A0A060Y243_ONCMY Loading...

Protein phosphatase 1, regulatory (inhibitor) subunit 2

AlphaFold DB , UniProt , Accession A0A060Y243, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 195 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
1M61.9Low81.2Confident247 Ų247157.3 Ų157.3100%1.21788%0.876SS**  0126.30-59.8-166.3-155.200107.8
2A68.9Low81.8Confident106 Ų106157.4 Ų157.488%0.87686%0.861SS**PPolyproline II helixtrans-75.8126.5177.100000109.3
3A76.7Confident82.2Confident92 Ų92153.8 Ų153.876%0.7684%0.84SS**PPolyproline II helixtrans-68.1136.1178.900000110.8R5A3-R5 PolarHBondContact O-N 3.29Å
4S78.1Confident81.3Confident121 Ų121157.8 Ų157.885%0.84685%0.845SS**PPolyproline II helixtrans-65.1118.4175.751.60000110.3
5R81.7Confident79.9Confident234 Ų234155.5 Ų155.588%0.88383%0.833SS**PPolyproline II helixtrans-78.9134175-61.4-176.5-177.2-172.81109.6A3 I7A3-R5 PolarHBondContact O-N 3.29Å; R5-I7 PolarHBondContact O-N 3.34Å
6L80Confident78.5Confident168 Ų168152.4 Ų152.488%0.8883%0.827SS**PPolyproline II helixtrans-64.8122.4171.9-74.9158.8000109.8
7I85.1Confident77.1Confident171 Ų171147.5 Ų147.588%0.87782%0.821SS**PPolyproline II helixtrans-80.4122.1177.1-56.6172.8000108.1R5R5-I7 PolarHBondContact O-N 3.34Å
8K87.3Confident75.5Confident193 Ų193146.3 Ų146.384%0.83982%0.818SS**PPolyproline II helixtrans-90.3134.6173.1-61172.4-177.71790108.7
9G90.1Very high74Confident78 Ų78142.3 Ų142.380%0.80481%0.813SS**PPolyproline II helixtrans-75.5162.7177.500000113.8
10I91.4Very high72.4Confident150 Ų150143.1 Ų143.177%0.76981%0.813SS**  trans-110.7-4-177.662.4168.8000114.9K12I10-K12 PolarHBondContact O-N 3.23Å
11L91.8Very high70.9Confident170 Ų170146.1 Ų146.189%0.8982%0.817SS**  trans-66.2120.6178.3-176.264.9000109.8
12K88.4Confident69.9Low159 Ų159141.1 Ų141.169%0.69180%0.8SS**  trans-122.9121.2178.8-64.4146.9-177.4173.40108I10I10-K12 PolarHBondContact O-N 3.23Å
13N86.8Confident68.1Low111 Ų111139.3 Ų139.359%0.59479%0.792SS**  trans-99.4126.2169.354.9-10.2000109.3N15N13-N15 VanDerWaalsContact C-N 3.29Å; N13-N15 PolarHBondContact O-N 3.11Å
14K70Confident66.6Low209 Ų209140.8 Ų140.891%0.90979%0.794SS**SBendtrans-88.111.8-178.8-72.4175.577.1174.70113.5
15N61.1Low64.4Low123 Ų123140 Ų14066%0.65879%0.789SS**  trans-134.216.3-167.247.927.6000115.9N13 G17N13-N15 VanDerWaalsContact C-N 3.29Å; N13-N15 PolarHBondContact O-N 3.11Å; N15-G17 PolarHBondContact O-N 2.77Å
16S57.2Low62.2Low106 Ų106136.8 Ų136.874%0.74178%0.783SS**THydrogen-bonded Turntrans-79.233.4173.385.90000114
17G55Low60.1Low70 Ų70135.7 Ų135.772%0.72277%0.774SS**THydrogen-bonded Turntrans-129.5-3.6-170.700000116.3N15N15-G17 PolarHBondContact O-N 2.77Å
18T47.9Very low57.9Low125 Ų125133.9 Ų133.977%0.76777%0.77SS**  trans-123.190.8176.828.20000108.9I20T18-I20 PolarHBondContact O-N 2.74Å
19G45.9Very low55.7Low70 Ų70130.5 Ų130.572%0.72277%0.768SS**  trans-53.9120.8170.100000109.8K21G19-K21 PolarHBondContact O-N 2.68Å
20I43Very low53.4Low159 Ų159132.8 Ų132.882%0.81577%0.766SS**  trans-57.1103.9168.8-67.6159.4000107T18 V22T18-I20 PolarHBondContact O-N 2.74Å; I20-V22 HydrophobicContact CG2-CG2 3.94Å
21K40.8Very low50.6Low206 Ų206134.9 Ų134.990%0.89677%0.773SS**  trans-99.1113.5161.3-64.1-170.5-176.7-178.70106.5G19G19-K21 PolarHBondContact O-N 2.68Å
22V40.2Very low47.9Very low142 Ų142132.5 Ų132.586%0.86177%0.766SS**  trans-77.9131.1178.6-165.10000108.5I20I20-V22 HydrophobicContact CG2-CG2 3.94Å
23G31.9Very low45.2Very low69 Ų69130.9 Ų130.971%0.71177%0.774SS**  trans156.4146166.800000113.7
24P44Very low43Very low122 Ų122134.1 Ų134.179%0.79279%0.786SS**  trans-113.7166.6-134.940.7-31.8000116.1
25S32.8Very low41.6Very low106 Ų106133.4 Ų133.474%0.74179%0.785SS**  trans80.6123.5151.3-52.20000120.6
26E35.5Very low40.3Very low165 Ų165132.1 Ų132.177%0.77179%0.792SS**  trans92.2133.6134.1-101.7178.617200122
27E35.3Very low39.1Very low146 Ų146131.7 Ų131.768%0.68280%0.795SS**  trans65.8121.3160.4-26.7-59.7175.800122.4
28V38.7Very low38.4Very low132 Ų132137.4 Ų137.480%0.881%0.808SS**  trans-58.7152.9159.3-89.70000112.6
29P42.3Very low37.7Very low123 Ų123134.2 Ų134.280%0.79980%0.8SS**  -151.6150.383.633.5-10.7000118.7
30V41.1Very low37.5Very low126 Ų126138.1 Ų138.176%0.76480%0.803SS**  trans-14.9132.5150.5-177.70000116.8
31E32.6Very low37.7Very low194 Ų194138.2 Ų138.291%0.90781%0.805SS**  trans-151.9132.4135.4-119.2-176.4-173.800113.1
32T34.9Very low37.9Very low120 Ų120136.1 Ų136.174%0.73680%0.798SS**  trans-63.2140.8-179.234.80000114.4
33S32.7Very low38.7Very low124 Ų124134.6 Ų134.687%0.86779%0.785SS**  trans-151.771143.4-153.60000109.5Q35S33-Q35 PolarHBondContact O-N 2.88Å
34E40.5Very low39.8Very low180 Ų180133.7 Ų133.784%0.84176%0.764SS**  trans-78.4106.7155.3-74.1-172.1141.500106.7
35Q40.3Very low40.4Very low193 Ų193134 Ų13490%0.90277%0.766SS**  trans173.488.5144.1-94.9164.823.100110.6S33S33-Q35 PolarHBondContact O-N 2.88Å
36A32.5Very low41.9Very low97 Ų97137.3 Ų137.380%0.80277%0.77SS**  trans-161.286.4144.900000105.3
37A33.8Very low43.9Very low97 Ų97135.9 Ų135.980%0.80276%0.761SS**  81.3122.5101.100000111G39A37-G39 PolarHBondContact O-N 2.62Å
38L39.5Very low46.3Very low190 Ų190138 Ų138100%0.99577%0.768SS**  trans-53.975.7170.8-63.3165.3000110.9
39G32.9Very low48.7Very low58 Ų58135.1 Ų135.160%0.59875%0.754SS**  trans-93.9118.7160.900000106.5A37 L41A37-G39 PolarHBondContact O-N 2.62Å; G39-L41 PolarHBondContact O-N 2.91Å
40L41.1Very low51.2Low151 Ų151136.8 Ų136.879%0.79175%0.751SS**  trans5.8112.3141.6-174.771.3000111.1E42L40-E42 PolarHBondContact O-N 3.48Å
41L47.8Very low53.8Low161 Ų161139.2 Ų139.284%0.84375%0.751SS**  trans-54.894.4165.2-176.781000104.7G39 D43G39-L41 PolarHBondContact O-N 2.91Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 3.29Å
42E44.6Very low56.8Low162 Ų162138.8 Ų138.876%0.75774%0.741SS**  trans-55.7113.1173.6-75.7-165.8151.400102.7L40 D44L40-E42 PolarHBondContact O-N 3.48Å; E42-D44 PolarHBondContact O-N 2.94Å
43D58.5Low59.7Low110 Ų110138 Ų13859%0.58873%0.732SS**  trans-59.492.7170.9-14912.8000102.9L41 P45L41-D43 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 3.29Å; D43-P45 WeakPolarHBondContact O-CA 3.5Å; D43-P45 WeakPolarHBondContact O-CD 3.19Å
44D54.8Low62.6Low50 Ų50138 Ų13827%0.26772%0.719SS.*  trans-46109.8-179.6-179.1-8.6000104.3E42 Q46 K47E42-D44 PolarHBondContact O-N 2.94Å; D44-Q46 PolarHBondContact O-N 3.38Å; D44-K47 HydrophobicContact CB-CB 4.3Å; D44-K47 HydrophobicContact CB-CD 3.86Å; D44-K47 HydrophobicContact CB-CG 3.95Å; D44-K47 PolarHBondContact O-N 2.93Å; D44-K47 WeakPolarHBondContact OD2-CE 3.5Å; D44-K47 IonicContact OD2-NZ 2.75Å; D44-K47 PolarHBondContact OD2-NZ 3.12Å
45P57.1Low65Low129 Ų129136 Ų13684%0.83871%0.711SS**THydrogen-bonded Turntrans-65.1-4.7-164.621.8-32.3000112D43D43-P45 WeakPolarHBondContact O-CA 3.5Å; D43-P45 WeakPolarHBondContact O-CD 3.19Å
46Q63.5Low67.4Low175 Ų175131 Ų13182%0.81869%0.691SS**THydrogen-bonded Turntrans-90.6-14.2175.2-58.6170.4-11.400113D44D44-Q46 PolarHBondContact O-N 3.38Å
