A0A087WS38_MOUSE Loading...

Teashirt zinc finger family member 2

AlphaFold DB , UniProt , Accession A0A087WS38, Species MOUSE (Mus musculus, Mouse), Gene Tshz2, Length 522 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
1G34.3Very low35.7Very low120 Ų120149.9 Ų149.9100%1.23786%0.855SS**  061.5000000107
2E33.6Very low35.3Very low188 Ų188145.3 Ų145.388%0.87984%0.839SS**  trans-84.6170.7-176.8-63.7103127.400111.4
3G36Very low35Very low65 Ų65147.2 Ų147.267%0.6784%0.835SS**  trans-141.4157.8158.200000109.2
4I40Very low34.7Very low170 Ų170145.9 Ų145.987%0.87283%0.825SS**  trans-170147.9162.1-98.3148.2000105.3
5E37.9Very low34.4Very low192 Ų192150 Ų15090%0.89782%0.824SS**  trans-102.6166.3-177.7-65176.9121.100112
6D38.5Very low34.1Very low169 Ų169149.9 Ų149.990%0.90482%0.816SS**  trans-83.3177.3-154.4-80.2-55.2000118.8
7E36.9Very low33.9Very low172 Ų172149.2 Ų149.280%0.80481%0.812SS**  trans-79.7134.8-169-68.8-163.895.800117.9
8Q35.8Very low33.7Very low181 Ų181145.2 Ų145.285%0.84680%0.797SS**  29.2125.8116.5-161.4-173.413600121.5
9G29.6Very low33.8Very low61 Ų61145.8 Ų145.863%0.62980%0.798SS**  131.2164.6121.700000121.4
10V34.8Very low33.7Very low135 Ų135147.2 Ų147.282%0.81880%0.798SS**  trans73.9115.5164.2-1700000115.3
11K35.8Very low33.6Very low196 Ų196149.8 Ų149.885%0.85280%0.802SS**  77.1147.252.9-65.9179.3179.1179.80113.1
12S30.4Very low34Very low94 Ų94148.9 Ų148.966%0.65777%0.774SS**  cis-156.7-158.3-1.2-156.60000111.1
13E31.2Very low34.1Very low170 Ų170147.9 Ų147.979%0.79477%0.774SS**  trans96.3120.4159-65.6148.6-132.400116.3
14D31.2Very low33.9Very low130 Ų130150.4 Ų150.470%0.69577%0.773SS**  cis88.2136.146.7-74.8-54000113
15Y30Very low34.2Very low207 Ų207148.3 Ų148.381%0.81277%0.77SS**  cis-157.2-172.8-10.2-161-110.4000110.6
16E30.4Very low34.7Very low148 Ų148144.5 Ų144.569%0.69276%0.76SS**  trans-46.7155.2-179.4-85.3-82.7-167.400119.2
17D30.7Very low35.2Very low139 Ų139144.3 Ų144.374%0.74376%0.757SS**  -174.6137.6108.1-168.531000116.1
18S30.3Very low35.7Very low77 Ų77143.9 Ų143.954%0.53875%0.753SS.*  trans87.1122.2140.7-92.80000126.2
19L34.8Very low35.9Very low157 Ų157143.3 Ų143.382%0.82274%0.744SS**  trans90.3145.8144-63.9172.8000121.2
20Q31.5Very low37Very low173 Ų173148.9 Ų148.981%0.80875%0.754SS**  trans-130.1132.7-146.1-60.3156.5-46.600114.8
21K31.2Very low37.9Very low201 Ų201152.1 Ų152.187%0.87475%0.753SS**  trans64.3171.6142.6-83.2179.8177.2174.70118.8
22P44.1Very low39.1Very low101 Ų101149 Ų14966%0.65674%0.744SS**  cis-127179.6-333.8-14.6000116.1
23L34.8Very low40.9Very low168 Ų168151.7 Ų151.788%0.8874%0.74SS**  trans74.5136.7167.9-43.2-179.2000115.6
24D32.1Very low41.9Very low118 Ų118151.4 Ų151.463%0.63174%0.739SS**  cis-136.2132.44.4176.6-27000109.1T26D24-T26 VanDerWaalsContact C-N 3.31Å; D24-T26 PolarHBondContact O-N 3.09Å; D24-T26 WeakPolarHBondContact OD1-CB 3.26Å; D24-T26 PolarHBondContact OD1-N 2.86Å; D24-T26 PolarHBondContact OD1-OG1 3.01Å
25P45.9Very low43.4Very low126 Ų126149.4 Ų149.482%0.81873%0.725SS**  trans-78.74.7-173.433.7-38.1000116.3I27P25-I27 PolarHBondContact O-N 2.69Å
26T47.8Very low45.1Very low112 Ų112143.8 Ų143.869%0.68771%0.709SS**  trans-85.4-1.5-160.2-50.80000116.3D24D24-T26 VanDerWaalsContact C-N 3.31Å; D24-T26 PolarHBondContact O-N 3.09Å; D24-T26 WeakPolarHBondContact OD1-CB 3.26Å; D24-T26 PolarHBondContact OD1-N 2.86Å; D24-T26 PolarHBondContact OD1-OG1 3.01Å
27I50Low46.4Very low164 Ų164142.8 Ų142.884%0.84171%0.708SS**  trans-129.380-171.3-43.1179.8000113.7P25P25-I27 PolarHBondContact O-N 2.69Å
28K47.5Very low47.5Very low163 Ų163143.2 Ų143.271%0.70971%0.706SS**  trans-150.6141.2159.2-146.4177.6179-1610111.6
29Y40.3Very low48.4Very low170 Ų170146.9 Ų146.967%0.66772%0.719SS**  trans68.191.1179.2-50.3-72.8000116.1Y31Y29-Y31 VanDerWaalsContact C-N 3.27Å
30Q52Low49.1Very low178 Ų178142.6 Ų142.683%0.83271%0.713SS**  trans-89.412.9167.3-178.650.996.300112.3
31Y53.1Low50.1Low203 Ų203139.4 Ų139.480%0.79671%0.71SS**SBendtrans-113.6117.9177.8-64.7-74.9000108.7Y29 R33Y29-Y31 VanDerWaalsContact C-N 3.27Å; Y31-R33 PolarHBondContact O-N 3.17Å
32L61.5Low51.1Low129 Ų129139.7 Ų139.768%0.67571%0.711SS**  trans-53.7126.8173-161.976.9000108.7D36 L37L32-D36 HydrophobicContact CD1-CB 3.49Å; L32-D36 VanDerWaalsContact CD1-CB 3.49Å; L32-D36 WeakPolarHBondContact CD1-OD2 3.19Å; L32-D36 HydrophobicContact CD2-CB 4.48Å; L32-D36 HydrophobicContact CG-CB 3.69Å; L32-L37 HydrophobicContact CD2-CG 4.5Å
33R68.1Low51.5Low152 Ų152137.9 Ų137.957%0.57471%0.711SS**  trans-101168.3-178.2-160.6167.157-172.3-8.9110Y31 E35 D36Y31-R33 PolarHBondContact O-N 3.17Å; R33-E35 VanDerWaalsContact C-N 3.25Å; R33-E35 VanDerWaalsContact CB-OE2 3.25Å; R33-E35 WeakPolarHBondContact CB-OE2 3.36Å; R33-E35 WeakPolarHBondContact CG-OE2 3.47Å; R33-E35 IonicContact CZ-OE1 3.79Å; R33-E35 IonicContact CZ-OE2 3.57Å; R33-E35 VanDerWaalsContact NE-CD 3.31Å; R33-E35 IonicContact NE-OE1 2.72Å; R33-E35 PolarHBondContact NE-OE1 2.9Å; R33-E35 IonicContact NE-OE2 2.63Å; R33-E35 PolarHBondContact NE-OE2 2.83Å; R33-E35 IonicContact NH2-OE1 3.94Å; R33-E35 PolarHBondContact NH2-OE1 2.9Å; R33-E35 PolarHBondContact O-N 3.44Å; R33-D36 PolarHBondContact N-OD2 3.47Å; R33-D36 WeakPolarHBondContact O-CB 3.36Å; R33-D36 PolarHBondContact O-N 3.05Å
34E52.8Low52.4Low164 Ų164134.4 Ų134.477%0.76672%0.716SS**Hα-helixtrans-64.9-27.8-167.7-69.1166.6-144.600112.6D36 L37E34-D36 VanDerWaalsContact C-N 3.34Å; E34-D36 PolarHBondContact O-N 3.36Å; E34-L37 PolarHBondContact O-N 2.85Å
35E62.3Low53.7Low88 Ų88131.4 Ų131.441%0.41171%0.712SS.*Hα-helixtrans-68.4-2817370.3-92.1-141.700114R33 L37 E38R33-E35 VanDerWaalsContact C-N 3.25Å; R33-E35 VanDerWaalsContact CB-OE2 3.25Å; R33-E35 WeakPolarHBondContact CB-OE2 3.36Å; R33-E35 WeakPolarHBondContact CG-OE2 3.47Å; R33-E35 IonicContact CZ-OE1 3.79Å; R33-E35 IonicContact CZ-OE2 3.57Å; R33-E35 VanDerWaalsContact NE-CD 3.31Å; R33-E35 IonicContact NE-OE1 2.72Å; R33-E35 PolarHBondContact NE-OE1 2.9Å; R33-E35 IonicContact NE-OE2 2.63Å; R33-E35 PolarHBondContact NE-OE2 2.83Å; R33-E35 IonicContact NH2-OE1 3.94Å; R33-E35 PolarHBondContact NH2-OE1 2.9Å; R33-E35 PolarHBondContact O-N 3.44Å; E35-L37 PolarHBondContact O-N 3.4Å; E35-E38 PolarHBondContact O-N 3.44Å
36D64.9Low54.7Low89 Ų89129 Ų12948%0.47669%0.693SS.*Hα-helixtrans-68.8-18.6177.4-59.4-52.7000111.8L32 R33 E34L32-D36 HydrophobicContact CD1-CB 3.49Å; L32-D36 VanDerWaalsContact CD1-CB 3.49Å; L32-D36 WeakPolarHBondContact CD1-OD2 3.19Å; L32-D36 HydrophobicContact CD2-CB 4.48Å; L32-D36 HydrophobicContact CG-CB 3.69Å; R33-D36 PolarHBondContact N-OD2 3.47Å; R33-D36 WeakPolarHBondContact O-CB 3.36Å; R33-D36 PolarHBondContact O-N 3.05Å; E34-D36 VanDerWaalsContact C-N 3.34Å; E34-D36 PolarHBondContact O-N 3.36Å
37L58.2Low55.9Low126 Ų126130.4 Ų130.466%0.6670%0.695SS**Hα-helixtrans-85.8-25175.4-80.7157.9000112.4L32 E34 E35L32-L37 HydrophobicContact CD2-CG 4.5Å; E34-L37 PolarHBondContact O-N 2.85Å; E35-L37 PolarHBondContact O-N 3.4Å
38E53.9Low56.8Low149 Ų149128.2 Ų128.270%0.69668%0.684SS**Hα-helixtrans-76.1-30.5-179.8-63.3-158.3109.100112.7E35 G40 S41E35-E38 PolarHBondContact O-N 3.44Å; E38-G40 PolarHBondContact O-N 2.95Å; E38-G40 VanDerWaalsContact O-N 3.15Å; E38-S41 WeakPolarHBondContact O-CB 3.4Å; E38-S41 PolarHBondContact O-N 3.45Å
39D49.3Very low58.3Low154 Ų154126.9 Ų126.982%0.82468%0.678SS**THydrogen-bonded Turntrans-68.2-12.3177.9-15338.1000113S41D39-S41 PolarHBondContact O-N 3.17Å
40G48.8Very low60.3Low67 Ų67122 Ų12269%0.69167%0.669SS**THydrogen-bonded Turntrans-69.5-12.8165.900000114.4E38 K42E38-G40 PolarHBondContact O-N 2.95Å; E38-G40 VanDerWaalsContact O-N 3.15Å; G40-K42 PolarHBondContact O-N 3.06Å
41S52.7Low61.7Low106 Ų106118.8 Ų118.874%0.74166%0.657SS**THydrogen-bonded Turntrans-97.835-165.9-154.80000114.8E38 D39E38-S41 WeakPolarHBondContact O-CB 3.4Å; E38-S41 PolarHBondContact O-N 3.45Å; D39-S41 PolarHBondContact O-N 3.17Å
