A0A077YX27_TRITR Loading...

Calponin domain containing protein

AlphaFold DB , UniProt , Accession A0A077YX27, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 351 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
1M47.9Very low71.5Confident245 Ų245118.8 Ų118.8100%1.20760%0.599SS**  0124.20-66.5175.8-166.400107.5
2S67.5Low71.1Confident117 Ų117112.1 Ų112.182%0.81858%0.581SS**PPolyproline II helixtrans-66.5139.417446.80000109.3
3K76.2Confident70.4Confident193 Ų193107.2 Ų107.284%0.83958%0.576SS**PPolyproline II helixtrans-61.4133.9171.4-76178.9176.3178.10108.7
4P77.8Confident69.8Low108 Ų108109.5 Ų109.570%0.70158%0.581SS**PPolyproline II helixtrans-62.8145.717326.6-32.9000109.9
5W73.6Confident69.3Low158 Ų158108.1 Ų108.160%0.59859%0.591SS**PPolyproline II helixtrans-68.7140178.6-67.888.8000110.6Q9 L10W5-Q9 HydrophobicContact CE3-CB 3.92Å; W5-Q9 HydrophobicContact CZ3-CB 4.48Å; W5-L10 HydrophobicContact CB-CD1 4.16Å; W5-L10 HydrophobicContact CB-CD2 3.91Å; W5-L10 HydrophobicContact CB-CG 3.86Å; W5-L10 HydrophobicContact CG-CD2 4.23Å
6T77.5Confident68.5Low72 Ų72109.4 Ų109.444%0.44260%0.595SS.*PPolyproline II helixtrans-78148.8173.460.30000110.3E8 Q9 L10T6-E8 PolarHBondContact O-N 3.38Å; T6-Q9 WeakPolarHBondContact O-CB 3.45Å; T6-Q9 PolarHBondContact O-N 2.96Å; T6-Q9 VanDerWaalsContact OG1-CG 3.26Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.46Å; T6-L10 PolarHBondContact O-N 3.47Å; T6-L10 VanDerWaalsContact O-N 3.1Å
7Y77Confident67.9Low42 Ų42111.1 Ų111.117%0.16560%0.603CS.*Hα-helixtrans-53.9-38.3179.5179.4-108000112.5Q9 L10 N11 Y284 R288 W291Y7-Q9 VanDerWaalsContact C-N 3.35Å; Y7-Q9 PolarHBondContact O-N 3.06Å; Y7-L10 PolarHBondContact O-N 2.88Å; Y7-N11 VanDerWaalsContact O-CB 3.28Å; Y7-N11 WeakPolarHBondContact O-CB 3.47Å; Y7-N11 PolarHBondContact O-N 3.05Å; Y7-Y284 HydrophobicContact CD2-CE2 4.25Å; Y7-Y284 AromaticContact CE2-CE2 3.86Å; Y7-Y284 HydrophobicContact CE2-CE2 3.86Å; Y7-Y284 AromaticContact CE2-CZ 3.84Å; Y7-R288 HydrophobicContact CD2-CB 3.96Å; Y7-R288 HydrophobicContact CD2-CG 4.41Å; Y7-R288 HydrophobicContact CE2-CB 3.95Å; Y7-R288 HydrophobicContact CE2-CG 4Å; Y7-W291 HydrophobicContact CD1-CB 4.05Å; Y7-W291 AromaticContact CD1-CD1 3.97Å; Y7-W291 AromaticContact CD1-CD2 3.73Å; Y7-W291 HydrophobicContact CD1-CD2 3.73Å; Y7-W291 HydrophobicContact CD1-CE3 4.2Å; Y7-W291 AromaticContact CD1-CG 3.63Å; Y7-W291 HydrophobicContact CD1-CG 3.63Å; Y7-W291 HydrophobicContact CE1-CD2 4.11Å; Y7-W291 HydrophobicContact CE1-CE3 4.15Å; Y7-W291 HydrophobicContact CE1-CG 4.45Å; Y7-W291 HydrophobicContact CG-CB 4.09Å; Y7-W291 HydrophobicContact CG-CG 4.16Å
8E73.6Confident67.4Low136 Ų136108.3 Ų108.364%0.63659%0.593SS**Hα-helixtrans-62.7-38176.2-67.5176.4178.400112.9T6 G12T6-E8 PolarHBondContact O-N 3.38Å; E8-G12 PolarHBondContact O-N 3.08Å
9Q73.4Confident66.8Low112 Ų112111.8 Ų111.852%0.52361%0.61SS.*Hα-helixtrans-68.9-41176-72.7172.7-15.100111.7W5 T6 Y7 N11W5-Q9 HydrophobicContact CE3-CB 3.92Å; W5-Q9 HydrophobicContact CZ3-CB 4.48Å; T6-Q9 WeakPolarHBondContact O-CB 3.45Å; T6-Q9 PolarHBondContact O-N 2.96Å; T6-Q9 VanDerWaalsContact OG1-CG 3.26Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.46Å; Y7-Q9 VanDerWaalsContact C-N 3.35Å; Y7-Q9 PolarHBondContact O-N 3.06Å; Q9-N11 VanDerWaalsContact C-N 3.35Å
10L71.7Confident65.9Low67 Ų67113.2 Ų113.235%0.35161%0.612SS.*Hα-helixtrans-66-39.4176.4-67.6172.4000111.3W5 T6 Y7 Y284 A287W5-L10 HydrophobicContact CB-CD1 4.16Å; W5-L10 HydrophobicContact CB-CD2 3.91Å; W5-L10 HydrophobicContact CB-CG 3.86Å; W5-L10 HydrophobicContact CG-CD2 4.23Å; T6-L10 PolarHBondContact O-N 3.47Å; T6-L10 VanDerWaalsContact O-N 3.1Å; Y7-L10 PolarHBondContact O-N 2.88Å; L10-Y284 HydrophobicContact CB-CD2 4.41Å; L10-Y284 HydrophobicContact CD1-CD2 4.13Å; L10-A287 HydrophobicContact CD1-CB 4.28Å
11N70Confident65.5Low57 Ų57111.2 Ų111.231%0.30560%0.603SS.*Hα-helixtrans-76.9-27.7-179.6-162.231.9000113.1Y7 Q9 G13 Q14Y7-N11 VanDerWaalsContact O-CB 3.28Å; Y7-N11 WeakPolarHBondContact O-CB 3.47Å; Y7-N11 PolarHBondContact O-N 3.05Å; Q9-N11 VanDerWaalsContact C-N 3.35Å; N11-G13 PolarHBondContact O-N 3.21Å; N11-G13 VanDerWaalsContact O-N 3.09Å; N11-Q14 WeakPolarHBondContact O-CB 3.49Å; N11-Q14 PolarHBondContact O-N 3.41Å; N11-Q14 PolarHBondContact OD1-OE1 3.2Å
12G66.6Low65.8Low38 Ų38102.3 Ų102.339%0.39257%0.574SS.*Hα-helixtrans-56.7-26.9178.800000114E8 Q14E8-G12 PolarHBondContact O-N 3.08Å; G12-Q14 VanDerWaalsContact C-N 3.29Å; G12-Q14 PolarHBondContact O-N 3.38Å
13G61.8Low65.4Low49 Ų49101.1 Ų101.151%0.50556%0.563SS.*Hα-helixtrans-67.8-22.4174.600000114.6N11 A15 I16N11-G13 PolarHBondContact O-N 3.21Å; N11-G13 VanDerWaalsContact O-N 3.09Å; G13-A15 VanDerWaalsContact C-N 3.34Å; G13-A15 PolarHBondContact O-N 3.34Å; G13-I16 PolarHBondContact O-N 3.1Å
14Q62.7Low64.7Low139 Ų13996.9 Ų96.965%0.6555%0.549SS*.Hα-helixtrans-71.5-29.2-178.3-64-168.82.200112.9N11 G12N11-Q14 WeakPolarHBondContact O-CB 3.49Å; N11-Q14 PolarHBondContact O-N 3.41Å; N11-Q14 PolarHBondContact OD1-OE1 3.2Å; G12-Q14 VanDerWaalsContact C-N 3.29Å; G12-Q14 PolarHBondContact O-N 3.38Å
15A61.9Low63.7Low88 Ų88100.3 Ų100.373%0.72755%0.553SS**Hα-helixtrans-79.7-20177.100000112.8G13 L17G13-A15 VanDerWaalsContact C-N 3.34Å; G13-A15 PolarHBondContact O-N 3.34Å; A15-L17 PolarHBondContact O-N 2.91Å
16I57.4Low63Low130 Ų13099.9 Ų99.967%0.66756%0.556SS**  trans-89.597.4-176.9-58.8173.9000109G13 S18G13-I16 PolarHBondContact O-N 3.1Å; I16-S18 PolarHBondContact O-N 2.76Å
17L57.2Low62.2Low138 Ų13898.4 Ų98.472%0.72355%0.55SS**  trans-71.1108.9169.4-65.6179.2000108.9A15 T21A15-L17 PolarHBondContact O-N 2.91Å; L17-T21 HydrophobicContact CB-CG2 4.46Å; L17-T21 WeakPolarHBondContact CB-OG1 3.45Å; L17-T21 HydrophobicContact CD2-CG2 4.16Å
18S59Low61.3Low60 Ų6099.8 Ų99.842%0.4257%0.567SS.*  trans-62.3154.4176.669.70000110.7I16 Q20 T21I16-S18 PolarHBondContact O-N 2.76Å; S18-Q20 PolarHBondContact O-N 2.98Å; S18-T21 WeakPolarHBondContact O-CB 3.15Å; S18-T21 PolarHBondContact O-N 3.43Å; S18-T21 PolarHBondContact O-OG1 3.4Å
19L55.7Low60.8Low175 Ų175100.9 Ų100.992%0.91657%0.571SS**THydrogen-bonded Turntrans-54-20.1177.5-159.482.4000113.1T21L19-T21 PolarHBondContact O-N 3.14Å
20Q50.3Low60.1Low140 Ų140102.7 Ų102.765%0.65458%0.578SS**THydrogen-bonded Turntrans-70.9-14.8174.8-62.4179.4-30.600113.9S18 G22S18-Q20 PolarHBondContact O-N 2.98Å; Q20-G22 PolarHBondContact O-N 3.4Å
21T56.5Low59.5Low71 Ų71102.1 Ų102.144%0.43659%0.588SS.*SBendtrans-74.675.7168.954.40000109L17 S18 L19 T23L17-T21 HydrophobicContact CB-CG2 4.46Å; L17-T21 WeakPolarHBondContact CB-OG1 3.45Å; L17-T21 HydrophobicContact CD2-CG2 4.16Å; S18-T21 WeakPolarHBondContact O-CB 3.15Å; S18-T21 PolarHBondContact O-N 3.43Å; S18-T21 PolarHBondContact O-OG1 3.4Å; L19-T21 PolarHBondContact O-N 3.14Å; T21-T23 PolarHBondContact O-N 2.68Å
22G55.4Low59.1Low58 Ų58103.3 Ų103.360%0.59859%0.593SS**  trans-47.4135.8-177.100000112.6Q20Q20-G22 PolarHBondContact O-N 3.4Å
23T58.3Low58.8Low93 Ų93106.6 Ų106.657%0.57161%0.606SS**  trans-71.6135.5-176.174.70000110.8T21 K25T21-T23 PolarHBondContact O-N 2.68Å; T23-K25 PolarHBondContact O-N 3.28Å
24N61.9Low58.7Low104 Ų104107.2 Ų107.256%0.55661%0.606SS**G310 helixtrans-80.57177.6-155.528000113.9F26 A27N24-F26 PolarHBondContact O-N 3.25Å; N24-F26 VanDerWaalsContact O-N 3.13Å; N24-A27 PolarHBondContact O-N 2.95Å; N24-A27 WeakPolarHBondContact OD1-CB 3.34Å
25K56.7Low58.5Low179 Ų179111.2 Ų111.278%0.77862%0.621SS**G310 helixtrans-62.7-24.1-169.8-171.3176-76.4-173.90113.6T23T23-K25 PolarHBondContact O-N 3.28Å
26F59.5Low58.2Low150 Ų150110.4 Ų110.466%0.65862%0.622SS**G310 helixtrans-112.510.7-177.8-49.8-68.5000113.6N24N24-F26 PolarHBondContact O-N 3.25Å; N24-F26 VanDerWaalsContact O-N 3.13Å
27A59.1Low58.2Low40 Ų40109.1 Ų109.133%0.33161%0.614SS.*  trans-79.9136.1-177.400000112N24N24-A27 PolarHBondContact O-N 2.95Å; N24-A27 WeakPolarHBondContact OD1-CB 3.34Å
28S59Low58Low72 Ų72108.5 Ų108.550%0.50362%0.618SS.*  trans-78.4129.8176178.10000110.7K30S28-K30 PolarHBondContact O-N 2.72Å; S28-K30 VanDerWaalsContact OG-CB 3.25Å; S28-K30 WeakPolarHBondContact OG-CB 3.28Å; S28-K30 PolarHBondContact OG-N 3.19Å
29Q63Low57.8Low158 Ų158114 Ų11474%0.73863%0.63SS**  trans-71-2.8173.4-163.9174.826.100112.9G31 M32Q29-G31 PolarHBondContact O-N 3.04Å; Q29-M32 HydrophobicContact CB-SD 4.4Å; Q29-M32 HydrophobicContact CG-CB 4.2Å; Q29-M32 HydrophobicContact CG-CG 4.31Å; Q29-M32 HydrophobicContact CG-SD 3.87Å; Q29-M32 WeakPolarHBondContact O-CB 3.48Å; Q29-M32 PolarHBondContact O-N 3.33Å; Q29-M32 VanDerWaalsContact O-N 3.11Å
30K57.3Low57.6Low150 Ų150109.6 Ų109.665%0.65262%0.619SS**THydrogen-bonded Turntrans-63.6118.1-176.4-168.3176.3-179.8-179.30110.6S28S28-K30 PolarHBondContact O-N 2.72Å; S28-K30 VanDerWaalsContact OG-CB 3.25Å; S28-K30 WeakPolarHBondContact OG-CB 3.28Å; S28-K30 PolarHBondContact OG-N 3.19Å
31G60Low57.9Low55 Ų55109.9 Ų109.957%0.56763%0.625SS**THydrogen-bonded Turntrans91.15.1-179.300000115Q29Q29-G31 PolarHBondContact O-N 3.04Å
32M62.2Low57.8Low82 Ų82111 Ų11140%0.40463%0.627SS.*PPolyproline II helixtrans-77.1142.9168.1-62.7-173.57500110.3Q29 A34Q29-M32 HydrophobicContact CB-SD 4.4Å; Q29-M32 HydrophobicContact CG-CB 4.2Å; Q29-M32 HydrophobicContact CG-CG 4.31Å; Q29-M32 HydrophobicContact CG-SD 3.87Å; Q29-M32 WeakPolarHBondContact O-CB 3.48Å; Q29-M32 PolarHBondContact O-N 3.33Å; Q29-M32 VanDerWaalsContact O-N 3.11Å; M32-A34 PolarHBondContact O-N 3.35Å
33T59.8Low57.7Low108 Ų108111.7 Ų111.766%0.66362%0.623SS**PPolyproline II helixtrans-62.6132.2169.941.70000109.5M37T33-M37 HydrophobicContact CG2-CE 4.34Å; T33-M37 HydrophobicContact CG2-SD 4.3Å
34A59.2Low57.3Low62 Ų62116.8 Ų116.851%0.51263%0.632SS.*PPolyproline II helixtrans-61.1151.4-17900000110.7M32 G36 M37M32-A34 PolarHBondContact O-N 3.35Å; A34-G36 PolarHBondContact O-N 2.94Å; A34-M37 HydrophobicContact CB-CG 4.08Å; A34-M37 HydrophobicContact CB-SD 3.92Å; A34-M37 PolarHBondContact N-SD 2.78Å; A34-M37 PolarHBondContact O-N 3.44Å
35F59.9Low56.8Low222 Ų222114 Ų11497%0.97462%0.618SS**THydrogen-bonded Turntrans-54.2124.3174.8-174.8-93.8000109.8
36G54.7Low57.2Low71 Ų71114 Ų11473%0.73263%0.627SS**THydrogen-bonded Turntrans90.4-2.4-178.700000116.2A34A34-G36 PolarHBondContact O-N 2.94Å
37M57.8Low57.4Low103 Ų103111.3 Ų111.351%0.50763%0.627SS.*PPolyproline II helixtrans-65.4132.1170.2-75.418072.300110.3T33 A34 R39T33-M37 HydrophobicContact CG2-CE 4.34Å; T33-M37 HydrophobicContact CG2-SD 4.3Å; A34-M37 HydrophobicContact CB-CG 4.08Å; A34-M37 HydrophobicContact CB-SD 3.92Å; A34-M37 PolarHBondContact N-SD 2.78Å; A34-M37 PolarHBondContact O-N 3.44Å; M37-R39 PolarHBondContact O-N 3.48Å
38P52.8Low57.4Low125 Ų125112.1 Ų112.181%0.81264%0.639SS**PPolyproline II helixtrans-60.3127.2177.224.1-31.7000109.3
39R54.9Low56.8Low175 Ų175112.7 Ų112.766%0.6664%0.639SS**PPolyproline II helixtrans-78.2124.1178.9-61.8-177.9-177.5-172.30.2107.8M37 N41M37-R39 PolarHBondContact O-N 3.48Å; R39-N41 VanDerWaalsContact C-N 3.3Å; R39-N41 PolarHBondContact O-N 3.39Å
40A52Low56.6Low83 Ų83111 Ų11169%0.68663%0.63SS**  trans-70.393.5168.500000107.7I42A40-I42 HydrophobicContact CB-CD1 3.99Å; A40-I42 HydrophobicContact CB-CG1 3.83Å; A40-I42 PolarHBondContact O-N 3.13Å
41N55.8Low56.7Low147 Ų147107.5 Ų107.579%0.78662%0.618SS**  trans-71.675.5168.4-78-11.4000107.9R39 S43R39-N41 VanDerWaalsContact C-N 3.3Å; R39-N41 PolarHBondContact O-N 3.39Å; N41-S43 PolarHBondContact O-N 3.49Å