47K76.4Confident70.1Confident136 Ų136129.9 Ų129.959%0.59167%0.67SS**SBendtrans-97.2112174.7-65.1-179.8-172.3126.20109.1D44 S49D44-K47 HydrophobicContact CB-CB 4.3Å; D44-K47 HydrophobicContact CB-CD 3.86Å; D44-K47 HydrophobicContact CB-CG 3.95Å; D44-K47 PolarHBondContact O-N 2.93Å; D44-K47 WeakPolarHBondContact OD2-CE 3.5Å; D44-K47 IonicContact OD2-NZ 2.75Å; D44-K47 PolarHBondContact OD2-NZ 3.12Å; K47-S49 PolarHBondContact O-N 3.1Å
48K86.4Confident72.5Confident191 Ų191130.8 Ų130.883%0.8366%0.661SS**PPolyproline II helixtrans-61.3127.7166.349.9176.5-175.71640109.8
49S88.8Confident74.8Confident70 Ų70125.7 Ų125.749%0.4965%0.646SS.*PPolyproline II helixtrans-81.4155.6168.476.50000111K47K47-S49 PolarHBondContact O-N 3.1Å
50Q94.9Very high77.3Confident158 Ų158128 Ų12874%0.73865%0.649SS**PPolyproline II helixtrans-76.2134.1172.1178.3167.8-19.600109.2
51K95.4Very high79Confident177 Ų177127.4 Ų127.477%0.7764%0.637SS**  trans-133.5146.5177.2-57.7-178.370.81770108.8
52W95.8Very high80.1Confident186 Ų186124.1 Ų124.171%0.70562%0.617SS**  trans-90.4151.9174.6-61.9109.4000110.9E54W52-E54 PolarHBondContact O-N 3.49Å
53D96.6Very high81.2Confident103 Ų103120.5 Ų120.555%0.55161%0.608SS**  trans-91.793.4171.7179.92.7000108.7M55 N56 I57D53-M55 PolarHBondContact O-N 3.02Å; D53-M55 VanDerWaalsContact O-N 3.11Å; D53-M55 WeakPolarHBondContact OD1-CB 3.23Å; D53-M55 PolarHBondContact OD1-N 3.36Å; D53-N56 HydrophobicContact CB-CB 3.91Å; D53-N56 WeakPolarHBondContact O-CA 3.4Å; D53-N56 WeakPolarHBondContact O-CB 3.3Å; D53-N56 PolarHBondContact O-N 3.43Å; D53-N56 PolarHBondContact OD1-N 3.37Å; D53-I57 WeakPolarHBondContact O-CG1 3.36Å; D53-I57 PolarHBondContact O-N 3.18Å
54E92.4Very high81.2Confident124 Ų124122.4 Ų122.458%0.57962%0.623SS**Hα-helixtrans-56.4-30.1-176.5-54.7-56.6159.700112.7W52 I57 L58W52-E54 PolarHBondContact O-N 3.49Å; E54-I57 PolarHBondContact O-N 2.7Å; E54-L58 WeakPolarHBondContact O-CB 3.24Å; E54-L58 VanDerWaalsContact O-CG 3.24Å; E54-L58 WeakPolarHBondContact O-CG 3.45Å; E54-L58 PolarHBondContact O-N 2.9Å
55M92.3Very high81.4Confident138 Ų138127.6 Ų127.668%0.6865%0.651SS**Hα-helixtrans-70.4-35.9176.4-168.964.462.700111.6D53 A59D53-M55 PolarHBondContact O-N 3.02Å; D53-M55 VanDerWaalsContact O-N 3.11Å; D53-M55 WeakPolarHBondContact OD1-CB 3.23Å; D53-M55 PolarHBondContact OD1-N 3.36Å; M55-A59 VanDerWaalsContact O-CB 3.23Å; M55-A59 WeakPolarHBondContact O-CB 3.41Å; M55-A59 PolarHBondContact O-N 3.12Å
56N90.6Very high81.6Confident89 Ų89126.7 Ų126.748%0.47663%0.634SS.*Hα-helixtrans-68.3-42.4173.4179.9-110000111.4D53 A59 T60D53-N56 HydrophobicContact CB-CB 3.91Å; D53-N56 WeakPolarHBondContact O-CA 3.4Å; D53-N56 WeakPolarHBondContact O-CB 3.3Å; D53-N56 PolarHBondContact O-N 3.43Å; D53-N56 PolarHBondContact OD1-N 3.37Å; N56-A59 PolarHBondContact O-N 3.14Å; N56-T60 PolarHBondContact O-N 2.75Å; N56-T60 VanDerWaalsContact O-N 3.1Å; N56-T60 PolarHBondContact O-OG1 3.3Å; N56-T60 VanDerWaalsContact O-OG1 3.12Å
57I88.8Confident81.3Confident72 Ų72123.4 Ų123.437%0.36962%0.622SS.*Hα-helixtrans-58.1-52.6175.7-57.6-53.5000109.7D53 E54 A59 T60 Y61D53-I57 WeakPolarHBondContact O-CG1 3.36Å; D53-I57 PolarHBondContact O-N 3.18Å; E54-I57 PolarHBondContact O-N 2.7Å; I57-A59 VanDerWaalsContact C-N 3.34Å; I57-A59 PolarHBondContact O-N 3.28Å; I57-T60 CarbonylContact O-C 3.45Å; I57-T60 PolarHBondContact O-N 3.41Å; I57-T60 VanDerWaalsContact O-N 3.14Å; I57-T60 PolarHBondContact O-OG1 3.36Å; I57-T60 VanDerWaalsContact O-OG1 3.12Å; I57-Y61 WeakPolarHBondContact O-CB 3.49Å; I57-Y61 PolarHBondContact O-N 2.95Å
58L84.9Confident80.4Confident116 Ų116119.6 Ų119.661%0.60760%0.604SS**Hα-helixtrans-60-39.3177.5-71.7171.3000113.2E54 T60 Y61E54-L58 WeakPolarHBondContact O-CB 3.24Å; E54-L58 VanDerWaalsContact O-CG 3.24Å; E54-L58 WeakPolarHBondContact O-CG 3.45Å; E54-L58 PolarHBondContact O-N 2.9Å; L58-T60 PolarHBondContact O-N 2.94Å; L58-Y61 VanDerWaalsContact O-CB 3.3Å; L58-Y61 WeakPolarHBondContact O-CB 3.14Å; L58-Y61 PolarHBondContact O-N 2.84Å
59A86.5Confident79.3Confident83 Ų83112 Ų11269%0.68658%0.58SS**Hα-helixtrans-65.8-28.8178.500000113M55 N56 I57M55-A59 VanDerWaalsContact O-CB 3.23Å; M55-A59 WeakPolarHBondContact O-CB 3.41Å; M55-A59 PolarHBondContact O-N 3.12Å; N56-A59 PolarHBondContact O-N 3.14Å; I57-A59 VanDerWaalsContact C-N 3.34Å; I57-A59 PolarHBondContact O-N 3.28Å
60T85.8Confident77.8Confident108 Ų108113.7 Ų113.766%0.66358%0.581SS**Hα-helixtrans-98.5-1.8174.660.60000113.6N56 I57 L58N56-T60 PolarHBondContact O-N 2.75Å; N56-T60 VanDerWaalsContact O-N 3.1Å; N56-T60 PolarHBondContact O-OG1 3.3Å; N56-T60 VanDerWaalsContact O-OG1 3.12Å; I57-T60 CarbonylContact O-C 3.45Å; I57-T60 PolarHBondContact O-N 3.41Å; I57-T60 VanDerWaalsContact O-N 3.14Å; I57-T60 PolarHBondContact O-OG1 3.36Å; I57-T60 VanDerWaalsContact O-OG1 3.12Å; L58-T60 PolarHBondContact O-N 2.94Å
61Y77.1Confident76.2Confident138 Ų138114 Ų11454%0.54159%0.585SS.*SBendtrans-70.2162.7174.6-162.6-113.7000110I57 L58I57-Y61 WeakPolarHBondContact O-CB 3.49Å; I57-Y61 PolarHBondContact O-N 2.95Å; L58-Y61 VanDerWaalsContact O-CB 3.3Å; L58-Y61 WeakPolarHBondContact O-CB 3.14Å; L58-Y61 PolarHBondContact O-N 2.84Å
62H71.1Confident74.9Confident91 Ų91114.5 Ų114.542%0.42159%0.587SS.*PPolyproline II helixtrans-50.5151-162.2-55.5106.4000115.4Y68H62-Y68 HydrophobicContact CB-CD2 3.85Å; H62-Y68 HydrophobicContact CB-CE2 3.94Å; H62-Y68 AromaticContact CD2-CD2 3.58Å; H62-Y68 AromaticContact CD2-CE2 3.37Å; H62-Y68 WeakPolarHBondContact CD2-CE2 3.37Å; H62-Y68 AromaticContact CE1-CD2 3.94Å; H62-Y68 AromaticContact CG-CD2 3.42Å; H62-Y68 VanDerWaalsContact CG-CD2 3.42Å; H62-Y68 AromaticContact CG-CE2 3.6Å; H62-Y68 AromaticContact ND1-CD2 3.67Å; H62-Y68 AromaticContact NE2-CD2 3.93Å; H62-Y68 AromaticContact NE2-CE2 3.97Å
63P68.3Low73.3Confident86 Ų86111.5 Ų111.556%0.55858%0.584SS**PPolyproline II helixtrans-56.4147.9176.9-20.130.4000112.1D65 K66P63-D65 PolarHBondContact O-N 2.96Å; P63-K66 PolarHBondContact O-N 3.31Å
64V58.8Low72.1Confident150 Ų150114.5 Ų114.591%0.90960%0.6SS**THydrogen-bonded Turntrans-53.5-25.2-173.9-154.40000114.2
65D57.8Low71.4Confident159 Ų159115.6 Ų115.685%0.8561%0.605SS**THydrogen-bonded Turntrans-92.35.2-178.1-55.7-30000113.5P63P63-D65 PolarHBondContact O-N 2.96Å
66K62.3Low70.5Confident111 Ų111114.5 Ų114.548%0.48361%0.608SS.*  trans-131.688.9179.7-67.2-171.4179.8-172.30110.1P63 Y68P63-K66 PolarHBondContact O-N 3.31Å; K66-Y68 HydrophobicContact CB-CD2 4.21Å; K66-Y68 HydrophobicContact CB-CE2 3.8Å; K66-Y68 HydrophobicContact CD-CE2 4.23Å; K66-Y68 PolarHBondContact O-N 3.45Å
67D56.8Low69.8Low106 Ų106114.6 Ų114.657%0.56762%0.616SS**  trans-84.990.8167.6-167.716.4000108.3G69D67-G69 PolarHBondContact O-N 2.97Å
68Y57.7Low69Low55 Ų55115.3 Ų115.322%0.21662%0.624CS.*SBendtrans-63104.8173.1-72.4-87.1000108.1H62 K66 L131 D135H62-Y68 HydrophobicContact CB-CD2 3.85Å; H62-Y68 HydrophobicContact CB-CE2 3.94Å; H62-Y68 AromaticContact CD2-CD2 3.58Å; H62-Y68 AromaticContact CD2-CE2 3.37Å; H62-Y68 WeakPolarHBondContact CD2-CE2 3.37Å; H62-Y68 AromaticContact CE1-CD2 3.94Å; H62-Y68 AromaticContact CG-CD2 3.42Å; H62-Y68 VanDerWaalsContact CG-CD2 3.42Å; H62-Y68 AromaticContact CG-CE2 3.6Å; H62-Y68 AromaticContact ND1-CD2 3.67Å; H62-Y68 AromaticContact NE2-CD2 3.93Å; H62-Y68 AromaticContact NE2-CE2 3.97Å; K66-Y68 HydrophobicContact CB-CD2 4.21Å; K66-Y68 HydrophobicContact CB-CE2 3.8Å; K66-Y68 HydrophobicContact CD-CE2 4.23Å; K66-Y68 PolarHBondContact O-N 3.45Å; Y68-L131 HydrophobicContact CD1-CD2 3.66Å; Y68-L131 HydrophobicContact CD1-CG 4.46Å; Y68-L131 HydrophobicContact CE1-CD2 3.87Å; Y68-D135 HydrophobicContact CE1-CB 4.2Å; Y68-D135 WeakPolarHBondContact CE1-OD2 3.01Å
