A0A077ZAK4_TRITR Loading...

Endosulfine domain containing protein

Protein phosphatase inhibitor that specifically inhibits protein phosphatase 2A (PP2A) during mitosis.

AlphaFold DB , UniProt , Accession A0A077ZAK4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 156 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
1M41.8Very low52.4Low243 Ų243157.5 Ų157.5100%1.19786%0.856SS**  0112.10-64.5175.1-178.600105
2E47.3Very low52.6Low188 Ų188151.5 Ų151.588%0.87984%0.844SS**  cis-151143.814.2-80178.5116.500109.2
3A52.8Low52.8Low100 Ų100152.7 Ų152.783%0.82684%0.835SS**  trans24.2108.2156.200000120.1
4A53.2Low52.3Low85 Ų85153.6 Ų153.670%0.70284%0.839SS**SBendtrans-61.3152.4140.900000110.6
5T60.2Low52.3Low138 Ų138154 Ų15485%0.84784%0.837SS**  trans67.889.7159.942.30000118.7
6R59.3Low51.6Low211 Ų211148.4 Ų148.480%0.79683%0.827SS**  trans-153.455.5152.9-157.6-177.8-17979.93.3114.2
7W57.2Low51.4Low257 Ų257147.9 Ų147.997%0.97382%0.822SS**SBendtrans-128.726.5169-84.664000112.7
8T58.1Low50.9Low130 Ų130147.1 Ų147.180%0.79882%0.816SS**SBendtrans-138.352.2170.961.80000110.4
9D49.5Very low50.8Low140 Ų140151.1 Ų151.175%0.74982%0.817SS**SBendtrans179.595.7149.6-116.4-21.9000109.8
10S56.2Low50.4Low114 Ų114152.6 Ų152.680%0.79782%0.819SS**  trans166.980.9141.2-161.50000109.5
11C40.9Very low50.5Low126 Ų126150.1 Ų150.185%0.85181%0.813SS**  trans-149.752.7135.3-144.40000108.6K13C11-K13 VanDerWaalsContact C-N 3.32Å; C11-K13 PolarHBondContact O-N 3.11Å
12A54.6Low51.2Low86 Ų86147.7 Ų147.771%0.71180%0.799SS**  trans-7985.6160.700000108.1
13K56Low51.8Low167 Ų167143 Ų14373%0.72678%0.779SS**  trans172.2107.9150.6-102.8145.6179.2159.20109.7C11C11-K13 VanDerWaalsContact C-N 3.32Å; C11-K13 PolarHBondContact O-N 3.11Å
14D45.5Very low52.7Low166 Ų166140.7 Ų140.789%0.88876%0.756SS**  -140.5104.2116.5-92.9-31.2000108.7G16D14-G16 VanDerWaalsContact C-N 3.26Å; D14-G16 PolarHBondContact O-N 3.28Å; D14-G16 VanDerWaalsContact O-N 3.14Å
15I51.8Low53.7Low159 Ų159141.8 Ų141.882%0.81576%0.757SS**  trans-71.793.7158.7-69168.7000104.3
16G41.5Very low54.6Low65 Ų65142.1 Ų142.167%0.6775%0.748SS**  trans-141.561.2174.800000108.6D14 D18D14-G16 VanDerWaalsContact C-N 3.26Å; D14-G16 PolarHBondContact O-N 3.28Å; D14-G16 VanDerWaalsContact O-N 3.14Å; G16-D18 PolarHBondContact O-N 3.44Å
17N47.6Very low55.6Low139 Ų139137.1 Ų137.174%0.74373%0.733SS**  trans-67.6111.4149.1176.651.6000105.4
18D42.3Very low56.7Low133 Ų133127 Ų12771%0.71170%0.704SS**  trans179.7138.5135.7-82.8-28000110.2G16G16-D18 PolarHBondContact O-N 3.44Å
19R48.9Very low58Low223 Ų223127 Ų12784%0.84270%0.695SS**  trans90.859.3171.7-48.6-79.1-75-110-10.2116.5S21R19-S21 PolarHBondContact O-N 3.01Å
20Q42.4Very low59.5Low182 Ų182126.3 Ų126.385%0.8569%0.687SS**THydrogen-bonded Turntrans-52.5118.9132.9-65.2174.86.300108.7
21S53.4Low60.9Low100 Ų100125 Ų12570%0.69967%0.67SS**THydrogen-bonded Turntrans170.1-6.2135.965.90000113.9R19 I23R19-S21 PolarHBondContact O-N 3.01Å; S21-I23 VanDerWaalsContact C-N 3.33Å; S21-I23 PolarHBondContact O-N 3.28Å
22E55.6Low63.1Low193 Ų193125.5 Ų125.590%0.90266%0.658SS**SBendtrans-74.199.4160.4-134.8123.1-13400105.7S24E22-S24 PolarHBondContact O-N 3.29Å
23I61.3Low64.4Low89 Ų89125.2 Ų125.246%0.45664%0.644SS.*  trans-51.3112.5-178.4-76.3156.2000107.6S21 K27 A28 L31S21-I23 VanDerWaalsContact C-N 3.33Å; S21-I23 PolarHBondContact O-N 3.28Å; I23-K27 HydrophobicContact CG2-CB 4.04Å; I23-K27 HydrophobicContact CG2-CG 4.38Å; I23-A28 HydrophobicContact CG2-CB 3.25Å; I23-L31 HydrophobicContact CD1-CD1 4.05Å
24S72Confident65.6Low51 Ų51121 Ų12136%0.35763%0.629SS.*  trans-50.8143.5170.8590000107.8E22 E26 K27 A28E22-S24 PolarHBondContact O-N 3.29Å; S24-E26 PolarHBondContact O-N 3.06Å; S24-K27 WeakPolarHBondContact O-CA 3.49Å; S24-K27 PolarHBondContact O-N 3.49Å; S24-K27 VanDerWaalsContact OG-CB 3.29Å; S24-K27 WeakPolarHBondContact OG-CB 3.34Å; S24-K27 PolarHBondContact OG-N 2.86Å; S24-A28 PolarHBondContact O-N 3.03Å
25P74.3Confident67.5Low109 Ų109117 Ų11771%0.70862%0.619SS**Hα-helixtrans-52.7-35.5-176.720.7-32.7000111.5A28 E29P25-A28 PolarHBondContact O-N 3.29Å; P25-E29 PolarHBondContact O-N 2.68Å
26E77.2Confident69.2Low144 Ų144115.7 Ų115.767%0.67361%0.608SS**Hα-helixtrans-57.6-50.3172-62.4162.8175.900112.3S24 A28 E29 E30S24-E26 PolarHBondContact O-N 3.06Å; E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.26Å; E26-E29 PolarHBondContact O-N 3.31Å; E26-E30 WeakPolarHBondContact O-CG 3.46Å; E26-E30 PolarHBondContact O-N 3.43Å
27K81.6Confident71Confident107 Ų107118.7 Ų118.747%0.46560%0.6SS.*Hα-helixtrans-68.7-29.1178.9-171.4172.8-172.3175.30112.7I23 S24 E30 L31I23-K27 HydrophobicContact CG2-CB 4.04Å; I23-K27 HydrophobicContact CG2-CG 4.38Å; S24-K27 WeakPolarHBondContact O-CA 3.49Å; S24-K27 PolarHBondContact O-N 3.49Å; S24-K27 VanDerWaalsContact OG-CB 3.29Å; S24-K27 WeakPolarHBondContact OG-CB 3.34Å; S24-K27 PolarHBondContact OG-N 2.86Å; K27-E30 PolarHBondContact O-N 3.2Å; K27-L31 PolarHBondContact O-N 3.22Å
28A80.9Confident72.5Confident45 Ų45115.4 Ų115.437%0.37259%0.586SS.*Hα-helixtrans-67.8-43.2173.800000110.4I23 S24 P25 E26 E30 L31 K32I23-A28 HydrophobicContact CG2-CB 3.25Å; S24-A28 PolarHBondContact O-N 3.03Å; P25-A28 PolarHBondContact O-N 3.29Å; E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.26Å; A28-E30 VanDerWaalsContact C-N 3.34Å; A28-L31 PolarHBondContact O-N 3.35Å; A28-K32 PolarHBondContact O-N 2.9Å
