolarHBondContact O-N 3.29Å
141C38.7Very low50.9Low115 Ų115171 Ų17178%0.77780%0.802SS**  trans-81.7116.6-175.585.10000110.5
142I53.9Low50.7Low146 Ų146170 Ų17075%0.74981%0.806SS**  trans-115.6108.5163.8-62.3-179.8000108D140 N144D140-I142 PolarHBondContact O-N 3.29Å; I142-N144 PolarHBondContact O-N 3.46Å
143R49.1Very low49.7Very low234 Ų234167.2 Ų167.288%0.88380%0.796SS**  trans-66.794-178.7-158.9-175.9-62.7-176.81.5108.9R145R143-R145 PolarHBondContact O-N 3.07Å
144N51Low49Very low153 Ų153168.4 Ų168.482%0.81880%0.801SS**  trans-73.3114.6176.9-89.6-32000111.4I142 R146I142-N144 PolarHBondContact O-N 3.46Å; N144-R146 PolarHBondContact O-N 3.42Å
145R49.7Very low48.7Very low239 Ų239171.3 Ų171.390%0.90280%0.803SS**  trans-44.8120.3168-82.4176.6180172.30110.9R143 R147R143-R145 PolarHBondContact O-N 3.07Å; R145-R147 PolarHBondContact O-N 3.42Å
146R49Very low47.5Very low245 Ų245169.1 Ų169.193%0.92579%0.792SS**  trans-64.298.5163.7-160.1177.3-167.4-167.13.2108N144 R148N144-R146 PolarHBondContact O-N 3.42Å; R146-R148 PolarHBondContact O-N 3.49Å
147R47.7Very low46.8Very low226 Ų226164.9 Ų164.985%0.85379%0.787SS**  trans-62.1116.8163.4-91.4-175.5-81.2155.2-5.1107.5R145 V149R145-R147 PolarHBondContact O-N 3.42Å; R147-V149 PolarHBondContact O-N 3.35Å
148R44.1Very low46.2Very low221 Ų221160.9 Ų160.983%0.83477%0.772SS**  trans-60.7111.7163.3178.3-173.9-101.4-155.5-4.4106.2R146R146-R148 PolarHBondContact O-N 3.49Å
149V49.7Very low45.4Very low117 Ų117161.9 Ų161.971%0.70978%0.776SS**  trans-83.7110.3167.4174.40000105.7R147 I151R147-V149 PolarHBondContact O-N 3.35Å; V149-I151 HydrophobicContact CG1-CG1 4.22Å; V149-I151 PolarHBondContact O-N 2.93Å
150E41Very low45.1Very low150 Ų150165.2 Ų165.270%0.70180%0.795SS**  trans-69.1113.6162.8-70.1178.916600106.9E152E150-E152 VanDerWaalsContact C-N 3.28Å; E150-E152 PolarHBondContact O-N 3.35Å
151I58.6Low44.6Very low160 Ų160165.1 Ų165.182%0.82179%0.794SS**  trans-85.882.8169-62.8174.3000105.5V149V149-I151 HydrophobicContact CG1-CG1 4.22Å; V149-I151 PolarHBondContact O-N 2.93Å
152E37.8Very low44.8Very low184 Ų184170.3 Ų170.386%0.8680%0.799SS**  trans-89.5127.8150-75.3-164.5155.200107E150E150-E152 VanDerWaalsContact C-N 3.28Å; E150-E152 PolarHBondContact O-N 3.35Å
153G37Very low44.5Very low60 Ų60168.4 Ų168.462%0.61979%0.794SS**  trans151.6109.5163.500000116.3
154I41.4Very low44Very low160 Ų160165.4 Ų165.482%0.82179%0.79SS**  trans86.384.3141-49.5158.3000114.7D156I154-D156 PolarHBondContact O-N 3.28Å
155Y42.7Very low43.9Very low203 Ų203167.2 Ų167.280%0.79679%0.791SS**  trans-67116150.753.5-84.3000108.1S157Y155-S157 VanDerWaalsContact C-N 3.34Å; Y155-S157 PolarHBondContact O-N 3.49Å
156D37.7Very low43.6Very low131 Ų131160.2 Ų160.270%0.70178%0.778SS**  trans-8882.3164-169.5-2.6000108I154 S158I154-D156 PolarHBondContact O-N 3.28Å; D156-S158 VanDerWaalsContact C-N 3.33Å; D156-S158 PolarHBondContact O-N 2.95Å; D156-S158 WeakPolarHBondContact OD1-CB 3.49Å; D156-S158 PolarHBondContact OD1-OG 3.3Å
157S38.5Very low43.6Very low106 Ų106154.6 Ų154.674%0.74177%0.774SS**  trans-84.376.7170.6-76.10000109.1Y155Y155-S157 VanDerWaalsContact C-N 3.34Å; Y155-S157 PolarHBondContact O-N 3.49Å
158S43.7Very low43.4Very low82 Ų82152.7 Ų152.757%0.57377%0.774SS**  trans-138.150.7174.865.10000113.3D156D156-S158 VanDerWaalsContact C-N 3.33Å; D156-S158 PolarHBondContact O-N 2.95Å; D156-S158 WeakPolarHBondContact OD1-CB 3.49Å; D156-S158 PolarHBondContact OD1-OG 3.3Å
159R40.4Very low43.4Very low238 Ų238147.1 Ų147.190%0.89877%0.769SS**  trans-164.872.5160.8-121.4169.3-172.8-115.72.4114.4
160T45.5Very low43.5Very low143 Ų143148.1 Ų148.188%0.87778%0.776SS**  trans-13383.3161.1570000109.5
161N40.3Very low43.5Very low154 Ų154147.9 Ų147.982%0.82478%0.78SS**  trans-80.9102.3156-81.3-53.9000106.4
162Y41.6Very low42.9Very low225 Ų225145 Ų14588%0.88277%0.769SS**  trans-164.998.2148.7-107-75.7000109.9
163V48.8Very low43.5Very low106 Ų106142.8 Ų142.864%0.64276%0.759SS**  trans46.997.7140.3-1660000117.8F165V163-F165 HydrophobicContact CG1-CD2 3.59Å; V163-F165 HydrophobicContact CG1-CE2 3.6Å
164H37.7Very low43.8Very low170 Ų170147.9 Ų147.979%0.78777%0.766SS**  trans-69.7120.2161-179.8-87.2000110.6
165F49.2Very low44Very low191 Ų191145.9 Ų145.984%0.83877%0.767SS**  trans-121.6128.3160.4-92.9-77.8000109.7V163V163-F165 HydrophobicContact CG1-CD2 3.59Å; V163-F165 HydrophobicContact CG1-CE2 3.6Å
166S44.1Very low44.2Very low92 Ų92141.6 Ų141.664%0.64377%0.766SS**  trans-59.2154.4-170.4-55.50000116.2
167P48.7Very low44.8Very low128 Ų128140.4 Ų140.483%0.83177%0.766SS**  trans-98.7131.6159.734.4-23.5000110.9
168E43.8Very low45Very low185 Ų185142.6 Ų142.686%0.86477%0.768SS**  trans-131.6114.8168.6-165.4160.414200111.3
169S42.5Very low45Very low104 Ų104145 Ų14573%0.72778%0.78SS**  trans19.1132147.9-46.60000123
170T52.3Low45.2Very low139 Ų139138 Ų13885%0.85377%0.767SS**  157.1103.5126.736.40000109.6