42I54.5Low56.5Low95 Ų95111.9 Ų111.949%0.48762%0.623SS.*  trans-83.794.1176.2-55.9176.5000106.9A40 F50A40-I42 HydrophobicContact CB-CD1 3.99Å; A40-I42 HydrophobicContact CB-CG1 3.83Å; A40-I42 PolarHBondContact O-N 3.13Å; I42-F50 HydrophobicContact CB-CE2 4.12Å; I42-F50 HydrophobicContact CD1-CE2 4.01Å; I42-F50 HydrophobicContact CG1-CE2 3.83Å; I42-F50 HydrophobicContact CG2-CD2 3.38Å; I42-F50 HydrophobicContact CG2-CE2 3.36Å
43S52.7Low56.5Low71 Ų71111.7 Ų111.750%0.49763%0.629SS.*PPolyproline II helixtrans-71.7132.616242.70000108.4N41N41-S43 PolarHBondContact O-N 3.49Å
44R50.5Low56.7Low201 Ų201112.4 Ų112.476%0.75863%0.628SS**BIsolated β-bridgetrans-99.2135.5170.6-66.1-179.8176.4169.7-2.7107.2
45T51.2Low56.9Low45 Ų45116.5 Ų116.528%0.27663%0.63SS.*PPolyproline II helixtrans-68160167.527.60000110.6S47 G48 T49 L51T45-S47 PolarHBondContact O-N 2.83Å; T45-S47 VanDerWaalsContact O-N 3.16Å; T45-S47 PolarHBondContact OG1-OG 3.31Å; T45-G48 WeakPolarHBondContact O-CA 3.36Å; T45-G48 PolarHBondContact O-N 2.96Å; T45-T49 PolarHBondContact N-O 3.31Å; T45-T49 PolarHBondContact OG1-O 3.36Å; T45-T49 PolarHBondContact OG1-OG1 3.31Å; T45-L51 HydrophobicContact CG2-CD1 3.8Å; T45-L51 HydrophobicContact CG2-CD2 3.76Å; T45-L51 HydrophobicContact CG2-CG 3.67Å
46D64.7Low57.2Low180 Ų180114 Ų11496%0.96362%0.619SS**THydrogen-bonded Turntrans-58.2-27.4177.2-69.6-24.6000113G48D46-G48 PolarHBondContact O-N 3.16Å
47S64.5Low57.6Low93 Ų93112.7 Ų112.765%0.6561%0.606SS**THydrogen-bonded Turntrans-75.50.517356.60000114.1T45 T49T45-S47 PolarHBondContact O-N 2.83Å; T45-S47 VanDerWaalsContact O-N 3.16Å; T45-S47 PolarHBondContact OG1-OG 3.31Å; S47-T49 PolarHBondContact O-N 2.94Å; S47-T49 PolarHBondContact OG-OG1 3.37Å; S47-T49 VanDerWaalsContact OG-OG1 3.14Å
48G58Low57.9Low57 Ų57113.9 Ų113.959%0.58861%0.611SS**SBendtrans76.73.8178.300000114.8T45 D46T45-G48 WeakPolarHBondContact O-CA 3.36Å; T45-G48 PolarHBondContact O-N 2.96Å; D46-G48 PolarHBondContact O-N 3.16Å
49T47.3Very low58.4Low84 Ų84111.2 Ų111.252%0.51561%0.606SS.*  trans-78.7152.3174.849.80000111.6T45 S47 L51T45-T49 PolarHBondContact N-O 3.31Å; T45-T49 PolarHBondContact OG1-O 3.36Å; T45-T49 PolarHBondContact OG1-OG1 3.31Å; S47-T49 PolarHBondContact O-N 2.94Å; S47-T49 PolarHBondContact OG-OG1 3.37Å; S47-T49 VanDerWaalsContact OG-OG1 3.14Å; T49-L51 PolarHBondContact O-N 2.71Å
50F58.2Low58.8Low121 Ų121108.8 Ų108.853%0.53161%0.605SS.*BIsolated β-bridgetrans-74.8120.9175.7176.4-100.7000108.5I42 E52I42-F50 HydrophobicContact CB-CE2 4.12Å; I42-F50 HydrophobicContact CD1-CE2 4.01Å; I42-F50 HydrophobicContact CG1-CE2 3.83Å; I42-F50 HydrophobicContact CG2-CD2 3.38Å; I42-F50 HydrophobicContact CG2-CE2 3.36Å; F50-E52 HydrophobicContact CD1-CB 4.49Å; F50-E52 HydrophobicContact CE1-CB 4.36Å; F50-E52 HydrophobicContact CE1-CG 4.4Å; F50-E52 PolarHBondContact O-N 2.75Å
51L59.2Low59.1Low78 Ų78109.4 Ų109.441%0.40860%0.599SS.*  trans-70.9110165.8-78.5155000106.9T45 T49 P53T45-L51 HydrophobicContact CG2-CD1 3.8Å; T45-L51 HydrophobicContact CG2-CD2 3.76Å; T45-L51 HydrophobicContact CG2-CG 3.67Å; T49-L51 PolarHBondContact O-N 2.71Å; L51-P53 WeakPolarHBondContact O-CD 3.49Å
52E56.5Low59.2Low146 Ų146106 Ų10668%0.68259%0.585SS**  trans-63119.8169.5-157.7170.6-170.800107.7F50 D54F50-E52 HydrophobicContact CD1-CB 4.49Å; F50-E52 HydrophobicContact CE1-CB 4.36Å; F50-E52 HydrophobicContact CE1-CG 4.4Å; F50-E52 PolarHBondContact O-N 2.75Å; E52-D54 PolarHBondContact O-N 3.5Å
53P61.9Low59.5Low79 Ų79106 Ų10651%0.51360%0.6SS.*  trans-62.5135.4178.724.2-31.2000108.7L51 R55L51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-R55 WeakPolarHBondContact O-CG 3.07Å; P53-R55 PolarHBondContact O-N 3.07Å
54D63.6Low59.7Low123 Ų123111.8 Ų111.866%0.65862%0.619SS**  trans-60.2104.9-180-173.910.1000110.3E52 K56E52-D54 PolarHBondContact O-N 3.5Å; D54-K56 PolarHBondContact O-N 3.49Å; D54-K56 WeakPolarHBondContact OD1-CB 3.25Å; D54-K56 WeakPolarHBondContact OD1-CD 3.38Å; D54-K56 WeakPolarHBondContact OD1-CG 3.37Å; D54-K56 PolarHBondContact OD1-N 3.38Å
55R64.8Low60.1Low147 Ų147105.1 Ų105.156%0.55560%0.603SS**G310 helixtrans-80.9-0.2-174.5-50.9-172.574.8-175.5-6.4112.6P53 G57 E58P53-R55 WeakPolarHBondContact O-CG 3.07Å; P53-R55 PolarHBondContact O-N 3.07Å; R55-G57 PolarHBondContact O-N 2.86Å; R55-G57 VanDerWaalsContact O-N 3.1Å; R55-E58 HydrophobicContact CB-CG 4.31Å; R55-E58 IonicContact CZ-OE1 3.49Å; R55-E58 IonicContact CZ-OE2 2.88Å; R55-E58 IonicContact NE-OE1 3.47Å; R55-E58 PolarHBondContact NE-OE1 3.31Å; R55-E58 IonicContact NE-OE2 3.71Å; R55-E58 PolarHBondContact NE-OE2 2.7Å; R55-E58 IonicContact NH2-OE1 2.89Å; R55-E58 PolarHBondContact NH2-OE1 3.28Å; R55-E58 IonicContact NH2-OE2 3.23Å; R55-E58 PolarHBondContact NH2-OE2 2.87Å; R55-E58 PolarHBondContact O-N 3.07Å
56K65.8Low60.3Low169 Ų169106.3 Ų106.374%0.73562%0.624SS**G310 helixtrans-56.9-26.7177.5-71.2175.3-174.2-179.60112.8D54D54-K56 PolarHBondContact O-N 3.49Å; D54-K56 WeakPolarHBondContact OD1-CB 3.25Å; D54-K56 WeakPolarHBondContact OD1-CD 3.38Å; D54-K56 WeakPolarHBondContact OD1-CG 3.37Å; D54-K56 PolarHBondContact OD1-N 3.38Å
57G63.5Low60.1Low45 Ų45101.5 Ų101.546%0.46460%0.601SS.*G310 helixtrans-81.5-15.4176.900000115.9R55 G59 I60R55-G57 PolarHBondContact O-N 2.86Å; R55-G57 VanDerWaalsContact O-N 3.1Å; G57-G59 PolarHBondContact O-N 2.86Å; G57-G59 VanDerWaalsContact O-N 3.16Å; G57-I60 PolarHBondContact O-N 2.97Å
58E63.9Low60Low128 Ų128103.4 Ų103.460%0.59860%0.604SS**THydrogen-bonded Turntrans-64.4-24-174.4-70.1-178.1-17000112.8R55R55-E58 HydrophobicContact CB-CG 4.31Å; R55-E58 IonicContact CZ-OE1 3.49Å; R55-E58 IonicContact CZ-OE2 2.88Å; R55-E58 IonicContact NE-OE1 3.47Å; R55-E58 PolarHBondContact NE-OE1 3.31Å; R55-E58 IonicContact NE-OE2 3.71Å; R55-E58 PolarHBondContact NE-OE2 2.7Å; R55-E58 IonicContact NH2-OE1 2.89Å; R55-E58 PolarHBondContact NH2-OE1 3.28Å; R55-E58 IonicContact NH2-OE2 3.23Å; R55-E58 PolarHBondContact NH2-OE2 2.87Å; R55-E58 PolarHBondContact O-N 3.07Å
59G63.3Low60Low69 Ų69111 Ų11171%0.71162%0.615SS**THydrogen-bonded Turntrans-91.6-11.7175.700000115G57 V61G57-G59 PolarHBondContact O-N 2.86Å; G57-G59 VanDerWaalsContact O-N 3.16Å; G59-V61 PolarHBondContact O-N 3.47Å
60I62.1Low60.7Low124 Ų124116.2 Ų116.264%0.63663%0.631SS**  trans-9497.6-176.4-56.2173.8000107.4G57 P62G57-I60 PolarHBondContact O-N 2.97Å; I60-P62 WeakPolarHBondContact O-CD 3.45Å
61V58.5Low60.9Low95 Ų95113.9 Ų113.958%0.57663%0.634SS**  trans-80.6102.4170.7-179.50000107G59 C65G59-V61 PolarHBondContact O-N 3.47Å; V61-C65 HydrophobicContact CG1-CB 4.21Å; V61-C65 WeakPolarHBondContact CG1-SG 3.44Å
62P58.8Low61.2Low75 Ų75114.3 Ų114.349%0.48764%0.644SS.*  trans-60.1142.1176.324.2-33.3000109.7I60 Q64 C65I60-P62 WeakPolarHBondContact O-CD 3.45Å; P62-Q64 PolarHBondContact O-N 3.34Å; P62-C65 PolarHBondContact O-N 2.89Å; P62-C65 PolarHBondContact O-SG 3.12Å
63A59.8Low61.7Low96 Ų96114.2 Ų114.279%0.79364%0.643SS**THydrogen-bonded Turntrans-54.2-18-173.400000115C65A63-C65 VanDerWaalsContact C-N 3.32Å; A63-C65 PolarHBondContact O-N 3.39Å
64Q58.1Low61.9Low192 Ų192119.9 Ų119.990%0.89766%0.659SS**THydrogen-bonded Turntrans-65.8-27.5174.6-69.5-175.3-28.600114.1P62 G66P62-Q64 PolarHBondContact O-N 3.34Å; Q64-G66 PolarHBondContact O-N 3.33Å
65C58.8Low62Low62 Ų62117.8 Ų117.842%0.41967%0.667SS.*SBendtrans-86.792.1167.829.50000108.2V61 P62 A63 T67V61-C65 HydrophobicContact CG1-CB 4.21Å; V61-C65 WeakPolarHBondContact CG1-SG 3.44Å; P62-C65 PolarHBondContact O-N 2.89Å; P62-C65 PolarHBondContact O-SG 3.12Å; A63-C65 VanDerWaalsContact C-N 3.32Å; A63-C65 PolarHBondContact O-N 3.39Å; C65-T67 PolarHBondContact O-N 3.46Å
66G54.8Low62.1Low70 Ų70116.7 Ų116.772%0.72267%0.672SS**  trans-39.4123.7-176.400000113Q64Q64-G66 PolarHBondContact O-N 3.33Å
67T60.6Low62.1Low79 Ų79112 Ų11249%0.48566%0.661SS.*  trans-72.1132.2-177.370.60000110.1C65 R69C65-T67 PolarHBondContact O-N 3.46Å; T67-R69 PolarHBondContact O-N 3Å
68N62.3Low62.5Low133 Ų133113.9 Ų113.971%0.71166%0.664SS**G310 helixtrans-837.2175.368-17.6000112.9F70 A71N68-F70 PolarHBondContact O-N 3.4Å; N68-F70 VanDerWaalsContact O-N 3.1Å; N68-A71 HydrophobicContact CB-CB 4.03Å; N68-A71 WeakPolarHBondContact O-CB 3.19Å; N68-A71 PolarHBondContact O-N 3.21Å
69R58.8Low62.9Low216 Ų216117 Ų11782%0.81568%0.676SS**G310 helixtrans-59.2-25.3-177.7-70.6-175.1-175.2167.42.1113.1T67T67-R69 PolarHBondContact O-N 3Å
70F60.9Low62.9Low193 Ų193121.2 Ų121.285%0.84668%0.679SS**G310 helixtrans-112.79.7175.9-50.7-68.4000113.1N68 S72N68-F70 PolarHBondContact O-N 3.4Å; N68-F70 VanDerWaalsContact O-N 3.1Å; F70-S72 PolarHBondContact O-N 3.42Å
71A63Low63.1Low72 Ų72118.3 Ų118.360%0.59567%0.667SS**  trans-75.8110.3178.300000109.8N68N68-A71 HydrophobicContact CB-CB 4.03Å; N68-A71 WeakPolarHBondContact O-CB 3.19Å; N68-A71 PolarHBondContact O-N 3.21Å
72S65.2Low63.4Low88 Ų88123.6 Ų123.662%0.61568%0.683SS**  trans-65.2131.7175-177.70000111F70 K74F70-S72 PolarHBondContact O-N 3.42Å; S72-K74 PolarHBondContact O-N 3.11Å; S72-K74 VanDerWaalsContact OG-CB 3.23Å; S72-K74 WeakPolarHBondContact OG-CB 3.3Å; S72-K74 PolarHBondContact OG-N 3.05Å
73Q67.6Low63.7Low144 Ų144129.6 Ų129.667%0.67370%0.696SS**  trans-70.8-3.2172.1-163.5178.119.300112.8G75 L76Q73-G75 PolarHBondContact O-N 2.8Å; Q73-L76 HydrophobicContact CG-CB 4.1Å; Q73-L76 HydrophobicContact CG-CD1 4.17Å; Q73-L76 PolarHBondContact O-N 3.22Å
74K65.1Low63.7Low197 Ų197129 Ų12986%0.85768%0.684SS**THydrogen-bonded Turntrans-62.6111.8-177-166.8177.3-178.2179.10110.3S72S72-K74 PolarHBondContact O-N 3.11Å; S72-K74 VanDerWaalsContact OG-CB 3.23Å; S72-K74 WeakPolarHBondContact OG-CB 3.3Å; S72-K74 PolarHBondContact OG-N 3.05Å
75G65.6Low64.1Low80 Ų80127.7 Ų127.783%0.82568%0.683SS**THydrogen-bonded Turntrans101.3-4.8-178.900000115.1Q73Q73-G75 PolarHBondContact O-N 2.8Å
76L67.7Low64Low123 Ų123131.3 Ų131.364%0.64470%0.697SS**PPolyproline II helixtrans-81.3136171-67.3174.7000110.3Q73Q73-L76 HydrophobicContact CG-CB 4.1Å; Q73-L76 HydrophobicContact CG-CD1 4.17Å; Q73-L76 PolarHBondContact O-N 3.22Å
77S66.5Low64Low72 Ų72133.2 Ų133.250%0.50370%0.698SS.*PPolyproline II helixtrans-66.6133.5178.9-45.50000110.2T81S77-T81 WeakPolarHBondContact CB-OG1 3.26Å
78P71.1Confident63.9Low83 Ų83139.4 Ų139.454%0.53971%0.712SS.*PPolyproline II helixtrans-61.3153.9-175.217.9-25.1000111.9M80 T81P78-M80 PolarHBondContact O-N 2.91Å; P78-T81 HydrophobicContact CG-CG2 3.69Å; P78-T81 PolarHBondContact O-N 3.44Å; P78-T81 PolarHBondContact O-OG1 3.08Å
79F71.4Confident63.9Low193 Ų193141.4 Ų141.485%0.84672%0.719SS**THydrogen-bonded Turntrans-50.6133.6177.8-170-105.6000109.5
80M64.2Low63.9Low159 Ų159140 Ų14078%0.78372%0.719SS**THydrogen-bonded Turntrans78.83.2-174.1-50-64.2-76.900118P78P78-M80 PolarHBondContact O-N 2.91Å
81T67.2Low63.8Low62 Ų62135.7 Ų135.738%0.3871%0.705SS.*  trans-80.7137.1172.450.10000112.8S77 P78 R83S77-T81 WeakPolarHBondContact CB-OG1 3.26Å; P78-T81 HydrophobicContact CG-CG2 3.69Å; P78-T81 PolarHBondContact O-N 3.44Å; P78-T81 PolarHBondContact O-OG1 3.08Å; T81-R83 PolarHBondContact O-N 2.95Å; T81-R83 VanDerWaalsContact O-N 3.13Å
82F63Low63.5Low206 Ų206140.2 Ų140.290%0.90471%0.712SS**  trans-58.7114.6177.3-65.4-84.6000110.4P84F82-P84 WeakPolarHBondContact O-CD 3.43Å
83R65.5Low63.4Low201 Ų201144.3 Ų144.376%0.75873%0.727SS**  trans-86.2114.4171.5-62-176-175.4178.41.3107.8T81 N85T81-R83 PolarHBondContact O-N 2.95Å; T81-R83 VanDerWaalsContact O-N 3.13Å; R83-N85 PolarHBondContact O-N 3.21Å; R83-N85 VanDerWaalsContact O-N 3.12Å
84P60.4Low63Low83 Ų83141.2 Ų141.254%0.53973%0.733SS.*  trans-63.5119.1170.125.1-30.3000107.9F82 I86F82-P84 WeakPolarHBondContact O-CD 3.43Å; P84-I86 PolarHBondContact O-N 3.41Å