69G63.7Low68.9Low31 Ų31115.9 Ų115.932%0.3263%0.634SS.*SBendtrans108-6.4159.700000118.9D67 E130D67-G69 PolarHBondContact O-N 2.97Å; G69-E130 WeakPolarHBondContact CA-O 3.46Å; G69-E130 PolarHBondContact N-O 3.03Å
70M55.5Low67.8Low106 Ų106122.2 Ų122.252%0.52264%0.642SS.*  trans-122.54.6-170.4-62.3-64138.700116.3K72 E130M70-K72 PolarHBondContact O-N 3.47Å; M70-E130 HydrophobicContact CE-CG 4.4Å
71M62.7Low66.8Low165 Ų165121.9 Ų121.981%0.81364%0.636SS**  trans-66.2105.9175-91.8-173.68800111.4I73M71-I73 PolarHBondContact O-N 2.99Å
72K67.2Low65.9Low188 Ų188125.7 Ų125.782%0.81765%0.649SS**  trans-67.1119.4159.3-60.9-60.3-177.5-170.60107.4M70 D74M70-K72 PolarHBondContact O-N 3.47Å; K72-D74 PolarHBondContact O-N 3.22Å
73I63.6Low65.1Low122 Ų122128.6 Ų128.663%0.62667%0.665SS**  trans-73.6121.1177.3-53.2165.6000106.7M71 E75M71-I73 PolarHBondContact O-N 2.99Å; I73-E75 HydrophobicContact CG2-CB 3.6Å; I73-E75 VanDerWaalsContact CG2-CD 3.45Å; I73-E75 HydrophobicContact CG2-CG 3.41Å; I73-E75 VanDerWaalsContact CG2-CG 3.41Å; I73-E75 PolarHBondContact O-N 3.07Å
74D69.4Low64.4Low167 Ų167130.4 Ų130.489%0.89367%0.674SS**  trans-72.223173.3-80.6-26.6000112.6K72K72-D74 PolarHBondContact O-N 3.22Å
75E79.2Confident64.2Low146 Ų146131.9 Ų131.968%0.68267%0.671SS**SBendtrans-75.6129.6173.3-78.6173.8-157.700108.2I73 S77I73-E75 HydrophobicContact CG2-CB 3.6Å; I73-E75 VanDerWaalsContact CG2-CD 3.45Å; I73-E75 HydrophobicContact CG2-CG 3.41Å; I73-E75 VanDerWaalsContact CG2-CG 3.41Å; I73-E75 PolarHBondContact O-N 3.07Å; E75-S77 PolarHBondContact O-N 3.45Å
76P73.8Confident63.9Low115 Ų115131.8 Ų131.875%0.74767%0.671SS**  trans-57.3131.6174.824.5-32.5000108.6T78P76-T78 PolarHBondContact O-N 3.04Å
77S75Confident63.5Low91 Ų91135.5 Ų135.564%0.63669%0.69SS**  trans-44.9121.6178-176.70000109.4E75E75-S77 PolarHBondContact O-N 3.45Å
78T71.7Confident62.7Low88 Ų88133.6 Ų133.654%0.5470%0.695SS.*  trans-59.5136.6178.859.90000107.6P76 Y80 N81P76-T78 PolarHBondContact O-N 3.04Å; T78-Y80 PolarHBondContact O-N 2.7Å; T78-N81 PolarHBondContact O-N 3.32Å
79P82.1Confident62.3Low127 Ų127135.9 Ų135.983%0.82573%0.725SS**THydrogen-bonded Turntrans-56.8-1.8-171.7-29.635.5000117.1
80Y64.4Low61.1Low216 Ų216143.6 Ų143.685%0.84775%0.753SS**THydrogen-bonded Turntrans-106.40.3-179.4-62-74.9000114.4T78 R82T78-Y80 PolarHBondContact O-N 2.7Å; Y80-R82 PolarHBondContact O-N 3.19Å
81N64.2Low60.6Low101 Ų101144.5 Ų144.554%0.5477%0.769SS.*  trans-82.287.4-179.9-151.2-17.4000111.3T78T78-N81 PolarHBondContact O-N 3.32Å
82R58.7Low59.4Low218 Ų218144.7 Ų144.782%0.82377%0.774SS**  trans-91.3101.3168.3179.6-169.5-76.4-162.8-3.2107.6Y80 V84Y80-R82 PolarHBondContact O-N 3.19Å; R82-V84 PolarHBondContact O-N 2.97Å
83M54.9Low58.2Low152 Ų152141.2 Ų141.275%0.74977%0.773SS**  trans-62.2125.6170.5-62-159-179.900109.6
84V53.3Low57.3Low124 Ų124144.7 Ų144.775%0.75279%0.787SS**  trans-110.1103.2163.6-177.10000104.9R82R82-V84 PolarHBondContact O-N 2.97Å
85E54.3Low56.5Low182 Ų182140.5 Ų140.585%0.8578%0.784SS**  trans-72.8123.1170.6-69.9169.9164.100108.1
86D50.5Low55.5Low157 Ų157140 Ų14084%0.8479%0.785SS**  trans-141.3127.4161.2-161.821000110.9
87E55.6Low54.8Low188 Ų188140.8 Ų140.888%0.87979%0.788SS**  trans-80.7145.5178.9-67.8-157.3156.300111.2
88G40.2Very low54.2Low66 Ų66138.6 Ų138.668%0.6877%0.772SS**  trans-154.199.5175.400000113.5
89A48.1Very low54.5Low103 Ų103139 Ų13985%0.85177%0.77SS**  trans-62.9134.4-179.100000114.4
90H39.3Very low54.3Low193 Ų193138.1 Ų138.189%0.89476%0.762SS**  trans-115109.7163.5-65.8-69.4000109.4
91S44.4Very low55.2Low125 Ų125133.3 Ų133.387%0.87475%0.751SS**  trans-134.3101.3162.7-170.90000107.6
92D38.1Very low56Low169 Ų169131.6 Ų131.690%0.90474%0.742SS**PPolyproline II helixtrans-78.3144.8-178.7-123.5-18.3000111.5
93S40.4Very low57.1Low116 Ų116125.2 Ų125.281%0.81172%0.724SS**PPolyproline II helixtrans-82.2129.4-170.7-1790000112.5
94E45.1Very low58.5Low194 Ų194120.5 Ų120.591%0.90771%0.709SS**PPolyproline II helixtrans-75.2147.5168.9-81.7-158.8106.800113.2
95G53.6Low60.1Low80 Ų80119.1 Ų119.183%0.82570%0.701SS**  trans101.778.3141.100000118.7
96N58.3Low61.4Low134 Ų134116.3 Ų116.372%0.71769%0.686SS**  trans-141.1118.3157.9-168.921.3000111.9
97V59.6Low63Low132 Ų132115 Ų11580%0.868%0.679SS**PPolyproline II helixtrans-77.9118.3172.6-177.60000107.8N99V97-N99 PolarHBondContact O-N 2.84Å
98P61.3Low64.5Low46 Ų46109 Ų10930%0.29966%0.662SS.*PPolyproline II helixtrans-72.9131.2-172.226.7-31.8000112.2D102 L103P98-D102 HydrophobicContact CB-CB 3.75Å; P98-L103 HydrophobicContact CB-CD2 4.24Å; P98-L103 HydrophobicContact CB-CG 4.32Å; P98-L103 HydrophobicContact CG-CD2 3.97Å; P98-L103 HydrophobicContact CG-CG 4.42Å
99N78.9Confident66.6Low95 Ų95108.3 Ų108.351%0.50865%0.649SS.*PPolyproline II helixtrans-64.3162.5167.6-170.9-58.2000110.7V97 D101 D102 L103V97-N99 PolarHBondContact O-N 2.84Å; N99-D101 PolarHBondContact O-N 3.3Å; N99-D101 PolarHBondContact OD1-N 3.21Å; N99-D102 HydrophobicContact CB-CB 4.41Å; N99-D102 VanDerWaalsContact CB-OD2 3.29Å; N99-D102 WeakPolarHBondContact CB-OD2 3.46Å; N99-D102 PolarHBondContact N-OD2 3.25Å; N99-D102 CarbonylContact O-C 3.56Å; N99-D102 WeakPolarHBondContact O-CA 3.2Å; N99-D102 VanDerWaalsContact O-CB 3.29Å; N99-D102 WeakPolarHBondContact O-CB 3.2Å; N99-D102 PolarHBondContact O-N 3.33Å; N99-L103 PolarHBondContact O-N 3.2Å
100V77.9Confident68Low109 Ų109105.9 Ų105.966%0.66163%0.629SS**Hα-helixtrans-55.3-38.6174.8177.20000111.9D102 L103 A104V100-D102 VanDerWaalsContact C-N 3.34Å; V100-L103 WeakPolarHBondContact O-CB 3.36Å; V100-L103 PolarHBondContact O-N 3.47Å; V100-A104 PolarHBondContact O-N 3.08Å
101D81.6Confident69.9Low116 Ų116104.6 Ų104.662%0.6262%0.623SS**Hα-helixtrans-69.4-32.4174.6-72.5-30.7000112.1N99 L103 A104 T105N99-D101 PolarHBondContact O-N 3.3Å; N99-D101 PolarHBondContact OD1-N 3.21Å; D101-L103 VanDerWaalsContact C-N 3.33Å; D101-A104 PolarHBondContact O-N 2.7Å; D101-T105 WeakPolarHBondContact O-CB 3.45Å; D101-T105 PolarHBondContact O-N 2.85Å; D101-T105 PolarHBondContact O-OG1 3.29Å
102D82.9Confident71.3Confident64 Ų64102.8 Ų102.834%0.34263%0.625SS.*Hα-helixtrans-68.4-35.2173.1-58.4-33.8000111P98 N99 V100 K106P98-D102 HydrophobicContact CB-CB 3.75Å; N99-D102 HydrophobicContact CB-CB 4.41Å; N99-D102 VanDerWaalsContact CB-OD2 3.29Å; N99-D102 WeakPolarHBondContact CB-OD2 3.46Å; N99-D102 PolarHBondContact N-OD2 3.25Å; N99-D102 CarbonylContact O-C 3.56Å; N99-D102 WeakPolarHBondContact O-CA 3.2Å; N99-D102 VanDerWaalsContact O-CB 3.29Å; N99-D102 WeakPolarHBondContact O-CB 3.2Å; N99-D102 PolarHBondContact O-N 3.33Å; V100-D102 VanDerWaalsContact C-N 3.34Å; D102-K106 WeakPolarHBondContact O-CB 3.44Å; D102-K106 WeakPolarHBondContact O-CG 3.49Å; D102-K106 PolarHBondContact O-N 2.98Å