171D42.1Very low45.3Very low145 Ų145141.3 Ų141.378%0.77577%0.77SS**  66.9140.988.3-154.716.1000116.4
172T46.1Very low45.1Very low98 Ų98141.2 Ų141.260%0.60177%0.769SS**  trans114.292.7152.1-45.20000119.3
173H49.1Very low45.5Very low139 Ų139136.4 Ų136.464%0.64477%0.769SS**  trans78.8121.9130.1-56.2-28.1000125.6
174Q43.2Very low45.1Very low166 Ų166136 Ų13678%0.77677%0.77SS**  56.3120.3125.8-57.3-179.368.100117.8
175S46.5Very low45.1Very low119 Ų119134.5 Ų134.583%0.83277%0.773SS**  -172.6136.879.5-56.20000112
176S45.6Very low45.2Very low112 Ų112130.5 Ų130.578%0.78377%0.769SS**  trans-72.5-161.6169.7-39.20000111.8
177P51.1Low44.9Very low107 Ų107134.7 Ų134.770%0.69578%0.783SS**  cis-148.2173.4-722.75.1000118.6
178L42.5Very low44.4Very low151 Ų151134.1 Ų134.179%0.79178%0.781SS**  trans67.6128.7138.1-69.3158.3000123.2
179T45Very low44.2Very low133 Ų133130.6 Ų130.682%0.81678%0.776SS**  -174.995.4120.343.40000108.6
180S42.8Very low43.9Very low90 Ų90131 Ų13163%0.62979%0.785SS**  49.1111.192.3630000116.9
181F47.7Very low43.2Very low214 Ų214129.4 Ų129.494%0.93978%0.78SS**  trans-153.9109130.8-101.6-73.4000110.8
182N37.3Very low43.5Very low151 Ų151128.2 Ų128.281%0.80778%0.78SS**  trans-74.6146.4164.8-81.3-24000109.7
183S49.3Very low43.1Very low124 Ų124131.6 Ų131.687%0.86779%0.79SS**  trans-145.3126.2149.9-75.10000109
184S39.9Very low43.3Very low97 Ų97129.8 Ų129.868%0.67879%0.79SS**  trans-87.8173.9-163.4-54.30000113.5
185T38.5Very low43.2Very low139 Ų139127.1 Ų127.185%0.85378%0.781SS**  trans79.9137.9160.473.80000115.2
186S51.5Low43.5Very low107 Ų107126.3 Ų126.375%0.74878%0.776SS**  cis-155.7148.317.651.80000110.6C188S186-C188 PolarHBondContact O-N 2.89Å
187I38.1Very low44Very low180 Ų180126.5 Ų126.592%0.92377%0.772SS**  trans-66.2120.1175.4-29.2173.4000108.3
188C37.3Very low44.4Very low117 Ų117125 Ų12579%0.79176%0.764SS**  trans-134.7113.7170.3-145.80000109.9S186S186-C188 PolarHBondContact O-N 2.89Å
189S38.9Very low46.1Very low111 Ų111119.9 Ų119.978%0.77674%0.741SS**  trans6.1132.9161.6-51.20000120.1S191S189-S191 PolarHBondContact O-N 3.48Å
190A37.7Very low48Very low111 Ų111117.4 Ų117.492%0.91773%0.726SS**  trans-35.7117.9168.200000113.6
191S37.5Very low50.1Low106 Ų106115.5 Ų115.574%0.74172%0.715SS**  trans-108.4134.7169.8-172.20000108.4S189 Q193S189-S191 PolarHBondContact O-N 3.48Å; S191-Q193 PolarHBondContact O-N 3.37Å; S191-Q193 VanDerWaalsContact O-N 3.16Å
192P47.7Very low52Low120 Ų120107.7 Ų107.778%0.77969%0.69SS**  trans-63.7119.2-175.2-12.726.4000109.6P194P192-P194 VanDerWaalsContact O-CD 3.29Å; P192-P194 WeakPolarHBondContact O-CD 3.35Å
193Q37.7Very low54.5Low170 Ų170108.2 Ų108.279%0.79468%0.681SS**  trans-67.5119.4173.1-145.9-162.21.500108.2S191 D195S191-Q193 PolarHBondContact O-N 3.37Å; S191-Q193 VanDerWaalsContact O-N 3.16Å; Q193-D195 PolarHBondContact O-N 3.04Å
194P53.5Low56.7Low101 Ų101107.3 Ų107.366%0.65667%0.666SS**  trans-78.9112.3172.130-28.4000107.9P192 S196P192-P194 VanDerWaalsContact O-CD 3.29Å; P192-P194 WeakPolarHBondContact O-CD 3.35Å; P194-S196 PolarHBondContact O-N 3.24Å; P194-S196 PolarHBondContact O-OG 3.24Å
195D41Very low59.1Low110 Ų110109 Ų10959%0.58866%0.663SS**  trans-48.9107.3166-71.6-49.3000108.7Q193 T197 S198Q193-D195 PolarHBondContact O-N 3.04Å; D195-T197 PolarHBondContact O-N 2.87Å; D195-S198 WeakPolarHBondContact O-CB 3.39Å; D195-S198 PolarHBondContact O-N 3.01Å
196S53.8Low61.6Low102 Ų102109 Ų10971%0.71365%0.653SS**THydrogen-bonded Turntrans-69.7-6.5-170.4-58.70000112.5P194P194-S196 PolarHBondContact O-N 3.24Å; P194-S196 PolarHBondContact O-OG 3.24Å
197T54.8Low63.7Low115 Ų115109 Ų10971%0.70664%0.644SS**THydrogen-bonded Turntrans-86.1-39.8171.252.50000112.5D195 S199 T200 A201D195-T197 PolarHBondContact O-N 2.87Å; T197-S199 VanDerWaalsContact C-N 3.28Å; T197-S199 PolarHBondContact O-N 3.18Å; T197-T200 PolarHBondContact O-N 3.38Å; T197-A201 PolarHBondContact O-N 2.88Å
198S60.9Low66.3Low75 Ų75104.7 Ų104.752%0.52463%0.626SS.*Hα-helixtrans-59-39.2176.8168.20000111.8D195 T200 A201 A202D195-S198 WeakPolarHBondContact O-CB 3.39Å; D195-S198 PolarHBondContact O-N 3.01Å; S198-T200 VanDerWaalsContact C-N 3.31Å; S198-T200 PolarHBondContact O-N 3.44Å; S198-A201 PolarHBondContact O-N 3.35Å; S198-A202 WeakPolarHBondContact O-CB 3.38Å; S198-A202 PolarHBondContact O-N 2.96Å
199S76.7Confident68.9Low44 Ų44103.6 Ų103.631%0.30861%0.61SS.*Hα-helixtrans-67-28.1-179.7-172.40000114.2T197 R203T197-S199 VanDerWaalsContact C-N 3.28Å; T197-S199 PolarHBondContact O-N 3.18Å; S199-R203 WeakPolarHBondContact O-CB 3.42Å; S199-R203 VanDerWaalsContact O-CG 3.24Å; S199-R203 WeakPolarHBondContact O-CG 3.01Å; S199-R203 PolarHBondContact O-N 3.16Å; S199-R203 PolarHBondContact O-NE 3.27Å; S199-R203 VanDerWaalsContact O-NE 3.07Å; S199-R203 PolarHBondContact OG-NE 3.46Å; S199-R203 PolarHBondContact OG-NH2 3.37Å