42K52.9Low63.2Low206 Ų206114.7 Ų114.790%0.89665%0.645SS**THydrogen-bonded Turntrans-141.233.7173.2-142.6166.3-171.3169.80116.5G40G40-K42 PolarHBondContact O-N 3.06Å
43G51.9Low64.2Low64 Ų64113.6 Ų113.666%0.6664%0.64SS**  trans-14888.7173.800000113.5G45G43-G45 PolarHBondContact O-N 3.35Å
44G53.9Low65.3Low95 Ų95110.6 Ų110.698%0.97964%0.638SS**  trans-69.937.8162.700000113D46G44-D46 PolarHBondContact O-N 2.63Å
45G60Low67Low54 Ų54106.3 Ų106.356%0.55762%0.623SS**  trans-78.3100.1-177.200000110.3G43 I47G43-G45 PolarHBondContact O-N 3.35Å; G45-I47 PolarHBondContact O-N 3.05Å
46D67.8Low68Low77 Ų77105.6 Ų105.641%0.41263%0.625SS.*  trans13101.7161.7-179.15.5000114.3G44 L48 K49 S50G44-D46 PolarHBondContact O-N 2.63Å; D46-L48 PolarHBondContact O-N 2.98Å; D46-L48 WeakPolarHBondContact OD1-CB 3.34Å; D46-L48 PolarHBondContact OD1-N 2.87Å; D46-K49 HydrophobicContact CB-CB 4.25Å; D46-K49 WeakPolarHBondContact O-CA 3.47Å; D46-K49 WeakPolarHBondContact O-CB 3.41Å; D46-K49 PolarHBondContact O-N 3.11Å; D46-K49 IonicContact OD2-NZ 2.63Å; D46-S50 PolarHBondContact O-N 3.43Å
47I71.1Confident68.7Low141 Ų141104.5 Ų104.572%0.72362%0.621SS**Hα-helixtrans-53.6-31.9-174.2-60.2173.8000111.2G45 S50 L51G45-I47 PolarHBondContact O-N 3.05Å; I47-S50 PolarHBondContact O-N 3.42Å; I47-L51 WeakPolarHBondContact O-CB 3.15Å; I47-L51 PolarHBondContact O-N 3.46Å
48L70.7Confident70Confident117 Ų117101.2 Ų101.261%0.61361%0.613SS**Hα-helixtrans-64.7-46.6176.2-61.6174000111.4D46 S50 L51 E52D46-L48 PolarHBondContact O-N 2.98Å; D46-L48 WeakPolarHBondContact OD1-CB 3.34Å; D46-L48 PolarHBondContact OD1-N 2.87Å; L48-S50 PolarHBondContact O-N 3.37Å; L48-L51 CarbonylContact O-C 3.59Å; L48-L51 WeakPolarHBondContact O-CB 3.34Å; L48-L51 PolarHBondContact O-N 3.39Å; L48-E52 WeakPolarHBondContact O-CB 3.44Å; L48-E52 VanDerWaalsContact O-CG 3.3Å; L48-E52 WeakPolarHBondContact O-CG 3.44Å; L48-E52 PolarHBondContact O-N 3.34Å
49K79Confident71.2Confident135 Ų13597.8 Ų97.859%0.58760%0.598SS**Hα-helixtrans-65.5-35.8174.6-95170.1-176.71270113.5D46 L51 E52 N53D46-K49 HydrophobicContact CB-CB 4.25Å; D46-K49 WeakPolarHBondContact O-CA 3.47Å; D46-K49 WeakPolarHBondContact O-CB 3.41Å; D46-K49 PolarHBondContact O-N 3.11Å; D46-K49 IonicContact OD2-NZ 2.63Å; K49-L51 VanDerWaalsContact C-N 3.34Å; K49-E52 PolarHBondContact O-N 2.84Å; K49-N53 VanDerWaalsContact O-CB 3.29Å; K49-N53 WeakPolarHBondContact O-CB 3.3Å; K49-N53 PolarHBondContact O-N 3.48Å
50S80.9Confident72.5Confident68 Ų6894.1 Ų94.148%0.47658%0.579SS.*Hα-helixtrans-63.8-41.5172.3-172.20000111.3D46 I47 L48 T54D46-S50 PolarHBondContact O-N 3.43Å; I47-S50 PolarHBondContact O-N 3.42Å; L48-S50 PolarHBondContact O-N 3.37Å; S50-T54 WeakPolarHBondContact O-CB 3.42Å; S50-T54 PolarHBondContact O-N 2.87Å; S50-T54 PolarHBondContact O-OG1 3.19Å
51L82.6Confident74.1Confident111 Ų11198.5 Ų98.558%0.58158%0.579SS**Hα-helixtrans-66-45.7174.2-146.984000112I47 L48 K49 N53 T54 V55I47-L51 WeakPolarHBondContact O-CB 3.15Å; I47-L51 PolarHBondContact O-N 3.46Å; L48-L51 CarbonylContact O-C 3.59Å; L48-L51 WeakPolarHBondContact O-CB 3.34Å; L48-L51 PolarHBondContact O-N 3.39Å; K49-L51 VanDerWaalsContact C-N 3.34Å; L51-N53 VanDerWaalsContact C-N 3.35Å; L51-N53 PolarHBondContact O-N 3.41Å; L51-T54 WeakPolarHBondContact O-CB 3.45Å; L51-T54 PolarHBondContact O-N 2.78Å; L51-V55 WeakPolarHBondContact O-CB 3.48Å; L51-V55 VanDerWaalsContact O-CG2 3.31Å; L51-V55 WeakPolarHBondContact O-CG2 3.45Å; L51-V55 PolarHBondContact O-N 3.2Å
52E84.2Confident74.9Confident116 Ų11697.5 Ų97.554%0.54258%0.577SS.*Hα-helixtrans-58.9-43.9176.3-76.1170.3178.400111.5L48 K49 V55 T56L48-E52 WeakPolarHBondContact O-CB 3.44Å; L48-E52 VanDerWaalsContact O-CG 3.3Å; L48-E52 WeakPolarHBondContact O-CG 3.44Å; L48-E52 PolarHBondContact O-N 3.34Å; K49-E52 PolarHBondContact O-N 2.84Å; E52-V55 PolarHBondContact O-N 3.36Å; E52-T56 WeakPolarHBondContact O-CB 3.27Å; E52-T56 PolarHBondContact O-N 3.2Å; E52-T56 PolarHBondContact O-OG1 2.89Å
53N82.9Confident75.9Confident107 Ų10794.4 Ų94.457%0.57257%0.566SS**Hα-helixtrans-69.2-38.6177.6-166.19.7000111.4K49 L51 T56 T57K49-N53 VanDerWaalsContact O-CB 3.29Å; K49-N53 WeakPolarHBondContact O-CB 3.3Å; K49-N53 PolarHBondContact O-N 3.48Å; L51-N53 VanDerWaalsContact C-N 3.35Å; L51-N53 PolarHBondContact O-N 3.41Å; N53-T56 PolarHBondContact O-N 2.9Å; N53-T57 WeakPolarHBondContact O-CB 3.48Å; N53-T57 PolarHBondContact O-N 3.39Å; N53-T57 PolarHBondContact O-OG1 3.42Å
54T90.4Very high76.6Confident88 Ų8897.4 Ų97.454%0.5457%0.567SS.*Hα-helixtrans-62.1-46.5173.7-59.90000111.4S50 L51 T57 A58S50-T54 WeakPolarHBondContact O-CB 3.42Å; S50-T54 PolarHBondContact O-N 2.87Å; S50-T54 PolarHBondContact O-OG1 3.19Å; L51-T54 WeakPolarHBondContact O-CB 3.45Å; L51-T54 PolarHBondContact O-N 2.78Å; T54-T57 PolarHBondContact O-N 2.89Å; T54-A58 VanDerWaalsContact O-CB 3.31Å; T54-A58 WeakPolarHBondContact O-CB 3.26Å; T54-A58 PolarHBondContact O-N 3.21Å
55V88.8Confident76.9Confident75 Ų7594.9 Ų94.946%0.45554%0.541SS..Hα-helixtrans-66.2-44.7177.4168.40000110.9L51 E52 T57 A58 I59L51-V55 WeakPolarHBondContact O-CB 3.48Å; L51-V55 VanDerWaalsContact O-CG2 3.31Å; L51-V55 WeakPolarHBondContact O-CG2 3.45Å; L51-V55 PolarHBondContact O-N 3.2Å; E52-V55 PolarHBondContact O-N 3.36Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 3.37Å; V55-A58 PolarHBondContact O-N 3.5Å; V55-I59 HydrophobicContact CG1-CD1 3.66Å; V55-I59 HydrophobicContact CG1-CG1 4.39Å; V55-I59 WeakPolarHBondContact O-CB 3.33Å; V55-I59 VanDerWaalsContact O-CG1 3.25Å; V55-I59 WeakPolarHBondContact O-CG1 3.46Å; V55-I59 PolarHBondContact O-N 3.01Å
56T83.8Confident76.7Confident73 Ų7396.5 Ų96.545%0.44855%0.549SS..Hα-helixtrans-64.2-38.4177.9-58.20000111.5E52 N53 N60E52-T56 WeakPolarHBondContact O-CB 3.27Å; E52-T56 PolarHBondContact O-N 3.2Å; E52-T56 PolarHBondContact O-OG1 2.89Å; N53-T56 PolarHBondContact O-N 2.9Å; T56-N60 WeakPolarHBondContact O-CB 3.39Å; T56-N60 PolarHBondContact O-N 3.42Å; T56-N60 PolarHBondContact O-ND2 3.02Å
57T79.8Confident75.8Confident65 Ų6598 Ų9840%0.39956%0.563SS.*Hα-helixtrans-68.7-40.5174.5-620000111.5N53 T54 V55 N60 K61N53-T57 WeakPolarHBondContact O-CB 3.48Å; N53-T57 PolarHBondContact O-N 3.39Å; N53-T57 PolarHBondContact O-OG1 3.42Å; T54-T57 PolarHBondContact O-N 2.89Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 3.37Å; T57-N60 PolarHBondContact O-N 2.8Å; T57-K61 WeakPolarHBondContact O-CB 3.39Å; T57-K61 WeakPolarHBondContact O-CG 3.3Å; T57-K61 PolarHBondContact O-N 3.25Å
58A83.9Confident74.8Confident58 Ų5896 Ų9648%0.47956%0.562SS.*Hα-helixtrans-65.5-41.2175.400000112.1T54 V55 K61 A62T54-A58 VanDerWaalsContact O-CB 3.31Å; T54-A58 WeakPolarHBondContact O-CB 3.26Å; T54-A58 PolarHBondContact O-N 3.21Å; V55-A58 PolarHBondContact O-N 3.5Å; A58-K61 PolarHBondContact O-N 2.94Å; A58-A62 WeakPolarHBondContact O-CB 3.47Å; A58-A62 PolarHBondContact O-N 3.33Å
59I80.1Confident74Confident77 Ų77100.7 Ų100.740%0.39557%0.571SS.*Hα-helixtrans-64-47.6174.9-71.1168.1000110.4V55 K61 A62 Q63V55-I59 HydrophobicContact CG1-CD1 3.66Å; V55-I59 HydrophobicContact CG1-CG1 4.39Å; V55-I59 WeakPolarHBondContact O-CB 3.33Å; V55-I59 VanDerWaalsContact O-CG1 3.25Å; V55-I59 WeakPolarHBondContact O-CG1 3.46Å; V55-I59 PolarHBondContact O-N 3.01Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.48Å; I59-A62 CarbonylContact O-C 3.47Å; I59-A62 PolarHBondContact O-N 2.94Å; I59-Q63 HydrophobicContact CG2-CG 4.27Å; I59-Q63 WeakPolarHBondContact O-CB 3.43Å; I59-Q63 WeakPolarHBondContact O-CG 3.47Å; I59-Q63 PolarHBondContact O-N 2.7Å
60N77Confident72.5Confident77 Ų7799.4 Ų99.441%0.41258%0.579SS.*Hα-helixtrans-62-38.7176-86.2-82.4000112.4T56 T57 A62 Q63 N64T56-N60 WeakPolarHBondContact O-CB 3.39Å; T56-N60 PolarHBondContact O-N 3.42Å; T56-N60 PolarHBondContact O-ND2 3.02Å; T57-N60 PolarHBondContact O-N 2.8Å; N60-A62 VanDerWaalsContact C-N 3.32Å; N60-A62 PolarHBondContact O-N 2.81Å; N60-Q63 PolarHBondContact O-N 3.46Å; N60-N64 WeakPolarHBondContact O-CB 3.38Å; N60-N64 PolarHBondContact O-N 2.74Å; N60-N64 PolarHBondContact OD1-ND2 3.47Å