29E84.2Confident74.2Confident129 Ų129114.2 Ų114.260%0.60358%0.58SS**Hα-helixtrans-63.6-41.8175.1-168.5172.8-17800111P25 E26 L31 K32 L33P25-E29 PolarHBondContact O-N 2.68Å; E26-E29 PolarHBondContact O-N 3.31Å; E29-L31 PolarHBondContact O-N 3.4Å; E29-K32 WeakPolarHBondContact O-CB 3.4Å; E29-K32 PolarHBondContact O-N 3.22Å; E29-L33 HydrophobicContact CG-CD1 4.33Å; E29-L33 WeakPolarHBondContact O-CB 3.32Å; E29-L33 VanDerWaalsContact O-CG 3.31Å; E29-L33 WeakPolarHBondContact O-CG 3.45Å; E29-L33 PolarHBondContact O-N 3.01Å
30E82.2Confident75.4Confident125 Ų125109 Ų10958%0.58457%0.568SS**Hα-helixtrans-60.9-41.1174.2-72.4-179.8170.800113E26 K27 A28 L33 L34E26-E30 WeakPolarHBondContact O-CG 3.46Å; E26-E30 PolarHBondContact O-N 3.43Å; K27-E30 PolarHBondContact O-N 3.2Å; A28-E30 VanDerWaalsContact C-N 3.34Å; E30-L33 PolarHBondContact O-N 3.47Å; E30-L34 WeakPolarHBondContact O-CB 3.25Å; E30-L34 PolarHBondContact O-N 2.87Å
31L84.3Confident76.6Confident86 Ų86103.1 Ų103.145%0.4555%0.549SS..Hα-helixtrans-64.9-39.2174.5-78.3172.3000112.2I23 K27 A28 E29 L33 L34 A35I23-L31 HydrophobicContact CD1-CD1 4.05Å; K27-L31 PolarHBondContact O-N 3.22Å; A28-L31 PolarHBondContact O-N 3.35Å; E29-L31 PolarHBondContact O-N 3.4Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L31-L34 HydrophobicContact CD2-CD2 4.45Å; L31-L34 PolarHBondContact O-N 3.33Å; L31-A35 WeakPolarHBondContact O-CB 3.35Å; L31-A35 PolarHBondContact O-N 3.15Å
32K87.5Confident77.2Confident138 Ų138105.9 Ų105.960%0.655%0.549SS*.Hα-helixtrans-64.6-38.2174.3-172.9175.3-176.3174.20111.3A28 E29 K36A28-K32 PolarHBondContact O-N 2.9Å; E29-K32 WeakPolarHBondContact O-CB 3.4Å; E29-K32 PolarHBondContact O-N 3.22Å; K32-K36 WeakPolarHBondContact O-CG 3.43Å; K32-K36 PolarHBondContact O-N 3.2Å; K32-K36 VanDerWaalsContact O-N 3.11Å
33L81.7Confident77.7Confident79 Ų79101.3 Ų101.341%0.41453%0.531SS..Hα-helixtrans-68.8-41.1174.5-70.8172000111.3E29 E30 L31 A35 K36 Y37E29-L33 HydrophobicContact CG-CD1 4.33Å; E29-L33 WeakPolarHBondContact O-CB 3.32Å; E29-L33 VanDerWaalsContact O-CG 3.31Å; E29-L33 WeakPolarHBondContact O-CG 3.45Å; E29-L33 PolarHBondContact O-N 3.01Å; E30-L33 PolarHBondContact O-N 3.47Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 2.88Å; L33-K36 PolarHBondContact O-N 2.73Å; L33-Y37 HydrophobicContact CD2-CD2 4.44Å; L33-Y37 HydrophobicContact CD2-CE2 4.09Å; L33-Y37 WeakPolarHBondContact O-CB 3.47Å; L33-Y37 VanDerWaalsContact O-CD2 3.24Å; L33-Y37 WeakPolarHBondContact O-CD2 3.39Å; L33-Y37 PolarHBondContact O-N 3.14Å
34L82.3Confident78Confident79 Ų79100 Ų10041%0.41454%0.539SS..Hα-helixtrans-60.3-44.6175.1-169.583.8000111.6E30 L31 Y37 P38 A41E30-L34 WeakPolarHBondContact O-CB 3.25Å; E30-L34 PolarHBondContact O-N 2.87Å; L31-L34 HydrophobicContact CD2-CD2 4.45Å; L31-L34 PolarHBondContact O-N 3.33Å; L34-Y37 CarbonylContact O-C 3.5Å; L34-Y37 PolarHBondContact O-N 3.27Å; L34-P38 WeakPolarHBondContact O-CA 3.18Å; L34-A41 HydrophobicContact CD1-CB 3.48Å; L34-A41 VanDerWaalsContact CD1-CB 3.48Å
35A83.7Confident78Confident82 Ų82103.5 Ų103.568%0.67855%0.55SS*.Hα-helixtrans-64.7-38.2177.600000112.4L31 L33L31-A35 WeakPolarHBondContact O-CB 3.35Å; L31-A35 PolarHBondContact O-N 3.15Å; L33-A35 PolarHBondContact O-N 2.88Å
36K87.8Confident78.1Confident131 Ų131105.1 Ų105.157%0.5755%0.546SS*.Hα-helixtrans-69.2-35.5174.1-76.4-178.7175.2-171.80112.7K32 L33 P38K32-K36 WeakPolarHBondContact O-CG 3.43Å; K32-K36 PolarHBondContact O-N 3.2Å; K32-K36 VanDerWaalsContact O-N 3.11Å; L33-K36 PolarHBondContact O-N 2.73Å; K36-P38 VanDerWaalsContact C-CD 3.47Å; K36-P38 WeakPolarHBondContact O-CD 3.18Å
37Y80.7Confident78.4Confident128 Ų128101.4 Ų101.450%0.50254%0.536SS..  trans-123.169.4-175.1-54.8-73.7000110.5L33 L34 N39 I40L33-Y37 HydrophobicContact CD2-CD2 4.44Å; L33-Y37 HydrophobicContact CD2-CE2 4.09Å; L33-Y37 WeakPolarHBondContact O-CB 3.47Å; L33-Y37 VanDerWaalsContact O-CD2 3.24Å; L33-Y37 WeakPolarHBondContact O-CD2 3.39Å; L33-Y37 PolarHBondContact O-N 3.14Å; L34-Y37 CarbonylContact O-C 3.5Å; L34-Y37 PolarHBondContact O-N 3.27Å; Y37-N39 PolarHBondContact O-N 3.13Å; Y37-I40 HydrophobicContact CG-CD1 4.36Å; Y37-I40 PolarHBondContact O-N 3.1Å
38P79.2Confident78.7Confident70 Ų70102.6 Ų102.646%0.45554%0.543SS..THydrogen-bonded Turntrans-61.8-13.5-175.825.9-35.9000113.3L34 K36 K42L34-P38 WeakPolarHBondContact O-CA 3.18Å; K36-P38 VanDerWaalsContact C-CD 3.47Å; K36-P38 WeakPolarHBondContact O-CD 3.18Å; P38-K42 WeakPolarHBondContact O-CE 3.03Å; P38-K42 WeakPolarHBondContact O-CG 3.02Å
39N77.4Confident79.1Confident108 Ų108108.3 Ų108.358%0.57856%0.56SS**THydrogen-bonded Turntrans-93.5-9.6-178.7-56.1-37.7000113.3Y37 A41 K42Y37-N39 PolarHBondContact O-N 3.13Å; N39-A41 VanDerWaalsContact C-N 3.35Å; N39-A41 PolarHBondContact O-N 2.71Å; N39-K42 PolarHBondContact OD1-NZ 3.42Å
40I72.8Confident79.3Confident115 Ų115105.7 Ų105.759%0.5955%0.549SS*.SBendtrans-69.7-32.2-177.3-122.288.2000112.1Y37Y37-I40 HydrophobicContact CG-CD1 4.36Å; Y37-I40 PolarHBondContact O-N 3.1Å
41A67.8Low79.6Confident57 Ų57102.6 Ų102.647%0.47154%0.535SS..SBendtrans-97-20.6-172.800000114.3L34 N39 N43 G44L34-A41 HydrophobicContact CD1-CB 3.48Å; L34-A41 VanDerWaalsContact CD1-CB 3.48Å; N39-A41 VanDerWaalsContact C-N 3.35Å; N39-A41 PolarHBondContact O-N 2.71Å; A41-N43 PolarHBondContact O-N 2.84Å; A41-N43 VanDerWaalsContact O-N 3.14Å; A41-G44 PolarHBondContact O-N 3.45Å