85N65.6Low62.4Low166 Ų166141 Ų14189%0.88873%0.727SS**SBendtrans-641.7176.5-93.36.2000113.7R83R83-N85 PolarHBondContact O-N 3.21Å; R83-N85 VanDerWaalsContact O-N 3.12Å
86I57Low61.9Low138 Ų138145.6 Ų145.671%0.70873%0.727SS**SBendtrans-92.5111.8-179.6-55.4174000107.1P84 R88P84-I86 PolarHBondContact O-N 3.41Å; I86-R88 PolarHBondContact O-N 2.82Å
87C54.8Low61.2Low110 Ų110142 Ų14274%0.74371%0.709SS**  trans-51.4114.6166.8-70.40000108.2M89C87-M89 VanDerWaalsContact C-N 3.34Å; C87-M89 PolarHBondContact O-N 2.89Å
88R58.7Low60.7Low208 Ų208142 Ų14279%0.78571%0.712SS**  trans-69.697.7171.5-60.3-168.5-161.5-163.56.4107I86 K90I86-R88 PolarHBondContact O-N 2.82Å; R88-K90 PolarHBondContact O-N 2.6Å
89M61.9Low59.9Low175 Ų175140.9 Ų140.986%0.86271%0.707SS**  trans-66.5113.3167-69.5-177.7174.200106.7C87C87-M89 VanDerWaalsContact C-N 3.34Å; C87-M89 PolarHBondContact O-N 2.89Å
90K59.8Low59Low186 Ų186139.2 Ų139.281%0.80970%0.702SS**PPolyproline II helixtrans-97124.5162.1-70.3-174.2177.1-175.40105.7R88R88-K90 PolarHBondContact O-N 2.6Å
91D57.5Low58.5Low103 Ų103136.4 Ų136.455%0.55170%0.698SS**PPolyproline II helixtrans-63.3144.2172.3-63.1-36.5000108.9N97D91-N97 PolarHBondContact OD2-ND2 3.21Å
92K58.3Low57.7Low168 Ų168138.9 Ų138.973%0.7371%0.708SS**PPolyproline II helixtrans-68.5136.7178.4-70.7-179.8179.7178.10108.7G94 W95K92-G94 PolarHBondContact O-N 2.65Å; K92-W95 WeakPolarHBondContact O-CB 3.28Å; K92-W95 PolarHBondContact O-N 3.41Å
93D62.5Low57Low174 Ų174134 Ų13493%0.9370%0.697SS**THydrogen-bonded Turntrans-53.5124.8177.2-61.6-41000110.3
94G60.2Low56.6Low79 Ų79129.9 Ų129.981%0.81469%0.686SS**THydrogen-bonded Turntrans94.7-3.9-177.500000115.9K92 Q96K92-G94 PolarHBondContact O-N 2.65Å; G94-Q96 PolarHBondContact O-N 2.87Å
95W51Low56.4Low193 Ų193129 Ų12973%0.73169%0.686SS**  trans-82.193.7166.9-96.454.4000110.1K92 N97K92-W95 WeakPolarHBondContact O-CB 3.28Å; K92-W95 PolarHBondContact O-N 3.41Å; W95-N97 PolarHBondContact O-N 3.39Å
96Q55.8Low56Low176 Ų176125.8 Ų125.882%0.82268%0.676SS**  trans-70.297.8165.4-98.6148.6-5.700108.9G94 A98G94-Q96 PolarHBondContact O-N 2.87Å; Q96-A98 PolarHBondContact O-N 3.16Å
97N51.8Low56.1Low47 Ų47126.4 Ų126.425%0.25168%0.676SS.*  trans-62.5122.6169.2-65.5-27.4000107.6D91 W95 S99 E100D91-N97 PolarHBondContact OD2-ND2 3.21Å; W95-N97 PolarHBondContact O-N 3.39Å; N97-S99 WeakPolarHBondContact CB-OG 3.29Å; N97-S99 PolarHBondContact O-N 2.85Å; N97-E100 PolarHBondContact O-N 3.18Å
98A56.6Low56.6Low71 Ų71125.3 Ų125.359%0.58768%0.675SS**G310 helixtrans-52.7-14.3177.500000113.4Q96 E100 S101 L102Q96-A98 PolarHBondContact O-N 3.16Å; A98-E100 VanDerWaalsContact C-N 3.27Å; A98-E100 PolarHBondContact O-N 3.25Å; A98-S101 PolarHBondContact O-N 3.45Å; A98-S101 PolarHBondContact O-OG 3.03Å; A98-L102 PolarHBondContact O-N 3.03Å
99S53.8Low56.7Low60 Ų60120.5 Ų120.542%0.4267%0.669SS.*G310 helixtrans-64.5-17.317358.40000115.6N97 S101N97-S99 WeakPolarHBondContact CB-OG 3.29Å; N97-S99 PolarHBondContact O-N 2.85Å; S99-S101 VanDerWaalsContact C-N 3.31Å
100E54.1Low56.9Low159 Ų159118.5 Ų118.574%0.74366%0.66SS**G310 helixtrans-76.2-24172.4-68.5-174.7-179.700112N97 A98N97-E100 PolarHBondContact O-N 3.18Å; A98-E100 VanDerWaalsContact C-N 3.27Å; A98-E100 PolarHBondContact O-N 3.25Å
101S52.8Low57Low99 Ų99113.7 Ų113.769%0.69265%0.648SS**THydrogen-bonded Turntrans-93.7-15.5176.472.80000114A98 S99 P103A98-S101 PolarHBondContact O-N 3.45Å; A98-S101 PolarHBondContact O-OG 3.03Å; S99-S101 VanDerWaalsContact C-N 3.31Å; S101-P103 WeakPolarHBondContact O-CD 3.37Å
102L50.7Low57Low115 Ų115116.7 Ų116.760%0.60266%0.661SS**SBendtrans-81.7104172.1-77.6146.5000106.8A98 Q104A98-L102 PolarHBondContact O-N 3.03Å; L102-Q104 PolarHBondContact O-N 3.39Å; L102-Q104 VanDerWaalsContact O-N 3.08Å
103P48.5Very low57.1Low102 Ų102118 Ų11866%0.66267%0.669SS**  trans-54.3126.9178.923.2-32.5000107.7S101 A105S101-P103 WeakPolarHBondContact O-CD 3.37Å; P103-A105 HydrophobicContact CB-CB 4.39Å; P103-A105 PolarHBondContact O-N 3.48Å
104Q57Low57.1Low115 Ų115113 Ų11354%0.53765%0.652SS.*G310 helixtrans-53.111.6173.1-10286.722.800114.6L102 S106 Q107L102-Q104 PolarHBondContact O-N 3.39Å; L102-Q104 VanDerWaalsContact O-N 3.08Å; Q104-S106 PolarHBondContact O-N 3.25Å; Q104-S106 VanDerWaalsContact O-N 3.11Å; Q104-Q107 HydrophobicContact CG-CG 4.28Å; Q104-Q107 WeakPolarHBondContact O-CB 3.44Å; Q104-Q107 PolarHBondContact O-N 3.3Å
105A55.2Low56.9Low65 Ų65112.1 Ų112.154%0.53764%0.643SS.*G310 helixtrans-50.7-32.3176.900000113.4P103 Q107 A108P103-A105 HydrophobicContact CB-CB 4.39Å; P103-A105 PolarHBondContact O-N 3.48Å; A105-Q107 VanDerWaalsContact C-N 3.31Å; A105-Q107 PolarHBondContact O-N 3.1Å; A105-A108 PolarHBondContact O-N 3.37Å
106S57.6Low57.5Low98 Ų98106.8 Ų106.869%0.68563%0.632SS**G310 helixtrans-72.4-19.5177.561.80000114.1Q104 A108 V109Q104-S106 PolarHBondContact O-N 3.25Å; Q104-S106 VanDerWaalsContact O-N 3.11Å; S106-A108 VanDerWaalsContact C-N 3.28Å; S106-A108 PolarHBondContact O-N 3.28Å; S106-V109 PolarHBondContact O-N 2.9Å
107Q59.5Low57.9Low151 Ų151103.5 Ų103.571%0.70662%0.62SS**G310 helixtrans-74-21.2177.3-63.2-170.8-1.200112.6Q104 A105Q104-Q107 HydrophobicContact CG-CG 4.28Å; Q104-Q107 WeakPolarHBondContact O-CB 3.44Å; Q104-Q107 PolarHBondContact O-N 3.3Å; A105-Q107 VanDerWaalsContact C-N 3.31Å; A105-Q107 PolarHBondContact O-N 3.1Å
108A64.8Low58.3Low87 Ų87109.5 Ų109.572%0.71964%0.644SS**SBendtrans-88.7-12.9176.600000113.3A105 S106 I110A105-A108 PolarHBondContact O-N 3.37Å; S106-A108 VanDerWaalsContact C-N 3.28Å; S106-A108 PolarHBondContact O-N 3.28Å; A108-I110 PolarHBondContact O-N 3.44Å
109V61.6Low58.5Low108 Ų108115.1 Ų115.166%0.65566%0.656SS**  trans-96.690.6-178.2-176.30000109.2S106 P111S106-V109 PolarHBondContact O-N 2.9Å; V109-P111 WeakPolarHBondContact O-CD 3.43Å
110I65Low58.8Low132 Ų132115.1 Ų115.168%0.67766%0.659SS**  trans-78.4115.4171.4-59.7174.8000107.7A108 M112 A114A108-I110 PolarHBondContact O-N 3.44Å; I110-M112 PolarHBondContact O-N 2.95Å; I110-A114 HydrophobicContact CG2-CB 3.46Å; I110-A114 VanDerWaalsContact CG2-CB 3.46Å
111P62.3Low59Low86 Ų86113.8 Ų113.856%0.55866%0.662SS**  trans-62139.3178.724.7-32.2000110V109 Q113 A114V109-P111 WeakPolarHBondContact O-CD 3.43Å; P111-Q113 PolarHBondContact O-N 2.93Å; P111-A114 WeakPolarHBondContact O-CB 3.48Å; P111-A114 PolarHBondContact O-N 2.96Å
112M57.6Low59.3Low166 Ų166116.6 Ų116.682%0.81866%0.664SS**G310 helixtrans-55.7-20.6-174.1-166.8-179.35900113.9I110 A114 G115 T116I110-M112 PolarHBondContact O-N 2.95Å; M112-A114 PolarHBondContact O-N 3.18Å; M112-G115 PolarHBondContact O-N 3.42Å; M112-T116 HydrophobicContact CG-CG2 4.27Å
113Q60.3Low59.6Low194 Ų194114.9 Ų114.991%0.90767%0.674SS**G310 helixtrans-60.7-19.5171-83.6-177.4-24.100114.2P111 G115P111-Q113 PolarHBondContact O-N 2.93Å; Q113-G115 PolarHBondContact O-N 2.91Å; Q113-G115 VanDerWaalsContact O-N 3.15Å
114A63Low60Low69 Ų69118 Ų11857%0.5769%0.686SS**G310 helixtrans-72.5-0.3177.800000113.9I110 P111 M112I110-A114 HydrophobicContact CG2-CB 3.46Å; I110-A114 VanDerWaalsContact CG2-CB 3.46Å; P111-A114 WeakPolarHBondContact O-CB 3.48Å; P111-A114 PolarHBondContact O-N 2.96Å; M112-A114 PolarHBondContact O-N 3.18Å
115G56Low59.9Low61 Ų61115 Ų11563%0.62969%0.685SS**  trans78.8124.3178.700000111.5M112 Q113M112-G115 PolarHBondContact O-N 3.42Å; Q113-G115 PolarHBondContact O-N 2.91Å; Q113-G115 VanDerWaalsContact O-N 3.15Å
116T64.2Low60Low82 Ų82117 Ų11750%0.50369%0.69SS.*  trans-93.8129.4179.598.10000109.1M112 K118M112-T116 HydrophobicContact CG-CG2 4.27Å; T116-K118 PolarHBondContact O-N 3.44Å
117N64.4Low60.3Low106 Ų106117.9 Ų117.957%0.56769%0.691SS**  trans-85.133.6173.1-166.36.3000112.7F119 A120N117-F119 PolarHBondContact O-N 3.35Å; N117-F119 VanDerWaalsContact O-N 3.17Å; N117-A120 WeakPolarHBondContact OD1-CA 3.36Å; N117-A120 WeakPolarHBondContact OD1-CB 3.36Å; N117-A120 PolarHBondContact OD1-N 2.94Å; N117-A120 VanDerWaalsContact OD1-N 3.1Å
118K59.5Low60.2Low174 Ų174119 Ų11976%0.75770%0.7SS**SBendtrans-67.1-15.5-177.3-79.9-176.2176.8-179.50113.6T116T116-K118 PolarHBondContact O-N 3.44Å
119F60.1Low59.7Low189 Ų189118.8 Ų118.883%0.82971%0.707SS**SBendtrans-125.72.6-176-55.8-65.9000115.2N117 T121N117-F119 PolarHBondContact O-N 3.35Å; N117-F119 VanDerWaalsContact O-N 3.17Å; F119-T121 PolarHBondContact O-N 3.4Å
120A60.8Low59.5Low59 Ų59116 Ų11649%0.48870%0.695SS.*  trans-77.1114.2170.700000109.8N117 Q122N117-A120 WeakPolarHBondContact OD1-CA 3.36Å; N117-A120 WeakPolarHBondContact OD1-CB 3.36Å; N117-A120 PolarHBondContact OD1-N 2.94Å; N117-A120 VanDerWaalsContact OD1-N 3.1Å; A120-Q122 PolarHBondContact O-N 3.09Å; A120-Q122 VanDerWaalsContact O-N 3.07Å
121T58.3Low59.2Low131 Ų131119.9 Ų119.980%0.80470%0.701SS**  trans-59.7106.7167.346.90000109.1F119 G123F119-T121 PolarHBondContact O-N 3.4Å; T121-G123 PolarHBondContact O-N 2.91Å; T121-G123 VanDerWaalsContact O-N 3.1Å
122Q59.6Low59.2Low159 Ų159126.1 Ų126.174%0.74371%0.714SS**G310 helixtrans-69.72.5174.1-67.8-173.2-3.900113.3A120 D124 G125A120-Q122 PolarHBondContact O-N 3.09Å; A120-Q122 VanDerWaalsContact O-N 3.07Å; Q122-D124 PolarHBondContact O-N 3.16Å; Q122-G125 PolarHBondContact O-N 3.23Å
123G57.2Low59.3Low79 Ų79124.2 Ų124.281%0.81471%0.707SS**G310 helixtrans-60.2-19.5-175.100000115.1T121T121-G123 PolarHBondContact O-N 2.91Å; T121-G123 VanDerWaalsContact O-N 3.1Å
124D55.3Low59.4Low168 Ų168123.6 Ų123.690%0.89870%0.704SS**G310 helixtrans-121.614.1174.5-129.33.1000112.6Q122 V126Q122-D124 PolarHBondContact O-N 3.16Å; D124-V126 PolarHBondContact O-N 3.3Å
125G56.8Low59Low51 Ų51125.2 Ų125.253%0.52671%0.71SS.*  trans-85.1109.8-179.400000111.5Q122 V127Q122-G125 PolarHBondContact O-N 3.23Å; G125-V127 PolarHBondContact O-N 3.42Å
126V57.1Low59Low107 Ų107127.7 Ų127.765%0.64871%0.713SS**PPolyproline II helixtrans-49.7122.7175.2177.40000110.9D124 A130D124-V126 PolarHBondContact O-N 3.3Å; V126-A130 HydrophobicContact CG1-CB 3.57Å
127V63.3Low58.6Low116 Ų116133.2 Ų133.270%0.70373%0.725SS**PPolyproline II helixtrans-49.8136.5178174.10000110.8G125 G129 A130G125-V127 PolarHBondContact O-N 3.42Å; V127-G129 PolarHBondContact O-N 3.26Å; V127-G129 VanDerWaalsContact O-N 3.11Å; V127-A130 WeakPolarHBondContact O-CB 3.32Å; V127-A130 PolarHBondContact O-N 2.72Å
128I56.7Low58.1Low175 Ų175133.3 Ų133.390%0.89773%0.729SS**THydrogen-bonded Turntrans-52.7118.4177.8-61177.4000109.1
129G53.7Low57.4Low83 Ų83134.7 Ų134.786%0.85673%0.729SS**THydrogen-bonded Turntrans99.9-6.7-178.200000115.5V127V127-G129 PolarHBondContact O-N 3.26Å; V127-G129 VanDerWaalsContact O-N 3.11Å
130A58.2Low56.7Low49 Ų49128 Ų12841%0.40571%0.714SS.*  trans-75.8139.617500000112.1V126 V127 R132V126-A130 HydrophobicContact CG1-CB 3.57Å; V127-A130 WeakPolarHBondContact O-CB 3.32Å; V127-A130 PolarHBondContact O-N 2.72Å; A130-R132 PolarHBondContact O-N 3.12Å
131R59.6Low56Low214 Ų214137.2 Ų137.281%0.80874%0.736SS**  trans-53.2124.1-177.267.5-174.8-176.8-89.1-0.8111.4N133R131-N133 PolarHBondContact O-N 2.81Å
132R61.7Low55.6Low216 Ų216137.7 Ų137.782%0.81573%0.733SS**  trans-82.198174.5-59.1176.278.41754.8107.6A130 Q134A130-R132 PolarHBondContact O-N 3.12Å; R132-Q134 PolarHBondContact O-N 3.06Å; R132-Q134 VanDerWaalsContact O-N 3.11Å
133N60.5Low55.2Low126 Ų126135.7 Ų135.767%0.67473%0.733SS**  trans-65.4113.2171.6-90.54000108.4R131 C135R131-N133 PolarHBondContact O-N 2.81Å; N133-C135 PolarHBondContact O-N 3.17Å
134Q62.5Low54.8Low182 Ų182141.1 Ų141.185%0.8574%0.735SS**SBendtrans-65.2-15.7-177-68.8-69.3-16.300113.6R132R132-Q134 PolarHBondContact O-N 3.06Å; R132-Q134 VanDerWaalsContact O-N 3.11Å