200T84.4Confident71.3Confident81 Ų81100.4 Ų100.450%0.49759%0.591SS.*Hα-helixtrans-80.9-41.5176.7-55.30000110.5T197 S198 R203 L204T197-T200 PolarHBondContact O-N 3.38Å; S198-T200 VanDerWaalsContact C-N 3.31Å; S198-T200 PolarHBondContact O-N 3.44Å; T200-R203 PolarHBondContact O-N 2.97Å; T200-L204 HydrophobicContact CG2-CD1 4.36Å; T200-L204 WeakPolarHBondContact O-CG 3.41Å; T200-L204 PolarHBondContact O-N 3.17Å
201A87.7Confident73.7Confident50 Ų5099.1 Ų99.141%0.41357%0.567SS.*Hα-helixtrans-61.3-49.3175.700000111.9T197 S198 R203 L204 E205T197-A201 PolarHBondContact O-N 2.88Å; S198-A201 PolarHBondContact O-N 3.35Å; A201-R203 VanDerWaalsContact C-N 3.28Å; A201-R203 PolarHBondContact O-N 2.93Å; A201-L204 WeakPolarHBondContact O-CB 3.21Å; A201-L204 PolarHBondContact O-N 3.2Å; A201-E205 PolarHBondContact O-N 2.97Å
202A87.9Confident76.1Confident50 Ų50100.4 Ų100.441%0.41356%0.562SS.*Hα-helixtrans-59.9-38.1176.300000112.5S198 E205 H206S198-A202 WeakPolarHBondContact O-CB 3.38Å; S198-A202 PolarHBondContact O-N 2.96Å; A202-E205 PolarHBondContact O-N 2.9Å; A202-H206 PolarHBondContact O-N 3.37Å
203R89.8Confident77.7Confident163 Ų163102 Ų10262%0.61556%0.559SS**Hα-helixtrans-64.6-39.6173.8-84.3-176.3-108.8-147.7-0.6112.4S199 T200 A201 L207S199-R203 WeakPolarHBondContact O-CB 3.42Å; S199-R203 VanDerWaalsContact O-CG 3.24Å; S199-R203 WeakPolarHBondContact O-CG 3.01Å; S199-R203 PolarHBondContact O-N 3.16Å; S199-R203 PolarHBondContact O-NE 3.27Å; S199-R203 VanDerWaalsContact O-NE 3.07Å; S199-R203 PolarHBondContact OG-NE 3.46Å; S199-R203 PolarHBondContact OG-NH2 3.37Å; T200-R203 PolarHBondContact O-N 2.97Å; A201-R203 VanDerWaalsContact C-N 3.28Å; A201-R203 PolarHBondContact O-N 2.93Å; R203-L207 WeakPolarHBondContact O-CG 3.32Å; R203-L207 PolarHBondContact O-N 2.9Å; R203-L207 VanDerWaalsContact O-N 3.09Å
204L95.7Very high79.7Confident104 Ų104100.7 Ų100.755%0.54556%0.556SS.*Hα-helixtrans-67.9-40.3175.9-70.8171.8000111.7T200 A201 L207 V208T200-L204 HydrophobicContact CG2-CD1 4.36Å; T200-L204 WeakPolarHBondContact O-CG 3.41Å; T200-L204 PolarHBondContact O-N 3.17Å; A201-L204 WeakPolarHBondContact O-CB 3.21Å; A201-L204 PolarHBondContact O-N 3.2Å; L204-L207 PolarHBondContact O-N 3.4Å; L204-V208 WeakPolarHBondContact O-CG2 3.32Å; L204-V208 PolarHBondContact O-N 3.45Å
205E91.1Very high80.5Confident133 Ų133103.6 Ų103.662%0.62156%0.561SS**Hα-helixtrans-62-45.5174.8-72-174.3-178.600112.1A201 A202 L207 V208 M209A201-E205 PolarHBondContact O-N 2.97Å; A202-E205 PolarHBondContact O-N 2.9Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.31Å; E205-V208 PolarHBondContact O-N 3.36Å; E205-V208 VanDerWaalsContact O-N 3.16Å; E205-M209 WeakPolarHBondContact O-CG 3.35Å; E205-M209 PolarHBondContact O-N 2.64Å
206H90.7Very high81.5Confident139 Ų139101.5 Ų101.564%0.64457%0.565SS**Hα-helixtrans-57.7-40.8173.2-105.9-144.2000112.5A202 M209 A210A202-H206 PolarHBondContact O-N 3.37Å; H206-M209 WeakPolarHBondContact CD2-CE 3.37Å; H206-A210 WeakPolarHBondContact O-CB 3.49Å; H206-A210 PolarHBondContact O-N 3.34Å
207L94.5Very high81.4Confident106 Ų10699.5 Ų99.556%0.55556%0.56SS**Hα-helixtrans-65.9-40.4175.9-77.4167.2000112.1R203 L204 E205 A210 I211R203-L207 WeakPolarHBondContact O-CG 3.32Å; R203-L207 PolarHBondContact O-N 2.9Å; R203-L207 VanDerWaalsContact O-N 3.09Å; L204-L207 PolarHBondContact O-N 3.4Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.31Å; L207-A210 PolarHBondContact O-N 2.89Å; L207-I211 WeakPolarHBondContact O-CD1 3.39Å; L207-I211 VanDerWaalsContact O-CG1 3.24Å; L207-I211 WeakPolarHBondContact O-CG1 3.36Å; L207-I211 PolarHBondContact O-N 2.99Å
208V92.6Very high81Confident90 Ų9097.5 Ų97.555%0.54556%0.563SS.*Hα-helixtrans-64.1-47.5176.7171.20000110.9L204 E205 A210 I211 E212L204-V208 WeakPolarHBondContact O-CG2 3.32Å; L204-V208 PolarHBondContact O-N 3.45Å; E205-V208 PolarHBondContact O-N 3.36Å; E205-V208 VanDerWaalsContact O-N 3.16Å; V208-A210 VanDerWaalsContact C-N 3.31Å; V208-A210 PolarHBondContact O-N 3.28Å; V208-I211 PolarHBondContact O-N 3.43Å; V208-E212 PolarHBondContact O-N 2.88Å
209M92.3Very high80.3Confident94 Ų9498.3 Ų98.346%0.46357%0.574SS.*Hα-helixtrans-60.6-39.6176.7-69.4-167.8-6200112.3E205 H206 E212 Q213E205-M209 WeakPolarHBondContact O-CG 3.35Å; E205-M209 PolarHBondContact O-N 2.64Å; H206-M209 WeakPolarHBondContact CD2-CE 3.37Å; M209-E212 PolarHBondContact O-N 3.24Å; M209-Q213 WeakPolarHBondContact O-CG 3.24Å; M209-Q213 PolarHBondContact O-N 3.43Å; M209-Q213 VanDerWaalsContact O-N 3.09Å
210A90.1Very high79Confident44 Ų44103.5 Ų103.536%0.36460%0.597SS.*Hα-helixtrans-66-38.9177.300000112.5H206 L207 V208 Q213 I214H206-A210 WeakPolarHBondContact O-CB 3.49Å; H206-A210 PolarHBondContact O-N 3.34Å; L207-A210 PolarHBondContact O-N 2.89Å; V208-A210 VanDerWaalsContact C-N 3.31Å; V208-A210 PolarHBondContact O-N 3.28Å; A210-Q213 PolarHBondContact O-N 3.31Å; A210-I214 WeakPolarHBondContact O-CD1 3.35Å; A210-I214 VanDerWaalsContact O-CG1 3.3Å; A210-I214 WeakPolarHBondContact O-CG1 3.39Å; A210-I214 PolarHBondContact O-N 3.14Å