61K81Confident70.8Confident158 Ų158100.3 Ų100.369%0.68759%0.591SS**Hα-helixtrans-66.2-31.2172.3-78.5-175.7175.3-178.40113T57 A58 I59 G65T57-K61 WeakPolarHBondContact O-CB 3.39Å; T57-K61 WeakPolarHBondContact O-CG 3.3Å; T57-K61 PolarHBondContact O-N 3.25Å; A58-K61 PolarHBondContact O-N 2.94Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.48Å; K61-G65 VanDerWaalsContact O-CA 3.23Å; K61-G65 WeakPolarHBondContact O-CA 3.15Å; K61-G65 PolarHBondContact O-N 2.9Å
62A70.6Confident68.8Low86 Ų86103.4 Ų103.471%0.71160%0.596SS**Hα-helixtrans-80.7-25.3176.800000113.8A58 I59 N60A58-A62 WeakPolarHBondContact O-CB 3.47Å; A58-A62 PolarHBondContact O-N 3.33Å; I59-A62 CarbonylContact O-C 3.47Å; I59-A62 PolarHBondContact O-N 2.94Å; N60-A62 VanDerWaalsContact C-N 3.32Å; N60-A62 PolarHBondContact O-N 2.81Å
63Q72.8Confident67.3Low141 Ų141103.1 Ų103.166%0.65960%0.604SS**Hα-helixtrans-95.4-42-178.4-71176.4-22.200113.1I59 N60I59-Q63 HydrophobicContact CG2-CG 4.27Å; I59-Q63 WeakPolarHBondContact O-CB 3.43Å; I59-Q63 WeakPolarHBondContact O-CG 3.47Å; I59-Q63 PolarHBondContact O-N 2.7Å; N60-Q63 PolarHBondContact O-N 3.46Å
64N67.6Low66Low126 Ų126103 Ų10367%0.67461%0.612SS**THydrogen-bonded Turntrans-112.1-11.7-174.1-59.4-40.1000113.1N60 A66N60-N64 WeakPolarHBondContact O-CB 3.38Å; N60-N64 PolarHBondContact O-N 2.74Å; N60-N64 PolarHBondContact OD1-ND2 3.47Å; N64-A66 PolarHBondContact O-N 3.15Å
65G60.7Low64.2Low42 Ų42104.3 Ų104.343%0.43361%0.614SS.*SBendtrans-77.8104.9174.300000111.1K61K61-G65 VanDerWaalsContact O-CA 3.23Å; K61-G65 WeakPolarHBondContact O-CA 3.15Å; K61-G65 PolarHBondContact O-N 2.9Å
66A54.4Low62.4Low89 Ų89109.4 Ų109.474%0.73663%0.633SS**  trans-56.6132.3174.100000110.6N64 S68N64-A66 PolarHBondContact O-N 3.15Å; A66-S68 PolarHBondContact O-N 3.18Å
67P50.5Low60.9Low108 Ų108110.6 Ų110.670%0.70165%0.65SS**  trans-73.591.9-17629.7-35000110.4W69P67-W69 PolarHBondContact O-N 3.28Å
68S50.1Low59.4Low100 Ų100110.7 Ų110.770%0.69966%0.657SS**  trans-71.787-179.8-170.50000111.8A66 S70A66-S68 PolarHBondContact O-N 3.18Å; S68-S70 VanDerWaalsContact C-N 3.27Å; S68-S70 PolarHBondContact OG-OG 3.26Å
69W53.1Low57.8Low214 Ų214117 Ų11781%0.81167%0.67SS**  trans-88.18.2166.6-70.484.8000112.3P67 A71P67-W69 PolarHBondContact O-N 3.28Å; W69-A71 PolarHBondContact O-N 3.46Å
70S47Very low56.5Low108 Ų108122.5 Ų122.576%0.75569%0.694SS**THydrogen-bonded Turntrans-78.936.7-174.167.30000114.4S68S68-S70 VanDerWaalsContact C-N 3.27Å; S68-S70 PolarHBondContact OG-OG 3.26Å
71A45Very low54.9Low88 Ų88124.9 Ų124.973%0.72771%0.706SS**THydrogen-bonded Turntrans-109.2-0.7170.600000112.8W69W69-A71 PolarHBondContact O-N 3.46Å
72Y41.3Very low53Low176 Ų176123.5 Ų123.569%0.6972%0.717SS**  trans-115.2101.8176.1-90.3-83.4000111.8I75Y72-I75 HydrophobicContact CG-CD1 4.31Å
73P51.8Low51.5Low109 Ų109128.1 Ų128.171%0.70872%0.724SS**THydrogen-bonded Turntrans-65148.8158.528.8-32.6000110.2
74S56.5Low49.8Very low105 Ų105125.2 Ų125.273%0.73473%0.732SS**THydrogen-bonded Turntrans90-0.6168.979.70000121.9H76S74-H76 PolarHBondContact O-N 3.42Å
75I51.6Low48.3Very low115 Ų115125.6 Ų125.659%0.5974%0.739SS**THydrogen-bonded Turntrans-78.530.3172.8-32.2-176.6000113.5Y72Y72-I75 HydrophobicContact CG-CD1 4.31Å
76H51Low47.2Very low182 Ų182132.7 Ų132.784%0.84376%0.758SS**THydrogen-bonded Turntrans-99.4-8.5171.1-78.3-71.5000113.5S74 A78S74-H76 PolarHBondContact O-N 3.42Å; H76-A78 VanDerWaalsContact C-N 3.33Å; H76-A78 PolarHBondContact O-N 3.01Å
77A53.7Low46.9Very low98 Ų98134.1 Ų134.181%0.8176%0.759SS**THydrogen-bonded Turntrans-79.1-8.5-17800000114.9
78A47.6Very low46.2Very low67 Ų67135 Ų13555%0.55477%0.765SS**THydrogen-bonded Turntrans-100.3-4.6-166.900000115.7H76H76-A78 VanDerWaalsContact C-N 3.33Å; H76-A78 PolarHBondContact O-N 3.01Å
79Y50.9Low45.4Very low191 Ų191139.2 Ų139.275%0.74978%0.776SS**  trans-122.742.5-174.7-75.1-72.3000113.7L81Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 HydrophobicContact CD1-CD1 4.13Å; Y79-L81 HydrophobicContact CD1-CG 4.48Å; Y79-L81 PolarHBondContact O-N 3.46Å
80Q53.2Low44.7Very low192 Ų192133.9 Ų133.990%0.89778%0.777SS**  trans-94.571.3153.9-75.5-177-1100108.8
81L42.1Very low44.2Very low127 Ų127137.7 Ų137.767%0.66579%0.785SS**  trans-76.4124169.2-66.9174.1000108.7Y79 E83Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 HydrophobicContact CD1-CD1 4.13Å; Y79-L81 HydrophobicContact CD1-CG 4.48Å; Y79-L81 PolarHBondContact O-N 3.46Å; L81-E83 PolarHBondContact O-N 3.44Å
82S41.9Very low43.5Very low130 Ų130136.8 Ų136.891%0.90979%0.785SS**  trans-80.796177.9-630000111.2
83E38.1Very low43.1Very low183 Ų183134 Ų13486%0.85579%0.791SS**  trans-120.5141.3166.7-63.1-172.8176.500109.7L81L81-E83 PolarHBondContact O-N 3.44Å
84G37.3Very low42.3Very low80 Ų80137.4 Ų137.483%0.82580%0.797SS**  trans131.781.8174.200000115.7
85T36.6Very low41.3Very low134 Ų134139 Ų13982%0.82280%0.797SS**  trans-66.1133.3178.6-39.30000114.1
86K38.6Very low40.6Very low191 Ų191141.9 Ų141.983%0.8381%0.812SS**  trans145.7155.8141.2-80.7169.4-176.1179.40113.1
87P46.6Very low39.9Very low118 Ų118141.1 Ų141.177%0.76681%0.809SS**PPolyproline II helixtrans-98.9150.2-164.737.2-34.8000115
88P36Very low39.1Very low126 Ų126144.9 Ų144.982%0.81881%0.813SS**PPolyproline II helixtrans-90.1149.1161.435.2-31.1000112
89M33Very low38.6Very low189 Ų189151.2 Ų151.293%0.93182%0.823SS**PPolyproline II helixtrans-83.9162.8173.7-65.4170.767.400111.6
90A39.8Very low37.9Very low102 Ų102148.2 Ų148.284%0.84383%0.827SS**PPolyproline II helixtrans-71142.1-179.500000113.2
91M35Very low37.3Very low188 Ų188145 Ų14593%0.92682%0.816SS**  trans-162.4147.4164-116.2-59-148.400112.2
92G30.3Very low37.1Very low69 Ų69147.3 Ų147.371%0.71183%0.828SS**  trans69.696.6144.300000119.8
93S34.3Very low36.9Very low118 Ų118145.2 Ų145.283%0.82582%0.819SS**  trans-56.3151.5157.4-43.10000112.9
94Q35Very low36.6Very low180 Ų180143.7 Ų143.784%0.84182%0.816SS**  -174.1163119.6-97.3-59.72.700111.7
95I34.1Very low36.6Very low140 Ų140149.2 Ų149.272%0.71882%0.818SS**  trans-106.3140.6-174.8-64.7162.3000111
96L37.2Very low36.9Very low174 Ų174150.8 Ų150.891%0.91182%0.82SS**  trans-157143.8144.7-110.5165.6000110.5
97Q36.9Very low37.2Very low167 Ų167152.6 Ų152.678%0.7882%0.822SS**  trans-112.3142.1-174.5-65.5-170.70.800112.3
98I37.2Very low37Very low176 Ų176152.9 Ų152.990%0.90382%0.824SS**  trans-128.7140.2159-59-178.6000108.1
99R36.4Very low37.1Very low200 Ų200154.8 Ų154.876%0.75583%0.825SS**  trans-123.8122.5-159.7176.5-164.8-160.8161.86.1112
100P37.2Very low37.4Very low129 Ų129149.9 Ų149.984%0.83882%0.815SS**  trans-86.1133.7151.9-8.527.3000109.6
101N39.1Very low37.5Very low124 Ų124151.3 Ų151.366%0.66382%0.815SS**  trans-118.8116.7172.9179.411.6000109.1
102L38.6Very low37.4Very low175 Ų175152 Ų15292%0.91681%0.813SS**  trans-149.8137161.7-108.1165.6000108.3
103A38.7Very low37.4Very low87 Ų87159 Ų15972%0.71982%0.818SS**  trans-105.1131.2-166.400000112.5
104N30.7Very low37.4Very low150 Ų150162.1 Ų162.180%0.80282%0.817SS**  trans-145.3139147.2-154.5-23.9000109.4
105K37.7Very low37.2Very low197 Ų197157.3 Ų157.386%0.85782%0.815SS**  trans-12377.7-166.7-83.3-84.1-170.4168.60110.9
106L42.3Very low37.2Very low166 Ų166159 Ų15987%0.86982%0.822SS**  trans-127.6126.7162.5-67.5175.4000109.3
107R45.4Very low37.4Very low229 Ų229156.2 Ų156.286%0.86482%0.815SS**  trans-137.4134.6168.4-174.3-169.7-73.5-176.2-3.3107.9
108P42.7Very low37.3Very low124 Ų124155.9 Ų155.981%0.80582%0.818SS**  trans-62.6153176.8-22.533.8000113.2
109I37.7Very low36.9Very low167 Ų167151.3 Ų151.386%0.85681%0.813SS**  trans-121.3131.3167.8-61.6177.7000107.4
110A39.4Very low37.2Very low85 Ų85147.8 Ų147.870%0.70282%0.816SS**  trans-103143.1178.500000111.1