135C53.5Low54.5Low102 Ų102137.5 Ų137.569%0.68972%0.715SS**SBendtrans-99.4124.5177.1-169.70000109.8N133 R137N133-C135 PolarHBondContact O-N 3.17Å; C135-R137 PolarHBondContact O-N 3.33Å; C135-R137 VanDerWaalsContact O-N 3.15Å
136T56.8Low54.4Low114 Ų114144.2 Ų144.270%0.69973%0.725SS**  trans-55.7116.7172.248.20000109.1V138T136-V138 VanDerWaalsContact C-N 3.31Å; T136-V138 PolarHBondContact O-N 3.41Å
137R55.3Low54.3Low198 Ų198149 Ų14975%0.74773%0.731SS**  trans-7188.5176.9-177.6175.554.3-177.8-6.6109C135 R139C135-R137 PolarHBondContact O-N 3.33Å; C135-R137 VanDerWaalsContact O-N 3.15Å; R137-R139 PolarHBondContact O-N 3.35Å
138V53Low53.6Low107 Ų107147.1 Ų147.165%0.64872%0.723SS**  trans-6795.9174.9-176.40000108.3T136 G140T136-V138 VanDerWaalsContact C-N 3.31Å; T136-V138 PolarHBondContact O-N 3.41Å; V138-G140 PolarHBondContact O-N 3.08Å
139R45.8Very low53.6Low204 Ų204145.2 Ų145.277%0.7771%0.71SS**  trans-81.4108.7167-80.9-173.3-176.5154.5-1.6107.7R137R137-R139 PolarHBondContact O-N 3.35Å
140G44.5Very low53.7Low49 Ų49148.5 Ų148.551%0.50571%0.708SS.*SBendtrans147.6125.9175.300000109.7V138 L142V138-G140 PolarHBondContact O-N 3.08Å; G140-L142 PolarHBondContact O-N 3.21Å
141R45.8Very low53.2Low252 Ų252150.9 Ų150.995%0.95172%0.718SS**  trans-70.270.3175.7-65.5-94.6-157.8-94-1.6108.7
142L50Low52.7Low141 Ų141145.4 Ų145.474%0.73870%0.703SS**  trans-71126.6166.2-9297.4000107.6G140 K144G140-L142 PolarHBondContact O-N 3.21Å; L142-K144 PolarHBondContact O-N 3.01Å
143P51.6Low52Low116 Ų116139.6 Ų139.675%0.75369%0.693SS**  trans-52.7137175.2-21.231.1000108.9D145P143-D145 PolarHBondContact O-N 3.1Å
144K48.3Very low51.4Low194 Ų194142.5 Ų142.584%0.84370%0.701SS**  trans-62.980178.5-74.7-176.1174.3-175.80109.8L142 R146L142-K144 PolarHBondContact O-N 3.01Å; K144-R146 PolarHBondContact O-N 3.05Å; K144-R146 VanDerWaalsContact O-N 3.08Å
145D48.9Very low50.7Low92 Ų92143.4 Ų143.449%0.49271%0.705SS.*  trans-74.996.8166.7-170.2-0.4000107.2P143 R147 S148P143-D145 PolarHBondContact O-N 3.1Å; D145-R147 PolarHBondContact O-N 3.26Å; D145-R147 WeakPolarHBondContact OD1-CB 3.49Å; D145-R147 VanDerWaalsContact OD1-CG 3.3Å; D145-R147 WeakPolarHBondContact OD1-CG 3.28Å; D145-R147 PolarHBondContact OD1-N 3.32Å; D145-S148 PolarHBondContact O-N 3.08Å; D145-S148 PolarHBondContact O-OG 2.95Å
146R55.6Low50.5Low192 Ų192142.2 Ų142.273%0.72570%0.697SS**G310 helixtrans-57.5-11.5179-79.5-178.6164.2148.5-4.8113.2K144 S148 E149K144-R146 PolarHBondContact O-N 3.05Å; K144-R146 VanDerWaalsContact O-N 3.08Å; R146-S148 PolarHBondContact O-N 3.22Å; R146-E149 PolarHBondContact O-N 2.7Å
147R56Low50Low207 Ų207139.8 Ų139.878%0.78170%0.695SS**G310 helixtrans-63.8-25.5173-65.6176176.6178.80.3112.6D145D145-R147 PolarHBondContact O-N 3.26Å; D145-R147 WeakPolarHBondContact OD1-CB 3.49Å; D145-R147 VanDerWaalsContact OD1-CG 3.3Å; D145-R147 WeakPolarHBondContact OD1-CG 3.28Å; D145-R147 PolarHBondContact OD1-N 3.32Å
148S48.7Very low49.8Very low77 Ų77132.7 Ų132.754%0.53867%0.674SS.*G310 helixtrans-88.1-8177.171.50000114.3D145 R146 N150 V151D145-S148 PolarHBondContact O-N 3.08Å; D145-S148 PolarHBondContact O-OG 2.95Å; R146-S148 PolarHBondContact O-N 3.22Å; S148-N150 PolarHBondContact O-N 3.46Å; S148-V151 PolarHBondContact O-N 3.22Å; S148-V151 VanDerWaalsContact O-N 3.1Å
149E56.6Low49.9Very low134 Ų134134 Ų13463%0.62668%0.677SS**THydrogen-bonded Turntrans-64-25.4175.3-78.1-179167.900111.6R146R146-E149 PolarHBondContact O-N 2.7Å
150N55Low50.4Low152 Ų152129.7 Ų129.781%0.81367%0.673SS**THydrogen-bonded Turntrans-95.5-2.5176.1-64.9-11.7000113.7S148S148-N150 PolarHBondContact O-N 3.46Å
151V47.8Very low50.8Low100 Ų100136.3 Ų136.361%0.60669%0.689SS**  trans-106.286.4-178.7-175.10000108.2S148 P153S148-V151 PolarHBondContact O-N 3.22Å; S148-V151 VanDerWaalsContact O-N 3.1Å; V151-P153 WeakPolarHBondContact O-CD 3.47Å
152I49.5Very low51Low98 Ų98127.4 Ų127.450%0.50367%0.669SS.*  trans-68.2120.1170.1-61.1175.3000107F154I152-F154 PolarHBondContact O-N 3.49Å
153P45.5Very low51.2Low94 Ų94125.4 Ų125.461%0.6167%0.667SS**  trans-59133.3-179.521.5-30.7000110V151 Q155 S156V151-P153 WeakPolarHBondContact O-CD 3.47Å; P153-Q155 PolarHBondContact O-N 2.97Å; P153-S156 PolarHBondContact O-N 3.01Å
154F48.6Very low51.2Low188 Ų188128 Ų12883%0.82567%0.669SS**THydrogen-bonded Turntrans-50-17.3-171.2-123.1-92.3000115.7I152 S156I152-F154 PolarHBondContact O-N 3.49Å; F154-S156 VanDerWaalsContact C-N 3.25Å; F154-S156 PolarHBondContact O-N 2.96Å
155Q47.1Very low51.1Low201 Ų201126.1 Ų126.194%0.93967%0.668SS**THydrogen-bonded Turntrans-71-18.5175.3-71-175.7-23.800113.6P153P153-Q155 PolarHBondContact O-N 2.97Å
156S50.7Low51.2Low76 Ų76124.8 Ų124.853%0.53168%0.676SS.*SBendtrans-108.199.3168.8-178.80000108P153 F154 T158P153-S156 PolarHBondContact O-N 3.01Å; F154-S156 VanDerWaalsContact C-N 3.25Å; F154-S156 PolarHBondContact O-N 2.96Å; S156-T158 PolarHBondContact O-N 3.39Å
157G45.7Very low50.8Low63 Ų63123.2 Ų123.265%0.64968%0.679SS**  trans-37.5123.8-173.300000113.9
158T51.7Low50.5Low50 Ų50118.6 Ų118.631%0.30768%0.678SS.*  trans-83.6126-174.959.40000110.6S156 V160S156-T158 PolarHBondContact O-N 3.39Å; T158-V160 PolarHBondContact O-N 2.85Å
159N55.5Low50.3Low133 Ų133121.4 Ų121.471%0.71169%0.687SS**G310 helixtrans-80.211.8178.5-64.3-14.5000113.9F161 A162N159-F161 PolarHBondContact O-N 3.34Å; N159-F161 VanDerWaalsContact O-N 3.08Å; N159-A162 HydrophobicContact CB-CB 4.31Å; N159-A162 PolarHBondContact O-N 2.91Å
160V54.5Low49.7Very low114 Ų114120 Ų12069%0.69169%0.69SS**G310 helixtrans-60.9-23.7-172.81770000112.7T158T158-V160 PolarHBondContact O-N 2.85Å
161F54Low49.4Very low189 Ų189119.6 Ų119.683%0.82970%0.695SS**G310 helixtrans-111.67.1176.8-52.6-67.8000113.9N159 S163N159-F161 PolarHBondContact O-N 3.34Å; N159-F161 VanDerWaalsContact O-N 3.08Å; F161-S163 PolarHBondContact O-N 3.32Å
162A50Low49.3Very low64 Ų64118.2 Ų118.253%0.52970%0.701SS.*  trans-83107.6176.300000109.2N159 Q164N159-A162 HydrophobicContact CB-CB 4.31Å; N159-A162 PolarHBondContact O-N 2.91Å; A162-Q164 PolarHBondContact O-N 3.4Å
163S53Low49Very low100 Ų100120.4 Ų120.470%0.69972%0.719SS**  trans-59.4118.3171.559.80000109.7F161 N165F161-S163 PolarHBondContact O-N 3.32Å; S163-N165 PolarHBondContact O-N 2.73Å; S163-N165 VanDerWaalsContact O-N 3.17Å
164Q51.6Low48.9Very low170 Ų170119.3 Ų119.379%0.79473%0.725SS**  trans-67.5-7.8176.3-95.9179.7-19.900113.9A162 G166 M167A162-Q164 PolarHBondContact O-N 3.4Å; Q164-G166 PolarHBondContact O-N 3.48Å; Q164-M167 PolarHBondContact O-N 3.23Å
165N46.5Very low48.7Very low155 Ų155114.5 Ų114.583%0.82972%0.72SS**THydrogen-bonded Turntrans-65.7108.8176.1-82.319.5000110.2S163S163-N165 PolarHBondContact O-N 2.73Å; S163-N165 VanDerWaalsContact O-N 3.17Å
166G51.7Low48.8Very low64 Ų64116 Ų11666%0.6672%0.719SS**THydrogen-bonded Turntrans121.71.6174.100000115.6Q164 S168Q164-G166 PolarHBondContact O-N 3.48Å; G166-S168 PolarHBondContact O-N 2.78Å
167M47.1Very low48.5Very low158 Ų158123.5 Ų123.578%0.77874%0.735SS**  trans-8733.1175.2-66.4-158.971.400113.9Q164 D169Q164-M167 PolarHBondContact O-N 3.23Å; M167-D169 VanDerWaalsContact C-N 3.28Å
168S49.3Very low48.6Very low110 Ų110127.3 Ų127.377%0.76974%0.736SS**  trans-84.92.217656.50000114G166G166-S168 PolarHBondContact O-N 2.78Å
169D44.8Very low48.5Very low136 Ų136129.3 Ų129.373%0.72776%0.758SS**SBendtrans-89.2131.5176.7-72.2-22.9000111.2M167M167-D169 VanDerWaalsContact C-N 3.28Å
170P43.9Very low48.2Very low106 Ų106127.5 Ų127.569%0.68875%0.752SS**  trans-62.4152.3-17123.1-31.9000112.6G172P170-G172 PolarHBondContact O-N 3.09Å
171P48.6Very low48.1Very low143 Ų143130.1 Ų130.193%0.92976%0.758SS**THydrogen-bonded Turntrans-69.694.2-167.729.1-34.1000110.5
172G45.9Very low48.1Very low71 Ų71128.3 Ų128.373%0.73275%0.752SS**THydrogen-bonded Turntrans-165.3-16.5177.900000115.4P170P170-G172 PolarHBondContact O-N 3.09Å
173V43.8Very low48.2Very low143 Ų143129.9 Ų129.987%0.86776%0.757SS**SBendtrans-121.3100.2178-168.90000108.1A175V173-A175 PolarHBondContact O-N 3.13Å
174G42.5Very low48.2Very low72 Ų72134.2 Ų134.274%0.74277%0.767SS**  trans-51131.5-170.900000113.3Y176G174-Y176 PolarHBondContact O-N 3.22Å
175A45.3Very low48.5Very low87 Ų87129.8 Ų129.872%0.71977%0.766SS**  trans-48.9123.4174.500000110.9V173 R177V173-A175 PolarHBondContact O-N 3.13Å; A175-R177 PolarHBondContact O-N 3.19Å
176Y49Very low49.1Very low232 Ų232128.4 Ų128.491%0.9176%0.758SS**  trans-55.5109.8176.8-131.7-97.2000109G174 Q178G174-Y176 PolarHBondContact O-N 3.22Å; Y176-Q178 PolarHBondContact O-N 3.03Å
177R44.2Very low49.4Very low233 Ų233130.7 Ų130.788%0.87976%0.755SS**  trans-73108.4172-67.4178.5-175.9-100-0.8107A175 A179A175-R177 PolarHBondContact O-N 3.19Å; R177-A179 PolarHBondContact O-N 2.93Å
178Q48.2Very low50.3Low144 Ų144129.7 Ų129.767%0.67375%0.747SS**  trans-66.6103.9170.1-115.7-153.7-24.400108.3Y176 T180Y176-Q178 PolarHBondContact O-N 3.03Å; Q178-T180 VanDerWaalsContact C-N 3.27Å; Q178-T180 PolarHBondContact O-N 3.3Å
179A49Very low51.3Low91 Ų91128.3 Ų128.375%0.75273%0.734SS**  trans-83.878.3162.800000107.4R177 M181R177-A179 PolarHBondContact O-N 2.93Å; A179-M181 PolarHBondContact O-N 2.83Å
180T50.5Low52.4Low96 Ų96130 Ų13059%0.58974%0.737SS**  trans-72.485.3164.242.90000107.3Q178 E182Q178-T180 VanDerWaalsContact C-N 3.27Å; Q178-T180 PolarHBondContact O-N 3.3Å; T180-E182 PolarHBondContact O-N 3.16Å
181M51.2Low53.6Low168 Ų168129.4 Ų129.483%0.82873%0.725SS**  trans-74112.7161.7-69.7-65.4-7100106.5A179 P183A179-M181 PolarHBondContact O-N 2.83Å; M181-P183 WeakPolarHBondContact O-CD 3.48Å
182E53.4Low54.6Low151 Ų151127.5 Ų127.571%0.70670%0.704SS**  trans-69.1122.5172.8-62.8-172.4168.300108.1T180 E184T180-E182 PolarHBondContact O-N 3.16Å; E182-E184 PolarHBondContact O-N 3.37Å; E182-E184 VanDerWaalsContact O-N 3.12Å
183P53.2Low55.6Low97 Ų97128.8 Ų128.863%0.6369%0.694SS**  trans-70.1111.6-178.925.8-31.3000110M181M181-P183 WeakPolarHBondContact O-CD 3.48Å
184E52Low56.8Low192 Ų192128.8 Ų128.890%0.89768%0.678SS**THydrogen-bonded Turntrans-57.2135.5176.9-66.2-176.2166.100111.3E182E182-E184 PolarHBondContact O-N 3.37Å; E182-E184 VanDerWaalsContact O-N 3.12Å
185G59.2Low58.1Low76 Ų76134 Ų13478%0.78468%0.675SS**THydrogen-bonded Turntrans92.9-0.8177.100000115.8
186L57.8Low58.9Low127 Ų127133.8 Ų133.867%0.66567%0.669SS**  trans-118.126.8178.4-129.976.4000113.4
187N58.9Low59.4Low112 Ų112126.3 Ų126.360%0.59965%0.65SS**PPolyproline II helixtrans-81125.5-178.8-6322.2000109.1T189N187-T189 PolarHBondContact O-N 2.99Å
188F65.2Low60.4Low136 Ų136120.4 Ų120.460%0.59664%0.636SS**PPolyproline II helixtrans-66.1131.9165.6-69.5-70.4000108.4Q192 L193F188-Q192 HydrophobicContact CB-CB 4.45Å; F188-Q192 HydrophobicContact CD1-CB 4.47Å; F188-L193 HydrophobicContact CB-CD1 4.35Å; F188-L193 HydrophobicContact CB-CG 4.2Å
189T70.9Confident60.8Low82 Ų82120 Ų12050%0.50364%0.638SS.*PPolyproline II helixtrans-62.6144.5170.354.50000108.7N187 E191 Q192 L193N187-T189 PolarHBondContact O-N 2.99Å; T189-E191 PolarHBondContact O-N 2.85Å; T189-Q192 WeakPolarHBondContact O-CA 3.45Å; T189-Q192 WeakPolarHBondContact O-CB 2.83Å; T189-Q192 PolarHBondContact O-N 3.34Å; T189-Q192 VanDerWaalsContact OG1-CD 3.29Å; T189-Q192 VanDerWaalsContact OG1-CG 3.28Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.42Å; T189-Q192 PolarHBondContact OG1-OE1 3.3Å; T189-Q192 VanDerWaalsContact OG1-OE1 3.07Å; T189-L193 PolarHBondContact O-N 3.24Å
190E67.1Low61.1Low170 Ų170119.8 Ų119.879%0.79463%0.628SS**Hα-helixtrans-55.1-31.3-178.2-171.8158-175.800112.1Q192 L193 R194E190-Q192 PolarHBondContact O-N 3.14Å; E190-L193 PolarHBondContact O-N 3.43Å; E190-R194 PolarHBondContact O-N 2.8Å