103L80.4Confident73.2Confident84 Ų84101.3 Ų101.344%0.4461%0.61SS.*Hα-helixtrans-67.7-46.1174.8-70.5172.3000111.3P98 N99 V100 D101 T105 K106 L107P98-L103 HydrophobicContact CB-CD2 4.24Å; P98-L103 HydrophobicContact CB-CG 4.32Å; P98-L103 HydrophobicContact CG-CD2 3.97Å; P98-L103 HydrophobicContact CG-CG 4.42Å; N99-L103 PolarHBondContact O-N 3.2Å; V100-L103 WeakPolarHBondContact O-CB 3.36Å; V100-L103 PolarHBondContact O-N 3.47Å; D101-L103 VanDerWaalsContact C-N 3.33Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 3.06Å; L103-K106 PolarHBondContact O-N 3.25Å; L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 VanDerWaalsContact O-CG 3.32Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 3.49Å
104A85.1Confident75Confident54 Ų54102 Ų10245%0.44660%0.601SS.*Hα-helixtrans-59.8-42.4175.600000111.4V100 D101 L107 A108V100-A104 PolarHBondContact O-N 3.08Å; D101-A104 PolarHBondContact O-N 2.7Å; A104-L107 PolarHBondContact O-N 3.06Å; A104-A108 WeakPolarHBondContact O-CB 3.34Å; A104-A108 PolarHBondContact O-N 3.01Å
105T85.5Confident76.4Confident95 Ų9595.6 Ų95.658%0.58358%0.576SS**Hα-helixtrans-65.5-42.2176.5-55.10000111.7D101 L103 A109D101-T105 WeakPolarHBondContact O-CB 3.45Å; D101-T105 PolarHBondContact O-N 2.85Å; D101-T105 PolarHBondContact O-OG1 3.29Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 3.06Å; T105-A109 WeakPolarHBondContact O-CB 3.04Å; T105-A109 PolarHBondContact O-N 3.12Å
106K83.4Confident76.9Confident123 Ų123100 Ų10054%0.53557%0.567SS.*Hα-helixtrans-65.1-39.2176-77.3173.8-176.4-174.90112.5D102 L103 A109 A110D102-K106 WeakPolarHBondContact O-CB 3.44Å; D102-K106 WeakPolarHBondContact O-CG 3.49Å; D102-K106 PolarHBondContact O-N 2.98Å; L103-K106 PolarHBondContact O-N 3.25Å; K106-A109 PolarHBondContact O-N 3.33Å; K106-A110 VanDerWaalsContact O-CB 3.29Å; K106-A110 WeakPolarHBondContact O-CB 3.04Å; K106-A110 PolarHBondContact O-N 2.89Å
107L84.1Confident77.1Confident129 Ų129101.3 Ų101.368%0.67557%0.567SS**Hα-helixtrans-66.4-46.8176.6-73170.4000111.4L103 A104 A109 A110 E111L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 VanDerWaalsContact O-CG 3.32Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 3.49Å; A104-L107 PolarHBondContact O-N 3.06Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.35Å; L107-A110 CarbonylContact O-C 3.59Å; L107-A110 PolarHBondContact O-N 2.95Å; L107-A110 VanDerWaalsContact O-N 3.13Å; L107-E111 PolarHBondContact O-N 3.15Å
108A87.1Confident77.2Confident63 Ų63100.2 Ų100.252%0.52156%0.555SS.*Hα-helixtrans-62.8-35.7174.400000112.2A104 A110 E111A104-A108 WeakPolarHBondContact O-CB 3.34Å; A104-A108 PolarHBondContact O-N 3.01Å; A108-A110 VanDerWaalsContact C-N 3.3Å; A108-A110 PolarHBondContact O-N 2.77Å; A108-E111 WeakPolarHBondContact O-CB 3.07Å; A108-E111 PolarHBondContact O-N 2.95Å
109A82.8Confident77.1Confident50 Ų50105 Ų10541%0.41357%0.566SS.*Hα-helixtrans-75.3-18.1176.200000113.9T105 K106 L107 K113T105-A109 WeakPolarHBondContact O-CB 3.04Å; T105-A109 PolarHBondContact O-N 3.12Å; K106-A109 PolarHBondContact O-N 3.33Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.35Å; A109-K113 VanDerWaalsContact O-CD 3.24Å; A109-K113 WeakPolarHBondContact O-CD 3.23Å; A109-K113 WeakPolarHBondContact O-CE 3.35Å; A109-K113 PolarHBondContact O-NZ 2.96Å
110A78.9Confident76.2Confident53 Ų53108.9 Ų108.944%0.43858%0.582SS.*Hα-helixtrans-92.4-18173.500000112.1K106 L107 A108 G112 K113K106-A110 VanDerWaalsContact O-CB 3.29Å; K106-A110 WeakPolarHBondContact O-CB 3.04Å; K106-A110 PolarHBondContact O-N 2.89Å; L107-A110 CarbonylContact O-C 3.59Å; L107-A110 PolarHBondContact O-N 2.95Å; L107-A110 VanDerWaalsContact O-N 3.13Å; A108-A110 VanDerWaalsContact C-N 3.3Å; A108-A110 PolarHBondContact O-N 2.77Å; A110-G112 PolarHBondContact O-N 3.22Å; A110-K113 PolarHBondContact O-N 2.79Å
111E78.9Confident74.9Confident166 Ų166107.1 Ų107.178%0.77657%0.566SS**THydrogen-bonded Turntrans-61.1116.8172.9-167171.4-164.500109.8L107 A108L107-E111 PolarHBondContact O-N 3.15Å; A108-E111 WeakPolarHBondContact O-CB 3.07Å; A108-E111 PolarHBondContact O-N 2.95Å
112G74.2Confident73.2Confident87 Ų87108.8 Ų108.890%0.89757%0.57SS**THydrogen-bonded Turntrans89-1.1-175.200000115.6A110A110-G112 PolarHBondContact O-N 3.22Å
113K76.7Confident71.4Confident137 Ų137110.5 Ų110.560%0.59659%0.587SS**SBendtrans-96.1130.1168.5-67.9178.8-176.5156.10109.7A109 A110A109-K113 VanDerWaalsContact O-CD 3.24Å; A109-K113 WeakPolarHBondContact O-CD 3.23Å; A109-K113 WeakPolarHBondContact O-CE 3.35Å; A109-K113 PolarHBondContact O-NZ 2.96Å; A110-K113 PolarHBondContact O-N 2.79Å
114E78.7Confident69.9Low132 Ų132108.9 Ų108.962%0.61758%0.583SS**PPolyproline II helixtrans-63.3139.2174.5-75-173.6161.700110.8M118E114-M118 HydrophobicContact CB-CB 4.23Å
115P73.9Confident67.9Low59 Ų59110.7 Ų110.738%0.38358%0.582SS.*PPolyproline II helixtrans-60.6149.2179.525.3-33000110.2F117 M118 R119P115-F117 HydrophobicContact CB-CD1 3.72Å; P115-F117 HydrophobicContact CB-CE1 3.55Å; P115-F117 HydrophobicContact CG-CD1 3.89Å; P115-F117 HydrophobicContact CG-CE1 3.32Å; P115-F117 HydrophobicContact CG-CZ 3.91Å; P115-F117 PolarHBondContact O-N 3.5Å; P115-M118 HydrophobicContact CG-CB 4.14Å; P115-M118 HydrophobicContact CG-CG 3.81Å; P115-M118 HydrophobicContact CG-SD 3.63Å; P115-M118 WeakPolarHBondContact O-CA 3.44Å; P115-M118 WeakPolarHBondContact O-CB 3.4Å; P115-M118 PolarHBondContact O-N 2.8Å; P115-R119 PolarHBondContact O-N 3.41Å
116R64.9Low65.9Low171 Ų171114.9 Ų114.965%0.64560%0.595SS**THydrogen-bonded Turntrans-51.9-35-170.6-152.6-163.6156.3158.50.2113.7M118 R119 E121R116-M118 VanDerWaalsContact C-N 3.32Å; R116-M118 PolarHBondContact O-N 2.85Å; R116-R119 VanDerWaalsContact O-CB 3.28Å; R116-R119 WeakPolarHBondContact O-CB 3.26Å; R116-R119 PolarHBondContact O-N 3.05Å; R116-E121 VanDerWaalsContact CD-OE1 3.25Å; R116-E121 WeakPolarHBondContact CD-OE1 3.37Å; R116-E121 WeakPolarHBondContact CG-OE1 3.36Å; R116-E121 IonicContact CZ-OE1 3.78Å; R116-E121 IonicContact CZ-OE2 3.37Å; R116-E121 IonicContact NE-OE1 2.84Å; R116-E121 PolarHBondContact NE-OE1 2.84Å; R116-E121 IonicContact NE-OE2 3.05Å; R116-E121 PolarHBondContact NE-OE2 3.45Å; R116-E121 IonicContact NH2-OE1 3.99Å; R116-E121 IonicContact NH2-OE2 2.85Å; R116-E121 PolarHBondContact NH2-OE2 3.26Å
117F61.8Low64.1Low163 Ų163116.2 Ų116.272%0.71560%0.603SS**THydrogen-bonded Turntrans-72.2-19177.480.4-90.2000115.1P115P115-F117 HydrophobicContact CB-CD1 3.72Å; P115-F117 HydrophobicContact CB-CE1 3.55Å; P115-F117 HydrophobicContact CG-CD1 3.89Å; P115-F117 HydrophobicContact CG-CE1 3.32Å; P115-F117 HydrophobicContact CG-CZ 3.91Å; P115-F117 PolarHBondContact O-N 3.5Å
118M61.8Low62.3Low109 Ų109111.5 Ų111.554%0.53758%0.578SS.*THydrogen-bonded Turntrans-90.4-19.9173.5-69.2-175.5132.200111.8E114 P115 R116 E120E114-M118 HydrophobicContact CB-CB 4.23Å; P115-M118 HydrophobicContact CG-CB 4.14Å; P115-M118 HydrophobicContact CG-CG 3.81Å; P115-M118 HydrophobicContact CG-SD 3.63Å; P115-M118 WeakPolarHBondContact O-CA 3.44Å; P115-M118 WeakPolarHBondContact O-CB 3.4Å; P115-M118 PolarHBondContact O-N 2.8Å; R116-M118 VanDerWaalsContact C-N 3.32Å; R116-M118 PolarHBondContact O-N 2.85Å; M118-E120 PolarHBondContact O-N 3.4Å