111P42.2Very low37.3Very low132 Ų132147.8 Ų147.886%0.85781%0.814SS**  trans-71142.8171.1-14.229.6000111.7
112K33Very low37Very low203 Ų203147.7 Ų147.788%0.88382%0.82SS**  trans-116.6151.8166.2-79.5-173176.8-179.80110.3
113W29Very low36.6Very low215 Ų215145.7 Ų145.781%0.81482%0.815SS**  trans-90.6155.5179.264.9-84.4000112.5
114K35.1Very low36.2Very low185 Ų185146.7 Ų146.780%0.80482%0.817SS**  trans148.9139.1164.9-86.2158.4-174.7-166.30107.7
115G31.1Very low36.2Very low78 Ų78146.6 Ų146.680%0.80482%0.816SS**  cis-161.8-178.9-3.100000111.1
116M33Very low35.8Very low176 Ų176141.2 Ų141.287%0.86781%0.808SS**  trans-85.7170-172.4-14697.177.100113.5
117P42.2Very low35.2Very low115 Ų115140.8 Ų140.875%0.74781%0.806SS**  -149.2140.780.536-15.6000119.2
118L35.1Very low34.3Very low161 Ų161138.7 Ų138.784%0.84380%0.799SS**  trans5891.6135.8-56.3176.8000124.2
119G28.6Very low33.7Very low79 Ų79137.4 Ų137.481%0.81479%0.789SS**  trans61.4-179.8130.400000122.2
120P41.7Very low33.4Very low126 Ų126137.6 Ų137.682%0.81879%0.786SS**  cis-115.7-176.7-12.841.7-29.5000113.6
121V39.2Very low33.2Very low129 Ų129140.4 Ų140.478%0.78279%0.794SS**  trans-93.7144.9176.6172.90000111.9
122P34.8Very low32.7Very low122 Ų122142 Ų14279%0.79279%0.788SS**  trans-119.5146.2147.936.3-27.8000113.3
123T30.1Very low32.6Very low134 Ų134141.3 Ų141.382%0.82279%0.785SS**  trans-96.7135.7177.5-59.10000111.3
124S30Very low32.5Very low108 Ų108137.9 Ų137.976%0.75578%0.778SS**  trans-180168.4144.552.70000113.9
125L30.8Very low32.2Very low148 Ų148134.7 Ų134.778%0.77577%0.774SS**  trans-1.9138.3171.8-74.972.1000119.5
126A28.3Very low32Very low84 Ų84139.8 Ų139.869%0.69478%0.777SS**  cis79.2145.443.800000115.5
127L29.8Very low31.8Very low156 Ų156139.2 Ų139.282%0.81778%0.777SS**  trans70.1162.6176.2-59.1164.8000116.7
128Y26.3Very low31.5Very low185 Ų185141.3 Ų141.373%0.72578%0.775SS**  cis-169.7114.2-39.2-169.8-112000111.4
129T31.1Very low31.3Very low98 Ų98139.6 Ų139.660%0.60177%0.766SS**  trans59.8-174.4161.5650000118.7
130Q30.2Very low31.4Very low170 Ų170143.5 Ų143.579%0.79476%0.764SS**  trans72.5103.5169.7-45.4-167.98500115.2
131V35.2Very low31Very low144 Ų144143 Ų14387%0.87376%0.758SS**  65.6103.561.4-174.80000113.5
132K32Very low30.7Very low166 Ų166143.6 Ų143.672%0.72276%0.762SS**  trans-139.5156.9143.3-164.2163.1-168.7-90.60109.6E134K132-E134 IonicContact NZ-OE1 3.89Å; K132-E134 PolarHBondContact NZ-OE1 2.92Å; K132-E134 IonicContact NZ-OE2 2.73Å; K132-E134 PolarHBondContact NZ-OE2 3.07Å
133K31Very low30.5Very low189 Ų189147.4 Ų147.482%0.82277%0.766SS**  trans-141.9125.1-166.7170.7-162.9175.3-169.50109.1
134E27.5Very low30.4Very low143 Ų143150 Ų15067%0.66877%0.768SS**  trans-173.8146.9168.3-88.2126.5-167.800104.8K132K132-E134 IonicContact NZ-OE1 3.89Å; K132-E134 PolarHBondContact NZ-OE1 2.92Å; K132-E134 IonicContact NZ-OE2 2.73Å; K132-E134 PolarHBondContact NZ-OE2 3.07Å
135T28.3Very low30.4Very low117 Ų117150.2 Ų150.272%0.71877%0.769SS**  cis-146.7134-510.90000106.2
136E26.8Very low30.1Very low186 Ų186146.4 Ų146.487%0.86977%0.765SS**  63.8100.395.3-166.8176.7170.800115
137D29.6Very low30.5Very low163 Ų163151.7 Ų151.787%0.87277%0.772SS**  -151.6-178.7129.1-157.3-0.1000109
138K35Very low30.3Very low159 Ų159152.4 Ų152.469%0.69177%0.772SS**  trans-135.8146.5-136.7-179.8177.2176.9-65.60115.5
139D30.6Very low30.5Very low125 Ų125148.6 Ų148.667%0.66877%0.772SS**  trans61.6161.5164.8-77.8-39.7000118.3
140E31.7Very low31Very low162 Ų162149.5 Ų149.576%0.75778%0.779SS**  cis-142.9155.57.3-143.1-165.2133.300113.2
141V32.1Very low30.9Very low115 Ų115150.1 Ų150.170%0.69778%0.782SS**  trans35.6112.1147.1164.80000120.9
142V32.8Very low30.6Very low142 Ų142151.1 Ų151.186%0.86178%0.777SS**  -165.7139101.4153.70000108.5
143K30.5Very low30.4Very low202 Ų202152.1 Ų152.188%0.87878%0.784SS**  trans-153.5118.7-173.8-169.4-175.1-172.7-175.20112.5
144Q29.5Very low30.3Very low187 Ų187147.1 Ų147.187%0.87478%0.778SS**  trans-168.1154.2154.8-110-168.514.800110.1
145C28.6Very low30.2Very low114 Ų114146.7 Ų146.777%0.7779%0.786SS**  cis-144.7153.7-5.3-166.20000110.9
146G25.4Very low30.1Very low67 Ų67145.9 Ų145.969%0.69179%0.785SS**  trans-160.591173.800000112.7
147K35.9Very low30.1Very low196 Ų196146.3 Ų146.385%0.85278%0.784SS**  trans58.3132.5162.3-61.4-173.4174.1-173.90120.5
148E25.8Very low30Very low171 Ų171143.7 Ų143.780%0.79978%0.778SS**  120109.2126.8-156.8158.4145.800119.8
149S30.3Very low29.8Very low104 Ų104144.3 Ų144.373%0.72778%0.784SS**  trans73.6172.9148.479.40000119.3
150P42.5Very low30.5Very low117 Ų117143.5 Ų143.576%0.7679%0.785SS**  -137.7172.8-78.241-24.2000115
151H27.7Very low30.6Very low184 Ų184144.8 Ų144.885%0.85279%0.791SS**  trans-155.6159.8152.4-149.9-87.6000112.5
152E29.1Very low30.4Very low164 Ų164142.5 Ų142.577%0.76679%0.791SS**  trans-92.1152.7177.9-51.4-175.3145.100112.6
153E28Very low30.4Very low188 Ų188144.8 Ų144.888%0.87979%0.792SS**  -165.7139.1110.7-106.7-169.1129.300114.4
154A28.6Very low30.5Very low84 Ų84138.8 Ų138.869%0.69478%0.776SS**  trans21.1119.7156.700000122.9
155T26.6Very low30.6Very low134 Ų134138.9 Ų138.982%0.82277%0.774SS**  160.4136.293.1-56.20000113.9
156S26.1Very low30.6Very low100 Ų100138.2 Ų138.270%0.69977%0.77SS**  trans116115.3144.4-146.40000120.6
157F26.4Very low30.9Very low195 Ų195143.4 Ų143.486%0.85577%0.774SS**  trans72121145.1-97.9-112.3000124.1
158S27.3Very low30.7Very low107 Ų107140.7 Ų140.775%0.74877%0.767SS**  trans88.7111.6143.9-62.90000122.9
159Q31.5Very low31Very low172 Ų172140.5 Ų140.580%0.80477%0.766SS**  trans-72.7-178.4153.2-108.9-176.3-51.900112.5
160P44.8Very low32.1Very low108 Ų108140.3 Ų140.370%0.70176%0.762SS**  cis-135.1-172.7-9.829.9-6.3000116.1
161E32.7Very low32.1Very low190 Ų190140.3 Ų140.389%0.88876%0.762SS**  trans-52.2173.5179.4-50.5174113.300120.1
162G29.3Very low32.3Very low67 Ų67136 Ų13669%0.69175%0.753SS**  trans178.7101.4158.100000116.4
163E31.5Very low32.2Very low189 Ų189135.6 Ų135.688%0.88375%0.751SS**  trans50.6153.7137.7-65.7-171.5148.600122.9
164S32.8Very low32.5Very low77 Ų77131.1 Ų131.154%0.53874%0.741SS.*  cis-174.1164.6-17.257.20000112.3
165F31.4Very low32.7Very low189 Ų189137.4 Ų137.483%0.82975%0.747SS**  trans61162.1157.6-62-51.4000119.3
166S28.8Very low32.8Very low100 Ų100141 Ų14170%0.69975%0.751SS**  cis-172.1170.4-12-101.70000107.9
167K32.4Very low33.2Very low176 Ų176140.8 Ų140.877%0.76576%0.755SS**  cis-177.2164.6-22.9-171.2-160172-167.60107.4
168I31.4Very low33.3Very low138 Ų138140.2 Ų140.271%0.70876%0.755SS**  trans80.9125168.6-46179.4000113.1
169E32.8Very low33.8Very low167 Ų167140.7 Ų140.778%0.7876%0.756SS**  cis100.1161.628.4-140.6-154.4126.600113.2
170P51.4Low33.6Very low100 Ų100137.8 Ų137.865%0.64975%0.753SS**  -114.5-152.7-88.944.3-31000112.1
171P43.4Very low33.3Very low117 Ų117137.8 Ų137.876%0.7675%0.753SS**  cis-125-151.4-9.636.7-12.7000111.7
172S31.5Very low33.1Very low94 Ų94136.6 Ų136.666%0.65775%0.752SS**  cis-159.8-175.96.1-149.90000114.6
173E28.5Very low33.1Very low155 Ų155141.4 Ų141.472%0.72475%0.754SS**  trans-6.9151.8153.2-75.3-178.2126.700121.9
174S33.3Very low32.9Very low95 Ų95139 Ų13966%0.66474%0.743SS**  cis-159.7147.79.938.20000116.7
175R31.7Very low32.6Very low215 Ų215143.8 Ų143.881%0.81176%0.757SS**  trans55.8118142.6-61171.2-161.7-156.46.2121.9
176K30Very low32.3Very low210 Ų210141.2 Ų141.291%0.91375%0.747SS**  trans22.8152.4134.1-65.6-173175.9-170.80120.5
177A33.5Very low32.3Very low95 Ų95144.5 Ų144.579%0.78575%0.749SS**  cis162.3169.2-13.600000106.3
178E29.1Very low32.3Very low183 Ų183142.1 Ų142.186%0.85575%0.751SS**  trans-46.3165.2175.8-89-170.4100.800117.6
179P38Very low32.1Very low117 Ų117144.4 Ų144.476%0.7676%0.759SS**  cis-149.9-170.436.942.4-20.1000119.1
180C27.5Very low31.8Very low111 Ų111145.1 Ų145.175%0.7576%0.76SS**  trans-74.9-179.4160-67.50000112.3
181P38.5Very low30.6Very low109 Ų109150 Ų15071%0.70877%0.774SS**  cis-148.81741445.3-25.2000120.6