211I87.3Confident77Confident84 Ų84107.4 Ų107.443%0.43162%0.615SS.*Hα-helixtrans-67.6-41.5176.4-66.8163.1000110.4L207 V208 Q213 I214 E215L207-I211 WeakPolarHBondContact O-CD1 3.39Å; L207-I211 VanDerWaalsContact O-CG1 3.24Å; L207-I211 WeakPolarHBondContact O-CG1 3.36Å; L207-I211 PolarHBondContact O-N 2.99Å; V208-I211 PolarHBondContact O-N 3.43Å; I211-Q213 VanDerWaalsContact C-N 3.3Å; I211-Q213 PolarHBondContact O-N 3.1Å; I211-I214 PolarHBondContact O-N 3.43Å; I211-E215 HydrophobicContact CG2-CG 4.14Å; I211-E215 WeakPolarHBondContact O-CB 3.43Å; I211-E215 PolarHBondContact O-N 3.42Å
212E87.2Confident74.8Confident134 Ų134110.7 Ų110.763%0.62663%0.63SS**Hα-helixtrans-62.9-35.1177.2-172.2170.6-163.200112.3V208 M209 I214 G216V208-E212 PolarHBondContact O-N 2.88Å; M209-E212 PolarHBondContact O-N 3.24Å; E212-I214 VanDerWaalsContact C-N 3.34Å; E212-G216 WeakPolarHBondContact O-CA 3.35Å; E212-G216 PolarHBondContact O-N 3.38Å
213Q82.3Confident72.4Confident154 Ų154113.1 Ų113.172%0.7264%0.644SS**Hα-helixtrans-68-31.8172.5-71.8176.66.300113.1M209 A210 I211M209-Q213 WeakPolarHBondContact O-CG 3.24Å; M209-Q213 PolarHBondContact O-N 3.43Å; M209-Q213 VanDerWaalsContact O-N 3.09Å; A210-Q213 PolarHBondContact O-N 3.31Å; I211-Q213 VanDerWaalsContact C-N 3.3Å; I211-Q213 PolarHBondContact O-N 3.1Å
214I79.9Confident70.2Confident141 Ų141110.9 Ų110.972%0.72365%0.65SS**Hα-helixtrans-77.1-39.2177-64.7164.2000110.8A210 I211 E212A210-I214 WeakPolarHBondContact O-CD1 3.35Å; A210-I214 VanDerWaalsContact O-CG1 3.3Å; A210-I214 WeakPolarHBondContact O-CG1 3.39Å; A210-I214 PolarHBondContact O-N 3.14Å; I211-I214 PolarHBondContact O-N 3.43Å; E212-I214 VanDerWaalsContact C-N 3.34Å
215E70.6Confident67.6Low163 Ų163113.9 Ų113.976%0.76266%0.662SS**Hα-helixtrans-83.8-28.3-178.3-68-177.3164.900112.9I211I211-E215 HydrophobicContact CG2-CG 4.14Å; I211-E215 WeakPolarHBondContact O-CB 3.43Å; I211-E215 PolarHBondContact O-N 3.42Å
216G61Low65.4Low66 Ų66113.5 Ų113.568%0.6867%0.67SS**SBendtrans-89.4-1.4-179.300000115.5E212 G218E212-G216 WeakPolarHBondContact O-CA 3.35Å; E212-G216 PolarHBondContact O-N 3.38Å; G216-G218 PolarHBondContact O-N 3.26Å
217G52.6Low63Low59 Ų59109.9 Ų109.961%0.60867%0.671SS**  trans-89.117.6-174.400000116.5A219G217-A219 PolarHBondContact O-N 3.48Å
218G45.7Very low60.5Low74 Ų74110.2 Ų110.276%0.76368%0.682SS**  trans-80.746-179.600000114.9G216 L220G216-G218 PolarHBondContact O-N 3.26Å; G218-L220 PolarHBondContact O-N 3.45Å
219A46.8Very low58.2Low91 Ų91114.6 Ų114.675%0.75270%0.696SS**  trans-90.490.617600000111G217G217-A219 PolarHBondContact O-N 3.48Å
220L48.8Very low55.9Low154 Ų154116.9 Ų116.981%0.80671%0.71SS**  trans34.290.9138.9-55.3175.6000116.8G218 V222G218-L220 PolarHBondContact O-N 3.45Å; L220-V222 HydrophobicContact CD2-CG2 4.48Å
221N42.7Very low54Low162 Ų162122.7 Ų122.787%0.86673%0.73SS**  trans-110.171.4149.9-152.910.6000108.6
222V40.2Very low52.2Low119 Ų119123.9 Ų123.972%0.72175%0.746SS**  trans-93.595.2168.4177.20000106.3L220L220-V222 HydrophobicContact CD2-CG2 4.48Å
223S39.1Very low50.2Low101 Ų101126.5 Ų126.571%0.70676%0.755SS**PPolyproline II helixtrans-93123.5166.9-174.70000108.7
224P43.3Very low48.5Very low116 Ų116124.4 Ų124.475%0.75376%0.758SS**PPolyproline II helixtrans-80.8126.6176.7-5.723.3000111.7
225Q41.7Very low46.9Very low168 Ų168124.2 Ų124.279%0.78576%0.764SS**PPolyproline II helixtrans-58.7168.9155.2-87.4-98.6-2.800110.9
226P44Very low45.6Very low124 Ų124120 Ų12081%0.80576%0.763SS**  cis-13915717.434-12000117.1
227G39.5Very low44.8Very low64 Ų64123.7 Ų123.766%0.6677%0.767SS**  trans-155.9107.917500000112.3
228S43.2Very low44.7Very low112 Ų112129.6 Ų129.678%0.78378%0.779SS**  trans-28.8129.6170.352.50000116.7
229H44.6Very low44.9Very low182 Ų182131 Ų13184%0.84378%0.777SS**  trans-161.4119.1132-125.7-85.6000110.6
230D42.4Very low45.5Very low142 Ų142132.4 Ų132.476%0.75978%0.779SS**  trans-63.5133.6166.7-59.8-67.2000110.1
231E50.3Low45.7Very low167 Ų167130.5 Ų130.578%0.7878%0.775SS**  trans-148.8110154.5-83.8-70.79200107.2
232S49.5Very low45.6Very low108 Ų108132.1 Ų132.176%0.75578%0.778SS**  trans-77.2130173.3-71.90000110.4
233F46.4Very low46.1Very low189 Ų189132.1 Ų132.183%0.82978%0.778SS**  trans-145.5100.6150.9-88.9-74.6000112.3
234S45.6Very low45.9Very low110 Ų110135.8 Ų135.877%0.76978%0.778SS**  trans36.5118.3132.7-155.10000120
235T46.2Very low45.8Very low138 Ų138141.2 Ų141.285%0.84778%0.784SS**  trans-51.1133.9161.648.60000113.2
236G43.5Very low46Very low73 Ų73140 Ų14075%0.75378%0.777SS**  trans-136.193.8166.600000109.3
237D45.3Very low45.6Very low144 Ų144139.6 Ų139.677%0.7778%0.777SS**  trans-82121.3171.2-1739.5000108.4
238H49.5Very low46.3Very low183 Ų183142.7 Ų142.785%0.84779%0.786SS**  trans-141.3100.9170-89.7-57.4000109.8
239S49.3Very low46.2Very low103 Ų103146.5 Ų146.572%0.7279%0.792SS**PPolyproline II helixtrans-67.2140159.7-66.90000110.7