119R60.5Low60.4Low145 Ų145115 Ų11555%0.54759%0.588SS.*SBendtrans-65.6125.6165.9-161.6178.3-63.5169.51.9106.9P115 R116 E121P115-R119 PolarHBondContact O-N 3.41Å; R116-R119 VanDerWaalsContact O-CB 3.28Å; R116-R119 WeakPolarHBondContact O-CB 3.26Å; R116-R119 PolarHBondContact O-N 3.05Å; R119-E121 PolarHBondContact O-N 3.48Å
120E58.6Low59.1Low177 Ų177118.3 Ų118.383%0.82760%0.595SS**  trans-61.587.8163.6-70.4179.5163.800106M118 E122M118-E120 PolarHBondContact O-N 3.4Å; E120-E122 PolarHBondContact O-N 3.32Å
121E50.4Low58.1Low72 Ų72117.9 Ų117.934%0.33659%0.585SS.*  trans-64.2123.4-176.9-71.2-162.6-148.800109R116 R119 S123R116-E121 VanDerWaalsContact CD-OE1 3.25Å; R116-E121 WeakPolarHBondContact CD-OE1 3.37Å; R116-E121 WeakPolarHBondContact CG-OE1 3.36Å; R116-E121 IonicContact CZ-OE1 3.78Å; R116-E121 IonicContact CZ-OE2 3.37Å; R116-E121 IonicContact NE-OE1 2.84Å; R116-E121 PolarHBondContact NE-OE1 2.84Å; R116-E121 IonicContact NE-OE2 3.05Å; R116-E121 PolarHBondContact NE-OE2 3.45Å; R116-E121 IonicContact NH2-OE1 3.99Å; R116-E121 IonicContact NH2-OE2 2.85Å; R116-E121 PolarHBondContact NH2-OE2 3.26Å; R119-E121 PolarHBondContact O-N 3.48Å; E121-S123 PolarHBondContact O-N 2.89Å
122E46.1Very low57.9Low152 Ų152112.9 Ų112.971%0.7157%0.566SS**G310 helixtrans-47.98.9156.6-62.9-178.2162.100113.7E120 S124 E125E120-E122 PolarHBondContact O-N 3.32Å; E122-S124 PolarHBondContact O-N 3.32Å; E122-E125 HydrophobicContact CB-CB 4.38Å; E122-E125 WeakPolarHBondContact CB-OE2 3.37Å; E122-E125 WeakPolarHBondContact CG-OE2 3.25Å; E122-E125 WeakPolarHBondContact O-CB 3.32Å; E122-E125 PolarHBondContact O-N 3.49Å
123S46.3Very low58.1Low100 Ų100113.8 Ų113.870%0.69956%0.556SS**G310 helixtrans-69.6-10.5176.6-175.80000113.3E121E121-S123 PolarHBondContact O-N 2.89Å
124S47.3Very low58.1Low50 Ų50113.2 Ų113.235%0.3556%0.555SS.*G310 helixtrans-92.5-2.9168.3-179.10000112.7E122 E128E122-S124 PolarHBondContact O-N 3.32Å; S124-E128 PolarHBondContact O-N 2.87Å
125E44.3Very low58Low92 Ų92108.2 Ų108.243%0.4353%0.533SS..THydrogen-bonded Turntrans-77.1-31.6-168.8-150.6150.8-167.400111.7E122 E127 E128 D129E122-E125 HydrophobicContact CB-CB 4.38Å; E122-E125 WeakPolarHBondContact CB-OE2 3.37Å; E122-E125 WeakPolarHBondContact CG-OE2 3.25Å; E122-E125 WeakPolarHBondContact O-CB 3.32Å; E122-E125 PolarHBondContact O-N 3.49Å; E125-E127 VanDerWaalsContact C-N 3.27Å; E125-E127 PolarHBondContact O-N 3.4Å; E125-E128 PolarHBondContact O-N 3.36Å; E125-D129 PolarHBondContact O-N 3.28Å
126E42.7Very low58.3Low182 Ų182107.6 Ų107.685%0.8553%0.525SS*.THydrogen-bonded Turntrans-65.7-23176.1-70.5-176.8174.400114.1
127E46.2Very low59.3Low152 Ų152102.3 Ų102.371%0.7152%0.517SS*.THydrogen-bonded Turntrans-98.6-4.7170.3-79.3-164.2-176.700113.1E125E125-E127 VanDerWaalsContact C-N 3.27Å; E125-E127 PolarHBondContact O-N 3.4Å
128E45.7Very low60.4Low30 Ų3099 Ų9914%0.1450%0.503CS..THydrogen-bonded Turntrans-78.7-29.1173.2-82.6-162.917500111.9S124 E125 E130 L131 Q136 K140S124-E128 PolarHBondContact O-N 2.87Å; E125-E128 PolarHBondContact O-N 3.36Å; E128-E130 VanDerWaalsContact C-N 3.26Å; E128-E130 PolarHBondContact O-N 2.91Å; E128-L131 PolarHBondContact O-N 3.22Å; E128-Q136 PolarHBondContact O-NE2 2.89Å; E128-K140 VanDerWaalsContact OE1-CE 3.29Å; E128-K140 WeakPolarHBondContact OE1-CE 3.17Å; E128-K140 IonicContact OE1-NZ 3.78Å; E128-K140 WeakPolarHBondContact OE2-CE 3.28Å; E128-K140 IonicContact OE2-NZ 2.95Å; E128-K140 PolarHBondContact OE2-NZ 2.91Å
129D48.2Very low61.5Low136 Ų13696.6 Ų96.673%0.72749%0.489SS*.THydrogen-bonded Turntrans-65.7-19.7-173.1-77.7-29.1000115.2E125E125-D129 PolarHBondContact O-N 3.28Å
130E54.9Low62.9Low120 Ų12094.1 Ų94.156%0.56148%0.483SS*.THydrogen-bonded Turntrans-99.5-4.2178.9-64.2-173.3172.600114G69 M70 E128G69-E130 WeakPolarHBondContact CA-O 3.46Å; G69-E130 PolarHBondContact N-O 3.03Å; M70-E130 HydrophobicContact CE-CG 4.4Å; E128-E130 VanDerWaalsContact C-N 3.26Å; E128-E130 PolarHBondContact O-N 2.91Å
131L58.7Low64.6Low43 Ų4391.9 Ų91.923%0.22547%0.472CS..SBendtrans-89.3143.8-178.8-95.4142.3000112.3Y68 E128 D135 Q136Y68-L131 HydrophobicContact CD1-CD2 3.66Å; Y68-L131 HydrophobicContact CD1-CG 4.46Å; Y68-L131 HydrophobicContact CE1-CD2 3.87Å; E128-L131 PolarHBondContact O-N 3.22Å; L131-D135 HydrophobicContact CD2-CB 3.38Å; L131-Q136 HydrophobicContact CB-CG 3.74Å; L131-Q136 PolarHBondContact O-NE2 2.84Å
132T74.9Confident66.6Low61 Ų6194.6 Ų94.637%0.37448%0.483SS..  trans-59.4146.9170.472.80000109.9E134 D135 Q136T132-E134 PolarHBondContact O-N 3.42Å; T132-E134 VanDerWaalsContact O-N 3.12Å; T132-D135 PolarHBondContact O-N 3.25Å; T132-D135 WeakPolarHBondContact OG1-CB 3.2Å; T132-D135 VanDerWaalsContact OG1-CG 3.25Å; T132-D135 PolarHBondContact OG1-N 3.01Å; T132-D135 PolarHBondContact OG1-OD2 2.75Å; T132-Q136 WeakPolarHBondContact O-CG 3.29Å; T132-Q136 PolarHBondContact O-N 3.27Å
133P77.5Confident68.9Low106 Ų10690.9 Ų90.969%0.68847%0.465SS*.Hα-helixtrans-59.5-28.4-179.723-34.2000112.5A137P133-A137 PolarHBondContact O-N 2.96Å; P133-A137 VanDerWaalsContact O-N 3.15Å
134E76.5Confident71.3Confident126 Ų12691.4 Ų91.459%0.58946%0.459SS*.Hα-helixtrans-68-42.9175.1-166-169.6144.300111.8T132 A137 K138T132-E134 PolarHBondContact O-N 3.42Å; T132-E134 VanDerWaalsContact O-N 3.12Å; E134-A137 PolarHBondContact O-N 3.3Å; E134-K138 WeakPolarHBondContact O-CG 3.33Å; E134-K138 PolarHBondContact O-N 2.93Å; E134-K138 WeakPolarHBondContact OE1-CE 3.19Å; E134-K138 IonicContact OE1-NZ 2.7Å; E134-K138 PolarHBondContact OE1-NZ 3.12Å
135D77.1Confident73.6Confident26 Ų2694.7 Ų94.714%0.13947%0.471CS..Hα-helixtrans-76.8-30.6-179.3-65.1-39.8000112.3Y68 L131 T132 A137 K138 K139Y68-D135 HydrophobicContact CE1-CB 4.2Å; Y68-D135 WeakPolarHBondContact CE1-OD2 3.01Å; L131-D135 HydrophobicContact CD2-CB 3.38Å; T132-D135 PolarHBondContact O-N 3.25Å; T132-D135 WeakPolarHBondContact OG1-CB 3.2Å; T132-D135 VanDerWaalsContact OG1-CG 3.25Å; T132-D135 PolarHBondContact OG1-N 3.01Å; T132-D135 PolarHBondContact OG1-OD2 2.75Å; D135-A137 VanDerWaalsContact C-N 3.34Å; D135-K138 PolarHBondContact O-N 3.26Å; D135-K138 IonicContact OD1-NZ 3.08Å; D135-K138 PolarHBondContact OD1-NZ 3.48Å; D135-K138 VanDerWaalsContact OD1-NZ 3.08Å; D135-K139 WeakPolarHBondContact O-CB 3.33Å; D135-K139 PolarHBondContact O-N 2.93Å
136Q79.2Confident76.1Confident47 Ų4796.3 Ų96.322%0.2247%0.473CS..Hα-helixtrans-59-44.9166.9-68.7-179.53.800111.3E128 L131 T132 K138 K139 K140E128-Q136 PolarHBondContact O-NE2 2.89Å; L131-Q136 HydrophobicContact CB-CG 3.74Å; L131-Q136 PolarHBondContact O-NE2 2.84Å; T132-Q136 WeakPolarHBondContact O-CG 3.29Å; T132-Q136 PolarHBondContact O-N 3.27Å; Q136-K138 PolarHBondContact O-N 2.87Å; Q136-K139 PolarHBondContact O-N 3.22Å; Q136-K140 WeakPolarHBondContact O-CB 3.29Å; Q136-K140 WeakPolarHBondContact O-CG 3.4Å; Q136-K140 PolarHBondContact O-N 2.88Å