191E70.3Confident61.2Low94 Ų94119.1 Ų119.144%0.43963%0.625SS.*Hα-helixtrans-66.6-35.2174.5-157.561-145.100113.3T189 R194 R195T189-E191 PolarHBondContact O-N 2.85Å; E191-R194 PolarHBondContact O-N 3.35Å; E191-R194 IonicContact OE1-NE 3.04Å; E191-R194 PolarHBondContact OE1-NE 3.31Å; E191-R194 IonicContact OE1-NH2 3.78Å; E191-R195 WeakPolarHBondContact O-CG 3.48Å; E191-R195 PolarHBondContact O-N 2.9Å
192Q68.6Low61Low103 Ų103123.3 Ų123.348%0.48163%0.631SS.*Hα-helixtrans-66.5-39.9174.5-77.7168.2-3500111.4F188 T189 E190 R195 S196F188-Q192 HydrophobicContact CB-CB 4.45Å; F188-Q192 HydrophobicContact CD1-CB 4.47Å; T189-Q192 WeakPolarHBondContact O-CA 3.45Å; T189-Q192 WeakPolarHBondContact O-CB 2.83Å; T189-Q192 PolarHBondContact O-N 3.34Å; T189-Q192 VanDerWaalsContact OG1-CD 3.29Å; T189-Q192 VanDerWaalsContact OG1-CG 3.28Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.42Å; T189-Q192 PolarHBondContact OG1-OE1 3.3Å; T189-Q192 VanDerWaalsContact OG1-OE1 3.07Å; E190-Q192 PolarHBondContact O-N 3.14Å; Q192-R195 PolarHBondContact O-N 3.5Å; Q192-S196 WeakPolarHBondContact O-CB 3.41Å; Q192-S196 PolarHBondContact O-N 3.48Å
193L68.1Low60.9Low98 Ų98121.6 Ų121.651%0.51364%0.636SS.*Hα-helixtrans-63.3-44.5174.1-80158.5000110.8F188 T189 E190 R195 S196 S197F188-L193 HydrophobicContact CB-CD1 4.35Å; F188-L193 HydrophobicContact CB-CG 4.2Å; T189-L193 PolarHBondContact O-N 3.24Å; E190-L193 PolarHBondContact O-N 3.43Å; L193-R195 PolarHBondContact O-N 3.28Å; L193-S196 PolarHBondContact O-N 3.05Å; L193-S196 PolarHBondContact O-OG 3.16Å; L193-S197 PolarHBondContact O-N 3.25Å; L193-S197 PolarHBondContact O-OG 3.39Å
194R69.1Low60.8Low144 Ų144119.1 Ų119.154%0.54362%0.624SS.*Hα-helixtrans-64.4-38.5178.9-151.2-17681.487.30.6113E190 E191 S197 L198E190-R194 PolarHBondContact O-N 2.8Å; E191-R194 PolarHBondContact O-N 3.35Å; E191-R194 IonicContact OE1-NE 3.04Å; E191-R194 PolarHBondContact OE1-NE 3.31Å; E191-R194 IonicContact OE1-NH2 3.78Å; R194-S197 PolarHBondContact O-OG 2.81Å; R194-S197 VanDerWaalsContact O-OG 3.13Å; R194-L198 PolarHBondContact O-N 3.05Å
195R68.6Low60.6Low180 Ų180113 Ų11368%0.67961%0.612SS**Hα-helixtrans-67.5-36.2173.4-75.8-176.6179.8-170-0.5112.4E191 Q192 L193 S197 L198E191-R195 WeakPolarHBondContact O-CG 3.48Å; E191-R195 PolarHBondContact O-N 2.9Å; Q192-R195 PolarHBondContact O-N 3.5Å; L193-R195 PolarHBondContact O-N 3.28Å; R195-S197 VanDerWaalsContact C-N 3.26Å; R195-S197 PolarHBondContact O-N 3.18Å; R195-L198 PolarHBondContact O-N 3.17Å
196S61.8Low60Low84 Ų84114.9 Ų114.959%0.58761%0.609SS**Hα-helixtrans-66.4-27.5-179.377.90000113.5Q192 L193Q192-S196 WeakPolarHBondContact O-CB 3.41Å; Q192-S196 PolarHBondContact O-N 3.48Å; L193-S196 PolarHBondContact O-N 3.05Å; L193-S196 PolarHBondContact O-OG 3.16Å
197S60.7Low59.9Low74 Ų74115 Ų11552%0.51761%0.61SS.*Hα-helixtrans-92.9-11.917959.30000114.1L193 R194 R195L193-S197 PolarHBondContact O-N 3.25Å; L193-S197 PolarHBondContact O-OG 3.39Å; R194-S197 PolarHBondContact O-OG 2.81Å; R194-S197 VanDerWaalsContact O-OG 3.13Å; R195-S197 VanDerWaalsContact C-N 3.26Å; R195-S197 PolarHBondContact O-N 3.18Å
198L63.6Low59.4Low110 Ų110118.8 Ų118.858%0.57662%0.621SS**Hα-helixtrans-72.2-36-175.1-163.3138.5000112.2R194 R195R194-L198 PolarHBondContact O-N 3.05Å; R195-L198 PolarHBondContact O-N 3.17Å
199D57.7Low58.5Low134 Ų134120.1 Ų120.172%0.71763%0.634SS**THydrogen-bonded Turntrans-106.551.4-178.9-63.3-42.2000112P201D199-P201 WeakPolarHBondContact O-CD 3.45Å
200V55.9Low57.4Low88 Ų88118.9 Ų118.953%0.53363%0.632SS.*  trans-89.6103.6169.4-176.80000108.4W202 A204V200-W202 PolarHBondContact O-N 3.03Å; V200-A204 HydrophobicContact CG1-CB 4.36Å
201P51Low56.6Low82 Ų82116.3 Ų116.353%0.53263%0.628SS.*  trans-62.1134.7176.524.5-32.5000109.8D199 S203 A204D199-P201 WeakPolarHBondContact O-CD 3.45Å; P201-S203 PolarHBondContact O-N 2.91Å; P201-A204 HydrophobicContact CG-CB 4.3Å; P201-A204 WeakPolarHBondContact O-CB 3.25Å; P201-A204 PolarHBondContact O-N 3.31Å
202W47.3Very low55.9Low255 Ų255118.2 Ų118.297%0.96664%0.637SS**THydrogen-bonded Turntrans-49.4-33.1-177.5-165.6-36.3000112.7V200 A204V200-W202 PolarHBondContact O-N 3.03Å; W202-A204 VanDerWaalsContact C-N 3.26Å; W202-A204 PolarHBondContact O-N 3.14Å
203S51.5Low55.1Low116 Ų116118 Ų11881%0.81165%0.646SS**THydrogen-bonded Turntrans-72.2-11.8178.553.70000115.1P201 G205P201-S203 PolarHBondContact O-N 2.91Å; S203-G205 PolarHBondContact O-N 3.04Å
204A51.8Low54.3Low45 Ų45117.5 Ų117.537%0.37267%0.665SS.*SBendtrans-77.379.7167.800000108.3V200 P201 W202 T206V200-A204 HydrophobicContact CG1-CB 4.36Å; P201-A204 HydrophobicContact CG-CB 4.3Å; P201-A204 WeakPolarHBondContact O-CB 3.25Å; P201-A204 PolarHBondContact O-N 3.31Å; W202-A204 VanDerWaalsContact C-N 3.26Å; W202-A204 PolarHBondContact O-N 3.14Å; A204-T206 PolarHBondContact O-N 3.38Å; A204-T206 VanDerWaalsContact O-N 3.16Å
205G47.2Very low53.6Low62 Ų62113.7 Ų113.764%0.63966%0.66SS**  trans-44.5125.5173.100000110.2S203 N207S203-G205 PolarHBondContact O-N 3.04Å; G205-N207 PolarHBondContact O-N 2.85Å
206T47.5Very low52.7Low117 Ų117107.1 Ų107.172%0.71865%0.648SS**  trans-57.4102.3-175.4-56.80000109.9A204 K208A204-T206 PolarHBondContact O-N 3.38Å; A204-T206 VanDerWaalsContact O-N 3.16Å; T206-K208 HydrophobicContact CG2-CB 3.67Å; T206-K208 PolarHBondContact O-N 3.44Å
207N54.4Low51.9Low130 Ų130105.4 Ų105.470%0.69564%0.644SS**G310 helixtrans-69.813.8-177.8-120.62.8000113.7G205 L209 A210G205-N207 PolarHBondContact O-N 2.85Å; N207-L209 PolarHBondContact O-N 3.43Å; N207-A210 PolarHBondContact O-N 2.87Å; N207-A210 WeakPolarHBondContact OD1-CB 3.34Å
208K48.4Very low51.3Low191 Ų191109.4 Ų109.483%0.8365%0.653SS**G310 helixtrans-67-17.7-177.5-154.7172.6-168.1178.50112.6T206T206-K208 HydrophobicContact CG2-CB 3.67Å; T206-K208 PolarHBondContact O-N 3.44Å
209L46.4Very low50.4Low164 Ų164110.7 Ų110.786%0.85966%0.659SS**G310 helixtrans-118.90.7-179.5-57.2177.6000113.7N207 T211N207-L209 PolarHBondContact O-N 3.43Å; L209-T211 PolarHBondContact O-N 2.89Å
210A47.9Very low49.9Very low56 Ų56112.2 Ų112.246%0.46366%0.66SS.*  trans-80.8109.6-179.500000110.1N207 Q212N207-A210 PolarHBondContact O-N 2.87Å; N207-A210 WeakPolarHBondContact OD1-CB 3.34Å; A210-Q212 PolarHBondContact O-N 2.86Å
211T51.3Low49.2Very low115 Ų115116.6 Ų116.671%0.70667%0.674SS**  trans-72.2124.9172.5540000109.4L209 S213L209-T211 PolarHBondContact O-N 2.89Å; T211-S213 PolarHBondContact O-N 2.92Å; T211-S213 PolarHBondContact OG1-OG 3.25Å
212Q56Low48.9Very low135 Ų135121 Ų12163%0.63168%0.68SS**  trans-76.51.1176.7-67.9-179.5600113A210 G214 S215A210-Q212 PolarHBondContact O-N 2.86Å; Q212-G214 PolarHBondContact O-N 2.95Å; Q212-S215 PolarHBondContact O-N 3.31Å; Q212-S215 PolarHBondContact O-OG 3.04Å
213S50.1Low48.7Very low98 Ų98115.3 Ų115.369%0.68567%0.669SS**THydrogen-bonded Turntrans-57.2117.7175.854.60000110.3T211 S215T211-S213 PolarHBondContact O-N 2.92Å; T211-S213 PolarHBondContact OG1-OG 3.25Å; S213-S215 VanDerWaalsContact C-N 3.26Å; S213-S215 PolarHBondContact O-N 3.13Å
214G52Low48.6Very low87 Ų87114.5 Ų114.590%0.89766%0.659SS**THydrogen-bonded Turntrans80.8-2.3-179.700000115Q212 G216Q212-G214 PolarHBondContact O-N 2.95Å; G214-G216 PolarHBondContact O-N 3.35Å
215S54Low48.1Very low64 Ų64117.8 Ų117.845%0.44867%0.669SS.*  trans-70.6105.1165.372.10000107.6Q212 S213 G217Q212-S215 PolarHBondContact O-N 3.31Å; Q212-S215 PolarHBondContact O-OG 3.04Å; S213-S215 VanDerWaalsContact C-N 3.26Å; S213-S215 PolarHBondContact O-N 3.13Å; S215-G217 PolarHBondContact O-N 3.25Å
216G49.3Very low47.9Very low42 Ų42122.9 Ų122.943%0.43367%0.674SS.*  trans-49.6137.3-175.600000111.1G214G214-G216 PolarHBondContact O-N 3.35Å
217G45.5Very low47.5Very low49 Ų49126 Ų12651%0.50568%0.677SS.*  trans-52.2169.9-168.700000115.9S215 L219 K220S215-G217 PolarHBondContact O-N 3.25Å; G217-L219 PolarHBondContact O-N 3.11Å; G217-K220 PolarHBondContact O-N 3.18Å
218F48Very low46.9Very low157 Ų157123 Ų12369%0.68967%0.667SS**THydrogen-bonded Turntrans-38.2129.7176.7-171.6-107.3000112.3
219L45.5Very low46.7Very low137 Ų137121.3 Ų121.372%0.71767%0.672SS**THydrogen-bonded Turntrans79.74.6-177.9-64.3154.3000118.7G217 Q221G217-L219 PolarHBondContact O-N 3.11Å; L219-Q221 PolarHBondContact O-N 2.9Å; L219-Q221 VanDerWaalsContact O-N 3.12Å
220K46.7Very low46.7Very low167 Ų167117.2 Ų117.273%0.72667%0.67SS**  trans-63.8119.9157.9-99.7-163.8174.4-174.10108.7G217 R222G217-K220 PolarHBondContact O-N 3.18Å; K220-R222 PolarHBondContact O-N 3.46Å
221Q42.1Very low46.6Very low179 Ų179117.3 Ų117.384%0.83668%0.676SS**  trans-52106.2167.9-177172.4-5.800106.6L219 D223L219-Q221 PolarHBondContact O-N 2.9Å; L219-Q221 VanDerWaalsContact O-N 3.12Å; Q221-D223 PolarHBondContact O-N 2.89Å
222R44.3Very low46.9Very low174 Ų174121.1 Ų121.166%0.65768%0.683SS**  trans-69.6126.8170.7-67-174.7176.3132.50.7104.8K220 V224K220-R222 PolarHBondContact O-N 3.46Å; R222-V224 PolarHBondContact O-N 2.99Å
223D43.1Very low46.7Very low136 Ų136124 Ų12473%0.72770%0.696SS**  trans-60.796.5162.5-72.8-24.3000105.6Q221 I225Q221-D223 PolarHBondContact O-N 2.89Å; D223-I225 HydrophobicContact CB-CG1 3.87Å; D223-I225 PolarHBondContact O-N 3.03Å
224V48.2Very low47.1Very low100 Ų100124.4 Ų124.461%0.60669%0.69SS**  trans-67.184.2157.5-176.50000102.7R222 F226R222-V224 PolarHBondContact O-N 2.99Å; V224-F226 HydrophobicContact CB-CD2 4.19Å; V224-F226 HydrophobicContact CB-CE2 4.08Å; V224-F226 HydrophobicContact CG1-CD1 4.43Å; V224-F226 HydrophobicContact CG1-CD2 3.62Å; V224-F226 HydrophobicContact CG1-CE1 4.29Å; V224-F226 HydrophobicContact CG1-CE2 3.44Å; V224-F226 VanDerWaalsContact CG1-CE2 3.44Å; V224-F226 HydrophobicContact CG1-CG 4.13Å; V224-F226 HydrophobicContact CG1-CZ 3.81Å; V224-F226 PolarHBondContact O-N 3.19Å
225I42Very low47.4Very low114 Ų114124.3 Ų124.359%0.58567%0.673SS**  trans-63.489.2170-61.8176.2000103.7D223 K227D223-I225 HydrophobicContact CB-CG1 3.87Å; D223-I225 PolarHBondContact O-N 3.03Å; I225-K227 HydrophobicContact CG2-CB 3.95Å; I225-K227 HydrophobicContact CG2-CD 3.5Å; I225-K227 HydrophobicContact CG2-CG 3.39Å; I225-K227 PolarHBondContact O-N 3.28Å
226F42.9Very low48Very low168 Ų168127.5 Ų127.574%0.73768%0.681SS**  trans-68.265.6163.8-79.8-77.8000107V224 S228V224-F226 HydrophobicContact CB-CD2 4.19Å; V224-F226 HydrophobicContact CB-CE2 4.08Å; V224-F226 HydrophobicContact CG1-CD1 4.43Å; V224-F226 HydrophobicContact CG1-CD2 3.62Å; V224-F226 HydrophobicContact CG1-CE1 4.29Å; V224-F226 HydrophobicContact CG1-CE2 3.44Å; V224-F226 VanDerWaalsContact CG1-CE2 3.44Å; V224-F226 HydrophobicContact CG1-CG 4.13Å; V224-F226 HydrophobicContact CG1-CZ 3.81Å; V224-F226 PolarHBondContact O-N 3.19Å; F226-S228 PolarHBondContact O-N 3.47Å
227K38.7Very low48.9Very low182 Ų182132.5 Ų132.579%0.79169%0.693SS**  trans-75.260155.8-82.1170.8-172.7-175.10107.2I225I225-K227 HydrophobicContact CG2-CB 3.95Å; I225-K227 HydrophobicContact CG2-CD 3.5Å; I225-K227 HydrophobicContact CG2-CG 3.39Å; I225-K227 PolarHBondContact O-N 3.28Å
228S41.9Very low49.8Very low69 Ų69134.6 Ų134.648%0.48369%0.692SS.*  trans-126.867.9162.163.50000106.1F226 G230 G231F226-S228 PolarHBondContact O-N 3.47Å; S228-G230 PolarHBondContact O-N 3.05Å; S228-G231 PolarHBondContact O-N 3.43Å
229V44.4Very low50.3Low155 Ų155132.4 Ų132.494%0.93968%0.683SS**THydrogen-bonded Turntrans-59.392.6155.1-89.50000105.9
230G46.4Very low51.3Low78 Ų78135.1 Ų135.180%0.80468%0.683SS**THydrogen-bonded Turntrans150.1-0.8-175.300000117S228S228-G230 PolarHBondContact O-N 3.05Å
231G47.1Very low51.9Low57 Ų57134.1 Ų134.159%0.58868%0.679SS**  trans-78.4126.4174.600000112.6S228 Q233S228-G231 PolarHBondContact O-N 3.43Å; G231-Q233 PolarHBondContact O-N 3.23Å