42K67.3Low80Confident158 Ų158104.8 Ų104.869%0.68754%0.541SS*.THydrogen-bonded Turntrans-64.6-25-167.3-72.6176.8-177.8164.90114.4P38 N39P38-K42 WeakPolarHBondContact O-CE 3.03Å; P38-K42 WeakPolarHBondContact O-CG 3.02Å; N39-K42 PolarHBondContact OD1-NZ 3.42Å
43N66.1Low80Confident98 Ų98106 Ų10652%0.52454%0.542SS..THydrogen-bonded Turntrans-120.61.5-176.956.61.5000113.1A41 Q45A41-N43 PolarHBondContact O-N 2.84Å; A41-N43 VanDerWaalsContact O-N 3.14Å; N43-Q45 HydrophobicContact CB-CB 4.33Å; N43-Q45 HydrophobicContact CB-CG 4.06Å; N43-Q45 WeakPolarHBondContact O-CG 3.18Å; N43-Q45 PolarHBondContact O-N 3.33Å; N43-Q45 PolarHBondContact OD1-N 3.01Å
44G67.6Low80.3Confident60 Ų60107.1 Ų107.162%0.61955%0.548SS*.  trans53.910.7-17400000113.7A41 F46A41-G44 PolarHBondContact O-N 3.45Å; G44-F46 PolarHBondContact O-N 3.08Å
45Q70.8Confident80.5Confident126 Ų126110.7 Ų110.759%0.58956%0.562SS**  trans-97.896.1-174-61.2-135.7-51.800106.7N43N43-Q45 HydrophobicContact CB-CB 4.33Å; N43-Q45 HydrophobicContact CB-CG 4.06Å; N43-Q45 WeakPolarHBondContact O-CG 3.18Å; N43-Q45 PolarHBondContact O-N 3.33Å; N43-Q45 PolarHBondContact OD1-N 3.01Å
46F76.3Confident80.6Confident142 Ų142111.6 Ų111.662%0.62355%0.552SS**  trans-51.5147.8160.4-63.7-76.7000109.1G44 Q48 Q51G44-F46 PolarHBondContact O-N 3.08Å; F46-Q48 PolarHBondContact O-N 3.47Å; F46-Q51 HydrophobicContact CB-CG 3.96Å
47S85.4Confident80.2Confident67 Ų67113.8 Ų113.847%0.46956%0.557SS.*  trans-55.1130.4-178.774.10000109.8F49 L50 Q51S47-F49 PolarHBondContact O-N 3.06Å; S47-F49 VanDerWaalsContact O-N 3.1Å; S47-L50 WeakPolarHBondContact O-CA 3.27Å; S47-L50 WeakPolarHBondContact O-CB 3.33Å; S47-L50 PolarHBondContact O-N 2.76Å; S47-L50 WeakPolarHBondContact OG-CB 3.32Å; S47-L50 PolarHBondContact OG-N 3.47Å; S47-Q51 PolarHBondContact O-N 3.43Å
48Q86.5Confident80.3Confident132 Ų132116.3 Ų116.362%0.61757%0.57SS**Hα-helixtrans-53.5-34.9-180-72.9-73.712.100111.6F46 Q51 K52F46-Q48 PolarHBondContact O-N 3.47Å; Q48-Q51 PolarHBondContact O-N 3.42Å; Q48-Q51 VanDerWaalsContact OE1-OE1 3.14Å; Q48-K52 WeakPolarHBondContact O-CB 3.15Å; Q48-K52 PolarHBondContact O-N 2.54Å
49F90.4Very high80.7Confident164 Ų164123 Ų12372%0.71959%0.588SS**Hα-helixtrans-60.9-47.2173.2-178.8-101.6000112.5S47 K52 R53S47-F49 PolarHBondContact O-N 3.06Å; S47-F49 VanDerWaalsContact O-N 3.1Å; F49-K52 PolarHBondContact O-N 3.09Å; F49-R53 PolarHBondContact O-N 2.82Å
50L87.6Confident81Confident74 Ų74121.8 Ų121.839%0.38758%0.578SS.*Hα-helixtrans-66.1-42.8177.8-179.761.6000111.3S47 K52 R53 L54S47-L50 WeakPolarHBondContact O-CA 3.27Å; S47-L50 WeakPolarHBondContact O-CB 3.33Å; S47-L50 PolarHBondContact O-N 2.76Å; S47-L50 WeakPolarHBondContact OG-CB 3.32Å; S47-L50 PolarHBondContact OG-N 3.47Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.49Å; L50-R53 CarbonylContact O-C 3.1Å; L50-R53 WeakPolarHBondContact O-CB 3.35Å; L50-R53 PolarHBondContact O-N 2.82Å; L50-R53 VanDerWaalsContact O-N 3.1Å; L50-L54 HydrophobicContact CD1-CD1 4.38Å; L50-L54 HydrophobicContact CD1-CG 4.2Å; L50-L54 HydrophobicContact CG-CD1 4.07Å; L50-L54 HydrophobicContact CG-CG 4.32Å; L50-L54 WeakPolarHBondContact O-CB 3.42Å; L50-L54 WeakPolarHBondContact O-CG 3.49Å; L50-L54 PolarHBondContact O-N 2.86Å
51Q88.9Confident81.7Confident61 Ų61120.8 Ų120.829%0.28557%0.574SS.*Hα-helixtrans-57.4-48.8175-70.7-177.9-3100110.5F46 S47 Q48 R53 L54 H55F46-Q51 HydrophobicContact CB-CG 3.96Å; S47-Q51 PolarHBondContact O-N 3.43Å; Q48-Q51 PolarHBondContact O-N 3.42Å; Q48-Q51 VanDerWaalsContact OE1-OE1 3.14Å; Q51-R53 VanDerWaalsContact C-N 3.27Å; Q51-R53 PolarHBondContact O-N 2.82Å; Q51-L54 PolarHBondContact O-N 2.83Å; Q51-H55 PolarHBondContact O-N 3.33Å; Q51-H55 PolarHBondContact O-ND1 2.91Å
52K91.6Very high83Confident132 Ų132122 Ų12257%0.57458%0.579SS**Hα-helixtrans-56.5-42.2175.3-176.8175.3178178.40111.7Q48 F49 L50 H55 Q56Q48-K52 WeakPolarHBondContact O-CB 3.15Å; Q48-K52 PolarHBondContact O-N 2.54Å; F49-K52 PolarHBondContact O-N 3.09Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.49Å; K52-H55 PolarHBondContact O-N 2.85Å; K52-Q56 VanDerWaalsContact CE-NE2 3.27Å; K52-Q56 WeakPolarHBondContact O-CB 3.32Å; K52-Q56 WeakPolarHBondContact O-CG 3.5Å; K52-Q56 PolarHBondContact O-N 3.48Å
53R89.3Confident84.3Confident163 Ų163115.7 Ų115.762%0.61556%0.559SS**Hα-helixtrans-68-37.9178.8-171.360.6172.6-176.7-0.9112.9F49 L50 Q51 Q56F49-R53 PolarHBondContact O-N 2.82Å; L50-R53 CarbonylContact O-C 3.1Å; L50-R53 WeakPolarHBondContact O-CB 3.35Å; L50-R53 PolarHBondContact O-N 2.82Å; L50-R53 VanDerWaalsContact O-N 3.1Å; Q51-R53 VanDerWaalsContact C-N 3.27Å; Q51-R53 PolarHBondContact O-N 2.82Å; R53-Q56 CarbonylContact O-C 3.58Å; R53-Q56 PolarHBondContact O-N 3.4Å
54L86.4Confident85.5Confident103 Ų103113.9 Ų113.954%0.53955%0.549SS..Hα-helixtrans-69.4-41.4175.8-73.6175.5000111.4L50 Q51 Q56 R57L50-L54 HydrophobicContact CD1-CD1 4.38Å; L50-L54 HydrophobicContact CD1-CG 4.2Å; L50-L54 HydrophobicContact CG-CD1 4.07Å; L50-L54 HydrophobicContact CG-CG 4.32Å; L50-L54 WeakPolarHBondContact O-CB 3.42Å; L50-L54 WeakPolarHBondContact O-CG 3.49Å; L50-L54 PolarHBondContact O-N 2.86Å; Q51-L54 PolarHBondContact O-N 2.83Å; L54-Q56 VanDerWaalsContact C-N 3.26Å; L54-Q56 PolarHBondContact O-N 3.49Å; L54-R57 WeakPolarHBondContact O-CD 3.36Å; L54-R57 WeakPolarHBondContact O-CG 3.14Å; L54-R57 PolarHBondContact O-N 3.36Å