240P61Low46.2Very low122 Ų122147 Ų14779%0.79279%0.794SS**PPolyproline II helixtrans-87.5150.6164.19.78.1000111.4
241P51.4Low46.1Very low114 Ų114147 Ų14774%0.7479%0.794SS**PPolyproline II helixtrans-81.5154.4-164.533.2-35.2000114T243P241-T243 PolarHBondContact O-N 3.14Å
242E41.3Very low45.4Very low195 Ų195148 Ų14891%0.91179%0.792SS**PPolyproline II helixtrans-59.4118.5164.6-71-166.7138.500111
243T51.3Low45.1Very low120 Ų120150.4 Ų150.474%0.73679%0.791SS**  trans-101.8103.7160.429.90000110P241P241-T243 PolarHBondContact O-N 3.14Å
244Y34.6Very low44.6Very low177 Ų177144.6 Ų144.669%0.69478%0.784SS**  trans-60.2121166.6-166.6-70.9000110.7H246Y244-H246 AromaticContact CD1-CD2 3.59Å; Y244-H246 AromaticContact CD1-NE2 3.76Å; Y244-H246 HydrophobicContact CE1-CB 4.32Å; Y244-H246 AromaticContact CE1-CD2 3.16Å; Y244-H246 WeakPolarHBondContact CE1-CD2 3.46Å; Y244-H246 AromaticContact CE1-CE1 3.2Å; Y244-H246 WeakPolarHBondContact CE1-CE1 3.24Å; Y244-H246 AromaticContact CE1-CG 3.39Å; Y244-H246 AromaticContact CE1-ND1 3.43Å; Y244-H246 WeakPolarHBondContact CE1-ND1 3.36Å; Y244-H246 AromaticContact CE1-NE2 3.04Å; Y244-H246 WeakPolarHBondContact CE1-NE2 3.35Å; Y244-H246 AromaticContact CZ-CE1 3.52Å; Y244-H246 AromaticContact CZ-ND1 3.99Å; Y244-H246 AromaticContact CZ-NE2 3.65Å; Y244-H246 PolarHBondContact OH-CE1 3.36Å
245W42.2Very low44.2Very low231 Ų231150.2 Ų150.288%0.87579%0.79SS**  trans-116.7107.8165.2-80.6103.5000109.6
246H44.6Very low43.9Very low142 Ų142148.2 Ų148.266%0.65779%0.788SS**PPolyproline II helixtrans-57.7130.4169.3-82-77.1000110.6Y244Y244-H246 AromaticContact CD1-CD2 3.59Å; Y244-H246 AromaticContact CD1-NE2 3.76Å; Y244-H246 HydrophobicContact CE1-CB 4.32Å; Y244-H246 AromaticContact CE1-CD2 3.16Å; Y244-H246 WeakPolarHBondContact CE1-CD2 3.46Å; Y244-H246 AromaticContact CE1-CE1 3.2Å; Y244-H246 WeakPolarHBondContact CE1-CE1 3.24Å; Y244-H246 AromaticContact CE1-CG 3.39Å; Y244-H246 AromaticContact CE1-ND1 3.43Å; Y244-H246 WeakPolarHBondContact CE1-ND1 3.36Å; Y244-H246 AromaticContact CE1-NE2 3.04Å; Y244-H246 WeakPolarHBondContact CE1-NE2 3.35Å; Y244-H246 AromaticContact CZ-CE1 3.52Å; Y244-H246 AromaticContact CZ-ND1 3.99Å; Y244-H246 AromaticContact CZ-NE2 3.65Å; Y244-H246 PolarHBondContact OH-CE1 3.36Å
247S37Very low43.7Very low115 Ų115155.8 Ų155.880%0.80480%0.796SS**PPolyproline II helixtrans-86.2135.2163.8-72.20000110.7
248P52.2Low43.8Very low129 Ų129154.9 Ų154.984%0.83880%0.795SS**PPolyproline II helixtrans-84.3130.9161.4-10.628.1000111.5
249Q41.5Very low43.1Very low193 Ų193154.2 Ų154.290%0.90280%0.798SS**PPolyproline II helixtrans-80.7123.8166.2-70.8176.8-45.300110.2
250E44.5Very low42.8Very low191 Ų191153.4 Ų153.489%0.89380%0.797SS**  trans-151.6102.5150.7-67-163.1164.500107.8
251N40.8Very low41.7Very low144 Ų144157 Ų15777%0.7780%0.803SS**  69.8106.392.8-106.310.6000117.2
252Y35.6Very low41.2Very low188 Ų188157.9 Ų157.974%0.73781%0.807SS**  trans75.3141.2136.4-88.7-82.7000125
253H43.6Very low41Very low157 Ų157154 Ų15473%0.72780%0.801SS**  trans82112.4160.2-55.7-35.2000116.2
254G36.7Very low40.4Very low67 Ų67155.9 Ų155.969%0.69181%0.807SS**  cis96.383.122.800000110.8
255Y37Very low40.6Very low228 Ų228156.4 Ų156.489%0.89482%0.816SS**  trans-143.8119.3161.4-74.4-75.8000109.9
256A40.2Very low40.5Very low97 Ų97154.4 Ų154.480%0.80281%0.813SS**  trans-86.4148.5166.100000109.2
257Y39.2Very low40.4Very low231 Ų231151.5 Ų151.591%0.90681%0.809SS**  trans-127.6142.1164.2-144.7-91000109.9
258V46Very low40.4Very low126 Ų126152.1 Ų152.176%0.76480%0.803SS**  trans-100.5146.5-160.9-145.80000109.8
259D35.6Very low40Very low168 Ų168154 Ų15490%0.89881%0.806SS**  trans-65.1142.3171.4-111.4-30.4000111.9
260A42.2Very low40Very low86 Ų86152 Ų15271%0.71180%0.801SS**  trans-129110.2170.800000110
261Q38.2Very low39.7Very low197 Ų197152.8 Ų152.892%0.92180%0.802SS**  trans-75.7129.5161.7-68-178.99.300109.2
262T42Very low39.7Very low133 Ų133149.6 Ų149.682%0.81680%0.796SS**  trans-136.8118.1160.755.30000110.6
263S36.9Very low40.2Very low113 Ų113148 Ų14879%0.7980%0.8SS**  trans-56.5140.2163.651.70000112.6
264N37.7Very low40.1Very low160 Ų160145.5 Ų145.586%0.85680%0.8SS**  trans-152112.7150.3-129.8-45.4000111.1
265Q37.9Very low40.7Very low188 Ų188150.5 Ų150.588%0.87981%0.81SS**  trans-79135.8165-71.8-174.39.300109.2
266K41.1Very low41Very low189 Ų189147.5 Ų147.582%0.82281%0.809SS**  trans-154.4100.1156.5-151.7141.1-177.1177.60113
267S41.5Very low41.2Very low82 Ų82150.4 Ų150.457%0.57381%0.81SS**  51.4124.6129.773.40000122.2
268N38.3Very low41.5Very low128 Ų128144.9 Ų144.968%0.68480%0.8SS**  trans78.4115.5132.3-54.9-11.4000119
269N44.5Very low41.3Very low167 Ų167145.1 Ų145.189%0.89381%0.805SS**  -162.9121.8101.9-84.4-34.9000110.9
270L40.6Very low42Very low153 Ų153143.7 Ų143.780%0.80180%0.802SS**  trans-73.5137.9167.6-80.783.8000109.5