232K56.1Low52.5Low196 Ų196128.3 Ų128.385%0.85266%0.658SS**  trans-56.2130.2171.5-65.4179.1-179.2179.80109.3L234K232-L234 PolarHBondContact O-N 3.44Å
233Q53Low53.1Low196 Ų196126.3 Ų126.392%0.91666%0.661SS**  trans-58.9114.8176.3-64.5-162.331.400109.1G231G231-Q233 PolarHBondContact O-N 3.23Å
234L57.7Low53.6Low106 Ų106123 Ų12356%0.55566%0.659SS**  trans-77.5134175.7-87.3129.5000109.3K232 L238K232-L234 PolarHBondContact O-N 3.44Å; L234-L238 HydrophobicContact CD2-CB 4.17Å; L234-L238 HydrophobicContact CD2-CD2 3.84Å
235P58.9Low53.7Low84 Ų84124 Ų12455%0.54566%0.66SS.*  trans-61144177.824-32.1000111.2E237 L238P235-E237 PolarHBondContact O-N 2.86Å; P235-L238 HydrophobicContact CG-CD1 4.18Å; P235-L238 PolarHBondContact O-N 3.49Å
236E65.9Low53.9Low132 Ų132124.8 Ų124.862%0.61766%0.664SS**Hα-helixtrans-49.8-35.9-170.4-152.182.1-161.400113.6L238 K239 R240E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 3.27Å; E236-K239 WeakPolarHBondContact O-CB 3.39Å; E236-K239 PolarHBondContact O-N 2.92Å; E236-R240 PolarHBondContact O-N 3.15Å; E236-R240 VanDerWaalsContact O-N 3.08Å
237E68.6Low54Low147 Ų147125.4 Ų125.469%0.68766%0.661SS**Hα-helixtrans-64.1-35.9-180-64.4-174174.400113.1P235 K241P235-E237 PolarHBondContact O-N 2.86Å; E237-K241 PolarHBondContact O-N 2.91Å
238L64.2Low54.6Low92 Ų92124.5 Ų124.548%0.48267%0.665SS.*Hα-helixtrans-74.5-31.6176.3-92.586000111.8L234 P235 E236 K241 S242L234-L238 HydrophobicContact CD2-CB 4.17Å; L234-L238 HydrophobicContact CD2-CD2 3.84Å; P235-L238 HydrophobicContact CG-CD1 4.18Å; P235-L238 PolarHBondContact O-N 3.49Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 3.27Å; L238-K241 PolarHBondContact O-N 3.21Å; L238-S242 PolarHBondContact O-N 3.21Å; L238-S242 VanDerWaalsContact O-N 3.1Å
239K59.3Low54.9Low112 Ų112128.9 Ų128.949%0.48768%0.677SS.*Hα-helixtrans-62.2-46.5172.1-79.7-177.6178.2173.30110.9E236 K241 S242 D243E236-K239 WeakPolarHBondContact O-CB 3.39Å; E236-K239 PolarHBondContact O-N 2.92Å; K239-K241 VanDerWaalsContact C-N 3.3Å; K239-K241 PolarHBondContact O-N 3.23Å; K239-S242 WeakPolarHBondContact O-CA 3.37Å; K239-S242 WeakPolarHBondContact O-CB 3.43Å; K239-S242 PolarHBondContact O-N 3.42Å; K239-S242 PolarHBondContact O-OG 2.95Å; K239-D243 PolarHBondContact O-N 3.22Å; K239-D243 VanDerWaalsContact O-N 3.14Å
240R64.8Low55Low193 Ų193128.9 Ų128.973%0.72867%0.665SS**Hα-helixtrans-60.5-37.5176.6-73.4-173.5174.7174.8-0.4113E236 S242 D243E236-R240 PolarHBondContact O-N 3.15Å; E236-R240 VanDerWaalsContact O-N 3.08Å; R240-S242 VanDerWaalsContact C-N 3.27Å; R240-S242 PolarHBondContact O-N 3.45Å; R240-D243 PolarHBondContact O-N 3.31Å
241K59.6Low55.1Low146 Ų146128.3 Ų128.364%0.63566%0.659SS**Hα-helixtrans-65.9-30.2173.5-73.1178.9-179.5175.30112.4E237 L238 K239 I245E237-K241 PolarHBondContact O-N 2.91Å; L238-K241 PolarHBondContact O-N 3.21Å; K239-K241 VanDerWaalsContact C-N 3.3Å; K239-K241 PolarHBondContact O-N 3.23Å; K241-I245 WeakPolarHBondContact O-CG1 3.48Å
242S54.8Low55.3Low58 Ų58129.8 Ų129.841%0.40666%0.657SS.*Hα-helixtrans-77.9-23.217870.70000114.2L238 K239 R240 G244 I245L238-S242 PolarHBondContact O-N 3.21Å; L238-S242 VanDerWaalsContact O-N 3.1Å; K239-S242 WeakPolarHBondContact O-CA 3.37Å; K239-S242 WeakPolarHBondContact O-CB 3.43Å; K239-S242 PolarHBondContact O-N 3.42Å; K239-S242 PolarHBondContact O-OG 2.95Å; R240-S242 VanDerWaalsContact C-N 3.27Å; R240-S242 PolarHBondContact O-N 3.45Å; S242-G244 PolarHBondContact O-N 3.15Å; S242-I245 PolarHBondContact O-N 2.86Å
243D58.4Low55.3Low132 Ų132124.5 Ų124.571%0.70664%0.638SS**Hα-helixtrans-64.9-25.7176.9-70.5-27.4000112.5K239 R240K239-D243 PolarHBondContact O-N 3.22Å; K239-D243 VanDerWaalsContact O-N 3.14Å; R240-D243 PolarHBondContact O-N 3.31Å
244G52.4Low55.2Low67 Ų67121.6 Ų121.669%0.69162%0.622SS**Hα-helixtrans-92.2-21175.200000115S242 L246S242-G244 PolarHBondContact O-N 3.15Å; G244-L246 PolarHBondContact O-N 3.18Å
245I49.6Very low55.1Low121 Ų121124.6 Ų124.662%0.62164%0.638SS**SBendtrans-97.588.9-176.7-58.9171.6000108.3K241 S242 R247K241-I245 WeakPolarHBondContact O-CG1 3.48Å; S242-I245 PolarHBondContact O-N 2.86Å; I245-R247 PolarHBondContact O-N 3.24Å
246L46.3Very low54.8Low129 Ų129122.5 Ų122.568%0.67563%0.628SS**  trans-61102.4172.4-66.4174.7000109.2G244 L248 F250G244-L246 PolarHBondContact O-N 3.18Å; L246-L248 PolarHBondContact O-N 3.28Å; L246-F250 HydrophobicContact CD2-CD2 4.49Å; L246-F250 HydrophobicContact CD2-CE2 4.42Å
247R45.8Very low54.2Low181 Ų181119.6 Ų119.668%0.68362%0.622SS**  trans-59.8132.7170.5-66.2-176.9-179.8-139.9-1108.1I245 Q249 F250I245-R247 PolarHBondContact O-N 3.24Å; R247-Q249 PolarHBondContact O-N 3.42Å; R247-F250 PolarHBondContact O-N 2.96Å
248L51.8Low53.7Low164 Ų164114.8 Ų114.886%0.85960%0.599SS**THydrogen-bonded Turntrans-51.71175.9-93.6151.2000115.5L246 F250L246-L248 PolarHBondContact O-N 3.28Å; L248-F250 PolarHBondContact O-N 3.14Å
249Q47.2Very low53.2Low161 Ų161113.8 Ų113.875%0.75260%0.6SS**THydrogen-bonded Turntrans-66-15.7170.8-66.9-166.8-3200113.5R247 G251R247-Q249 PolarHBondContact O-N 3.42Å; Q249-G251 VanDerWaalsContact C-N 3.26Å; Q249-G251 PolarHBondContact O-N 3.02Å
250F46.2Very low53.1Low155 Ų155112.5 Ų112.568%0.6862%0.619SS**SBendtrans-77.685.9163.9-64.5-74.9000108.6L246 R247 L248 T252L246-F250 HydrophobicContact CD2-CD2 4.49Å; L246-F250 HydrophobicContact CD2-CE2 4.42Å; R247-F250 PolarHBondContact O-N 2.96Å; L248-F250 PolarHBondContact O-N 3.14Å; F250-T252 PolarHBondContact O-N 3.36Å
251G50.3Low52.8Low65 Ų65108 Ų10867%0.6761%0.607SS**  trans-37.3127.3-174.400000113.7Q249 N253Q249-G251 VanDerWaalsContact C-N 3.26Å; Q249-G251 PolarHBondContact O-N 3.02Å; G251-N253 PolarHBondContact O-N 3.2Å
252T50.3Low52.7Low89 Ų89106.5 Ų106.555%0.54661%0.611SS.*  trans-56.9131.2170.1161.60000110.3F250 K254F250-T252 PolarHBondContact O-N 3.36Å; T252-K254 PolarHBondContact O-N 3.04Å; T252-K254 WeakPolarHBondContact OG1-CB 3.3Å; T252-K254 PolarHBondContact OG1-N 3.18Å; T252-K254 VanDerWaalsContact OG1-N 3.16Å
253N55.7Low52.6Low84 Ų84105 Ų10545%0.44960%0.604SS.*G310 helixtrans-72.8-2.917564.4-17.2000113G251 L255 A256G251-N253 PolarHBondContact O-N 3.2Å; N253-L255 PolarHBondContact O-N 3.3Å; N253-A256 PolarHBondContact O-N 2.94Å
254K50.4Low52.1Low136 Ų136108.4 Ų108.459%0.59161%0.613SS**G310 helixtrans-59-24.3-175.5-167172.7-177.8-179.60113.2T252T252-K254 PolarHBondContact O-N 3.04Å; T252-K254 WeakPolarHBondContact OG1-CB 3.3Å; T252-K254 PolarHBondContact OG1-N 3.18Å; T252-K254 VanDerWaalsContact OG1-N 3.16Å
255L56Low52Low168 Ų168108.1 Ų108.188%0.8861%0.611SS**G310 helixtrans-123.34.9179-58.1175.4000113.3N253N253-L255 PolarHBondContact O-N 3.3Å
256A53.1Low52.1Low41 Ų41104.8 Ų104.834%0.33960%0.596SS.*  trans-85.3121.8-178.900000110.2N253N253-A256 PolarHBondContact O-N 2.94Å
257S53Low52Low70 Ų70104.6 Ų104.649%0.4960%0.604SS.*  trans-72.7124.5172.7179.80000109.8S259S257-S259 PolarHBondContact O-N 3.23Å; S257-S259 WeakPolarHBondContact OG-CB 3.48Å; S257-S259 PolarHBondContact OG-N 3.48Å; S257-S259 PolarHBondContact OG-OG 3.17Å
258Q58Low52.2Low46 Ų46106.5 Ų106.522%0.21561%0.611CS.*  trans-79.25.7173.2-162.6172.52400112.6G260 M261Q258-G260 PolarHBondContact O-N 2.86Å; Q258-M261 HydrophobicContact CB-SD 4.31Å; Q258-M261 HydrophobicContact CG-CB 3.44Å; Q258-M261 VanDerWaalsContact CG-CB 3.44Å; Q258-M261 HydrophobicContact CG-CE 3.96Å; Q258-M261 HydrophobicContact CG-CG 4.23Å; Q258-M261 HydrophobicContact CG-SD 3.88Å; Q258-M261 WeakPolarHBondContact O-CB 3.44Å; Q258-M261 PolarHBondContact O-N 2.92Å
259S53.6Low52Low71 Ų71105.2 Ų105.250%0.49761%0.605SS.*THydrogen-bonded Turntrans-53.4115176.4590000111.1S257S257-S259 PolarHBondContact O-N 3.23Å; S257-S259 WeakPolarHBondContact OG-CB 3.48Å; S257-S259 PolarHBondContact OG-N 3.48Å; S257-S259 PolarHBondContact OG-OG 3.17Å
260G56.7Low51.9Low86 Ų86102.6 Ų102.689%0.88760%0.6SS**THydrogen-bonded Turntrans90.31.2-178.600000115.8Q258Q258-G260 PolarHBondContact O-N 2.86Å
261M60.1Low51.8Low99 Ų99101 Ų10149%0.48860%0.598SS.*SBendtrans-88.4145171.4-78.1149.975.200110.9Q258 G263Q258-M261 HydrophobicContact CB-SD 4.31Å; Q258-M261 HydrophobicContact CG-CB 3.44Å; Q258-M261 VanDerWaalsContact CG-CB 3.44Å; Q258-M261 HydrophobicContact CG-CE 3.96Å; Q258-M261 HydrophobicContact CG-CG 4.23Å; Q258-M261 HydrophobicContact CG-SD 3.88Å; Q258-M261 WeakPolarHBondContact O-CB 3.44Å; Q258-M261 PolarHBondContact O-N 2.92Å; M261-G263 PolarHBondContact O-N 3.03Å
262T57.2Low51.6Low114 Ų114103.5 Ų103.570%0.69960%0.6SS**PPolyproline II helixtrans-63.2122.8-177.120.20000111.4T266T262-T266 WeakPolarHBondContact CB-OG1 3.36Å; T262-T266 HydrophobicContact CG2-CG2 4.16Å
263G51.8Low51.2Low27 Ų27106.1 Ų106.128%0.27861%0.611SS.*PPolyproline II helixtrans-66.8161-177.200000113.5M261 G265 T266M261-G263 PolarHBondContact O-N 3.03Å; G263-G265 PolarHBondContact O-N 2.91Å; G263-T266 WeakPolarHBondContact O-CG2 3.35Å; G263-T266 PolarHBondContact O-N 3.41Å; G263-T266 VanDerWaalsContact O-N 3.13Å; G263-T266 PolarHBondContact O-OG1 3.26Å
264F48.3Very low50.7Low202 Ų202106.5 Ų106.589%0.88662%0.62SS**THydrogen-bonded Turntrans-54.6129.7177.9-167.6-96.8000111.1
265G49.9Very low50.5Low62 Ų62110.1 Ų110.164%0.63964%0.636SS**THydrogen-bonded Turntrans83.34-179.100000115.9G263 C267G263-G265 PolarHBondContact O-N 2.91Å; G265-C267 PolarHBondContact O-N 3.17Å
266T52.8Low50.2Low51 Ų51109.9 Ų109.931%0.31362%0.623SS.*  trans-63.5122.8162.753.90000108.2T262 G263 R268T262-T266 WeakPolarHBondContact CB-OG1 3.36Å; T262-T266 HydrophobicContact CG2-CG2 4.16Å; G263-T266 WeakPolarHBondContact O-CG2 3.35Å; G263-T266 PolarHBondContact O-N 3.41Å; G263-T266 VanDerWaalsContact O-N 3.13Å; G263-T266 PolarHBondContact O-OG1 3.26Å; T266-R268 PolarHBondContact O-N 3.19Å
267C43.1Very low50.6Low125 Ų125113.4 Ų113.485%0.84563%0.631SS**  trans-49.8112.9168.3-59.80000106.8G265 N269G265-C267 PolarHBondContact O-N 3.17Å; C267-N269 PolarHBondContact O-N 3.19Å; C267-N269 VanDerWaalsContact O-N 3.09Å
268R51.3Low51.3Low221 Ų221117.8 Ų117.883%0.83464%0.641SS**  trans-59.1122.9170.8-72.7-173.2171.596.9-0104.3T266 V270T266-R268 PolarHBondContact O-N 3.19Å; R268-V270 WeakPolarHBondContact O-CG2 3.49Å; R268-V270 PolarHBondContact O-N 3.1Å
269N46.2Very low52Low136 Ų136121.3 Ų121.373%0.72766%0.658SS**  trans-63.495168.4-161.54.5000104.5C267 L271C267-N269 PolarHBondContact O-N 3.19Å; C267-N269 VanDerWaalsContact O-N 3.09Å; N269-L271 PolarHBondContact O-N 3.07Å
270V46.8Very low52.8Low106 Ų106124.5 Ų124.564%0.64266%0.659SS**  trans-73.473.2173.2-169.70000103.8R268 T272R268-V270 WeakPolarHBondContact O-CG2 3.49Å; R268-V270 PolarHBondContact O-N 3.1Å; V270-T272 HydrophobicContact CG1-CG2 3.73Å; V270-T272 PolarHBondContact O-N 3.1Å
271L43.8Very low53.5Low122 Ų122122.7 Ų122.764%0.63963%0.631SS**  trans-61.593.5155.2-69.7168.8000103.3N269 N273N269-L271 PolarHBondContact O-N 3.07Å; L271-N273 PolarHBondContact O-N 2.84Å
272T44.5Very low54.3Low118 Ų118121.4 Ų121.472%0.72463%0.626SS**  trans-63.263172.8290000108.8V270V270-T272 HydrophobicContact CG1-CG2 3.73Å; V270-T272 PolarHBondContact O-N 3.1Å
273N42.3Very low55.3Low144 Ų144120.7 Ų120.777%0.7761%0.614SS**  trans-120.423.9166-77.1-41.2000110.2L271 K275L271-N273 PolarHBondContact O-N 2.84Å; N273-K275 PolarHBondContact O-N 3.48Å
274S46.5Very low56.5Low92 Ų92122.5 Ų122.564%0.64361%0.613SS**SBendtrans-78.6110155.1-63.30000105.5W276S274-W276 PolarHBondContact O-N 3.2Å
275K44.4Very low57.9Low212 Ų212118 Ų11892%0.92260%0.595SS**  trans-57.774179.3-62.2177.1179.2-178.60110.7N273 K277N273-K275 PolarHBondContact O-N 3.48Å; K275-K277 PolarHBondContact O-N 3.05Å