137A85.9Confident78.6Confident59 Ų5995.4 Ų95.449%0.48847%0.466SS..Hα-helixtrans-63.2-42.117700000111.9P133 E134 D135 K140 Q141P133-A137 PolarHBondContact O-N 2.96Å; P133-A137 VanDerWaalsContact O-N 3.15Å; E134-A137 PolarHBondContact O-N 3.3Å; D135-A137 VanDerWaalsContact C-N 3.34Å; A137-K140 PolarHBondContact O-N 2.83Å; A137-Q141 WeakPolarHBondContact O-CB 3.47Å; A137-Q141 PolarHBondContact O-N 3.36Å
138K86Confident81Confident93 Ų9394.6 Ų94.640%0.40446%0.464SS..Hα-helixtrans-62.5-42.9174.1-70.3172.4-164.6150.20111.9E134 D135 Q136 Q141 F142E134-K138 WeakPolarHBondContact O-CG 3.33Å; E134-K138 PolarHBondContact O-N 2.93Å; E134-K138 WeakPolarHBondContact OE1-CE 3.19Å; E134-K138 IonicContact OE1-NZ 2.7Å; E134-K138 PolarHBondContact OE1-NZ 3.12Å; D135-K138 PolarHBondContact O-N 3.26Å; D135-K138 IonicContact OD1-NZ 3.08Å; D135-K138 PolarHBondContact OD1-NZ 3.48Å; D135-K138 VanDerWaalsContact OD1-NZ 3.08Å; Q136-K138 PolarHBondContact O-N 2.87Å; K138-Q141 PolarHBondContact O-N 3.28Å; K138-F142 WeakPolarHBondContact O-CB 3.29Å; K138-F142 PolarHBondContact O-N 2.88Å
139K84.4Confident83.4Confident59 Ų5999.1 Ų99.126%0.25749%0.485SS..Hα-helixtrans-60.4-47.5175.9-172.8-176.9178.7-175.70110.2D135 Q136 F142 Q143D135-K139 WeakPolarHBondContact O-CB 3.33Å; D135-K139 PolarHBondContact O-N 2.93Å; Q136-K139 PolarHBondContact O-N 3.22Å; K139-F142 PolarHBondContact O-N 2.95Å; K139-Q143 WeakPolarHBondContact O-CG 3.21Å; K139-Q143 PolarHBondContact O-N 2.95Å
140K90.3Very high85.8Confident94 Ų94100 Ų10041%0.40948%0.479SS..Hα-helixtrans-61-46.3176.9-73.6172.6-179.5169.20111.6E128 Q136 A137 F142 Q143 I144E128-K140 VanDerWaalsContact OE1-CE 3.29Å; E128-K140 WeakPolarHBondContact OE1-CE 3.17Å; E128-K140 IonicContact OE1-NZ 3.78Å; E128-K140 WeakPolarHBondContact OE2-CE 3.28Å; E128-K140 IonicContact OE2-NZ 2.95Å; E128-K140 PolarHBondContact OE2-NZ 2.91Å; Q136-K140 WeakPolarHBondContact O-CB 3.29Å; Q136-K140 WeakPolarHBondContact O-CG 3.4Å; Q136-K140 PolarHBondContact O-N 2.88Å; A137-K140 PolarHBondContact O-N 2.83Å; K140-F142 PolarHBondContact O-N 3.49Å; K140-Q143 PolarHBondContact O-N 3.48Å; K140-I144 WeakPolarHBondContact O-CG1 3.45Å; K140-I144 PolarHBondContact O-N 2.8Å
141Q93.8Very high87.7Confident129 Ų12998.6 Ų98.660%0.60348%0.476SS*.Hα-helixtrans-60.6-44.1175.1-174.8-178.6-2.800111.9A137 K138 Q143 I144 M145A137-Q141 WeakPolarHBondContact O-CB 3.47Å; A137-Q141 PolarHBondContact O-N 3.36Å; K138-Q141 PolarHBondContact O-N 3.28Å; Q141-Q143 PolarHBondContact O-N 3.26Å; Q141-I144 PolarHBondContact O-N 2.86Å; Q141-M145 HydrophobicContact CG-CG 4.44Å; Q141-M145 WeakPolarHBondContact O-CB 3.24Å; Q141-M145 VanDerWaalsContact O-CG 3.26Å; Q141-M145 WeakPolarHBondContact O-CG 3.13Å; Q141-M145 PolarHBondContact O-N 3.41Å
142F93.6Very high89.4Confident130 Ų130101.4 Ų101.457%0.5749%0.487SS*.Hα-helixtrans-62-42.5177.2175.7-99000111.8K138 K139 K140 I144 M145 R146K138-F142 WeakPolarHBondContact O-CB 3.29Å; K138-F142 PolarHBondContact O-N 2.88Å; K139-F142 PolarHBondContact O-N 2.95Å; K140-F142 PolarHBondContact O-N 3.49Å; F142-I144 PolarHBondContact O-N 3.13Å; F142-M145 PolarHBondContact O-N 3.41Å; F142-R146 VanDerWaalsContact O-CB 3.23Å; F142-R146 WeakPolarHBondContact O-CB 3.32Å; F142-R146 PolarHBondContact O-N 2.96Å
143Q93.2Very high90.3Very high73 Ų73101.1 Ų101.134%0.34150%0.497SS..Hα-helixtrans-61.2-43.9176.4-71.5-178.842.500111.9K139 K140 Q141 R146 K147K139-Q143 WeakPolarHBondContact O-CG 3.21Å; K139-Q143 PolarHBondContact O-N 2.95Å; K140-Q143 PolarHBondContact O-N 3.48Å; Q141-Q143 PolarHBondContact O-N 3.26Å; Q143-R146 PolarHBondContact O-N 3.18Å; Q143-K147 WeakPolarHBondContact O-CB 3.46Å; Q143-K147 PolarHBondContact O-N 3.25Å
144I96.1Very high91.1Very high111 Ų111102.9 Ų102.957%0.56950%0.5SS*.Hα-helixtrans-61.6-49175.3-66.5166.3000110.4K140 Q141 F142 R146 K147 M148K140-I144 WeakPolarHBondContact O-CG1 3.45Å; K140-I144 PolarHBondContact O-N 2.8Å; Q141-I144 PolarHBondContact O-N 2.86Å; F142-I144 PolarHBondContact O-N 3.13Å; I144-R146 VanDerWaalsContact C-N 3.33Å; I144-R146 PolarHBondContact O-N 2.75Å; I144-K147 PolarHBondContact O-N 3.41Å; I144-M148 WeakPolarHBondContact O-CG 3.36Å; I144-M148 PolarHBondContact O-N 3.5Å
145M96.6Very high92Very high119 Ų119101.1 Ų101.159%0.58649%0.494SS*.Hα-helixtrans-58.4-44.8177.8-73.7-65.7-65.400111.7Q141 F142 M148 H149Q141-M145 HydrophobicContact CG-CG 4.44Å; Q141-M145 WeakPolarHBondContact O-CB 3.24Å; Q141-M145 VanDerWaalsContact O-CG 3.26Å; Q141-M145 WeakPolarHBondContact O-CG 3.13Å; Q141-M145 PolarHBondContact O-N 3.41Å; F142-M145 PolarHBondContact O-N 3.41Å; M145-M148 PolarHBondContact O-N 3.43Å; M145-H149 WeakPolarHBondContact O-CB 3.37Å; M145-H149 PolarHBondContact O-N 3.03Å
146R96.6Very high92.9Very high126 Ų126103.9 Ų103.948%0.47551%0.508SS..Hα-helixtrans-61.1-45177.1-174.9177.868.7179.4-0.3111.4F142 Q143 I144 M148 H149 Y150F142-R146 VanDerWaalsContact O-CB 3.23Å; F142-R146 WeakPolarHBondContact O-CB 3.32Å; F142-R146 PolarHBondContact O-N 2.96Å; Q143-R146 PolarHBondContact O-N 3.18Å; I144-R146 VanDerWaalsContact C-N 3.33Å; I144-R146 PolarHBondContact O-N 2.75Å; R146-M148 VanDerWaalsContact C-N 3.32Å; R146-M148 PolarHBondContact O-N 3.04Å; R146-H149 PolarHBondContact O-N 3.4Å; R146-Y150 HydrophobicContact CG-CD2 3.64Å; R146-Y150 HydrophobicContact CG-CE2 3.57Å; R146-Y150 WeakPolarHBondContact O-CD2 3.49Å; R146-Y150 PolarHBondContact O-N 2.99Å; R146-Y150 VanDerWaalsContact O-N 3.12Å
147K96.3Very high93.6Very high163 Ų163111.8 Ų111.871%0.70954%0.536SS*.Hα-helixtrans-61.8-40.1176.9-177.1176.6-179.8174.90111.7Q143 I144Q143-K147 WeakPolarHBondContact O-CB 3.46Å; Q143-K147 PolarHBondContact O-N 3.25Å; I144-K147 PolarHBondContact O-N 3.41Å
148M95.1Very high94Very high136 Ų136114.6 Ų114.667%0.6754%0.54SS*.Hα-helixtrans-72-32.2176.5-69.8-60.7-62.800113I144 M145 R146I144-M148 WeakPolarHBondContact O-CG 3.36Å; I144-M148 PolarHBondContact O-N 3.5Å; M145-M148 PolarHBondContact O-N 3.43Å; R146-M148 VanDerWaalsContact C-N 3.32Å; R146-M148 PolarHBondContact O-N 3.04Å
149H97.4Very high94.5Very high125 Ų125112.3 Ų112.358%0.57954%0.539SS*.Hα-helixtrans-72.4-46.4-178.3-177.959.4000112.7M145 R146 N151M145-H149 WeakPolarHBondContact O-CB 3.37Å; M145-H149 PolarHBondContact O-N 3.03Å; R146-H149 PolarHBondContact O-N 3.4Å; H149-N151 VanDerWaalsContact C-N 3.28Å; H149-N151 PolarHBondContact O-N 3.16Å
150Y96.9Very high95.1Very high153 Ų153118 Ų11860%0.656%0.559SS**  trans-81.374.7-178.1-68.4-59.9000111.7R146 E152R146-Y150 HydrophobicContact CG-CD2 3.64Å; R146-Y150 HydrophobicContact CG-CE2 3.57Å; R146-Y150 WeakPolarHBondContact O-CD2 3.49Å; R146-Y150 PolarHBondContact O-N 2.99Å; R146-Y150 VanDerWaalsContact O-N 3.12Å; Y150-E152 WeakPolarHBondContact CA-OE2 3.29Å
151N95.7Very high95.4Very high92 Ų92119.1 Ų119.149%0.49257%0.566SS.*  trans-111.89-179.269.76.9000113.8H149 G153 L154H149-N151 VanDerWaalsContact C-N 3.28Å; H149-N151 PolarHBondContact O-N 3.16Å; N151-G153 PolarHBondContact O-N 3Å; N151-L154 WeakPolarHBondContact O-CB 3.28Å; N151-L154 PolarHBondContact O-N 3.2Å