271F38.1Very low42.3Very low206 Ų206144.6 Ų144.690%0.90480%0.803SS**  trans-134.4115.5144.6-124.4-90.1000107.6
272A41.2Very low42.3Very low78 Ų78143.8 Ų143.865%0.64580%0.799SS**  trans-94.4133.3176.200000108.1
273D45.9Very low42.6Very low154 Ų154144.9 Ų144.982%0.82480%0.798SS**  trans-144.891.1150.4-93.2-32.4000108.7
274S41.5Very low42.7Very low105 Ų105145.9 Ų145.973%0.73480%0.795SS**  trans3095131.4-158.10000117.9
275L49.3Very low42.9Very low172 Ų172143.2 Ų143.290%0.90179%0.786SS**  trans-149.5118.2131.5-75.7-171.8000108.9L277L275-L277 PolarHBondContact O-N 3.07Å
276L43.4Very low42.8Very low164 Ų164139.3 Ų139.386%0.85978%0.779SS**  trans-56.1125.1175.6-73.9155.4000111.2
277L44.2Very low42.5Very low159 Ų159137.7 Ų137.783%0.83278%0.779SS**  trans-175.6116.8131.3-112.198.4000109.2L275L275-L277 PolarHBondContact O-N 3.07Å
278T45.4Very low42.2Very low114 Ų114140.3 Ų140.370%0.69979%0.787SS**  trans43.4119.7156.454.50000120.3V280T278-V280 PolarHBondContact O-N 3.41Å
279P42.2Very low42Very low132 Ų132140.3 Ų140.386%0.85779%0.792SS**PPolyproline II helixtrans-78.3120.3173.332.6-29.4000110.2
280V49.9Very low41.6Very low138 Ų138137.2 Ų137.284%0.83678%0.783SS**PPolyproline II helixtrans-90.1127.6162.61710000107.6T278T278-V280 PolarHBondContact O-N 3.41Å
281S49.2Very low41.7Very low105 Ų105136.7 Ų136.773%0.73478%0.781SS**PPolyproline II helixtrans-46.9136.3-176-49.30000114I283S281-I283 PolarHBondContact O-N 3.09Å
282E37.5Very low41.6Very low180 Ų180133 Ų13384%0.84177%0.771SS**PPolyproline II helixtrans-52.6117.3168.1-66.8172.6152.600110.8
283I47.2Very low41.9Very low155 Ų155134.4 Ų134.480%0.79577%0.771SS**  trans-112.599.9157.3-60.2175.1000105.6S281 P285S281-I283 PolarHBondContact O-N 3.09Å; I283-P285 VanDerWaalsContact O-CD 3.31Å; I283-P285 WeakPolarHBondContact O-CD 3.48Å
284N40.1Very low41.7Very low134 Ų134134.4 Ų134.472%0.71777%0.766SS**  trans-66.5118.7164.6-85.4-55.4000108.7S286N284-S286 VanDerWaalsContact C-N 3.34Å; N284-S286 PolarHBondContact O-N 3.32Å
285P41.9Very low42Very low105 Ų105134.7 Ų134.768%0.68276%0.763SS**  trans-86.986.1157.825.6-9.8000107I283 L287I283-P285 VanDerWaalsContact O-CD 3.31Å; I283-P285 WeakPolarHBondContact O-CD 3.48Å; P285-L287 HydrophobicContact CB-CD1 4.31Å; P285-L287 PolarHBondContact O-N 2.95Å
286S35.6Very low42.1Very low105 Ų105133.5 Ų133.573%0.73475%0.753SS**  trans-67.583.6155520000107.3N284 N288N284-S286 VanDerWaalsContact C-N 3.34Å; N284-S286 PolarHBondContact O-N 3.32Å; S286-N288 PolarHBondContact O-N 3.25Å
287L35.7Very low42.4Very low156 Ų156131.1 Ų131.182%0.81774%0.741SS**  trans-83.8106.2165.1-107.7117.1000107.8P285 T289P285-L287 HydrophobicContact CB-CD1 4.31Å; P285-L287 PolarHBondContact O-N 2.95Å; L287-T289 PolarHBondContact O-N 3.34Å
288N33.6Very low43.1Very low137 Ų137126.6 Ų126.673%0.73372%0.72SS**  trans-45.9119.2169.8-71.7-24.1000110.7S286 S290S286-N288 PolarHBondContact O-N 3.25Å; N288-S290 PolarHBondContact O-N 3.32Å
289T35.4Very low43.9Very low128 Ų128129.2 Ų129.279%0.78573%0.725SS**  trans-62.592155.5-36.70000106.5L287 D291L287-T289 PolarHBondContact O-N 3.34Å; T289-D291 PolarHBondContact O-N 3.21Å
290S36Very low45.3Very low101 Ų101129.2 Ų129.271%0.70672%0.717SS**  trans-82.1105.9160.7-55.90000105.2N288 N292N288-S290 PolarHBondContact O-N 3.32Å; S290-N292 PolarHBondContact O-N 3.35Å
291D42.9Very low46.1Very low142 Ų142130.5 Ų130.576%0.75971%0.708SS**  trans-59.778.3160.4-71.5-44000108T289 V293T289-D291 PolarHBondContact O-N 3.21Å; D291-V293 PolarHBondContact O-N 3.16Å
292N36.5Very low47.2Very low130 Ų130129.3 Ų129.370%0.69570%0.698SS**  trans-79.779.7159.8-163.6-11.5000105.8S290 Q294S290-N292 PolarHBondContact O-N 3.35Å; N292-Q294 PolarHBondContact O-N 3.06Å
293V45.7Very low49Very low107 Ų107126.7 Ų126.765%0.64869%0.689SS**  trans-57.797.8154.1176.40000104.4D291 T295D291-V293 PolarHBondContact O-N 3.16Å; V293-T295 HydrophobicContact CG1-CG2 4.11Å; V293-T295 PolarHBondContact O-N 2.93Å
294Q42Very low50.2Low153 Ų153122.3 Ų122.372%0.71567%0.669SS**  trans-65.889.1167.6-170.3139.515.700106.3N292 H296N292-Q294 PolarHBondContact O-N 3.06Å; Q294-H296 PolarHBondContact O-N 3.36Å; Q294-H296 PolarHBondContact O-ND1 3.02Å; Q294-H296 VanDerWaalsContact O-ND1 3.08Å
295T47.5Very low51.6Low112 Ų112117.4 Ų117.469%0.68765%0.647SS**  trans-6186.3159.653.40000105.1V293 N297V293-T295 HydrophobicContact CG1-CG2 4.11Å; V293-T295 PolarHBondContact O-N 2.93Å; T295-N297 PolarHBondContact O-N 3.43Å
296H52Low53Low147 Ų147119.5 Ų119.568%0.68165%0.645SS**  trans-61.1107.7165.941.8-78.2000104.9Q294 T298Q294-H296 PolarHBondContact O-N 3.36Å; Q294-H296 PolarHBondContact O-ND1 3.02Å; Q294-H296 VanDerWaalsContact O-ND1 3.08Å; H296-T298 PolarHBondContact O-N 3.24Å
297N50Low54.8Low114 Ų114119.3 Ų119.361%0.6164%0.636SS**  trans-50118.6172.4-102.8-13.3000106.9T295 E299 D300T295-N297 PolarHBondContact O-N 3.43Å; N297-E299 PolarHBondContact O-N 3.06Å; N297-D300 PolarHBondContact O-N 2.89Å