55H86.3Confident86.7Confident154 Ų154117.3 Ų117.371%0.71354%0.544SS*.Hα-helixtrans-66.4-30173.3-64.3108.4000112.1Q51 K52 R57Q51-H55 PolarHBondContact O-N 3.33Å; Q51-H55 PolarHBondContact O-ND1 2.91Å; K52-H55 PolarHBondContact O-N 2.85Å; H55-R57 PolarHBondContact O-N 3.19Å
56Q85.9Confident87.7Confident101 Ų101116.8 Ų116.847%0.47255%0.545SS..THydrogen-bonded Turntrans-77.939.5171.4-69.6175.72.800113K52 R53 L54 K58K52-Q56 VanDerWaalsContact CE-NE2 3.27Å; K52-Q56 WeakPolarHBondContact O-CB 3.32Å; K52-Q56 WeakPolarHBondContact O-CG 3.5Å; K52-Q56 PolarHBondContact O-N 3.48Å; R53-Q56 CarbonylContact O-C 3.58Å; R53-Q56 PolarHBondContact O-N 3.4Å; L54-Q56 VanDerWaalsContact C-N 3.26Å; L54-Q56 PolarHBondContact O-N 3.49Å; Q56-K58 PolarHBondContact O-N 3.42Å; Q56-K58 VanDerWaalsContact O-N 3.14Å
57R79.7Confident88.4Confident176 Ų176114.7 Ų114.766%0.66454%0.539SS*.  trans-61.2122.2164.2-57.6-53.8-81.21109.2107L54 H55 Y59L54-R57 WeakPolarHBondContact O-CD 3.36Å; L54-R57 WeakPolarHBondContact O-CG 3.14Å; L54-R57 PolarHBondContact O-N 3.36Å; H55-R57 PolarHBondContact O-N 3.19Å; R57-Y59 PolarHBondContact O-N 3.35Å
58K83.4Confident88.5Confident181 Ų181112.4 Ų112.479%0.78752%0.524SS*.  trans-63.9109.3168.5-63.1-16571.6178.20106.7Q56 F60Q56-K58 PolarHBondContact O-N 3.42Å; Q56-K58 VanDerWaalsContact O-N 3.14Å; K58-F60 PolarHBondContact O-N 2.94Å
59Y87.5Confident88.4Confident212 Ų212114.2 Ų114.283%0.83153%0.529SS*.PPolyproline II helixtrans-59.4130.8161.7-65.2-77.6000106.6R57 D61R57-Y59 PolarHBondContact O-N 3.35Å; Y59-D61 PolarHBondContact O-N 3.33Å
60F84Confident88.2Confident81 Ų81110.6 Ų110.636%0.35553%0.53SS..PPolyproline II helixtrans-77.8116.9-177-175.9-71000107.1K58 D64 Y65 A68K58-F60 PolarHBondContact O-N 2.94Å; F60-D64 HydrophobicContact CD1-CB 4.06Å; F60-D64 HydrophobicContact CD2-CB 4.19Å; F60-D64 HydrophobicContact CE1-CB 3.55Å; F60-D64 HydrophobicContact CE2-CB 3.78Å; F60-D64 HydrophobicContact CG-CB 4.35Å; F60-D64 HydrophobicContact CZ-CB 3.46Å; F60-D64 VanDerWaalsContact CZ-CB 3.46Å; F60-D64 WeakPolarHBondContact CZ-O 3.48Å; F60-Y65 AromaticContact CD1-CD1 3.73Å; F60-Y65 HydrophobicContact CD1-CD1 3.73Å; F60-Y65 AromaticContact CD1-CD2 3.27Å; F60-Y65 HydrophobicContact CD1-CD2 3.27Å; F60-Y65 AromaticContact CD1-CE1 3.52Å; F60-Y65 HydrophobicContact CD1-CE1 3.52Å; F60-Y65 AromaticContact CD1-CE2 3.05Å; F60-Y65 HydrophobicContact CD1-CE2 3.05Å; F60-Y65 AromaticContact CD1-CG 3.59Å; F60-Y65 HydrophobicContact CD1-CG 3.59Å; F60-Y65 AromaticContact CD1-CZ 3.16Å; F60-Y65 VanDerWaalsContact CE1-CB 3.47Å; F60-Y65 AromaticContact CE1-CD1 3.08Å; F60-Y65 HydrophobicContact CE1-CD1 3.08Å; F60-Y65 AromaticContact CE1-CD2 3.13Å; F60-Y65 HydrophobicContact CE1-CD2 3.13Å; F60-Y65 AromaticContact CE1-CE1 3.35Å; F60-Y65 HydrophobicContact CE1-CE1 3.35Å; F60-Y65 AromaticContact CE1-CE2 3.42Å; F60-Y65 HydrophobicContact CE1-CE2 3.42Å; F60-Y65 VanDerWaalsContact CE1-CE2 3.42Å; F60-Y65 AromaticContact CE1-CG 2.93Å; F60-Y65 HydrophobicContact CE1-CG 2.93Å; F60-Y65 AromaticContact CE1-CZ 3.5Å; F60-Y65 VanDerWaalsContact CE1-CZ 3.5Å; F60-Y65 HydrophobicContact CE2-CE1 4.49Å; F60-Y65 HydrophobicContact CG-CE1 4.2Å; F60-Y65 HydrophobicContact CG-CE2 4.08Å; F60-Y65 AromaticContact CG-CZ 3.85Å; F60-Y65 AromaticContact CZ-CD1 3.51Å; F60-Y65 HydrophobicContact CZ-CD1 3.51Å; F60-Y65 HydrophobicContact CZ-CD2 4.32Å; F60-Y65 AromaticContact CZ-CE1 3.83Å; F60-Y65 HydrophobicContact CZ-CE1 3.83Å; F60-Y65 AromaticContact CZ-CG 3.76Å; F60-Y65 HydrophobicContact CZ-CG 3.76Å; F60-A68 HydrophobicContact CZ-CB 4.28Å
61D88Confident88Confident95 Ų95114 Ų11451%0.50854%0.542SS..PPolyproline II helixtrans-71.8149.2-179.8-177.514.8000110.4Y59 G63 D64 Y65Y59-D61 PolarHBondContact O-N 3.33Å; D61-G63 PolarHBondContact O-N 3.39Å; D61-G63 VanDerWaalsContact O-N 3.16Å; D61-G63 PolarHBondContact OD1-N 3.16Å; D61-D64 WeakPolarHBondContact O-CA 3.15Å; D61-D64 WeakPolarHBondContact O-CB 3.42Å; D61-D64 PolarHBondContact O-N 2.99Å; D61-Y65 PolarHBondContact O-N 2.72Å
62S94.5Very high87Confident82 Ų82113.7 Ų113.757%0.57356%0.555SS**Hα-helixtrans-49.2-34.6166.263.40000112.7Y65 N66S62-Y65 PolarHBondContact O-N 3.19Å; S62-N66 PolarHBondContact O-N 3.26Å
63G94Very high85.3Confident26 Ų26112.9 Ų112.927%0.26856%0.556SS.*Hα-helixtrans-65.3-40.3173.300000113.5D61 Y65 N66 M67D61-G63 PolarHBondContact O-N 3.39Å; D61-G63 VanDerWaalsContact O-N 3.16Å; D61-G63 PolarHBondContact OD1-N 3.16Å; G63-Y65 PolarHBondContact O-N 3.45Å; G63-N66 PolarHBondContact O-N 2.71Å; G63-M67 PolarHBondContact O-N 3.39Å
64D92.1Very high83.6Confident59 Ų59114.2 Ų114.232%0.31657%0.567SS.*Hα-helixtrans-63.7-30.5175.1-72.5-28.5000111F60 D61 M67 A68F60-D64 HydrophobicContact CD1-CB 4.06Å; F60-D64 HydrophobicContact CD2-CB 4.19Å; F60-D64 HydrophobicContact CE1-CB 3.55Å; F60-D64 HydrophobicContact CE2-CB 3.78Å; F60-D64 HydrophobicContact CG-CB 4.35Å; F60-D64 HydrophobicContact CZ-CB 3.46Å; F60-D64 VanDerWaalsContact CZ-CB 3.46Å; F60-D64 WeakPolarHBondContact CZ-O 3.48Å; D61-D64 WeakPolarHBondContact O-CA 3.15Å; D61-D64 WeakPolarHBondContact O-CB 3.42Å; D61-D64 PolarHBondContact O-N 2.99Å; D64-M67 PolarHBondContact O-N 3.34Å; D64-M67 WeakPolarHBondContact OD1-CE 3.07Å; D64-A68 WeakPolarHBondContact O-CB 3.44Å; D64-A68 PolarHBondContact O-N 3.01Å