182L29Very low30Very low165 Ų165152 Ų15286%0.86477%0.77SS**  trans66.5156.6142-80.2166.8000125.3
183K27.6Very low30.4Very low167 Ų167153.1 Ų153.173%0.72678%0.776SS**  trans77.8148.3174.1-81.9167.7155.2-94.30116.7
184E27.3Very low30.4Very low140 Ų140150.9 Ų150.965%0.65477%0.765SS**  cis-156.9-178.91-142.8147.317100113.5
185E26.8Very low30.4Very low177 Ų177152 Ų15283%0.82777%0.77SS**  trans61.1-174.5160.6-68.8-171.6116.400120.5
186E26.7Very low30.2Very low134 Ų134149.2 Ų149.263%0.62677%0.77SS**  -148.1157.3-84.8-147-147.9100.700111.4
187K28Very low30.5Very low170 Ų170147 Ų14774%0.73976%0.763SS**  trans26.5132.9170.4-78.9-176.1-16790.20122.1
188P32.1Very low30.5Very low126 Ų126148.3 Ų148.382%0.81876%0.764SS**  trans-84.3148170.235.2-34.8000114.8
189Q27.4Very low30.4Very low186 Ų186145.5 Ų145.587%0.86976%0.759SS**  trans-146156.3163.6-77.2-163.622.700108.9
190K27.4Very low29.8Very low182 Ų182144.9 Ų144.979%0.79176%0.757SS**  cis-174.5102.7-20.8170.7-160.7172.4-171.70107.8
191E26.1Very low29.8Very low202 Ų202144.6 Ų144.694%0.94476%0.757SS**  trans-135.3131.9164.2-73.2-160.4135.900113.1
192K29.7Very low29.4Very low159 Ų159146.7 Ų146.769%0.69176%0.761SS**  trans-172.8151.4-179.7-130.3-153.4176.7-1690103.1E194K192-E194 HydrophobicContact CD-CG 4.27Å; K192-E194 WeakPolarHBondContact CE-OE1 3.31Å; K192-E194 WeakPolarHBondContact CE-OE2 3.42Å; K192-E194 IonicContact NZ-OE1 2.64Å; K192-E194 PolarHBondContact NZ-OE1 3.29Å; K192-E194 IonicContact NZ-OE2 2.6Å; K192-E194 PolarHBondContact NZ-OE2 3.09Å
193P40Very low29.2Very low118 Ų118144.1 Ų144.177%0.76675%0.753SS**  cis-129.1-177.132.426.6-3.1000113.8
194E28.8Very low29.3Very low107 Ų107144 Ų14450%0.576%0.759SS.*  cis-163.1133.3-30.2-88-95.956.100105.8K192K192-E194 HydrophobicContact CD-CG 4.27Å; K192-E194 WeakPolarHBondContact CE-OE1 3.31Å; K192-E194 WeakPolarHBondContact CE-OE2 3.42Å; K192-E194 IonicContact NZ-OE1 2.64Å; K192-E194 PolarHBondContact NZ-OE1 3.29Å; K192-E194 IonicContact NZ-OE2 2.6Å; K192-E194 PolarHBondContact NZ-OE2 3.09Å
195P32.8Very low29.4Very low120 Ų120141.2 Ų141.278%0.77977%0.769SS**  trans-75.6138.9157.232.6-30.6000109.1
196L28.8Very low29.6Very low155 Ų155139.3 Ų139.381%0.81277%0.773SS**  trans-118.1118.6177.2-72.9177.1000111.9
197E36.1Very low30Very low163 Ų163137.5 Ų137.576%0.76278%0.782SS**  trans-60.6171.4154.3-65.7-79.1114.200110.3
198P33.6Very low30.5Very low124 Ų124135.1 Ų135.181%0.80578%0.784SS**  -135137.4112.836.2-27.8000115.1
199V26.6Very low30.5Very low124 Ų124133.1 Ų133.175%0.75278%0.777SS**  trans-67.6148.9168.3-1440000110.7
200S26.2Very low30.7Very low103 Ų103131.7 Ų131.772%0.7278%0.776SS**  161.3139.4110.657.20000116.6
201S26.5Very low31Very low105 Ų105131.7 Ų131.773%0.73478%0.778SS**  trans75.8126.5134.8-69.60000124
202L29.4Very low31.2Very low154 Ų154127.7 Ų127.781%0.80677%0.768SS**  trans97.3126.7139.2-69.6159.5000122.7
203T24.5Very low31.7Very low111 Ų111125.9 Ų125.968%0.68177%0.772SS**  trans70.5118.1145.343.80000123.5
204N31.1Very low31.4Very low163 Ų163124.8 Ų124.887%0.87277%0.773SS**  trans43.9120.4132.8-57.2-2.1000121.4
205G29.1Very low32.3Very low82 Ų82127.2 Ų127.285%0.84579%0.789SS**  trans-177.6140.2161.500000114.2
206C31Very low33Very low137 Ų137126.8 Ų126.893%0.92679%0.786SS**  trans-88.9162.4-172.3-87.70000116.5
207A34.3Very low33.9Very low97 Ų97125.1 Ų125.180%0.80279%0.787SS**  trans85138.6149.100000120
208P40Very low35.1Very low120 Ų120123.5 Ų123.578%0.77978%0.783SS**  trans-98.4150.5-179.937.9-34.2000114
209A30.8Very low37.1Very low83 Ų83121.5 Ų121.569%0.68677%0.765SS**  trans-113.6112.6169.900000111.1H211A209-H211 PolarHBondContact O-CE1 2.86Å; A209-H211 PolarHBondContact O-ND1 3.14Å
210N31.5Very low39.3Very low156 Ų156120 Ų12083%0.83476%0.758SS**  trans-63.4137.2-179.9-59.8-76.8000111.9
211H34.1Very low41.7Very low182 Ų182120.7 Ų120.784%0.84375%0.753SS**  trans-122.695.2170.623-77.2000110.3A209A209-H211 PolarHBondContact O-CE1 2.86Å; A209-H211 PolarHBondContact O-ND1 3.14Å
212T29.7Very low44.1Very low119 Ų119119 Ų11973%0.7374%0.741SS**  trans-86.2133.6169.7-50.30000108.9A214T212-A214 PolarHBondContact O-N 2.88Å
213P40.2Very low46.4Very low121 Ų121113.7 Ų113.779%0.78672%0.72SS**  trans-68.610517427.9-33.3000110
214A34.2Very low48.8Very low95 Ų95113.4 Ų113.479%0.78571%0.713SS**  trans-72.9130.1177.800000110.9T212T212-A214 PolarHBondContact O-N 2.88Å
215L47.8Very low50.9Low158 Ų158111.9 Ų111.983%0.82770%0.701SS**  trans-61.3145.2165.9-69.7167000109.7S217L215-S217 PolarHBondContact O-N 3.16Å
216P48Very low53.2Low111 Ų111111.2 Ų111.272%0.72168%0.683SS**  trans-64110.7177.126.2-33.5000110.3I218P216-I218 VanDerWaalsContact C-N 3.32Å; P216-I218 PolarHBondContact O-N 3.44Å
217S47.8Very low55.4Low120 Ų120108.1 Ų108.184%0.83966%0.66SS**  trans-75.379.5-179.843.90000111.4L215 N219L215-S217 PolarHBondContact O-N 3.16Å; S217-N219 PolarHBondContact O-N 2.84Å; S217-N219 VanDerWaalsContact O-N 3.14Å
218I61.3Low57.5Low129 Ų129108.4 Ų108.466%0.66265%0.647SS**  trans-61.2116.8175.6-59.7170.5000109P216 A223P216-I218 VanDerWaalsContact C-N 3.32Å; P216-I218 PolarHBondContact O-N 3.44Å; I218-A223 HydrophobicContact CG2-CB 4.31Å
219N74.4Confident58.8Low81 Ų81108.7 Ų108.743%0.43364%0.642SS.*  trans-59.9124.3176.8178-11.4000109.8S217 L221 S222 A223S217-N219 PolarHBondContact O-N 2.84Å; S217-N219 VanDerWaalsContact O-N 3.14Å; N219-L221 PolarHBondContact O-N 3.47Å; N219-L221 VanDerWaalsContact O-N 3.17Å; N219-L221 WeakPolarHBondContact OD1-CB 3.39Å; N219-L221 PolarHBondContact OD1-N 2.93Å; N219-S222 WeakPolarHBondContact O-CB 3.49Å; N219-S222 PolarHBondContact O-N 2.89Å; N219-A223 PolarHBondContact O-N 3.48Å; N219-A223 VanDerWaalsContact O-N 3.07Å
220P74.1Confident60.9Low92 Ų92110.5 Ų110.560%0.59764%0.641SS**Hα-helixtrans-60.9-27.4-177.323.8-34.4000113.1A223 L224P220-A223 PolarHBondContact O-N 2.83Å; P220-L224 WeakPolarHBondContact O-CB 3.29Å; P220-L224 WeakPolarHBondContact O-CG 3.2Å; P220-L224 PolarHBondContact O-N 3.24Å
221L76.6Confident62.3Low119 Ų119110.4 Ų110.462%0.62364%0.635SS**Hα-helixtrans-67.5-39.9173.7-62.2174.6000111.6N219 L224 Q225N219-L221 PolarHBondContact O-N 3.47Å; N219-L221 VanDerWaalsContact O-N 3.17Å; N219-L221 WeakPolarHBondContact OD1-CB 3.39Å; N219-L221 PolarHBondContact OD1-N 2.93Å; L221-L224 PolarHBondContact O-N 2.88Å; L221-Q225 WeakPolarHBondContact O-CB 3.34Å; L221-Q225 PolarHBondContact O-N 3.05Å
222S75.8Confident63.7Low68 Ų68108.5 Ų108.548%0.47663%0.63SS.*Hα-helixtrans-68.4-35.7175.8-53.80000112N219 Q225 S226N219-S222 WeakPolarHBondContact O-CB 3.49Å; N219-S222 PolarHBondContact O-N 2.89Å; S222-Q225 PolarHBondContact O-N 3.26Å; S222-S226 WeakPolarHBondContact O-CB 3.29Å; S222-S226 PolarHBondContact O-N 2.84Å
223A77.6Confident64.9Low44 Ų44105.7 Ų105.736%0.36462%0.624SS.*Hα-helixtrans-63.7-48.6172.200000111.4I218 N219 P220 Q225 S226 V227I218-A223 HydrophobicContact CG2-CB 4.31Å; N219-A223 PolarHBondContact O-N 3.48Å; N219-A223 VanDerWaalsContact O-N 3.07Å; P220-A223 PolarHBondContact O-N 2.83Å; A223-Q225 VanDerWaalsContact C-N 3.32Å; A223-Q225 PolarHBondContact O-N 2.63Å; A223-S226 WeakPolarHBondContact O-CB 3.25Å; A223-S226 PolarHBondContact O-N 2.98Å; A223-V227 WeakPolarHBondContact O-CG2 3.33Å; A223-V227 PolarHBondContact O-N 3.47Å
224L75.5Confident65.1Low105 Ų105109.5 Ų109.555%0.5563%0.629SS.*Hα-helixtrans-60.1-39.7175.5-75.2167000112.4P220 L221 V227 L228P220-L224 WeakPolarHBondContact O-CB 3.29Å; P220-L224 WeakPolarHBondContact O-CG 3.2Å; P220-L224 PolarHBondContact O-N 3.24Å; L221-L224 PolarHBondContact O-N 2.88Å; L224-V227 PolarHBondContact O-N 2.8Å; L224-L228 WeakPolarHBondContact O-CG 3.41Å; L224-L228 PolarHBondContact O-N 3.41Å
225Q74.8Confident65.1Low131 Ų131109.7 Ų109.761%0.61263%0.63SS**Hα-helixtrans-71.8-32.5179.4-163.5154.219.700112.8L221 S222 A223 N229L221-Q225 WeakPolarHBondContact O-CB 3.34Å; L221-Q225 PolarHBondContact O-N 3.05Å; S222-Q225 PolarHBondContact O-N 3.26Å; A223-Q225 VanDerWaalsContact C-N 3.32Å; A223-Q225 PolarHBondContact O-N 2.63Å; Q225-N229 PolarHBondContact O-N 2.98Å