276W51.4Low59.4Low162 Ų162120 Ų12061%0.61459%0.591SS**  trans-62.4132.9158.1-76.521.3000105.1S274 K278 V281S274-W276 PolarHBondContact O-N 3.2Å; W276-K278 PolarHBondContact O-N 3.07Å; W276-V281 HydrophobicContact CB-CG2 3.73Å; W276-V281 HydrophobicContact CE3-CG2 4.05Å
277K60.8Low60.8Low116 Ų116118 Ų11850%0.50458%0.58SS.*  trans-54.8131.7171.2-67.7-175.2176.9-175.80106.2K275 E279 W280 V281K275-K277 PolarHBondContact O-N 3.05Å; K277-E279 HydrophobicContact CB-CB 4.36Å; K277-E279 PolarHBondContact O-N 3.32Å; K277-E279 VanDerWaalsContact O-N 3.08Å; K277-W280 HydrophobicContact CB-CD2 4.22Å; K277-W280 HydrophobicContact CB-CG 4.14Å; K277-W280 HydrophobicContact CD-CZ2 4.24Å; K277-W280 WeakPolarHBondContact O-CB 3.37Å; K277-W280 PolarHBondContact O-N 3.4Å; K277-V281 PolarHBondContact O-N 3.4Å
278K67.8Low62.4Low162 Ų162117.7 Ų117.770%0.70456%0.561SS**Hα-helixtrans-49.5-39.3-178.4-165.7179178.9-175.40111W276 W280 V281 D282W276-K278 PolarHBondContact O-N 3.07Å; K278-W280 VanDerWaalsContact C-N 3.29Å; K278-W280 PolarHBondContact O-N 3.04Å; K278-V281 PolarHBondContact O-N 3.49Å; K278-V281 VanDerWaalsContact O-N 3.11Å; K278-D282 PolarHBondContact O-N 3.31Å
279E71.8Confident63.9Low119 Ų119112.5 Ų112.556%0.55655%0.549SS*.Hα-helixtrans-45.9-44.9170.5-53164.9-124.800113.9K277 E283K277-E279 HydrophobicContact CB-CB 4.36Å; K277-E279 PolarHBondContact O-N 3.32Å; K277-E279 VanDerWaalsContact O-N 3.08Å; E279-E283 WeakPolarHBondContact O-CB 3.36Å; E279-E283 VanDerWaalsContact O-CG 3.25Å; E279-E283 WeakPolarHBondContact O-CG 3.48Å; E279-E283 PolarHBondContact O-N 3.03Å
280W71.1Confident65.5Low138 Ų138112.1 Ų112.152%0.52354%0.543SS..Hα-helixtrans-78-30.8-176.6-62.9-5.2000112.8K277 K278 Y284K277-W280 HydrophobicContact CB-CD2 4.22Å; K277-W280 HydrophobicContact CB-CG 4.14Å; K277-W280 HydrophobicContact CD-CZ2 4.24Å; K277-W280 WeakPolarHBondContact O-CB 3.37Å; K277-W280 PolarHBondContact O-N 3.4Å; K278-W280 VanDerWaalsContact C-N 3.29Å; K278-W280 PolarHBondContact O-N 3.04Å; W280-Y284 WeakPolarHBondContact O-CB 3.14Å; W280-Y284 PolarHBondContact O-N 3.2Å
281V72.3Confident67.1Low48 Ų48111 Ų11129%0.29153%0.527SS..Hα-helixtrans-68.4-46.9173.2-177.70000108.7W276 K277 K278 E283 Y284 E285W276-V281 HydrophobicContact CB-CG2 3.73Å; W276-V281 HydrophobicContact CE3-CG2 4.05Å; K277-V281 PolarHBondContact O-N 3.4Å; K278-V281 PolarHBondContact O-N 3.49Å; K278-V281 VanDerWaalsContact O-N 3.11Å; V281-E283 VanDerWaalsContact C-N 3.35Å; V281-E283 PolarHBondContact O-N 3.1Å; V281-Y284 PolarHBondContact O-N 3.34Å; V281-Y284 VanDerWaalsContact O-N 3.16Å; V281-E285 WeakPolarHBondContact O-CG 2.75Å; V281-E285 PolarHBondContact O-N 2.88Å
282D76.2Confident69Low73 Ų73109.1 Ų109.139%0.3952%0.515SS..Hα-helixtrans-61.8-42.3178-61-16.3000111.1K278 E285 L286K278-D282 PolarHBondContact O-N 3.31Å; D282-E285 PolarHBondContact O-N 2.89Å; D282-L286 WeakPolarHBondContact O-CB 3.15Å; D282-L286 PolarHBondContact O-N 3.23Å
283E77.4Confident70.7Confident98 Ų98109.3 Ų109.346%0.45851%0.507SS..Hα-helixtrans-60.9-42.1173.5-80.1176.3-159.800112.6E279 V281 A287E279-E283 WeakPolarHBondContact O-CB 3.36Å; E279-E283 VanDerWaalsContact O-CG 3.25Å; E279-E283 WeakPolarHBondContact O-CG 3.48Å; E279-E283 PolarHBondContact O-N 3.03Å; V281-E283 VanDerWaalsContact C-N 3.35Å; V281-E283 PolarHBondContact O-N 3.1Å; E283-A287 VanDerWaalsContact O-CB 3.28Å; E283-A287 WeakPolarHBondContact O-CB 3.38Å; E283-A287 PolarHBondContact O-N 3.06Å
284Y78Confident72.4Confident65 Ų65108.7 Ų108.726%0.25550%0.498SS..Hα-helixtrans-66.8-43.3178.2177.2-94.4000112Y7 L10 W280 V281 A287 R288Y7-Y284 HydrophobicContact CD2-CE2 4.25Å; Y7-Y284 AromaticContact CE2-CE2 3.86Å; Y7-Y284 HydrophobicContact CE2-CE2 3.86Å; Y7-Y284 AromaticContact CE2-CZ 3.84Å; L10-Y284 HydrophobicContact CB-CD2 4.41Å; L10-Y284 HydrophobicContact CD1-CD2 4.13Å; W280-Y284 WeakPolarHBondContact O-CB 3.14Å; W280-Y284 PolarHBondContact O-N 3.2Å; V281-Y284 PolarHBondContact O-N 3.34Å; V281-Y284 VanDerWaalsContact O-N 3.16Å; Y284-A287 PolarHBondContact O-N 2.97Å; Y284-R288 VanDerWaalsContact O-CB 3.29Å; Y284-R288 WeakPolarHBondContact O-CB 3.35Å; Y284-R288 PolarHBondContact O-N 3.28Å
285E78.3Confident73.9Confident107 Ų107107.2 Ų107.250%0.548%0.481SS..Hα-helixtrans-65.5-42.7177.9-71.4-176.817700111.5V281 D282 R288 L289V281-E285 WeakPolarHBondContact O-CG 2.75Å; V281-E285 PolarHBondContact O-N 2.88Å; D282-E285 PolarHBondContact O-N 2.89Å; E285-R288 PolarHBondContact O-N 3.26Å; E285-L289 WeakPolarHBondContact O-CB 3.38Å; E285-L289 PolarHBondContact O-N 3.27Å
286L81.4Confident75.4Confident105 Ų10598.5 Ų98.555%0.5545%0.451SS..Hα-helixtrans-61-47.3173-98154.1000112.3D282 R288 L289 Q290D282-L286 WeakPolarHBondContact O-CB 3.15Å; D282-L286 PolarHBondContact O-N 3.23Å; L286-R288 VanDerWaalsContact C-N 3.27Å; L286-R288 PolarHBondContact O-N 3.11Å; L286-L289 PolarHBondContact O-N 3.24Å; L286-Q290 WeakPolarHBondContact O-CB 3.33Å; L286-Q290 VanDerWaalsContact O-CG 3.32Å; L286-Q290 WeakPolarHBondContact O-CG 3.45Å; L286-Q290 PolarHBondContact O-N 3.07Å
287A80.4Confident76.4Confident10 Ų1095.8 Ų95.88%0.08345%0.446CS..Hα-helixtrans-62.4-37.3178.200000111.6L10 E283 Y284 W291L10-A287 HydrophobicContact CD1-CB 4.28Å; E283-A287 VanDerWaalsContact O-CB 3.28Å; E283-A287 WeakPolarHBondContact O-CB 3.38Å; E283-A287 PolarHBondContact O-N 3.06Å; Y284-A287 PolarHBondContact O-N 2.97Å; A287-W291 WeakPolarHBondContact O-CB 3.34Å; A287-W291 PolarHBondContact O-N 3.46Å
288R77.9Confident76.7Confident117 Ų11798.2 Ų98.244%0.44245%0.451SS..Hα-helixtrans-67.2-46.1176-176.1-178.3165.2-152.6-8.7112Y7 Y284 E285 L286 Q290 W291 E292Y7-R288 HydrophobicContact CD2-CB 3.96Å; Y7-R288 HydrophobicContact CD2-CG 4.41Å; Y7-R288 HydrophobicContact CE2-CB 3.95Å; Y7-R288 HydrophobicContact CE2-CG 4Å; Y284-R288 VanDerWaalsContact O-CB 3.29Å; Y284-R288 WeakPolarHBondContact O-CB 3.35Å; Y284-R288 PolarHBondContact O-N 3.28Å; E285-R288 PolarHBondContact O-N 3.26Å; L286-R288 VanDerWaalsContact C-N 3.27Å; L286-R288 PolarHBondContact O-N 3.11Å; R288-Q290 PolarHBondContact O-N 3.06Å; R288-W291 PolarHBondContact O-N 2.95Å; R288-E292 IonicContact CZ-OE1 2.89Å; R288-E292 IonicContact NE-OE1 3.02Å; R288-E292 PolarHBondContact NE-OE1 3.33Å; R288-E292 IonicContact NH2-OE1 2.95Å; R288-E292 PolarHBondContact NH2-OE1 2.94Å; R288-E292 WeakPolarHBondContact O-CG 3.37Å; R288-E292 PolarHBondContact O-N 3.22Å
289L82Confident76.7Confident113 Ų11397.5 Ų97.559%0.59244%0.444SS*.Hα-helixtrans-60-44.1175.9-92.7146.5000111.9E285 L286 W291 E292 H293E285-L289 WeakPolarHBondContact O-CB 3.38Å; E285-L289 PolarHBondContact O-N 3.27Å; L286-L289 PolarHBondContact O-N 3.24Å; L289-W291 VanDerWaalsContact C-N 3.32Å; L289-W291 PolarHBondContact O-N 3.37Å; L289-E292 PolarHBondContact O-N 2.96Å; L289-H293 PolarHBondContact O-N 3.06Å
290Q80.8Confident76Confident128 Ų12897.3 Ų97.360%0.59844%0.443SS*.Hα-helixtrans-63.2-38.7175.8-72.4176.69.800112.2L286 R288 K294L286-Q290 WeakPolarHBondContact O-CB 3.33Å; L286-Q290 VanDerWaalsContact O-CG 3.32Å; L286-Q290 WeakPolarHBondContact O-CG 3.45Å; L286-Q290 PolarHBondContact O-N 3.07Å; R288-Q290 PolarHBondContact O-N 3.06Å; Q290-K294 WeakPolarHBondContact O-CB 3.38Å; Q290-K294 PolarHBondContact O-N 3.16Å
291W81Confident75.2Confident82 Ų8296.3 Ų96.331%0.31145%0.448SS..Hα-helixtrans-68.3-43.8176.4-175.887.5000111.9Y7 A287 R288 L289 H293 K294 E295Y7-W291 HydrophobicContact CD1-CB 4.05Å; Y7-W291 AromaticContact CD1-CD1 3.97Å; Y7-W291 AromaticContact CD1-CD2 3.73Å; Y7-W291 HydrophobicContact CD1-CD2 3.73Å; Y7-W291 HydrophobicContact CD1-CE3 4.2Å; Y7-W291 AromaticContact CD1-CG 3.63Å; Y7-W291 HydrophobicContact CD1-CG 3.63Å; Y7-W291 HydrophobicContact CE1-CD2 4.11Å; Y7-W291 HydrophobicContact CE1-CE3 4.15Å; Y7-W291 HydrophobicContact CE1-CG 4.45Å; Y7-W291 HydrophobicContact CG-CB 4.09Å; Y7-W291 HydrophobicContact CG-CG 4.16Å; A287-W291 WeakPolarHBondContact O-CB 3.34Å; A287-W291 PolarHBondContact O-N 3.46Å; R288-W291 PolarHBondContact O-N 2.95Å; L289-W291 VanDerWaalsContact C-N 3.32Å; L289-W291 PolarHBondContact O-N 3.37Å; W291-H293 VanDerWaalsContact C-N 3.32Å; W291-H293 PolarHBondContact O-N 3.42Å; W291-K294 PolarHBondContact O-N 3.05Å; W291-E295 HydrophobicContact CH2-CG 4.26Å; W291-E295 HydrophobicContact CZ2-CG 4.39Å; W291-E295 VanDerWaalsContact O-CB 3.3Å; W291-E295 WeakPolarHBondContact O-CB 3.12Å; W291-E295 PolarHBondContact O-N 3.11Å
292E82.5Confident74.5Confident82 Ų8296.6 Ų96.638%0.38345%0.453SS..Hα-helixtrans-61.9-38.9176-74.7179.4-176.300111.8R288 L289 G296R288-E292 IonicContact CZ-OE1 2.89Å; R288-E292 IonicContact NE-OE1 3.02Å; R288-E292 PolarHBondContact NE-OE1 3.33Å; R288-E292 IonicContact NH2-OE1 2.95Å; R288-E292 PolarHBondContact NH2-OE1 2.94Å; R288-E292 WeakPolarHBondContact O-CG 3.37Å; R288-E292 PolarHBondContact O-N 3.22Å; L289-E292 PolarHBondContact O-N 2.96Å; E292-G296 PolarHBondContact O-N 3.49Å
293H80.1Confident73.5Confident122 Ų12299.1 Ų99.157%0.56546%0.462SS*.Hα-helixtrans-63.9-49.5173.9-170.9-85.7000112L289 W291 E295 G296 E297L289-H293 PolarHBondContact O-N 3.06Å; W291-H293 VanDerWaalsContact C-N 3.32Å; W291-H293 PolarHBondContact O-N 3.42Å; H293-E295 VanDerWaalsContact C-N 3.29Å; H293-E295 PolarHBondContact O-N 3.41Å; H293-G296 WeakPolarHBondContact O-CA 3.03Å; H293-G296 PolarHBondContact O-N 3.45Å; H293-G296 VanDerWaalsContact O-N 3.14Å; H293-E297 IonicContact CE1-OE1 3.44Å; H293-E297 PolarHBondContact CE1-OE1 3.07Å; H293-E297 IonicContact ND1-OE1 3.33Å; H293-E297 PolarHBondContact ND1-OE1 3.07Å; H293-E297 PolarHBondContact O-N 2.96Å
294K79.1Confident72.5Confident131 Ų13198.3 Ų98.357%0.5746%0.461SS*.Hα-helixtrans-61.8-37.8178.7-172.2179-179.6-176.90112Q290 W291 R298Q290-K294 WeakPolarHBondContact O-CB 3.38Å; Q290-K294 PolarHBondContact O-N 3.16Å; W291-K294 PolarHBondContact O-N 3.05Å; K294-R298 WeakPolarHBondContact O-CG 3.12Å; K294-R298 PolarHBondContact O-N 3.12Å
295E77.2Confident71.4Confident61 Ų6197.6 Ų97.629%0.28547%0.468SS..Hα-helixtrans-72.9-33.5176.6-162.660.4-158.600111.6W291 H293 R298 R299W291-E295 HydrophobicContact CH2-CG 4.26Å; W291-E295 HydrophobicContact CZ2-CG 4.39Å; W291-E295 VanDerWaalsContact O-CB 3.3Å; W291-E295 WeakPolarHBondContact O-CB 3.12Å; W291-E295 PolarHBondContact O-N 3.11Å; H293-E295 VanDerWaalsContact C-N 3.29Å; H293-E295 PolarHBondContact O-N 3.41Å; E295-R298 PolarHBondContact O-N 3.24Å; E295-R299 WeakPolarHBondContact O-CG 3.49Å; E295-R299 PolarHBondContact O-N 2.66Å
296G76.1Confident70.2Confident30 Ų3097.4 Ų97.431%0.30947%0.471SS..Hα-helixtrans-60.8-46.9169.800000112.4E292 H293 R298 R299 H300E292-G296 PolarHBondContact O-N 3.49Å; H293-G296 WeakPolarHBondContact O-CA 3.03Å; H293-G296 PolarHBondContact O-N 3.45Å; H293-G296 VanDerWaalsContact O-N 3.14Å; G296-R298 PolarHBondContact O-N 3.38Å; G296-R299 PolarHBondContact O-N 3.08Å; G296-H300 PolarHBondContact O-N 2.93Å
297E71.4Confident68.7Low105 Ų10599 Ų9949%0.49147%0.473SS..Hα-helixtrans-61.9-41.3175-71.5178.4160.600112.2H293 R299 H300 N301H293-E297 IonicContact CE1-OE1 3.44Å; H293-E297 PolarHBondContact CE1-OE1 3.07Å; H293-E297 IonicContact ND1-OE1 3.33Å; H293-E297 PolarHBondContact ND1-OE1 3.07Å; H293-E297 PolarHBondContact O-N 2.96Å; E297-R299 VanDerWaalsContact C-N 3.31Å; E297-R299 PolarHBondContact O-N 2.8Å; E297-H300 PolarHBondContact O-N 3.43Å; E297-N301 PolarHBondContact O-N 3.23Å
298R67.9Low67.3Low166 Ų166101.8 Ų101.863%0.62650%0.496SS*.Hα-helixtrans-60.7-41174.7-74.1-171.592.290.50112K294 E295 G296 S302K294-R298 WeakPolarHBondContact O-CG 3.12Å; K294-R298 PolarHBondContact O-N 3.12Å; E295-R298 PolarHBondContact O-N 3.24Å; G296-R298 PolarHBondContact O-N 3.38Å; R298-S302 PolarHBondContact O-N 3.36Å; R298-S302 VanDerWaalsContact O-N 3.14Å