298T58.2Low56.5Low64 Ų64117.7 Ų117.739%0.39363%0.627SS.*G310 helixtrans-64-7.5-177-40.50000111.8H296 D300 Y301 A305H296-T298 PolarHBondContact O-N 3.24Å; T298-D300 VanDerWaalsContact C-N 3.29Å; T298-D300 PolarHBondContact O-N 3.43Å; T298-Y301 CarbonylContact O-C 3.56Å; T298-Y301 PolarHBondContact O-N 3.05Å; T298-A305 HydrophobicContact CG2-CB 3.64Å
299E63.9Low58.4Low169 Ų169117.8 Ų117.879%0.7963%0.628SS**G310 helixtrans-63.6-28175.9-61.1-160.7155.700113.8N297 Y301N297-E299 PolarHBondContact O-N 3.06Å; E299-Y301 VanDerWaalsContact C-N 3.28Å; E299-Y301 PolarHBondContact O-N 3.24Å
300D70.5Confident60.2Low131 Ų131119.6 Ų119.670%0.70162%0.62SS**G310 helixtrans-76.1-14.5179.2-71.9-32.4000113.6N297 T298N297-D300 PolarHBondContact O-N 2.89Å; T298-D300 VanDerWaalsContact C-N 3.29Å; T298-D300 PolarHBondContact O-N 3.43Å
301Y66.9Low62.2Low165 Ų165120.3 Ų120.365%0.64762%0.622SS**  trans-133.977.4-179-74.5-87.2000111.2T298 E299 I303 V304 A305T298-Y301 CarbonylContact O-C 3.56Å; T298-Y301 PolarHBondContact O-N 3.05Å; E299-Y301 VanDerWaalsContact C-N 3.28Å; E299-Y301 PolarHBondContact O-N 3.24Å; Y301-I303 PolarHBondContact O-N 3.38Å; Y301-V304 HydrophobicContact CD1-CG2 4.44Å; Y301-V304 HydrophobicContact CG-CG2 4.3Å; Y301-V304 PolarHBondContact O-N 3.45Å; Y301-A305 PolarHBondContact O-N 3.44Å; Y301-A305 VanDerWaalsContact O-N 3.09Å
302P72.8Confident63.6Low81 Ų81119.1 Ų119.153%0.52662%0.615SS.*Hα-helixtrans-60-24.3-177.923.2-34.2000113.1K306P302-K306 WeakPolarHBondContact O-CB 3.5Å; P302-K306 VanDerWaalsContact O-CG 3.26Å; P302-K306 WeakPolarHBondContact O-CG 3.3Å; P302-K306 PolarHBondContact O-N 2.85Å; P302-K306 VanDerWaalsContact O-N 3.11Å
303I75.8Confident65.5Low125 Ų125116.3 Ų116.364%0.64160%0.603SS**Hα-helixtrans-69.7-39.7174.5-62.3171.4000111Y301 K306 L307Y301-I303 PolarHBondContact O-N 3.38Å; I303-K306 PolarHBondContact O-N 3.22Å; I303-L307 HydrophobicContact CG2-CD1 4Å; I303-L307 WeakPolarHBondContact O-CD1 3.45Å; I303-L307 WeakPolarHBondContact O-CG 3.15Å; I303-L307 PolarHBondContact O-N 3.43Å; I303-L307 VanDerWaalsContact O-N 3.12Å
304V70.9Confident66.8Low62 Ų62118.6 Ų118.638%0.37661%0.607SS.*Hα-helixtrans-71.1-40.4178.6-178.30000110Y301 K306 L307 L308Y301-V304 HydrophobicContact CD1-CG2 4.44Å; Y301-V304 HydrophobicContact CG-CG2 4.3Å; Y301-V304 PolarHBondContact O-N 3.45Å; V304-K306 VanDerWaalsContact C-N 3.31Å; V304-K306 PolarHBondContact O-N 3.39Å; V304-L307 PolarHBondContact O-N 3.09Å; V304-L308 HydrophobicContact CG1-CD1 3.83Å; V304-L308 HydrophobicContact CG1-CG 4.26Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 3.07Å
305A70.8Confident68.5Low31 Ų31118.6 Ų118.626%0.25660%0.604SS.*Hα-helixtrans-55.5-45.4171.500000112.1T298 Y301 L307 L308 N309T298-A305 HydrophobicContact CG2-CB 3.64Å; Y301-A305 PolarHBondContact O-N 3.44Å; Y301-A305 VanDerWaalsContact O-N 3.09Å; A305-L307 VanDerWaalsContact C-N 3.25Å; A305-L307 PolarHBondContact O-N 2.97Å; A305-L308 PolarHBondContact O-N 2.77Å; A305-N309 PolarHBondContact O-N 3.35Å; A305-N309 PolarHBondContact O-OD1 2.87Å
306K71.2Confident69.7Low150 Ų150120.9 Ų120.965%0.65260%0.601SS**Hα-helixtrans-67.3-22.9177.2-74.4176.2-178.5-176.90113.6P302 I303 V304 R310P302-K306 WeakPolarHBondContact O-CB 3.5Å; P302-K306 VanDerWaalsContact O-CG 3.26Å; P302-K306 WeakPolarHBondContact O-CG 3.3Å; P302-K306 PolarHBondContact O-N 2.85Å; P302-K306 VanDerWaalsContact O-N 3.11Å; I303-K306 PolarHBondContact O-N 3.22Å; V304-K306 VanDerWaalsContact C-N 3.31Å; V304-K306 PolarHBondContact O-N 3.39Å; K306-R310 WeakPolarHBondContact O-CD 3.35Å; K306-R310 VanDerWaalsContact O-CG 3.29Å; K306-R310 WeakPolarHBondContact O-CG 3.38Å
307L72.7Confident70.7Confident101 Ų101119 Ų11953%0.52960%0.596SS.*Hα-helixtrans-86.9-38.4178.1-79.2158.7000112.1I303 V304 A305I303-L307 HydrophobicContact CG2-CD1 4Å; I303-L307 WeakPolarHBondContact O-CD1 3.45Å; I303-L307 WeakPolarHBondContact O-CG 3.15Å; I303-L307 PolarHBondContact O-N 3.43Å; I303-L307 VanDerWaalsContact O-N 3.12Å; V304-L307 PolarHBondContact O-N 3.09Å; A305-L307 VanDerWaalsContact C-N 3.25Å; A305-L307 PolarHBondContact O-N 2.97Å
308L70.7Confident71.6Confident121 Ų121121.3 Ų121.363%0.63460%0.603SS**Hα-helixtrans-70.5-32.5178.8-72.3169.6000112.7V304 A305V304-L308 HydrophobicContact CG1-CD1 3.83Å; V304-L308 HydrophobicContact CG1-CG 4.26Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 3.07Å; A305-L308 PolarHBondContact O-N 2.77Å
309N73.6Confident72Confident140 Ų140129.1 Ų129.175%0.74963%0.625SS**THydrogen-bonded Turntrans-91.65.9-177.6-69.332.5000114A305A305-N309 PolarHBondContact O-N 3.35Å; A305-N309 PolarHBondContact O-OD1 2.87Å
310R73.2Confident72.3Confident166 Ų166126.5 Ų126.563%0.62662%0.623SS**SBendtrans-75.9126.8174.6-87.2166.9171.3175-3109.6K306 I312K306-R310 WeakPolarHBondContact O-CD 3.35Å; K306-R310 VanDerWaalsContact O-CG 3.29Å; K306-R310 WeakPolarHBondContact O-CG 3.38Å; R310-I312 PolarHBondContact O-N 3.34Å