226S76.9Confident64.5Low67 Ų67108.7 Ų108.747%0.46963%0.631SS.*Hα-helixtrans-64.3-43.2169.5-175.10000112S222 A223 N229 N230S222-S226 WeakPolarHBondContact O-CB 3.29Å; S222-S226 PolarHBondContact O-N 2.84Å; A223-S226 WeakPolarHBondContact O-CB 3.25Å; A223-S226 PolarHBondContact O-N 2.98Å; S226-N229 PolarHBondContact O-N 3.02Å; S226-N230 PolarHBondContact O-N 3.29Å; S226-N230 VanDerWaalsContact O-N 3.09Å; S226-N230 PolarHBondContact O-ND2 2.78Å
227V78.1Confident63.9Low73 Ų73112 Ų11244%0.44264%0.636SS.*Hα-helixtrans-61.8-45.3175.3167.30000111.2A223 L224 N230 H231A223-V227 WeakPolarHBondContact O-CG2 3.33Å; A223-V227 PolarHBondContact O-N 3.47Å; L224-V227 PolarHBondContact O-N 2.8Å; V227-N230 PolarHBondContact O-N 2.99Å; V227-H231 PolarHBondContact O-CD2 2.89Å; V227-H231 PolarHBondContact O-N 2.82Å; V227-H231 VanDerWaalsContact O-N 3.07Å
228L77.3Confident63.5Low102 Ų102111.1 Ų111.153%0.53463%0.628SS.*Hα-helixtrans-63.6-42177-73.2167.5000112.7L224 N230 H231 L232L224-L228 WeakPolarHBondContact O-CG 3.41Å; L224-L228 PolarHBondContact O-N 3.41Å; L228-N230 VanDerWaalsContact C-N 3.32Å; L228-N230 PolarHBondContact O-N 3.34Å; L228-H231 PolarHBondContact O-N 3.4Å; L228-L232 WeakPolarHBondContact O-CG 3.41Å; L228-L232 PolarHBondContact O-N 3.16Å
229N68.9Low62Low126 Ų126111.9 Ų111.967%0.67463%0.633SS**Hα-helixtrans-62.9-36.7175.2-90.67.2000112.7Q225 S226Q225-N229 PolarHBondContact O-N 2.98Å; S226-N229 PolarHBondContact O-N 3.02Å
230N73.6Confident60Low122 Ų122118.3 Ų118.365%0.65265%0.651SS**Hα-helixtrans-70.9-42.1178.3-84.7-92.1000112.4S226 V227 L228 L232S226-N230 PolarHBondContact O-N 3.29Å; S226-N230 VanDerWaalsContact O-N 3.09Å; S226-N230 PolarHBondContact O-ND2 2.78Å; V227-N230 PolarHBondContact O-N 2.99Å; L228-N230 VanDerWaalsContact C-N 3.32Å; L228-N230 PolarHBondContact O-N 3.34Å; N230-L232 VanDerWaalsContact C-N 3.33Å; N230-L232 PolarHBondContact O-N 2.93Å
231H62.4Low57.9Low153 Ų153118.7 Ų118.771%0.70866%0.656SS**Hα-helixtrans-80.8-6.7-174.9-65.9-50.9000115.2V227 L228V227-H231 PolarHBondContact O-CD2 2.89Å; V227-H231 PolarHBondContact O-N 2.82Å; V227-H231 VanDerWaalsContact O-N 3.07Å; L228-H231 PolarHBondContact O-N 3.4Å
232L62.5Low55.9Low143 Ų143119.3 Ų119.375%0.74967%0.667SS**THydrogen-bonded Turntrans-109.92.7179-64175.9000114.1L228 N230 K234L228-L232 WeakPolarHBondContact O-CG 3.41Å; L228-L232 PolarHBondContact O-N 3.16Å; N230-L232 VanDerWaalsContact C-N 3.33Å; N230-L232 PolarHBondContact O-N 2.93Å; L232-K234 PolarHBondContact O-N 2.87Å
233G54.5Low53.8Low59 Ų59121.5 Ų121.561%0.60868%0.683SS**  trans-73.3115.9-175.200000114.8
234K44.8Very low51.6Low201 Ų201125.3 Ų125.387%0.87471%0.705SS**  trans-143.4122.9157.3-77.4-161.4174.5-174.30111.9L232L232-K234 PolarHBondContact O-N 2.87Å
235A34.9Very low49.4Very low99 Ų99126.2 Ų126.282%0.81872%0.72SS**SBendtrans64.5134.1175.700000114.8
236T34Very low47.5Very low137 Ų137124.6 Ų124.684%0.8472%0.723SS**  cis-1391528.448.10000112.4
237E35.7Very low46.2Very low180 Ų180126.8 Ų126.884%0.84174%0.736SS**  trans-86.8174.9166.2-104-153.1145.500112.2
238P40.5Very low43.9Very low103 Ų103131.5 Ų131.567%0.66976%0.758SS**  cis-134.4178.7-2.836.1-17.1000116.5
239L30Very low41.6Very low145 Ų145131.9 Ų131.976%0.75977%0.77SS**  trans93.9128.1139.5-147.975000122.3
240R31.5Very low39.8Very low216 Ų216131 Ų13182%0.81577%0.773SS**  trans98.7155.3147.2-128.8173.6-168.381.62.7120
241S30.4Very low37.9Very low100 Ų100131.9 Ų131.970%0.69978%0.783SS**  trans-80155.9-160.4-29.30000115.1S243S241-S243 PolarHBondContact O-N 2.95Å
242P33.6Very low36.8Very low131 Ų131130.1 Ų130.185%0.85179%0.788SS**  trans-79.9104172.632.4-33.2000112
243S33Very low36.9Very low115 Ų115129 Ų12980%0.80479%0.79SS**  trans-141101.2157.7-80.20000108.7S241S241-S243 PolarHBondContact O-N 2.95Å
244C30.1Very low35.9Very low124 Ų124132.1 Ų132.184%0.83880%0.796SS**  trans-147.2111.7177.4-87.90000111.9
245S29.5Very low35.6Very low124 Ų124130.7 Ų130.787%0.86779%0.791SS**  trans-123142.5133.851.90000107.4
246S35.2Very low35.5Very low97 Ų97133.4 Ų133.468%0.67879%0.786SS**  trans-131.6-163.6-171.8-45.80000107.4
247P49.5Very low35.5Very low112 Ų112136.4 Ų136.473%0.72779%0.787SS**  cis-139.1164.8-9.139.9-23000115.9
248N29.2Very low35.4Very low172 Ų172133.7 Ų133.792%0.9279%0.788SS**  trans-159177.1143.223.250.7000111.1
249S29.3Very low35Very low110 Ų110133.8 Ų133.877%0.76979%0.791SS**  trans-135.7165.4-146.7-1710000115.5
250S30.7Very low35.3Very low107 Ų107134.4 Ų134.475%0.74880%0.795SS**  trans67.9149.4174.374.60000115.3
251T34.3Very low35.4Very low141 Ų141131.8 Ų131.887%0.86579%0.791SS**  cis-139.1-166.43646.60000114.4
252S39.4Very low35.5Very low116 Ų116132.4 Ų132.481%0.81179%0.791SS**  trans-122.4177.3-160.7740000114.3
253P64Low35.7Very low121 Ų121132.4 Ų132.479%0.78679%0.788SS**  trans-106.8175.1-147.742-40.2000117.4
254V34.2Very low35.5Very low123 Ų123134.1 Ų134.175%0.74579%0.788SS**  trans-141150.5169.9147.80000113.1
255F38.6Very low35.9Very low171 Ų171136.7 Ų136.775%0.7579%0.785SS**  trans-43.3169.2-178.9-44.2-70.7000118.2
256H33.5Very low36.6Very low157 Ų157136.2 Ų136.273%0.72778%0.779SS**  cis-146.7151.935.3-78-97000112.8
257K33.2Very low36.3Very low199 Ų199137.9 Ų137.987%0.86579%0.785SS**  37.6140.896.7-66.5-178.3177.9177.90115.5
258S33.7Very low35.5Very low123 Ų123140.2 Ų140.286%0.8679%0.79SS**  cis-146.5-173.728.352.80000115.3
259S32.6Very low35.5Very low105 Ų105137.1 Ų137.173%0.73478%0.782SS**  trans-128.2-174-173.9-1750000112
260L35.7Very low36.2Very low158 Ų158137.4 Ų137.483%0.82778%0.781SS**  trans93.7154.2171.8-57.1160.9000117.2
261H34.3Very low36.1Very low161 Ų161138.8 Ų138.875%0.74579%0.785SS**  cis-174.7177.6-39.1-140-105.1000109.7
262V32Very low35.8Very low114 Ų114137 Ų13769%0.69178%0.778SS**  trans75.4118.6164.1-173.20000114.5
263V37.6Very low35.4Very low130 Ų130137.6 Ų137.679%0.78878%0.777SS**  69.5122.871.6153.30000112.5
264D29.6Very low33.9Very low152 Ų152142.4 Ų142.481%0.81378%0.779SS**  -168.1-165.970.2-160.1-163.4000114.4
265K38.8Very low34.2Very low178 Ų178142.3 Ų142.377%0.77478%0.781SS**  trans-125.8155.4173.5-89.2177.2177.1175.50109.2
266P43.5Very low33.8Very low113 Ų113138.2 Ų138.273%0.73478%0.779SS**  -166169.564.746.2-24.1000121
267V29.4Very low33.7Very low132 Ų132135.2 Ų135.280%0.878%0.782SS**  trans74.5149.5133.4158.50000123.4
268I32.3Very low33.7Very low162 Ų162131 Ų13183%0.83178%0.777SS**  trans63.3139.9178.72.8171.5000121.8
269S29.7Very low33.7Very low107 Ų107131.5 Ų131.575%0.74877%0.774SS**  trans-116.7158.4161.7-40.90000108.9
270P42.8Very low34.1Very low116 Ų116131.4 Ų131.475%0.75378%0.78SS**  -156.4144.3104.736.2-16.6000118.6
271T28.2Very low34.1Very low136 Ų136133.7 Ų133.783%0.83478%0.778SS**  trans65.5146.9131.6-50.90000123.3
272S28.1Very low34.1Very low102 Ų102135.2 Ų135.271%0.71379%0.785SS**  trans83.4142.9166-136.80000116.4
273T30.9Very low34.1Very low130 Ų130139.4 Ų139.480%0.79879%0.79SS**  cis-144.9162.46.7-41.70000110.7
274R32.5Very low34.2Very low222 Ų222141.7 Ų141.784%0.83880%0.796SS**  trans-129.6129.4171.9173.9170.6-172.8-142.7-0.5110.5
275P40.5Very low34.4Very low121 Ų121143.6 Ų143.679%0.78680%0.798SS**  -135.7-166.7101.742.6-29.7000110.9
276A30.8Very low34.4Very low85 Ų85141.5 Ų141.570%0.70279%0.791SS**  cis-141.8-903.700000114.1
277A30.8Very low34Very low94 Ų94143.9 Ų143.978%0.77780%0.797SS**  trans-154.2171.3-16200000110.3
278S33.3Very low34.8Very low109 Ų109143.3 Ų143.376%0.76279%0.794SS**  cis-113.6144.57.244.80000111.7
279V34.5Very low35.8Very low134 Ų134142.5 Ų142.581%0.81279%0.791SS**  63.380.668.4-170.70000114.1
280A39.9Very low37.3Very low103 Ų103146 Ų14685%0.85180%0.796SS**  trans-143.5117.1138.100000107.6
281R36Very low37.7Very low206 Ų206146.5 Ų146.578%0.77780%0.799SS**  trans-105.6140170.9-61.3-177.6-173.9120.6-4.7107.9