65Y92.4Very high82Confident132 Ų132116.8 Ų116.852%0.51857%0.574SS.*Hα-helixtrans-70.3-44.6-175.1-89.4-55000107.7F60 D61 S62 G63 M67 A68 K69F60-Y65 AromaticContact CD1-CD1 3.73Å; F60-Y65 HydrophobicContact CD1-CD1 3.73Å; F60-Y65 AromaticContact CD1-CD2 3.27Å; F60-Y65 HydrophobicContact CD1-CD2 3.27Å; F60-Y65 AromaticContact CD1-CE1 3.52Å; F60-Y65 HydrophobicContact CD1-CE1 3.52Å; F60-Y65 AromaticContact CD1-CE2 3.05Å; F60-Y65 HydrophobicContact CD1-CE2 3.05Å; F60-Y65 AromaticContact CD1-CG 3.59Å; F60-Y65 HydrophobicContact CD1-CG 3.59Å; F60-Y65 AromaticContact CD1-CZ 3.16Å; F60-Y65 VanDerWaalsContact CE1-CB 3.47Å; F60-Y65 AromaticContact CE1-CD1 3.08Å; F60-Y65 HydrophobicContact CE1-CD1 3.08Å; F60-Y65 AromaticContact CE1-CD2 3.13Å; F60-Y65 HydrophobicContact CE1-CD2 3.13Å; F60-Y65 AromaticContact CE1-CE1 3.35Å; F60-Y65 HydrophobicContact CE1-CE1 3.35Å; F60-Y65 AromaticContact CE1-CE2 3.42Å; F60-Y65 HydrophobicContact CE1-CE2 3.42Å; F60-Y65 VanDerWaalsContact CE1-CE2 3.42Å; F60-Y65 AromaticContact CE1-CG 2.93Å; F60-Y65 HydrophobicContact CE1-CG 2.93Å; F60-Y65 AromaticContact CE1-CZ 3.5Å; F60-Y65 VanDerWaalsContact CE1-CZ 3.5Å; F60-Y65 HydrophobicContact CE2-CE1 4.49Å; F60-Y65 HydrophobicContact CG-CE1 4.2Å; F60-Y65 HydrophobicContact CG-CE2 4.08Å; F60-Y65 AromaticContact CG-CZ 3.85Å; F60-Y65 AromaticContact CZ-CD1 3.51Å; F60-Y65 HydrophobicContact CZ-CD1 3.51Å; F60-Y65 HydrophobicContact CZ-CD2 4.32Å; F60-Y65 AromaticContact CZ-CE1 3.83Å; F60-Y65 HydrophobicContact CZ-CE1 3.83Å; F60-Y65 AromaticContact CZ-CG 3.76Å; F60-Y65 HydrophobicContact CZ-CG 3.76Å; D61-Y65 PolarHBondContact O-N 2.72Å; S62-Y65 PolarHBondContact O-N 3.19Å; G63-Y65 PolarHBondContact O-N 3.45Å; Y65-M67 VanDerWaalsContact C-N 3.34Å; Y65-M67 PolarHBondContact O-N 3.14Å; Y65-A68 PolarHBondContact O-N 3.35Å; Y65-K69 VanDerWaalsContact O-CB 3.27Å; Y65-K69 WeakPolarHBondContact O-CB 3.44Å; Y65-K69 WeakPolarHBondContact O-CG 3.43Å; Y65-K69 PolarHBondContact O-N 3.05Å
66N91.3Very high80.1Confident116 Ų116113.9 Ų113.962%0.6257%0.569SS**Hα-helixtrans-62-44.1177.8-65-18.8000111S62 G63 K69 A70S62-N66 PolarHBondContact O-N 3.26Å; G63-N66 PolarHBondContact O-N 2.71Å; N66-K69 PolarHBondContact O-N 3.39Å; N66-A70 VanDerWaalsContact O-CB 3.25Å; N66-A70 WeakPolarHBondContact O-CB 3.24Å; N66-A70 PolarHBondContact O-N 3.49Å
67M90.7Very high78.1Confident98 Ų98114.2 Ų114.248%0.48359%0.589SS.*Hα-helixtrans-65.4-43.9176-71.7-170.1-69.800112.6G63 D64 Y65 K69 A70 K71G63-M67 PolarHBondContact O-N 3.39Å; D64-M67 PolarHBondContact O-N 3.34Å; D64-M67 WeakPolarHBondContact OD1-CE 3.07Å; Y65-M67 VanDerWaalsContact C-N 3.34Å; Y65-M67 PolarHBondContact O-N 3.14Å; M67-K69 VanDerWaalsContact C-N 3.35Å; M67-A70 PolarHBondContact O-N 2.86Å; M67-K71 WeakPolarHBondContact O-CB 3.48Å; M67-K71 WeakPolarHBondContact O-CG 3.37Å; M67-K71 PolarHBondContact O-N 3.41Å
68A88.2Confident76.1Confident18 Ų18110.4 Ų110.415%0.14959%0.585CS.*Hα-helixtrans-65-40.1178.500000111.8F60 D64 Y65 K71 G72 F75F60-A68 HydrophobicContact CZ-CB 4.28Å; D64-A68 WeakPolarHBondContact O-CB 3.44Å; D64-A68 PolarHBondContact O-N 3.01Å; Y65-A68 PolarHBondContact O-N 3.35Å; A68-K71 PolarHBondContact O-N 3.19Å; A68-G72 PolarHBondContact O-N 2.93Å; A68-F75 HydrophobicContact CB-CE2 4.01Å; A68-F75 HydrophobicContact CB-CZ 4.12Å
69K85.2Confident74Confident170 Ų170106 Ų10674%0.73958%0.577SS**Hα-helixtrans-63.9-47.3173.6-73.9-72.2-173.2177.40111.5Y65 N66 M67 K71 G72Y65-K69 VanDerWaalsContact O-CB 3.27Å; Y65-K69 WeakPolarHBondContact O-CB 3.44Å; Y65-K69 WeakPolarHBondContact O-CG 3.43Å; Y65-K69 PolarHBondContact O-N 3.05Å; N66-K69 PolarHBondContact O-N 3.39Å; M67-K69 VanDerWaalsContact C-N 3.35Å; K69-K71 VanDerWaalsContact C-N 3.32Å; K69-K71 PolarHBondContact O-N 2.8Å; K69-G72 PolarHBondContact O-N 3.48Å; K69-G72 VanDerWaalsContact O-N 3.08Å
70A86.5Confident72.1Confident89 Ų89101.6 Ų101.674%0.73658%0.575SS**Hα-helixtrans-64.2-38177.900000112.3N66 M67 G72N66-A70 VanDerWaalsContact O-CB 3.25Å; N66-A70 WeakPolarHBondContact O-CB 3.24Å; N66-A70 PolarHBondContact O-N 3.49Å; M67-A70 PolarHBondContact O-N 2.86Å; A70-G72 PolarHBondContact O-N 3.1Å
71K82Confident70.1Confident145 Ų145101.2 Ų101.263%0.6359%0.586SS**THydrogen-bonded Turntrans-57.5-19.7174-85.7176.1-174.9-179.70112.3M67 A68 K69 L73M67-K71 WeakPolarHBondContact O-CB 3.48Å; M67-K71 WeakPolarHBondContact O-CG 3.37Å; M67-K71 PolarHBondContact O-N 3.41Å; A68-K71 PolarHBondContact O-N 3.19Å; K69-K71 VanDerWaalsContact C-N 3.32Å; K69-K71 PolarHBondContact O-N 2.8Å; K71-L73 HydrophobicContact CB-CD1 3.67Å; K71-L73 HydrophobicContact CD-CD1 4.37Å; K71-L73 HydrophobicContact CG-CD1 4.23Å; K71-L73 PolarHBondContact O-N 2.96Å
72G67.8Low67.9Low55 Ų55103.9 Ų103.957%0.56760%0.6SS**  trans59.63.9176.400000113.9A68 K69 A70 K74A68-G72 PolarHBondContact O-N 2.93Å; K69-G72 PolarHBondContact O-N 3.48Å; K69-G72 VanDerWaalsContact O-N 3.08Å; A70-G72 PolarHBondContact O-N 3.1Å; G72-K74 PolarHBondContact O-N 3.18Å
73L55.7Low65.7Low115 Ų115109.1 Ų109.160%0.60261%0.613SS**  trans-66.693.7171.7-82.8113.6000105K71 F75K71-L73 HydrophobicContact CB-CD1 3.67Å; K71-L73 HydrophobicContact CD-CD1 4.37Å; K71-L73 HydrophobicContact CG-CD1 4.23Å; K71-L73 PolarHBondContact O-N 2.96Å; L73-F75 PolarHBondContact O-N 3.44Å