152E93.8Very high95.5Very high101 Ų101117.9 Ų117.947%0.47256%0.562SS.*G310 helixtrans-57.5-29.7-173.5-58.988.2161.700112.2Y150 L154 N155 I156Y150-E152 WeakPolarHBondContact CA-OE2 3.29Å; E152-L154 PolarHBondContact O-N 3.06Å; E152-L154 VanDerWaalsContact O-N 3.16Å; E152-N155 PolarHBondContact O-N 2.93Å; E152-I156 WeakPolarHBondContact O-CG1 3.36Å; E152-I156 PolarHBondContact O-N 2.9Å
153G95.1Very high95.5Very high56 Ų56116.9 Ų116.958%0.57756%0.562SS**G310 helixtrans-51.4-34.6174.500000114.2N151 N155 I156N151-G153 PolarHBondContact O-N 3Å; G153-N155 VanDerWaalsContact C-N 3.29Å; G153-N155 PolarHBondContact O-N 3.4Å; G153-I156 PolarHBondContact O-N 2.98Å
154L94.2Very high95.6Very high142 Ų142116 Ų11674%0.74357%0.568SS**G310 helixtrans-63.5-36.3179.2-177.461.2000112.1N151 E152N151-L154 WeakPolarHBondContact O-CB 3.28Å; N151-L154 PolarHBondContact O-N 3.2Å; E152-L154 PolarHBondContact O-N 3.06Å; E152-L154 VanDerWaalsContact O-N 3.16Å
155N94.5Very high95.4Very high89 Ų89114.5 Ų114.548%0.47656%0.561SS.*G310 helixtrans-92.4-7.7-172.7-66.2-21.6000113.3E152 G153 R157 M158 A159E152-N155 PolarHBondContact O-N 2.93Å; G153-N155 VanDerWaalsContact C-N 3.29Å; G153-N155 PolarHBondContact O-N 3.4Å; N155-R157 VanDerWaalsContact C-N 3.31Å; N155-R157 PolarHBondContact O-N 3.41Å; N155-M158 PolarHBondContact O-N 3.45Å; N155-A159 WeakPolarHBondContact O-CB 3.43Å; N155-A159 PolarHBondContact O-N 3.35Å
156I96.7Very high95.2Very high84 Ų84114.6 Ų114.643%0.43156%0.56SS.*Hα-helixtrans-55.8-44.6-176.1-66.8178.7000111.8E152 G153 R160E152-I156 WeakPolarHBondContact O-CG1 3.36Å; E152-I156 PolarHBondContact O-N 2.9Å; G153-I156 PolarHBondContact O-N 2.98Å; I156-R160 VanDerWaalsContact O-CG 3.29Å; I156-R160 WeakPolarHBondContact O-CG 3.5Å; I156-R160 PolarHBondContact O-N 3.23Å
157R94.1Very high94.9Very high213 Ų213113.8 Ų113.880%0.80456%0.564SS**Hα-helixtrans-66.9-43.7-178.3-174.9177.1-178.5158.90.9111.7N155 R160 Q161N155-R157 VanDerWaalsContact C-N 3.31Å; N155-R157 PolarHBondContact O-N 3.41Å; R157-R160 PolarHBondContact O-N 3.16Å; R157-Q161 PolarHBondContact O-N 3.39Å; R157-Q161 VanDerWaalsContact O-N 3.14Å
158M94.6Very high94.5Very high118 Ų118108.3 Ų108.358%0.58155%0.549SS*.Hα-helixtrans-66.1-44.6179-175.6177.2176.800111N155 R160 Q161 L162N155-M158 PolarHBondContact O-N 3.45Å; M158-R160 VanDerWaalsContact C-N 3.33Å; M158-R160 PolarHBondContact O-N 3.49Å; M158-Q161 WeakPolarHBondContact O-CB 3.32Å; M158-Q161 PolarHBondContact O-N 3.02Å; M158-Q161 VanDerWaalsContact O-N 3.09Å; M158-L162 HydrophobicContact CE-CD1 4.41Å; M158-L162 HydrophobicContact CG-CD1 4.42Å; M158-L162 WeakPolarHBondContact O-CG 3.47Å; M158-L162 PolarHBondContact O-N 2.88Å
159A96.2Very high93.9Very high45 Ų45107.4 Ų107.437%0.37254%0.543SS..Hα-helixtrans-58.7-43.8176.300000111.9N155 Q161 L162 I163N155-A159 WeakPolarHBondContact O-CB 3.43Å; N155-A159 PolarHBondContact O-N 3.35Å; A159-Q161 VanDerWaalsContact C-N 3.29Å; A159-Q161 PolarHBondContact O-N 3.49Å; A159-L162 PolarHBondContact O-N 3.44Å; A159-I163 WeakPolarHBondContact O-CD1 3.37Å; A159-I163 VanDerWaalsContact O-CG1 3.28Å; A159-I163 WeakPolarHBondContact O-CG1 3.45Å; A159-I163 PolarHBondContact O-N 3.22Å
160R96.6Very high92.7Very high180 Ų180106.6 Ų106.668%0.67954%0.54SS*.Hα-helixtrans-58.5-40.6174.1-74.9174.5-177-178.42.1112.5I156 R157 M158 A164I156-R160 VanDerWaalsContact O-CG 3.29Å; I156-R160 WeakPolarHBondContact O-CG 3.5Å; I156-R160 PolarHBondContact O-N 3.23Å; R157-R160 PolarHBondContact O-N 3.16Å; M158-R160 VanDerWaalsContact C-N 3.33Å; M158-R160 PolarHBondContact O-N 3.49Å; R160-A164 WeakPolarHBondContact O-CB 3.49Å; R160-A164 PolarHBondContact O-N 3.48Å
161Q96.1Very high91.3Very high117 Ų117102.8 Ų102.855%0.54753%0.532SS..Hα-helixtrans-68.6-42.4178-174.61757.300111.9R157 M158 A159 I163 A164 N165R157-Q161 PolarHBondContact O-N 3.39Å; R157-Q161 VanDerWaalsContact O-N 3.14Å; M158-Q161 WeakPolarHBondContact O-CB 3.32Å; M158-Q161 PolarHBondContact O-N 3.02Å; M158-Q161 VanDerWaalsContact O-N 3.09Å; A159-Q161 VanDerWaalsContact C-N 3.29Å; A159-Q161 PolarHBondContact O-N 3.49Å; Q161-I163 VanDerWaalsContact C-N 3.35Å; Q161-I163 PolarHBondContact O-N 3.03Å; Q161-A164 PolarHBondContact O-N 3Å; Q161-N165 VanDerWaalsContact O-CG 3.32Å; Q161-N165 PolarHBondContact O-N 3.19Å; Q161-N165 PolarHBondContact O-OD1 3.43Å
162L95.9Very high89.7Confident102 Ų102103.4 Ų103.453%0.53454%0.536SS..Hα-helixtrans-59.8-45.4176.1-70.7173.9000111.5M158 A159 A164 N165 E166M158-L162 HydrophobicContact CE-CD1 4.41Å; M158-L162 HydrophobicContact CG-CD1 4.42Å; M158-L162 WeakPolarHBondContact O-CG 3.47Å; M158-L162 PolarHBondContact O-N 2.88Å; A159-L162 PolarHBondContact O-N 3.44Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 3.3Å; L162-N165 PolarHBondContact O-N 3.07Å; L162-E166 WeakPolarHBondContact O-CB 3.48Å; L162-E166 PolarHBondContact O-N 2.92Å
163I94.3Very high88Confident109 Ų109104.1 Ų104.156%0.55954%0.537SS*.Hα-helixtrans-61-42.3175.8-65.7163.5000111.1A159 Q161 L167A159-I163 WeakPolarHBondContact O-CD1 3.37Å; A159-I163 VanDerWaalsContact O-CG1 3.28Å; A159-I163 WeakPolarHBondContact O-CG1 3.45Å; A159-I163 PolarHBondContact O-N 3.22Å; Q161-I163 VanDerWaalsContact C-N 3.35Å; Q161-I163 PolarHBondContact O-N 3.03Å; I163-L167 WeakPolarHBondContact O-CB 3.41Å; I163-L167 PolarHBondContact O-N 3.09Å
164A94.9Very high86.3Confident56 Ų56107.3 Ų107.346%0.46354%0.541SS..Hα-helixtrans-65.5-40179.100000112.3R160 Q161 L162 A168R160-A164 WeakPolarHBondContact O-CB 3.49Å; R160-A164 PolarHBondContact O-N 3.48Å; Q161-A164 PolarHBondContact O-N 3Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 3.3Å; A164-A168 WeakPolarHBondContact O-CB 3.38Å; A164-A168 PolarHBondContact O-N 3.44Å
165N92.3Very high84.6Confident79 Ų79106.5 Ų106.542%0.42253%0.534SS..Hα-helixtrans-69.1-44.9176.9-70.33.4000111.5Q161 L162 L167 A168 E169Q161-N165 VanDerWaalsContact O-CG 3.32Å; Q161-N165 PolarHBondContact O-N 3.19Å; Q161-N165 PolarHBondContact O-OD1 3.43Å; L162-N165 PolarHBondContact O-N 3.07Å; N165-L167 VanDerWaalsContact C-N 3.29Å; N165-L167 PolarHBondContact O-N 3.14Å; N165-A168 PolarHBondContact O-N 3.28Å; N165-A168 VanDerWaalsContact O-N 3.14Å; N165-E169 WeakPolarHBondContact O-CG 3.25Å; N165-E169 PolarHBondContact O-N 2.85Å
166E91.5Very high82.7Confident121 Ų121109.4 Ų109.457%0.56554%0.544SS*.Hα-helixtrans-56.4-44.5175.9-177.6176.2-170.300110.9L162 A168 E169 E170L162-E166 WeakPolarHBondContact O-CB 3.48Å; L162-E166 PolarHBondContact O-N 2.92Å; E166-A168 PolarHBondContact O-N 3.36Å; E166-E169 PolarHBondContact O-N 2.91Å; E166-E170 PolarHBondContact O-N 3.38Å
167L91.4Very high80.8Confident108 Ų108111.6 Ų111.657%0.56555%0.554SS**Hα-helixtrans-66-37.3176.8-172.464.9000112.9I163 N165 E170 V171I163-L167 WeakPolarHBondContact O-CB 3.41Å; I163-L167 PolarHBondContact O-N 3.09Å; N165-L167 VanDerWaalsContact C-N 3.29Å; N165-L167 PolarHBondContact O-N 3.14Å; L167-E170 PolarHBondContact O-N 3.4Å; L167-V171 WeakPolarHBondContact O-CG2 3.49Å; L167-V171 PolarHBondContact O-N 3.48Å