282H34.6Very low39.5Very low193 Ų193147 Ų14789%0.89480%0.795SS**  -158.9147118.8-112-81.9000109.4
283Y32.1Very low40.9Very low203 Ų203147.8 Ų147.880%0.79679%0.792SS**  trans-85.5144.7-170.9-68.3-98.8000111.6
284L39.9Very low41.9Very low177 Ų177148.7 Ų148.793%0.92779%0.791SS**  trans-121.1153.2156.1-97.9170.6000110.2
285F34.1Very low42.6Very low192 Ų192143.4 Ų143.484%0.84278%0.783SS**  trans-80.6162.1-152.3178.1-100.6000114.9
286E39.3Very low42.6Very low135 Ų135147.1 Ų147.163%0.63179%0.787SS**  trans-49.2151.4177.6-142.388.9177.200114.2T288E286-T288 HydrophobicContact CG-CG2 3.84Å
287N34.6Very low43.6Very low162 Ų162148.6 Ų148.687%0.86679%0.792SS**  trans-146.682.1162.2-150-42.5000111D289N287-D289 PolarHBondContact O-N 3.49Å
288T46.5Very low44Very low121 Ų121153.5 Ų153.574%0.74280%0.796SS**  trans-9287.7-179.150.40000111.8E286E286-T288 HydrophobicContact CG-CG2 3.84Å
289D53Low44.3Very low144 Ų144153 Ų15377%0.7779%0.793SS**  trans-146.192155.3-163.513.8000111N287N287-D289 PolarHBondContact O-N 3.49Å
290Q60.6Low44.3Very low181 Ų181156.6 Ų156.685%0.84680%0.797SS**  trans-132.1133.6162.3-73-165.5-0.800108.7
291P51.2Low44.3Very low126 Ų126162.1 Ų162.182%0.81880%0.796SS**PPolyproline II helixtrans-70141.1-17628.2-34.8000111.9D293P291-D293 PolarHBondContact O-N 2.93Å
292I65.7Low44.3Very low146 Ų146156 Ų15675%0.74979%0.789SS**PPolyproline II helixtrans-67.2121.9-179-72174.6000111.2L294I292-L294 HydrophobicContact CG2-CD2 3.63Å; I292-L294 HydrophobicContact CG2-CG 4.1Å
293D57.6Low44.3Very low120 Ų120153.6 Ų153.664%0.64278%0.779SS**PPolyproline II helixtrans-79118.8167.3178.41.2000110.4P291 T295P291-D293 PolarHBondContact O-N 2.93Å; D293-T295 VanDerWaalsContact CG-OG1 3.29Å; D293-T295 VanDerWaalsContact OD1-CB 3.26Å; D293-T295 WeakPolarHBondContact OD1-CB 3.31Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.19Å; D293-T295 PolarHBondContact OD1-N 2.84Å; D293-T295 PolarHBondContact OD1-OG1 2.85Å; D293-T295 PolarHBondContact OD2-OG1 2.87Å
294L51.8Low44.4Very low149 Ų149148.7 Ų148.778%0.7877%0.774SS**  trans-96.99.4-178.6-65.6176.6000114.1I292 K296I292-L294 HydrophobicContact CG2-CD2 3.63Å; I292-L294 HydrophobicContact CG2-CG 4.1Å; L294-K296 PolarHBondContact O-N 3.46Å; L294-K296 VanDerWaalsContact O-N 3.09Å
295T47.3Very low44.1Very low111 Ų111145.7 Ų145.768%0.68177%0.768SS**  trans-72.31.5-172.858.60000115.8D293D293-T295 VanDerWaalsContact CG-OG1 3.29Å; D293-T295 VanDerWaalsContact OD1-CB 3.26Å; D293-T295 WeakPolarHBondContact OD1-CB 3.31Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.19Å; D293-T295 PolarHBondContact OD1-N 2.84Å; D293-T295 PolarHBondContact OD1-OG1 2.85Å; D293-T295 PolarHBondContact OD2-OG1 2.87Å
296K41.4Very low44.2Very low198 Ų198145.9 Ų145.986%0.86177%0.771SS**  trans-128.689.1-178.7-69.7-178-177.4168.40113.8L294L294-K296 PolarHBondContact O-N 3.46Å; L294-K296 VanDerWaalsContact O-N 3.09Å
297S51.5Low44Very low116 Ų116143.8 Ų143.881%0.81178%0.778SS**  trans-115.6123.7166.456.70000111.4
298K40.1Very low44Very low197 Ų197145.3 Ų145.386%0.85778%0.779SS**  trans-156.388.8164-159.6146.1-171.7169.20115
299S38.7Very low43.5Very low100 Ų100145 Ų14570%0.69978%0.782SS**  trans35.9128.2141.966.60000121.5
300K35.2Very low42.4Very low208 Ų208144 Ų14490%0.90479%0.785SS**  -153.9165.194.6-131.1178179.2-177.20112.2
301R39.3Very low41.4Very low220 Ų220142.4 Ų142.483%0.8379%0.788SS**  trans-78.2176.9177.4-52.3-170.3-172.5-177.23110.9E303R301-E303 IonicContact NH1-OE1 3.97Å
302A35.9Very low40.7Very low76 Ų76141.6 Ų141.663%0.62879%0.785SS**  cis-159.3-177.519.800000111.8
303E34.5Very low40Very low143 Ų143139.9 Ų139.967%0.66878%0.784SS**  cis-153.7163.74-155.292.6-113.100110R301R301-E303 IonicContact NH1-OE1 3.97Å
304S33.7Very low39.7Very low101 Ų101139 Ų13971%0.70678%0.784SS**  trans22.1141150.6-71.40000122.8
305S33.7Very low40Very low114 Ų114139.5 Ų139.580%0.79778%0.783SS**  cis-161.4142.81.6-91.80000111.4
306Q37.3Very low40.6Very low195 Ų195142.9 Ų142.991%0.91179%0.788SS**  trans-149.5160.6161.5-165.517610.400110.5
307A33.6Very low41.4Very low92 Ų92139.4 Ų139.476%0.7678%0.775SS**  trans77.5102.8167.900000117.5
308Q36.4Very low42Very low194 Ų194136 Ų13691%0.90775%0.753SS**  trans-85.3166.9136-73.1-173.6-5700109.6
309S34.4Very low43.3Very low113 Ų113132.5 Ų132.579%0.7974%0.743SS**  trans-48.4160.3175.6-52.10000114
310C30.3Very low44.9Very low125 Ų125131 Ų13185%0.84573%0.732SS**  cis-14314329.3-53.30000113.7
311T40.1Very low46.6Very low146 Ų146125.2 Ų125.290%0.89671%0.711SS**PPolyproline II helixtrans-98.5137.3165.549.80000110.7
312S37Very low48.1Very low109 Ų109119 Ų11976%0.76269%0.694SS**PPolyproline II helixtrans-76.6152.8172.8450000111.7
313P50Low50Low111 Ų111117.4 Ų117.472%0.72168%0.68SS**PPolyproline II helixtrans-71.1152.8178.329.7-35.3000112Q315P313-Q315 PolarHBondContact O-N 2.92Å
314P51.2Low52Low101 Ų101114.6 Ų114.666%0.65667%0.67SS**  trans-72.1100.3-175.128.9-35.1000112.4K316 H317P314-K316 PolarHBondContact O-N 3.24Å; P314-H317 PolarHBondContact O-N 2.84Å
315Q58.3Low54Low160 Ų160115.7 Ų115.775%0.74867%0.665SS**Hα-helixtrans-52.8-12.9179.3-167.2177.26.300115.5P313 H317P313-Q315 PolarHBondContact O-N 2.92Å; Q315-H317 PolarHBondContact O-N 3.12Å
316K60.6Low55.7Low181 Ų181114.8 Ų114.879%0.78766%0.655SS**Hα-helixtrans-70.3-25.4-176-61.7-171.9179.5-175.90114.4P314P314-K316 PolarHBondContact O-N 3.24Å
317H58.3Low57.3Low126 Ų126112.6 Ų112.658%0.58364%0.642SS**Hα-helixtrans-85.9-36.2175.2-76.8-82.6000112.8P314 Q315 L319 C320 D321P314-H317 PolarHBondContact O-N 2.84Å; Q315-H317 PolarHBondContact O-N 3.12Å; H317-L319 PolarHBondContact O-N 3.35Å; H317-C320 WeakPolarHBondContact O-CA 3.38Å; H317-C320 WeakPolarHBondContact O-CB 3.13Å; H317-C320 PolarHBondContact O-N 2.76Å; H317-D321 VanDerWaalsContact C-OD2 3.3Å; H317-D321 VanDerWaalsContact O-CG 3.25Å; H317-D321 PolarHBondContact O-N 3.23Å
318A64.1Low58.4Low44 Ų44114 Ų11436%0.36464%0.641SS.*Hα-helixtrans-53.8-35.4-175.800000114.1I322A318-I322 WeakPolarHBondContact O-CB 3.45Å; A318-I322 WeakPolarHBondContact O-CD1 3.23Å; A318-I322 WeakPolarHBondContact O-CG1 3.37Å; A318-I322 PolarHBondContact O-N 3.31Å
319L67.3Low59.4Low124 Ų124110.4 Ų110.465%0.64963%0.627SS**Hα-helixtrans-72.7-30.6176.4-64.5178.3000113.2H317 A323H317-L319 PolarHBondContact O-N 3.35Å; L319-A323 WeakPolarHBondContact O-CB 3.32Å; L319-A323 PolarHBondContact O-N 2.72Å; L319-A323 VanDerWaalsContact O-N 3.11Å
320C72.5Confident60.4Low69 Ų69110.5 Ų110.547%0.46663%0.625SS.*Hα-helixtrans-73.1-44.7171.6-62.60000110.7H317 I322 A323 D324H317-C320 WeakPolarHBondContact O-CA 3.38Å; H317-C320 WeakPolarHBondContact O-CB 3.13Å; H317-C320 PolarHBondContact O-N 2.76Å; C320-I322 VanDerWaalsContact C-N 3.33Å; C320-I322 PolarHBondContact O-N 3.32Å; C320-A323 CarbonylContact O-C 3.57Å; C320-A323 WeakPolarHBondContact O-CA 3.36Å; C320-A323 WeakPolarHBondContact O-CB 3.48Å; C320-A323 PolarHBondContact O-N 3.12Å; C320-D324 PolarHBondContact O-N 3.11Å
321D71.1Confident61.8Low86 Ų86115 Ų11546%0.4663%0.63SS.*Hα-helixtrans-61.3-42178.6-54.3-33.2000111.1H317 D324 M325H317-D321 VanDerWaalsContact C-OD2 3.3Å; H317-D321 VanDerWaalsContact O-CG 3.25Å; H317-D321 PolarHBondContact O-N 3.23Å; D321-D324 PolarHBondContact O-N 2.69Å; D321-M325 WeakPolarHBondContact O-CB 3.5Å; D321-M325 WeakPolarHBondContact O-CG 3.3Å; D321-M325 PolarHBondContact O-N 2.64Å
322I70.1Confident62.2Low90 Ų90112 Ų11246%0.46262%0.62SS.*Hα-helixtrans-62.1-44.8171.3-71.6164.5000110.9A318 C320 D324 M325 V326A318-I322 WeakPolarHBondContact O-CB 3.45Å; A318-I322 WeakPolarHBondContact O-CD1 3.23Å; A318-I322 WeakPolarHBondContact O-CG1 3.37Å; A318-I322 PolarHBondContact O-N 3.31Å; C320-I322 VanDerWaalsContact C-N 3.33Å; C320-I322 PolarHBondContact O-N 3.32Å; I322-D324 VanDerWaalsContact C-N 3.29Å; I322-D324 PolarHBondContact O-N 3.14Å; I322-M325 HydrophobicContact CG1-CE 4.27Å; I322-M325 PolarHBondContact O-N 2.9Å; I322-V326 HydrophobicContact CG2-CG2 4.47Å; I322-V326 WeakPolarHBondContact O-CB 3.19Å; I322-V326 VanDerWaalsContact O-CG2 3.27Å; I322-V326 WeakPolarHBondContact O-CG2 3.17Å; I322-V326 PolarHBondContact O-N 2.86Å