74K53.3Low63Low190 Ų190112.5 Ų112.583%0.82664%0.639SS**  trans-46.2102.2150.2-63.8168.3-175.2161.50103.6G72 P76G72-K74 PolarHBondContact O-N 3.18Å; K74-P76 WeakPolarHBondContact O-CD 3.46Å
75F53.7Low60.6Low157 Ų157114.3 Ų114.369%0.68966%0.662SS**  trans-56112.4167.6-70.1-80.8000103.7A68 L73 A77A68-F75 HydrophobicContact CB-CE2 4.01Å; A68-F75 HydrophobicContact CB-CZ 4.12Å; L73-F75 PolarHBondContact O-N 3.44Å; F75-A77 PolarHBondContact O-N 2.86Å
76P47.4Very low58.3Low94 Ų94115.1 Ų115.161%0.6167%0.67SS**  trans-59.3119.9169.228.5-32.1000103.6K74 T78K74-P76 WeakPolarHBondContact O-CD 3.46Å; P76-T78 WeakPolarHBondContact CB-OG1 3.4Å; P76-T78 PolarHBondContact O-N 3.3Å
77A42.2Very low56.2Low108 Ų108114.9 Ų114.989%0.89368%0.678SS**SBendtrans-66.172.4163.200000105.7F75F75-A77 PolarHBondContact O-N 2.86Å
78T37.7Very low54Low96 Ų96117.2 Ų117.259%0.58969%0.692SS**SBendtrans-159.4124.4-174.1-17.40000106P76P76-T78 WeakPolarHBondContact CB-OG1 3.4Å; P76-T78 PolarHBondContact O-N 3.3Å
79S39.7Very low52.2Low89 Ų89120.7 Ų120.762%0.62272%0.721SS**  trans-36.4149.4-177.145.90000114.8A81S79-A81 PolarHBondContact O-N 2.99Å
80P48.8Very low50.7Low119 Ų119120 Ų12077%0.77373%0.725SS**THydrogen-bonded Turntrans-68.368.7-174.631.2-37.9000113.5F83P80-F83 HydrophobicContact CB-CE2 4.36Å
81A40.7Very low49Very low73 Ų73120 Ų12060%0.60373%0.733SS**THydrogen-bonded Turntrans-121-17.9178.300000114.5S79 F83S79-A81 PolarHBondContact O-N 2.99Å; A81-F83 PolarHBondContact O-N 3.4Å
82D42.8Very low48.2Very low150 Ų150117.9 Ų117.980%0.80273%0.728SS**  trans-107.363.4-174.5-59.6-29.8000112.4A84D82-A84 PolarHBondContact O-N 2.95Å
83F47.4Very low47.8Very low192 Ų192118.9 Ų118.984%0.84273%0.725SS**  trans-89.378.6166.1-76.7-87.3000109.6P80 A81P80-F83 HydrophobicContact CB-CE2 4.36Å; A81-F83 PolarHBondContact O-N 3.4Å
84A37.2Very low48.3Very low98 Ų98119.9 Ų119.981%0.8173%0.729SS**  trans-156.667.9176.100000114.2D82D82-A84 PolarHBondContact O-N 2.95Å
85A42.8Very low49Very low96 Ų96115.2 Ų115.279%0.79372%0.72SS**  trans168.2132.415200000107.5
86Q44.3Very low49.7Very low149 Ų149112.6 Ų112.670%0.69671%0.71SS**  cis-175.9103.33.7-176.8167.623.700101.9D88Q86-D88 PolarHBondContact O-N 2.71Å
87S45.3Very low50.6Low111 Ų111112.4 Ų112.478%0.77670%0.703SS**  45.146.896.578.40000116.9
88D45.9Very low52.1Low148 Ų148111.7 Ų111.779%0.79169%0.688SS**  trans-121.151.3169.6-75.7-21.9000112.8Q86Q86-D88 PolarHBondContact O-N 2.71Å
89A50.4Low53.8Low91 Ų91113.8 Ų113.875%0.75269%0.689SS**  trans-121.60.7-178.500000116.1
90L53.4Low55.1Low156 Ų156113.8 Ų113.882%0.81768%0.681SS**SBendtrans-115.776.7176.9-55.3-172.3000109.8L92L90-L92 VanDerWaalsContact C-N 3.31Å; L90-L92 PolarHBondContact O-N 3.1Å
91G50.3Low56Low89 Ų89114.8 Ų114.892%0.91867%0.674SS**  trans-56.179.3-174.100000115.5
92L65.6Low56.9Low100 Ų100119.1 Ų119.152%0.52468%0.679SS.*  trans-90.2146.5174.8-68.6175.5000111.4L90L90-L92 VanDerWaalsContact C-N 3.31Å; L90-L92 PolarHBondContact O-N 3.1Å
93P58.8Low57.8Low75 Ų75117.2 Ų117.249%0.48767%0.667SS.*  trans-67.8142.8-175.228-34.9000112.5S95 E96P93-S95 PolarHBondContact O-N 3.18Å; P93-E96 PolarHBondContact O-N 3.46Å
94I67.2Low58.5Low136 Ų136114.7 Ų114.770%0.69766%0.661SS**Hα-helixtrans-53.2-30.9-169.5-64.1168000113.7E96 I97 V98I94-E96 PolarHBondContact O-N 3.27Å; I94-I97 PolarHBondContact O-N 2.86Å; I94-V98 HydrophobicContact CG2-CG2 4.41Å; I94-V98 WeakPolarHBondContact O-CG2 3.31Å; I94-V98 PolarHBondContact O-N 3.29Å; I94-V98 VanDerWaalsContact O-N 3.11Å
95S68.3Low59.3Low92 Ų92114.4 Ų114.464%0.64365%0.654SS**Hα-helixtrans-62.4-38.5178.747.70000113.1P93 F99P93-S95 PolarHBondContact O-N 3.18Å; S95-F99 PolarHBondContact O-N 3.31Å
96E68.5Low59.3Low102 Ų102112.7 Ų112.748%0.47765%0.645SS.*Hα-helixtrans-73-35.5176.5-71.8-172.2-173.200111.5P93 I94 V98 F99 L100P93-E96 PolarHBondContact O-N 3.46Å; I94-E96 PolarHBondContact O-N 3.27Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.33Å; E96-F99 PolarHBondContact O-N 2.93Å; E96-L100 WeakPolarHBondContact O-CB 3.5Å; E96-L100 WeakPolarHBondContact O-CG 3.38Å; E96-L100 PolarHBondContact O-N 3.25Å
97I66Low59.1Low90 Ų90109.5 Ų109.546%0.46264%0.644SS.*Hα-helixtrans-61.6-42.5176.9-61.3176.9000110.7I94 L100 K101I94-I97 PolarHBondContact O-N 2.86Å; I97-L100 PolarHBondContact O-N 3.42Å; I97-K101 WeakPolarHBondContact O-CB 3.45Å; I97-K101 PolarHBondContact O-N 3.41Å
98V72.4Confident58.8Low93 Ų93114.7 Ų114.756%0.56465%0.647SS**Hα-helixtrans-67.8-39.4178.5177.30000111.4I94 E96 K101 K102I94-V98 HydrophobicContact CG2-CG2 4.41Å; I94-V98 WeakPolarHBondContact O-CG2 3.31Å; I94-V98 PolarHBondContact O-N 3.29Å; I94-V98 VanDerWaalsContact O-N 3.11Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.33Å; V98-K101 PolarHBondContact O-N 2.96Å; V98-K102 PolarHBondContact O-N 2.83Å
99F74.3Confident59Low140 Ų140115.3 Ų115.361%0.61465%0.65SS**Hα-helixtrans-64.2-44.7176-173-100.9000111.8S95 E96 K101 K102 I103S95-F99 PolarHBondContact O-N 3.31Å; E96-F99 PolarHBondContact O-N 2.93Å; F99-K101 VanDerWaalsContact C-N 3.34Å; F99-K101 PolarHBondContact O-N 3.03Å; F99-K102 WeakPolarHBondContact O-CB 3.42Å; F99-K102 PolarHBondContact O-N 3.02Å; F99-I103 HydrophobicContact CD1-CD1 4.05Å; F99-I103 HydrophobicContact CE1-CD1 3.76Å; F99-I103 PolarHBondContact O-N 3.35Å