168A87.4Confident79Confident49 Ų49109.4 Ų109.441%0.40555%0.546SS..Hα-helixtrans-68.6-41.7176.700000112.1A164 N165 E166 E170 V171 D172A164-A168 WeakPolarHBondContact O-CB 3.38Å; A164-A168 PolarHBondContact O-N 3.44Å; N165-A168 PolarHBondContact O-N 3.28Å; N165-A168 VanDerWaalsContact O-N 3.14Å; E166-A168 PolarHBondContact O-N 3.36Å; A168-E170 PolarHBondContact O-N 3.21Å; A168-V171 PolarHBondContact O-N 3.02Å; A168-V171 VanDerWaalsContact O-N 3.16Å; A168-D172 PolarHBondContact O-N 3.32Å; A168-D172 VanDerWaalsContact O-N 3.1Å
169E81.7Confident77.1Confident116 Ų116109.8 Ų109.854%0.54255%0.55SS.*Hα-helixtrans-66.4-21.1176.5-73.8-178.3-159.900113.8N165 E166 K173N165-E169 WeakPolarHBondContact O-CG 3.25Å; N165-E169 PolarHBondContact O-N 2.85Å; E166-E169 PolarHBondContact O-N 2.91Å; E169-K173 WeakPolarHBondContact O-CD 3.34Å; E169-K173 WeakPolarHBondContact O-CG 3.42Å; E169-K173 PolarHBondContact O-NZ 3.27Å
170E72.3Confident75.1Confident108 Ų108114.5 Ų114.551%0.50557%0.565SS.*Hα-helixtrans-77.1-39.7170.6-73.7-170.4165.100111.7E166 L167 A168 K173 D174E166-E170 PolarHBondContact O-N 3.38Å; L167-E170 PolarHBondContact O-N 3.4Å; A168-E170 PolarHBondContact O-N 3.21Å; E170-K173 PolarHBondContact O-N 3.26Å; E170-D174 PolarHBondContact O-N 2.94Å
171V68.2Low73.2Confident73 Ų73110.7 Ų110.744%0.44256%0.562SS.*Hα-helixtrans-65-44177.8175.20000111.6L167 A168 K173 D174 E175L167-V171 WeakPolarHBondContact O-CG2 3.49Å; L167-V171 PolarHBondContact O-N 3.48Å; A168-V171 PolarHBondContact O-N 3.02Å; A168-V171 VanDerWaalsContact O-N 3.16Å; V171-K173 VanDerWaalsContact C-N 3.31Å; V171-K173 PolarHBondContact O-N 3.32Å; V171-D174 PolarHBondContact O-N 3.14Å; V171-E175 PolarHBondContact O-N 3.39Å; V171-E175 VanDerWaalsContact O-N 3.11Å
172D61.3Low71.3Confident105 Ų105111.5 Ų111.556%0.56157%0.565SS**Hα-helixtrans-64.3-34.7-179.2-70.6-16.9000112.2A168 E176A168-D172 PolarHBondContact O-N 3.32Å; A168-D172 VanDerWaalsContact O-N 3.1Å; D172-E176 PolarHBondContact O-N 3.22Å; D172-E176 VanDerWaalsContact O-N 3.14Å
173K60Low69.3Low116 Ų116113.8 Ų113.850%0.50458%0.578SS.*Hα-helixtrans-70-35.6175.8-72.6173.3-167.7125.10112.7E169 E170 V171 M177E169-K173 WeakPolarHBondContact O-CD 3.34Å; E169-K173 WeakPolarHBondContact O-CG 3.42Å; E169-K173 PolarHBondContact O-NZ 3.27Å; E170-K173 PolarHBondContact O-N 3.26Å; V171-K173 VanDerWaalsContact C-N 3.31Å; V171-K173 PolarHBondContact O-N 3.32Å; K173-M177 VanDerWaalsContact O-CG 3.25Å; K173-M177 WeakPolarHBondContact O-CG 3.41Å; K173-M177 PolarHBondContact O-N 3.37Å
174D57.5Low67.5Low123 Ų123114.9 Ų114.966%0.65858%0.584SS**Hα-helixtrans-72.3-30.9178-77.9-15.6000112E170 V171E170-D174 PolarHBondContact O-N 2.94Å; V171-D174 PolarHBondContact O-N 3.14Å
175E58.6Low65.6Low126 Ų126119 Ų11959%0.58960%0.598SS**Hα-helixtrans-72.6-42.4173.2-72-167.5170.200112.5V171 M177 R178 D179V171-E175 PolarHBondContact O-N 3.39Å; V171-E175 VanDerWaalsContact O-N 3.11Å; E175-M177 VanDerWaalsContact C-N 3.28Å; E175-M177 PolarHBondContact O-N 3.1Å; E175-R178 WeakPolarHBondContact O-CB 3.46Å; E175-R178 PolarHBondContact O-N 3.31Å; E175-D179 PolarHBondContact O-N 3.11Å
176E55.3Low63.9Low150 Ų150120.8 Ų120.870%0.70161%0.611SS**Hα-helixtrans-63.9-32.1179.6-144173.1-155.400112.4D172 R178D172-E176 PolarHBondContact O-N 3.22Å; D172-E176 VanDerWaalsContact O-N 3.14Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-R178 PolarHBondContact O-N 2.9Å
177M56.9Low62.1Low129 Ų129121.8 Ų121.864%0.63562%0.62SS**Hα-helixtrans-75.9-15.7174.6-67.5-67.9-65.400113.8K173 E175K173-M177 VanDerWaalsContact O-CG 3.25Å; K173-M177 WeakPolarHBondContact O-CG 3.41Å; K173-M177 PolarHBondContact O-N 3.37Å; E175-M177 VanDerWaalsContact C-N 3.28Å; E175-M177 PolarHBondContact O-N 3.1Å
178R57Low60.4Low167 Ų167121 Ų12163%0.6363%0.625SS**Hα-helixtrans-84.5-39.2179.9-164.6175.2178.1-137.9-10.8111.4E175 E176 E180 T181E175-R178 WeakPolarHBondContact O-CB 3.46Å; E175-R178 PolarHBondContact O-N 3.31Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-R178 PolarHBondContact O-N 2.9Å; R178-E180 VanDerWaalsContact C-N 3.35Å; R178-E180 PolarHBondContact O-N 3.14Å; R178-T181 PolarHBondContact O-N 3.3Å; R178-T181 PolarHBondContact O-OG1 3.09Å
179D53.8Low58.7Low126 Ų126124.4 Ų124.467%0.67464%0.642SS**Hα-helixtrans-67.2-29.4-179.8-85.2-7.3000113.3E175 T181E175-D179 PolarHBondContact O-N 3.11Å; D179-T181 PolarHBondContact O-N 3.12Å
180E54.6Low57.2Low145 Ų145128 Ų12868%0.67866%0.659SS**THydrogen-bonded Turntrans-70-15.3176.9-67.9-169.3165.200114.1R178R178-E180 VanDerWaalsContact C-N 3.35Å; R178-E180 PolarHBondContact O-N 3.14Å
181T57.2Low56Low100 Ų100127.2 Ų127.261%0.61367%0.671SS**THydrogen-bonded Turntrans-97.4-13.2-176.5640000114.8R178 D179R178-T181 PolarHBondContact O-N 3.3Å; R178-T181 PolarHBondContact O-OG1 3.09Å; D179-T181 PolarHBondContact O-N 3.12Å
182E55.8Low55.4Low133 Ų133128.6 Ų128.662%0.62169%0.69SS**SBendtrans-88.1-11.8-177.3-62.8-145.3173.400114
183D53.9Low55Low151 Ų151131.1 Ų131.181%0.80770%0.703SS**SBendtrans-90.4-1.7-179.5-84.3-24000115.2N185D183-N185 PolarHBondContact O-N 2.99Å
184I55.4Low54.4Low132 Ų132133 Ų13368%0.67772%0.718SS**  trans-87.463.8172.5-57.5167.8000109.1V186I184-V186 VanDerWaalsContact C-N 3.32Å; I184-V186 HydrophobicContact CG2-CG2 3.63Å; I184-V186 PolarHBondContact O-N 3.02Å
185N54.7Low54.3Low143 Ų143136.5 Ų136.577%0.76575%0.752SS**  trans-7488.7166-172.221.9000108.7D183 D187D183-N185 PolarHBondContact O-N 2.99Å; N185-D187 VanDerWaalsContact C-N 3.34Å; N185-D187 PolarHBondContact O-N 3.06Å
186V57.5Low54.1Low115 Ų115137 Ų13770%0.69776%0.761SS**  trans-70.591.1172.4-173.40000108.2I184 S188I184-V186 VanDerWaalsContact C-N 3.32Å; I184-V186 HydrophobicContact CG2-CG2 3.63Å; I184-V186 PolarHBondContact O-N 3.02Å; V186-S188 PolarHBondContact O-N 3.26Å; V186-S188 VanDerWaalsContact O-N 3.09Å
187D54.2Low54Low142 Ų142136.3 Ų136.376%0.75976%0.764SS**  trans-59.4112.2172-168.139.3000109.3N185N185-D187 VanDerWaalsContact C-N 3.34Å; N185-D187 PolarHBondContact O-N 3.06Å
188S54.9Low53.9Low93 Ų93136.7 Ų136.765%0.6577%0.771SS**PPolyproline II helixtrans-81.5129.3-176.3-169.70000109.1V186 Q190V186-S188 PolarHBondContact O-N 3.26Å; V186-S188 VanDerWaalsContact O-N 3.09Å; S188-Q190 PolarHBondContact O-N 3.44Å; S188-Q190 VanDerWaalsContact O-N 3.12Å
189P52.4Low53.7Low119 Ų119134.9 Ų134.977%0.77378%0.779SS**PPolyproline II helixtrans-66.4117.4-171.525.2-31.9000111.2A191P189-A191 PolarHBondContact O-N 3.28Å
190Q49.8Very low53.7Low191 Ų191135.5 Ų135.589%0.89379%0.786SS**PPolyproline II helixtrans-59.9121.1179.3-147.8121.115.700110.7S188S188-Q190 PolarHBondContact O-N 3.44Å; S188-Q190 VanDerWaalsContact O-N 3.12Å
191A48.1Very low53.6Low92 Ų92134.9 Ų134.976%0.7679%0.793SS**PPolyproline II helixtrans-60.7133.3177.100000111.7P189P189-A191 PolarHBondContact O-N 3.28Å
192A54.1Low53.3Low103 Ų103137.4 Ų137.485%0.85181%0.806SS**PPolyproline II helixtrans-72.5120.5173.800000111.8
193L54.2Low53.2Low158 Ų158137.7 Ų137.783%0.82782%0.82SS**  trans-140.9120.6159-71.1169.1000103.6
194D46.4Very low53.1Low155 Ų155136.6 Ų136.683%0.82982%0.821SS**  -155.8152.857.7-90.7-31.8000111.4
195S55.5Low52.9Low196 Ų196137 Ų137100%1.37183%0.834SS**  trans-129.10153.6-73.50000109

Retrieved 195 of 195 residues in 335 ms (Link to these results)