311P78.4Confident72.1Confident116 Ų116128.8 Ų128.875%0.75363%0.629SS**PPolyproline II helixtrans-53.1127.5173.8-23.131.6000110.1P313P311-P313 VanDerWaalsContact O-CD 3.27Å; P311-P313 WeakPolarHBondContact O-CD 3.44Å
312I73.4Confident72Confident117 Ų117126.8 Ų126.860%0.663%0.634SS**PPolyproline II helixtrans-63.4120.2173.5-59.3173.6000106.8R310 H314 L317R310-I312 PolarHBondContact O-N 3.34Å; I312-H314 PolarHBondContact O-N 2.77Å; I312-L317 HydrophobicContact CB-CD1 4.01Å; I312-L317 HydrophobicContact CG2-CD1 3.62Å
313P75.7Confident72Confident70 Ų70128 Ų12846%0.45564%0.639SS.*PPolyproline II helixtrans-57.2128.9-178.3-24.132.6000110.8P311 K315 Y316P311-P313 VanDerWaalsContact O-CD 3.27Å; P311-P313 WeakPolarHBondContact O-CD 3.44Å; P313-K315 HydrophobicContact CB-CG 4.17Å; P313-K315 PolarHBondContact O-N 2.88Å; P313-Y316 HydrophobicContact CB-CD2 3.8Å; P313-Y316 HydrophobicContact CB-CE2 3.97Å; P313-Y316 HydrophobicContact CG-CD2 3.98Å; P313-Y316 HydrophobicContact CG-CE2 3.92Å; P313-Y316 PolarHBondContact O-N 3.05Å
314H72.5Confident71.8Confident156 Ų156127.5 Ų127.572%0.72264%0.642SS**G310 helixtrans-51.8-25.1-176.2-78.3-82.3000114.6I312 Y316 L317I312-H314 PolarHBondContact O-N 2.77Å; H314-Y316 PolarHBondContact O-N 3.02Å; H314-L317 PolarHBondContact O-N 3.29Å
315K78Confident71.4Confident153 Ų153131.3 Ų131.367%0.66566%0.66SS**G310 helixtrans-59.7-22.7174.173.1-174.8-175.5-173.40114P313P313-K315 HydrophobicContact CB-CG 4.17Å; P313-K315 PolarHBondContact O-N 2.88Å
316Y73.5Confident71.3Confident160 Ų160135.2 Ų135.263%0.62769%0.685SS**G310 helixtrans-96-9.6176.5-57.2-68.9000113.4P313 H314 H318P313-Y316 HydrophobicContact CB-CD2 3.8Å; P313-Y316 HydrophobicContact CB-CE2 3.97Å; P313-Y316 HydrophobicContact CG-CD2 3.98Å; P313-Y316 HydrophobicContact CG-CE2 3.92Å; P313-Y316 PolarHBondContact O-N 3.05Å; H314-Y316 PolarHBondContact O-N 3.02Å; Y316-H318 VanDerWaalsContact C-N 3.32Å
317L71.7Confident71.1Confident107 Ų107133.7 Ų133.756%0.5669%0.694SS**  trans-83.7-6.2176.8-108.176.5000113.3I312 H314 R319I312-L317 HydrophobicContact CB-CD1 4.01Å; I312-L317 HydrophobicContact CG2-CD1 3.62Å; H314-L317 PolarHBondContact O-N 3.29Å; L317-R319 VanDerWaalsContact C-N 3.27Å; L317-R319 PolarHBondContact O-N 3.32Å
318H70.3Confident70.6Confident163 Ų163141.1 Ų141.176%0.75573%0.725SS**  trans-69.388.7171.4-85.551000109.5Y316 P320Y316-H318 VanDerWaalsContact C-N 3.32Å; H318-P320 WeakPolarHBondContact O-CD 3.38Å
319R66.5Low70.6Confident228 Ų228142.1 Ų142.186%0.8673%0.73SS**  trans-58.7124.5159.6-111.3-179.6-177.7-1700.8107L317 Q321L317-R319 VanDerWaalsContact C-N 3.27Å; L317-R319 PolarHBondContact O-N 3.32Å; R319-Q321 PolarHBondContact O-N 3.32Å; R319-Q321 VanDerWaalsContact O-N 3.1Å
320P68.5Low70.4Confident114 Ų114142.2 Ų142.274%0.7473%0.729SS**  trans-54121.5165-19.130.2000107.5H318 V322H318-P320 WeakPolarHBondContact O-CD 3.38Å; P320-V322 PolarHBondContact O-N 2.93Å; P320-V322 VanDerWaalsContact O-N 3.07Å
321Q66.6Low70.3Confident178 Ų178140.9 Ų140.983%0.83273%0.734SS**  trans-65.1112.7166.7-71.8-153.4-8.300106.8R319 V323R319-Q321 PolarHBondContact O-N 3.32Å; R319-Q321 VanDerWaalsContact O-N 3.1Å; Q321-V323 VanDerWaalsContact C-N 3.31Å; Q321-V323 PolarHBondContact O-N 3.01Å
322V64.3Low69.8Low123 Ų123142.4 Ų142.475%0.74573%0.733SS**  trans-71.397.7165.8177.60000105.4P320 V324P320-V322 PolarHBondContact O-N 2.93Å; P320-V322 VanDerWaalsContact O-N 3.07Å; V322-V324 HydrophobicContact CG1-CG1 4.29Å; V322-V324 PolarHBondContact O-N 2.92Å; V322-V324 VanDerWaalsContact O-N 3.1Å
323V72.9Confident69.6Low107 Ų107143.9 Ų143.965%0.64874%0.742SS**  trans-70.9102.8169.8-1730000106.4Q321 N325Q321-V323 VanDerWaalsContact C-N 3.31Å; Q321-V323 PolarHBondContact O-N 3.01Å; V323-N325 WeakPolarHBondContact CG1-OD1 3.29Å; V323-N325 PolarHBondContact O-N 3.16Å
324V72.9Confident69.2Low115 Ų115148.9 Ų148.970%0.69776%0.761SS**  trans-78.799.7167.1-81.70000107.7V322 S326V322-V324 HydrophobicContact CG1-CG1 4.29Å; V322-V324 PolarHBondContact O-N 2.92Å; V322-V324 VanDerWaalsContact O-N 3.1Å; V324-S326 PolarHBondContact O-N 3.47Å
325N60.9Low68.9Low142 Ų142148.4 Ų148.476%0.75976%0.764SS**  trans-66.8100.4170.1-71.50.4000108.1V323 S327V323-N325 WeakPolarHBondContact CG1-OD1 3.29Å; V323-N325 PolarHBondContact O-N 3.16Å; N325-S327 PolarHBondContact O-N 3.29Å
326S70Confident68.2Low112 Ų112148 Ų14878%0.78377%0.771SS**  trans-83.291.6167.1-57.60000107.2V324 H328V324-S326 PolarHBondContact O-N 3.47Å; S326-H328 PolarHBondContact O-N 3.3Å
327S66.8Low67.8Low119 Ų119147 Ų14783%0.83278%0.783SS**  trans-74114.7166.9470000108.2N325N325-S327 PolarHBondContact O-N 3.29Å
328H62.1Low67.5Low256 Ų256150.6 Ų150.6100%1.18580%0.803SS**  trans-103.80170.9-140.8-48.6000110.1S326S326-H328 PolarHBondContact O-N 3.3Å

Retrieved 328 of 328 residues in 178.3 ms (Link to these results)