299R67Low66Low147 Ų147103.2 Ų103.256%0.55551%0.508SS*.Hα-helixtrans-69.9-34.5177-71.9-175.1-127.2139.41112.8E295 G296 E297 S302 Q303E295-R299 WeakPolarHBondContact O-CG 3.49Å; E295-R299 PolarHBondContact O-N 2.66Å; G296-R299 PolarHBondContact O-N 3.08Å; E297-R299 VanDerWaalsContact C-N 3.31Å; E297-R299 PolarHBondContact O-N 2.8Å; R299-S302 PolarHBondContact O-OG 2.95Å; R299-S302 VanDerWaalsContact O-OG 3.04Å; R299-Q303 WeakPolarHBondContact O-CG 3.39Å; R299-Q303 PolarHBondContact O-N 3.25Å
300H57.5Low64.3Low115 Ų115106.1 Ų106.153%0.53252%0.518SS..Hα-helixtrans-69.1-45.3176.2-164.1-68.3000111G296 E297 S302 Q303 D304G296-H300 PolarHBondContact O-N 2.93Å; E297-H300 PolarHBondContact O-N 3.43Å; H300-S302 VanDerWaalsContact C-N 3.31Å; H300-S302 PolarHBondContact O-N 3.42Å; H300-Q303 PolarHBondContact O-N 2.82Å; H300-D304 IonicContact CE1-OD2 3.63Å; H300-D304 PolarHBondContact CE1-OD2 3.03Å; H300-D304 IonicContact ND1-OD2 3.18Å; H300-D304 PolarHBondContact ND1-OD2 2.93Å; H300-D304 PolarHBondContact O-N 3.16Å
301N55.7Low62.7Low117 Ų117107.1 Ų107.163%0.62653%0.528SS*.Hα-helixtrans-65.8-31.2178.5-79.97.5000113.1E297 A305E297-N301 PolarHBondContact O-N 3.23Å; N301-A305 PolarHBondContact O-N 2.95Å
302S57Low60.7Low55 Ų55106 Ų10639%0.38554%0.537SS..Hα-helixtrans-70.8-38175.168.20000112R298 R299 H300 D304 A305 D306R298-S302 PolarHBondContact O-N 3.36Å; R298-S302 VanDerWaalsContact O-N 3.14Å; R299-S302 PolarHBondContact O-OG 2.95Å; R299-S302 VanDerWaalsContact O-OG 3.04Å; H300-S302 VanDerWaalsContact C-N 3.31Å; H300-S302 PolarHBondContact O-N 3.42Å; S302-D304 VanDerWaalsContact C-N 3.3Å; S302-D304 PolarHBondContact O-N 3.11Å; S302-A305 PolarHBondContact O-N 3.37Å; S302-D306 VanDerWaalsContact O-CG 3.22Å; S302-D306 PolarHBondContact O-N 3.47Å
303Q55.8Low58.5Low125 Ų125110.5 Ų110.558%0.58456%0.558SS**Hα-helixtrans-67.3-31178-75.3-172.6-29.800113.2R299 H300 K307R299-Q303 WeakPolarHBondContact O-CG 3.39Å; R299-Q303 PolarHBondContact O-N 3.25Å; H300-Q303 PolarHBondContact O-N 2.82Å; Q303-K307 WeakPolarHBondContact O-CG 3.23Å; Q303-K307 PolarHBondContact O-N 3.34Å
304D56.6Low56.2Low82 Ų82109.1 Ų109.144%0.43958%0.576SS.*Hα-helixtrans-75.9-30.8173.9-68.1-34.6000112.1H300 S302 A308H300-D304 IonicContact CE1-OD2 3.63Å; H300-D304 PolarHBondContact CE1-OD2 3.03Å; H300-D304 IonicContact ND1-OD2 3.18Å; H300-D304 PolarHBondContact ND1-OD2 2.93Å; H300-D304 PolarHBondContact O-N 3.16Å; S302-D304 VanDerWaalsContact C-N 3.3Å; S302-D304 PolarHBondContact O-N 3.11Å; D304-A308 PolarHBondContact O-N 3.13Å
305A54.1Low54.1Low50 Ų50110.8 Ų110.841%0.41359%0.586SS.*Hα-helixtrans-69.3-43.5173.500000112N301 S302 K307 A308 E309N301-A305 PolarHBondContact O-N 2.95Å; S302-A305 PolarHBondContact O-N 3.37Å; A305-K307 VanDerWaalsContact C-N 3.28Å; A305-K307 PolarHBondContact O-N 3.33Å; A305-A308 PolarHBondContact O-N 3.04Å; A305-E309 PolarHBondContact O-N 2.85Å; A305-E309 VanDerWaalsContact O-N 3.07Å
306D53.1Low51.9Low102 Ų102117.1 Ų117.155%0.54562%0.616SS.*Hα-helixtrans-63.5-34.2179.7-64-19.7000111.7S302 E310S302-D306 VanDerWaalsContact O-CG 3.22Å; S302-D306 PolarHBondContact O-N 3.47Å; D306-E310 PolarHBondContact O-N 3.19Å
307K50.6Low50.1Low138 Ų138122.4 Ų122.460%0.664%0.641SS**Hα-helixtrans-73.6-24.3174.4-73.5179.5-175.81700113.9Q303 A305 N311Q303-K307 WeakPolarHBondContact O-CG 3.23Å; Q303-K307 PolarHBondContact O-N 3.34Å; A305-K307 VanDerWaalsContact C-N 3.28Å; A305-K307 PolarHBondContact O-N 3.33Å; K307-N311 PolarHBondContact O-ND2 3.36Å
308A50.4Low48.2Very low69 Ų69123.8 Ų123.857%0.5765%0.652SS**Hα-helixtrans-78.1-34.717500000111.3D304 A305D304-A308 PolarHBondContact O-N 3.13Å; A305-A308 PolarHBondContact O-N 3.04Å
309E50.7Low47.1Very low147 Ų147121.6 Ų121.669%0.68766%0.659SS**Hα-helixtrans-79.1-30.5177-73.9-171.5171.200113.3A305 N311 A312A305-E309 PolarHBondContact O-N 2.85Å; A305-E309 VanDerWaalsContact O-N 3.07Å; E309-N311 PolarHBondContact O-N 3.27Å; E309-A312 CarbonylContact O-C 3.52Å; E309-A312 PolarHBondContact O-N 3.25Å
310E45.8Very low45.5Very low174 Ų174120.3 Ų120.381%0.81366%0.664SS**THydrogen-bonded Turntrans-64.7-17.4178.3-159.1177-167.900113.4D306D306-E310 PolarHBondContact O-N 3.19Å
311N47.1Very low44.5Very low149 Ų149120.2 Ų120.280%0.79768%0.676SS**THydrogen-bonded Turntrans-87.2-4.7174.1-73.7-42.6000114.4K307 E309K307-N311 PolarHBondContact O-ND2 3.36Å; E309-N311 PolarHBondContact O-N 3.27Å
312A40.2Very low43.5Very low60 Ų60124.9 Ų124.950%0.49669%0.685SS.*SBendtrans-129.9115177.100000109.4E309E309-A312 CarbonylContact O-C 3.52Å; E309-A312 PolarHBondContact O-N 3.25Å
313E36.1Very low42.3Very low176 Ų176131.8 Ų131.882%0.82271%0.708SS**  trans86.581.5161.8-50.2-178.3-179.900115.3E315E313-E315 PolarHBondContact O-N 3Å
314G31.3Very low41Very low92 Ų92132.2 Ų132.295%0.94872%0.719SS**  trans-65.896.1151.900000109.8
315E35.2Very low39.7Very low167 Ų167131.6 Ų131.678%0.7873%0.732SS**  trans-123.7130.5166.7-166.7163.2178.300110.8E313 V317E313-E315 PolarHBondContact O-N 3Å; E315-V317 PolarHBondContact O-N 3.05Å
316Q30.6Very low38.8Very low194 Ų194134.3 Ų134.391%0.90775%0.748SS**PPolyproline II helixtrans-76.1117.3-165.6-60.8-177.15.700111.4
317V37.8Very low37.7Very low140 Ų140136.5 Ų136.585%0.84877%0.765SS**PPolyproline II helixtrans-99119.4173.3-177.60000110.8E315E315-V317 PolarHBondContact O-N 3.05Å
318N32.7Very low36.8Very low134 Ų134135.8 Ų135.872%0.71777%0.772SS**PPolyproline II helixtrans-59.4128.7-179.6-172.5-9.3000112.5D320N318-D320 PolarHBondContact O-N 2.83Å; N318-D320 VanDerWaalsContact O-N 3.07Å
319P44.3Very low35.8Very low120 Ų120142.5 Ų142.578%0.77978%0.783SS**SBendtrans-86.178.4-170.135.7-36.7000112
320D33.2Very low34.8Very low121 Ų121146.8 Ų146.865%0.64779%0.793SS**  trans-140.427.7168.8-128.88.5000116.3N318 R322N318-D320 PolarHBondContact O-N 2.83Å; N318-D320 VanDerWaalsContact O-N 3.07Å; D320-R322 IonicContact OD1-NH2 3.44Å
321S36.7Very low34Very low113 Ų113147.7 Ų147.779%0.7979%0.79SS**  trans-103.873.4164.866.50000111.2F323S321-F323 PolarHBondContact O-N 3.11Å
322R35.4Very low33.3Very low215 Ų215144.2 Ų144.281%0.81179%0.789SS**  trans-72.776.1162.4-80.7179.2-98.9179.5-6.6109.2D320 V324D320-R322 IonicContact OD1-NH2 3.44Å; R322-V324 PolarHBondContact O-N 3.2Å
323F31.3Very low32.8Very low199 Ų199150.8 Ų150.887%0.87381%0.809SS**  trans-80.1112.8170.7-157.2-100.8000109.7S321S321-F323 PolarHBondContact O-N 3.11Å
324V28.4Very low32.8Very low135 Ų135148 Ų14882%0.81881%0.809SS**  trans-72.2119178.7176.70000108.8R322R322-V324 PolarHBondContact O-N 3.2Å
325G28.2Very low33Very low69 Ų69147 Ų14771%0.71180%0.799SS**  trans155.565.9163.400000117.8
326S36.2Very low32.9Very low106 Ų106145.2 Ų145.274%0.74180%0.8SS**  trans-170.497.3140.163.70000110.2V328S326-V328 PolarHBondContact O-N 3.24Å
327T30Very low33Very low148 Ų148147.2 Ų147.291%0.90880%0.799SS**  trans-80.170.1165.448.10000109.3
328V30.8Very low32.8Very low124 Ų124147.6 Ų147.675%0.75280%0.796SS**  trans-125.187.1164-178.80000106.6S326 R330S326-V328 PolarHBondContact O-N 3.24Å; V328-R330 PolarHBondContact O-N 3.12Å
329R29.9Very low32.8Very low209 Ų209150 Ų15079%0.78980%0.803SS**  trans-74.1104.6170-73.8-177.5177.5175-1.5107.7Y331R329-Y331 HydrophobicContact CB-CD2 4.48Å; R329-Y331 HydrophobicContact CB-CE2 4.05Å; R329-Y331 PolarHBondContact O-N 3.35Å
330R29.1Very low32.5Very low238 Ų238150.1 Ų150.190%0.89880%0.804SS**  trans-72.3104.5169.4-165.3-175.4-63.7-154.12.4107.3V328V328-R330 PolarHBondContact O-N 3.12Å
331Y29.8Very low32.6Very low193 Ų193153.2 Ų153.276%0.75781%0.814SS**PPolyproline II helixtrans-72.6141172.4-77-86.5000109.9R329R329-Y331 HydrophobicContact CB-CD2 4.48Å; R329-Y331 HydrophobicContact CB-CE2 4.05Å; R329-Y331 PolarHBondContact O-N 3.35Å
332G32Very low32.5Very low75 Ų75155.3 Ų155.377%0.77382%0.817SS**PPolyproline II helixtrans-63.4165.8-162.500000116.6S334G332-S334 PolarHBondContact O-N 3.35Å
333Q30.5Very low32.6Very low198 Ų198152.5 Ų152.593%0.92582%0.818SS**PPolyproline II helixtrans-50.5127.2-176.2-69.3164.2-18.100112.2G335Q333-G335 PolarHBondContact O-N 2.65Å
334S34.8Very low32.8Very low118 Ų118151.9 Ų151.983%0.82582%0.818SS**  trans-64.3101.916750.20000108.9G332 T336G332-S334 PolarHBondContact O-N 3.35Å; S334-T336 PolarHBondContact O-N 3.23Å
335G35.9Very low33.3Very low70 Ų70153.7 Ų153.772%0.72282%0.817SS**  trans-62.3122164.300000108.9Q333 R337Q333-G335 PolarHBondContact O-N 2.65Å; G335-R337 PolarHBondContact O-N 3Å
336T32.8Very low33.6Very low131 Ų131159.2 Ų159.280%0.80483%0.825SS**  trans-54.8117.4167.944.70000108.3S334S334-T336 PolarHBondContact O-N 3.23Å
337R32.6Very low33.7Very low236 Ų236164.5 Ų164.589%0.89183%0.83SS**  trans-104.4110.6175.4-170.8169.6166.2150-3.7105.9G335 E339G335-R337 PolarHBondContact O-N 3Å; R337-E339 PolarHBondContact O-N 3.2Å
338D35Very low34.1Very low148 Ų148162.2 Ų162.279%0.79182%0.82SS**PPolyproline II helixtrans-59.3125.6178-59.5-53.2000109.3
339E32.4Very low34.3Very low183 Ų183165.7 Ų165.786%0.85583%0.828SS**PPolyproline II helixtrans-77131.8175.9-63.3-133.815600109.2R337R337-E339 PolarHBondContact O-N 3.2Å
340P37.2Very low34.9Very low123 Ų123161.7 Ų161.780%0.79983%0.827SS**PPolyproline II helixtrans-71.3133.1176.128.8-31.6000110.4
341E36.5Very low35.5Very low186 Ų186163.3 Ų163.387%0.86985%0.845SS**PPolyproline II helixtrans-53.6136.7176.4-73.4173144.700111.4D343E341-D343 PolarHBondContact O-N 3.38Å
342N34.2Very low35.8Very low157 Ų157161.9 Ų161.984%0.8485%0.849SS**  trans-59.9113.8173.6-86.9-44.3000109.9E344N342-E344 PolarHBondContact O-N 3.18Å
343D36.2Very low36Very low156 Ų156166.4 Ų166.483%0.83485%0.853SS**  trans-75.1111.8159.1-68.8-41000108E341 E345E341-D343 PolarHBondContact O-N 3.38Å; D343-E345 PolarHBondContact O-N 3.23Å; D343-E345 VanDerWaalsContact O-N 3.16Å
344E36.8Very low36.3Very low187 Ų187164.7 Ų164.787%0.87485%0.849SS**  trans-67103.6174.7-63.8-174.7161.800109.4N342 E346N342-E344 PolarHBondContact O-N 3.18Å; E344-E346 PolarHBondContact O-N 2.96Å; E344-E346 VanDerWaalsContact O-N 3.11Å
345E37.8Very low36.4Very low173 Ų173167.4 Ų167.481%0.80885%0.85SS**  trans-75.995.8167.9-74.1-173.817500109.4D343 Y347D343-E345 PolarHBondContact O-N 3.23Å; D343-E345 VanDerWaalsContact O-N 3.16Å; E345-Y347 PolarHBondContact O-N 3.1Å
346E34.8Very low36.5Very low185 Ų185173.5 Ų173.586%0.86486%0.858SS**  trans-64112.6171.2-166.8174.9-163.300110E344 S348E344-E346 PolarHBondContact O-N 2.96Å; E344-E346 VanDerWaalsContact O-N 3.11Å; E346-S348 PolarHBondContact O-N 3.05Å; E346-S348 VanDerWaalsContact O-N 3.12Å
347Y39.2Very low36.7Very low217 Ų217176.3 Ų176.385%0.85186%0.862SS**  trans-71.6101.1173.4-78.6-91.1000109.7E345 E349E345-Y347 PolarHBondContact O-N 3.1Å; Y347-E349 PolarHBondContact O-N 3.02Å
348S38.8Very low37Very low99 Ų99172.1 Ų172.169%0.69286%0.86SS**  trans-74.8110.8168.862.30000110.3E346 T350E346-S348 PolarHBondContact O-N 3.05Å; E346-S348 VanDerWaalsContact O-N 3.12Å; S348-T350 PolarHBondContact O-N 3.25Å
349E35Very low37.2Very low197 Ų197173.9 Ų173.992%0.92187%0.865SS**  trans-68.6112.5162.1-74.1179.2161.500108.9Y347Y347-E349 PolarHBondContact O-N 3.02Å
350T42.2Very low37.6Very low125 Ų125173.2 Ų173.277%0.76787%0.866SS**  trans-111110.7166.349.60000109.1S348S348-T350 PolarHBondContact O-N 3.25Å
351E41.7Very low37.6Very low273 Ų273177.7 Ų177.7100%1.27687%0.872SS**  trans18.30159-63.4-176.2157.900120.8

Retrieved 351 of 351 residues in 126.4 ms (Link to these results)