100L66.8Low58.7Low89 Ų89114.5 Ų114.547%0.46665%0.65SS.*Hα-helixtrans-64.8-36.2174.2-71.5168.6000111.9E96 I97 K102 I103 I104E96-L100 WeakPolarHBondContact O-CB 3.5Å; E96-L100 WeakPolarHBondContact O-CG 3.38Å; E96-L100 PolarHBondContact O-N 3.25Å; I97-L100 PolarHBondContact O-N 3.42Å; L100-K102 VanDerWaalsContact C-N 3.3Å; L100-K102 PolarHBondContact O-N 3.04Å; L100-I103 HydrophobicContact CD2-CD1 4.39Å; L100-I103 WeakPolarHBondContact O-CB 3.47Å; L100-I103 PolarHBondContact O-N 3.45Å; L100-I104 VanDerWaalsContact O-CG1 3.32Å; L100-I104 WeakPolarHBondContact O-CG1 3.37Å; L100-I104 PolarHBondContact O-N 3.01Å
101K66.8Low58.2Low141 Ų141112 Ų11261%0.61365%0.646SS**Hα-helixtrans-62.9-36173.8-124.4179.3-177.7-178.70112.3I97 V98 F99 I103 I104 S105I97-K101 WeakPolarHBondContact O-CB 3.45Å; I97-K101 PolarHBondContact O-N 3.41Å; V98-K101 PolarHBondContact O-N 2.96Å; F99-K101 VanDerWaalsContact C-N 3.34Å; F99-K101 PolarHBondContact O-N 3.03Å; K101-I103 VanDerWaalsContact C-N 3.34Å; K101-I104 PolarHBondContact O-N 3.48Å; K101-S105 WeakPolarHBondContact O-CB 3.07Å; K101-S105 PolarHBondContact O-N 2.86Å; K101-S105 PolarHBondContact O-OG 2.92Å
102K60.5Low58Low163 Ų163114.6 Ų114.671%0.70964%0.644SS**Hα-helixtrans-67.1-35.9175.5-171.8168.5-177.8175.30112.1V98 F99 L100 I104 S105 G106V98-K102 PolarHBondContact O-N 2.83Å; F99-K102 WeakPolarHBondContact O-CB 3.42Å; F99-K102 PolarHBondContact O-N 3.02Å; L100-K102 VanDerWaalsContact C-N 3.3Å; L100-K102 PolarHBondContact O-N 3.04Å; K102-I104 VanDerWaalsContact C-N 3.31Å; K102-S105 PolarHBondContact O-N 3.2Å; K102-G106 PolarHBondContact O-N 3.33Å
103I61.3Low57.3Low110 Ų110112.1 Ų112.156%0.56464%0.635SS**Hα-helixtrans-64-38.5171.7-68.5168.3000110.7F99 L100 K101F99-I103 HydrophobicContact CD1-CD1 4.05Å; F99-I103 HydrophobicContact CE1-CD1 3.76Å; F99-I103 PolarHBondContact O-N 3.35Å; L100-I103 HydrophobicContact CD2-CD1 4.39Å; L100-I103 WeakPolarHBondContact O-CB 3.47Å; L100-I103 PolarHBondContact O-N 3.45Å; K101-I103 VanDerWaalsContact C-N 3.34Å
104I62.1Low57.3Low140 Ų140113.2 Ų113.272%0.71864%0.642SS**Hα-helixtrans-74.4-27.3178.3-63.5163.6000112.3L100 K101 K102L100-I104 VanDerWaalsContact O-CG1 3.32Å; L100-I104 WeakPolarHBondContact O-CG1 3.37Å; L100-I104 PolarHBondContact O-N 3.01Å; K101-I104 PolarHBondContact O-N 3.48Å; K102-I104 VanDerWaalsContact C-N 3.31Å
105S54.8Low57Low92 Ų92114.1 Ų114.164%0.64365%0.654SS**Hα-helixtrans-96.8-8.3-171.7-49.20000114.9K101 K102 A107K101-S105 WeakPolarHBondContact O-CB 3.07Å; K101-S105 PolarHBondContact O-N 2.86Å; K101-S105 PolarHBondContact O-OG 2.92Å; K102-S105 PolarHBondContact O-N 3.2Å; S105-A107 PolarHBondContact O-N 2.78Å
106G42.1Very low56.9Low59 Ų59113.2 Ų113.261%0.60866%0.66SS**SBendtrans-8590.3175.600000111.7K102K102-G106 PolarHBondContact O-N 3.33Å
107A39.5Very low56.8Low83 Ų83115.8 Ų115.869%0.68668%0.676SS**  trans-40.1135.2166.300000111.1S105S105-A107 PolarHBondContact O-N 2.78Å
108R40.7Very low57.6Low220 Ų220117.2 Ų117.283%0.8368%0.681SS**  -179.414580.3-79.2162.3-179.4-169.4-5.7109.5
109D48.4Very low57.7Low161 Ų161119.7 Ų119.786%0.86169%0.689SS**  trans59.988.2152.4-49.5-22.9000117.9
110G45.3Very low57.8Low73 Ų73117.2 Ų117.275%0.75369%0.687SS**SBendtrans-175.459.4168.600000113.6
111S42.3Very low58.4Low104 Ų104116.6 Ų116.673%0.72769%0.687SS**  trans48.177.1164-161.50000116.6S113S111-S113 PolarHBondContact O-N 3.27Å
112T46.2Very low59.2Low144 Ų144114.9 Ų114.988%0.88369%0.691SS**  trans-8878.715555.30000108.5
113S50.7Low60.3Low47 Ų47115.1 Ų115.133%0.32969%0.694SS.*  trans-77.2139.2154.860.70000108.2S111 T115 E118S111-S113 PolarHBondContact O-N 3.27Å; S113-T115 PolarHBondContact O-N 3.11Å; S113-T115 VanDerWaalsContact O-N 3.13Å; S113-E118 WeakPolarHBondContact CB-OE2 3.16Å; S113-E118 PolarHBondContact OG-OE2 3Å
114P59.6Low61.3Low98 Ų98113.9 Ų113.964%0.63669%0.692SS**  trans-57.7120.1-177.223.6-33.7000110.1G116 L117P114-G116 PolarHBondContact O-N 2.9Å; P114-L117 PolarHBondContact O-N 3.37Å
115T61.1Low62.2Low155 Ų155111 Ų11195%0.95168%0.68SS**THydrogen-bonded Turntrans-35.798.9175.9-50.10000111.9S113S113-T115 PolarHBondContact O-N 3.11Å; S113-T115 VanDerWaalsContact O-N 3.13Å
116G66Low63.4Low74 Ų74112.2 Ų112.276%0.76369%0.686SS**THydrogen-bonded Turntrans125-6.4167.500000118P114P114-G116 PolarHBondContact O-N 2.9Å
117L66.6Low65.3Low156 Ų156117.5 Ų117.582%0.81770%0.695SS**SBendtrans-103.7-16.5175.9-64-171.5000115.1P114P114-L117 PolarHBondContact O-N 3.37Å
118E81.1Confident67.3Low119 Ų119125.5 Ų125.556%0.55671%0.707SS**SBendtrans-95.3111.1-179.9-166159.4-169.100110.4S113S113-E118 WeakPolarHBondContact CB-OE2 3.16Å; S113-E118 PolarHBondContact OG-OE2 3Å
119I76.3Confident69.1Low145 Ų145124.6 Ų124.674%0.74471%0.709SS**PPolyproline II helixtrans-65124.4173.5-60.2172.4000107T121I119-T121 PolarHBondContact O-N 3.49Å; I119-T121 VanDerWaalsContact O-N 3.09Å
120P74.8Confident70.3Confident89 Ų89122.4 Ų122.458%0.57871%0.707SS**PPolyproline II helixtrans-59.8120.2179.723.9-32.5000109.5T124P120-T124 WeakPolarHBondContact CA-OG1 3.29Å
121T80.3Confident71.7Confident76 Ų76124 Ų12447%0.46671%0.707SS.*PPolyproline II helixtrans-77.2153.6169.257.30000108.6I119 E123 T124I119-T121 PolarHBondContact O-N 3.49Å; I119-T121 VanDerWaalsContact O-N 3.09Å; T121-E123 PolarHBondContact O-N 2.82Å; T121-T124 PolarHBondContact N-OG1 3.03Å; T121-T124 VanDerWaalsContact N-OG1 3.1Å; T121-T124 PolarHBondContact O-N 3.18Å; T121-T124 PolarHBondContact O-OG1 3.14Å
122P83.4Confident73.2Confident105 Ų105126.6 Ų126.668%0.68271%0.71SS**G310 helixtrans-54-30.4-171.218.2-32.3000114.3T124P122-T124 VanDerWaalsContact C-N 3.3Å; P122-T124 PolarHBondContact O-N 2.95Å
123E83.7Confident74Confident167 Ų167125.5 Ų125.578%0.7870%0.703SS**G310 helixtrans-72.6-20.3177.9-51.4-52.2139.600113.7T121T121-E123 PolarHBondContact O-N 2.82Å
124T83.2Confident74.2Confident85 Ų85128.5 Ų128.552%0.52172%0.722SS.*G310 helixtrans-94-3.6-179.262.60000113.3P120 T121 P122 P126P120-T124 WeakPolarHBondContact CA-OG1 3.29Å; T121-T124 PolarHBondContact N-OG1 3.03Å; T121-T124 VanDerWaalsContact N-OG1 3.1Å; T121-T124 PolarHBondContact O-N 3.18Å; T121-T124 PolarHBondContact O-OG1 3.14Å; P122-T124 VanDerWaalsContact C-N 3.3Å; P122-T124 PolarHBondContact O-N 2.95Å; T124-P126 WeakPolarHBondContact O-CD 3.46Å
125V80Confident74Confident78 Ų78131.7 Ų131.747%0.47373%0.733SS.*SBendtrans-73.3123.3178.4-179.60000109.3H127V125-H127 PolarHBondContact O-N 3.23Å; V125-H127 VanDerWaalsContact O-N 3.15Å
126P81.2Confident73.7Confident118 Ų118130.9 Ų130.977%0.76673%0.728SS**PPolyproline II helixtrans-59.1121.6-179.2-25.734.7000112.3T124 R128T124-P126 WeakPolarHBondContact O-CD 3.46Å; P126-R128 PolarHBondContact O-N 3.37Å
127H80.6Confident73.1Confident170 Ų170131.2 Ų131.279%0.78772%0.724SS**PPolyproline II helixtrans-67.1123.6171.1-70.2-79.5000110.2V125 K129V125-H127 PolarHBondContact O-N 3.23Å; V125-H127 VanDerWaalsContact O-N 3.15Å; H127-K129 PolarHBondContact O-N 3.27Å
128R82.1Confident72.4Confident252 Ų252129.9 Ų129.995%0.95173%0.727SS**PPolyproline II helixtrans-59.7122.8172.4-100.7176.8136.2-161.9-3.7109.9P126P126-R128 PolarHBondContact O-N 3.37Å
129K77.7Confident71.1Confident200 Ų200133.2 Ų133.287%0.8774%0.74SS**  trans-88.3105.1166.8-54.5-176.284.8175.10107.5H127 S131H127-K129 PolarHBondContact O-N 3.27Å; K129-S131 PolarHBondContact O-N 3.14Å; K129-S131 VanDerWaalsContact O-N 3.14Å
130S74.5Confident69.9Low116 Ų116134.9 Ų134.981%0.81175%0.75SS**  trans-69.1108.6173.557.20000109.1I132S130-I132 VanDerWaalsContact C-N 3.31Å
131S74Confident68.7Low107 Ų107136.8 Ų136.875%0.74876%0.759SS**  trans-95.331.9174.5-178.10000111.8K129 V133K129-S131 PolarHBondContact O-N 3.14Å; K129-S131 VanDerWaalsContact O-N 3.14Å; S131-V133 PolarHBondContact O-N 3.3Å
132I74.8Confident67.3Low157 Ų157138 Ų13881%0.80578%0.776SS**  trans-68.6101.2178.8-135.6165.4000107.6S130S130-I132 VanDerWaalsContact C-N 3.31Å
133V61.6Low65.4Low121 Ų121140.9 Ų140.973%0.73378%0.781SS**  trans-89.3116.5161.7-164.70000103.7S131S131-V133 PolarHBondContact O-N 3.3Å
134P54.8Low63.7Low110 Ų110142 Ų14271%0.71479%0.786SS**  trans-60.5144.4-176.222.7-31.4000111.4
135D56.2Low62.1Low165 Ų165146.5 Ų146.588%0.88280%0.801SS**  trans-39.7132.3-174-73.9-50.7000115.7
136V55.1Low61.2Low138 Ų138148.1 Ų148.184%0.83681%0.811SS**  trans-137.2116.1142.4-161.80000108.9
137A52.6Low60.5Low82 Ų82148.2 Ų148.268%0.67881%0.809SS**  trans-33.9132.8178.400000116.1
138S53.3Low59.9Low127 Ų127148.5 Ų148.589%0.88881%0.81SS**  trans-138.9110.9154.5-80.20000110.6
139K53.3Low59.5Low189 Ų189145.1 Ų145.182%0.82281%0.805SS**  trans-76.6125.2179.7-60.6156.6177.6-80.10108.6
140L50.6Low59.2Low181 Ų181143 Ų14395%0.94880%0.803SS**  trans-132108152.4-73.6179.5000108.5
141V49Very low58.7Low129 Ų129142.3 Ų142.378%0.78280%0.796SS**  trans-76.9139.2-176.581.40000109.3
142A52.3Low58.1Low100 Ų100143 Ų14383%0.82680%0.797SS**  trans-112.499.3171.900000108.8
143Q42.2Very low57.6Low167 Ų167141.4 Ų141.478%0.7880%0.798SS**  trans-147.9127.1169.6-85-168.3-33.600110.3
144Q48.5Very low57.7Low191 Ų191139.4 Ų139.489%0.89380%0.802SS**  178113.5118.7-92.8176.84.700109.6
145H49.5Very low58.3Low179 Ų179142.6 Ų142.683%0.82981%0.811SS**PPolyproline II helixtrans-103.9116.9171.7-177.2-106.2000107.7
146V60.7Low59Low111 Ų111146.3 Ų146.367%0.67383%0.829SS**PPolyproline II helixtrans-79.6120.8-173.7-176.90000109.6
147V67.7Low59.2Low121 Ų121146.8 Ų146.873%0.73383%0.829SS**PPolyproline II helixtrans-92.4118.2178.1-179.90000109.1
148H67.2Low59.5Low176 Ų176150.2 Ų150.282%0.81584%0.837SS**PPolyproline II helixtrans-73126.1176.7-68.8-88.6000111.2
149H74.6Confident59.9Low180 Ų180151.4 Ų151.483%0.83383%0.834SS**PPolyproline II helixtrans-96.9132.8176.852.866.3000111.7
150N70.8Confident60.3Low157 Ų157149.2 Ų149.284%0.8483%0.834SS**PPolyproline II helixtrans-93.7133.9175.4-151.512.9000109.3
151P63.4Low60.9Low100 Ų100147.3 Ų147.365%0.64983%0.827SS**PPolyproline II helixtrans-79.1155.3-171.531.1-32.6000113.2
152P62.6Low61.7Low121 Ų121148.5 Ų148.579%0.78683%0.83SS**PPolyproline II helixtrans-80150.5-172.932.3-34.1000113.1
153P62.9Low62.3Low125 Ų125151.9 Ų151.981%0.81283%0.831SS**PPolyproline II helixtrans-75141.8178.829.6-32.4000112.3
154G65.4Low63.9Low79 Ų79150.8 Ų150.881%0.81484%0.835SS**PPolyproline II helixtrans-67.9152.8-17300000115.6
155L65.7Low65.2Low176 Ų176147.4 Ų147.492%0.92183%0.83SS**  trans-122.6120.2163.3-78.7168.6000107.7
156I71.7Confident66.6Low244 Ų244144.5 Ų144.5100%1.25183%0.83SS**  trans-116.60156.231169.1000107

Retrieved 156 of 156 residues in 59.5 ms (Link to these results)