323A76.2Confident62.4Low42 Ų42113 Ų11335%0.34762%0.622SS.*Hα-helixtrans-63.8-33.4179.400000112.8L319 C320 K327L319-A323 WeakPolarHBondContact O-CB 3.32Å; L319-A323 PolarHBondContact O-N 2.72Å; L319-A323 VanDerWaalsContact O-N 3.11Å; C320-A323 CarbonylContact O-C 3.57Å; C320-A323 WeakPolarHBondContact O-CA 3.36Å; C320-A323 WeakPolarHBondContact O-CB 3.48Å; C320-A323 PolarHBondContact O-N 3.12Å; A323-K327 WeakPolarHBondContact O-CD 3.22Å; A323-K327 VanDerWaalsContact O-CE 3.3Å; A323-K327 WeakPolarHBondContact O-CE 3.37Å; A323-K327 VanDerWaalsContact O-CG 3.26Å; A323-K327 WeakPolarHBondContact O-CG 3.41Å; A323-K327 PolarHBondContact O-N 3.48Å
324D75.6Confident61.9Low84 Ų84114.4 Ų114.445%0.44963%0.629SS.*Hα-helixtrans-80.8-38.6176.8-74-22.3000112.5C320 D321 I322 V326 K327 V328C320-D324 PolarHBondContact O-N 3.11Å; D321-D324 PolarHBondContact O-N 2.69Å; I322-D324 VanDerWaalsContact C-N 3.29Å; I322-D324 PolarHBondContact O-N 3.14Å; D324-V326 VanDerWaalsContact C-N 3.28Å; D324-V326 PolarHBondContact O-N 3.1Å; D324-K327 WeakPolarHBondContact O-CB 3.43Å; D324-K327 PolarHBondContact O-N 2.87Å; D324-K327 WeakPolarHBondContact OD1-CD 3.46Å; D324-K327 WeakPolarHBondContact OD1-CE 3.37Å; D324-K327 IonicContact OD1-NZ 3.7Å; D324-K327 PolarHBondContact OD1-NZ 3.39Å; D324-V328 WeakPolarHBondContact O-CG2 3.18Å; D324-V328 PolarHBondContact O-N 3.4Å; D324-V328 VanDerWaalsContact O-N 3.17Å
325M76.9Confident61.3Low124 Ų124115.2 Ų115.261%0.61163%0.634SS**Hα-helixtrans-57.3-41.7169.5-75-166.8-63.300111.9D321 I322 K327 V328 L329D321-M325 WeakPolarHBondContact O-CB 3.5Å; D321-M325 WeakPolarHBondContact O-CG 3.3Å; D321-M325 PolarHBondContact O-N 2.64Å; I322-M325 HydrophobicContact CG1-CE 4.27Å; I322-M325 PolarHBondContact O-N 2.9Å; M325-K327 VanDerWaalsContact C-N 3.28Å; M325-K327 PolarHBondContact O-N 3.48Å; M325-V328 PolarHBondContact O-N 3.06Å; M325-L329 PolarHBondContact O-N 2.91Å
326V67.9Low60.5Low95 Ų95117.2 Ų117.258%0.57664%0.64SS**Hα-helixtrans-67.6-24.8177.2171.20000112.7I322 D324I322-V326 HydrophobicContact CG2-CG2 4.47Å; I322-V326 WeakPolarHBondContact O-CB 3.19Å; I322-V326 VanDerWaalsContact O-CG2 3.27Å; I322-V326 WeakPolarHBondContact O-CG2 3.17Å; I322-V326 PolarHBondContact O-N 2.86Å; D324-V326 VanDerWaalsContact C-N 3.28Å; D324-V326 PolarHBondContact O-N 3.1Å
327K70.8Confident59.3Low148 Ų148114.3 Ų114.364%0.64364%0.64SS**Hα-helixtrans-76.8-27.2172.7-69.8164-155.8164.40113.3A323 D324 M325A323-K327 WeakPolarHBondContact O-CD 3.22Å; A323-K327 VanDerWaalsContact O-CE 3.3Å; A323-K327 WeakPolarHBondContact O-CE 3.37Å; A323-K327 VanDerWaalsContact O-CG 3.26Å; A323-K327 WeakPolarHBondContact O-CG 3.41Å; A323-K327 PolarHBondContact O-N 3.48Å; D324-K327 WeakPolarHBondContact O-CB 3.43Å; D324-K327 PolarHBondContact O-N 2.87Å; D324-K327 WeakPolarHBondContact OD1-CD 3.46Å; D324-K327 WeakPolarHBondContact OD1-CE 3.37Å; D324-K327 IonicContact OD1-NZ 3.7Å; D324-K327 PolarHBondContact OD1-NZ 3.39Å; M325-K327 VanDerWaalsContact C-N 3.28Å; M325-K327 PolarHBondContact O-N 3.48Å
328V58.2Low58.1Low121 Ų121112.7 Ų112.773%0.73365%0.648SS**Hα-helixtrans-81.4-16.8-178.1173.80000112.4D324 M325 P330D324-V328 WeakPolarHBondContact O-CG2 3.18Å; D324-V328 PolarHBondContact O-N 3.4Å; D324-V328 VanDerWaalsContact O-N 3.17Å; M325-V328 PolarHBondContact O-N 3.06Å; V328-P330 WeakPolarHBondContact O-CD 3.28Å
329L57.6Low56.7Low120 Ų120115.2 Ų115.263%0.62867%0.669SS**SBendtrans-65.2123.7174.3-67.2176.2000112.1M325 K331M325-L329 PolarHBondContact O-N 2.91Å; L329-K331 PolarHBondContact O-N 3.34Å
330P53.9Low54.9Low114 Ų114114.8 Ų114.874%0.7468%0.677SS**  trans-63.1133.6177.2-24.235.1000113.2V328 A332V328-P330 WeakPolarHBondContact O-CD 3.28Å; P330-A332 VanDerWaalsContact C-N 3.26Å; P330-A332 PolarHBondContact O-N 2.81Å
331K59.9Low52.9Low220 Ų220116.5 Ų116.596%0.95769%0.689SS**SBendtrans-76.865.1-180-69.1170.9177.8166.70112.3L329L329-K331 PolarHBondContact O-N 3.34Å
332A49.7Very low51.1Low82 Ų82123.5 Ų123.568%0.67871%0.709SS**  trans-151.142.5-170.500000117.4P330P330-A332 VanDerWaalsContact C-N 3.26Å; P330-A332 PolarHBondContact O-N 2.81Å
333T41.3Very low49.5Very low131 Ų131125.6 Ų125.680%0.80473%0.726SS**  trans-14393.3161.952.80000112.9
334T39Very low48.5Very low141 Ų141128.7 Ų128.787%0.86574%0.742SS**  trans-116.295.3167.850.90000110.9
335P38.3Very low46.9Very low118 Ų118130.8 Ų130.877%0.76676%0.76SS**PPolyproline II helixtrans-73.3133.7161.630.3-30.1000109.3P337P335-P337 WeakPolarHBondContact O-CD 3.35Å
336K40.6Very low45Very low202 Ų202133.3 Ų133.388%0.87877%0.773SS**PPolyproline II helixtrans-88120.9-173.2177.3-175.6-177.2179.40111.4
337P36.5Very low43.6Very low119 Ų119139 Ų13977%0.77379%0.79SS**PPolyproline II helixtrans-94.2148.3163.335-30.3000111.3P335P335-P337 WeakPolarHBondContact O-CD 3.35Å
338A32.5Very low42.3Very low92 Ų92138.9 Ų138.976%0.7680%0.796SS**  trans-108.5151.5167.500000110.3
339A35.3Very low41.2Very low98 Ų98141 Ų14181%0.8180%0.798SS**  trans22.1131.7159.400000121.7
340S29.9Very low40.4Very low115 Ų115142.9 Ų142.980%0.80481%0.807SS**  trans97.7111133.5-1480000121
341S29.2Very low39.6Very low104 Ų104143.7 Ų143.773%0.72781%0.805SS**  trans87.5152.9131-154.30000122.1
342R33.1Very low38.3Very low234 Ų234138 Ų13888%0.88379%0.788SS**  trans80.5163.5170.5-56.1-167.8178.4172.11.2118
343V37.9Very low37.8Very low134 Ų134144.1 Ų144.181%0.81279%0.794SS**  trans-129.4-164.1-148.2-150.90000111
344P55.3Low37.4Very low106 Ų106149.3 Ų149.369%0.68880%0.799SS**  -87.6-170.4-122.643.2-30.4000114.8
345P41.1Very low37.1Very low128 Ų128151.3 Ų151.383%0.83180%0.796SS**  -138174.4108.138.9-28.4000115.6
346M37.1Very low37.4Very low177 Ų177153.4 Ų153.487%0.87280%0.795SS**  trans-83.7162.2-174.4-60.3164.6157.300114.6
347K38.2Very low37.2Very low214 Ų214150.7 Ų150.793%0.9379%0.79SS**  trans-153.9171131.6-114.7172.3-176.6-1770111.8
348L43.7Very low37.1Very low147 Ų147150.8 Ų150.877%0.7779%0.788SS**  trans-138.3173.8-153.2-146.9147.6000110.6
349E34.4Very low37.5Very low166 Ų166152.2 Ų152.278%0.77679%0.793SS**  trans80149.5168.5-53.6-178.7164.400115.7
350I42.8Very low37.5Very low159 Ų159152.6 Ų152.682%0.81579%0.79SS**  cis-143.5171.910.3-142.6155.1000113
351D35.7Very low37.9Very low130 Ų130155 Ų15570%0.69579%0.788SS**  trans-95.4179.6-172.5-179.835.4000114.4
352V33.3Very low38.2Very low101 Ų101156.6 Ų156.661%0.61279%0.793SS**  trans103.287.2154.5-165.80000118.7
353R38.7Very low38.3Very low210 Ų210151.1 Ų151.179%0.79279%0.79SS**  trans43.3124.3131.2-49.4178.8-156.6178.66120.6
354R33.7Very low38.4Very low241 Ų241151.3 Ų151.391%0.90979%0.792SS**  -149.9172.3113.7-111.3173.6-14577.6-10.6110.6
355F32.4Very low37.6Very low183 Ų183152.9 Ų152.980%0.80379%0.794SS**  trans-114.1178.8-162.8-129.3-114.3000111.7
356E43.5Very low37.9Very low161 Ų161155.1 Ų155.175%0.75279%0.793SS**  trans71.6135.5177.6-91.559.4-112.200119.8
357D36.9Very low38.3Very low145 Ų145156.2 Ų156.278%0.77579%0.793SS**  trans57.983.6156.2-155.824.3000122.3
358V34.4Very low38.5Very low122 Ų122157.6 Ų157.674%0.73979%0.792SS**  -146.398.6112.71770000108.6S360V358-S360 PolarHBondContact O-N 3.41Å
359S40.1Very low38.7Very low121 Ų121159.4 Ų159.485%0.84679%0.794SS**  trans-98.572.4179.9-164.10000112.4
360S35.3Very low38.9Very low107 Ų107154.1 Ų154.175%0.74878%0.784SS**SBendtrans-157.9-34.8176.2-1490000117.3V358V358-S360 PolarHBondContact O-N 3.41Å
361E38.5Very low38.7Very low166 Ų166158.3 Ų158.378%0.77679%0.789SS**SBendtrans-107.817.2-153.5-56.5-153.1144.700118.4
362V35.1Very low39.4Very low136 Ų136158.8 Ų158.882%0.82479%0.788SS**  trans-127.173.7173.6-166.90000112.8
363S35.4Very low40.7Very low119 Ų119158.1 Ų158.183%0.83279%0.787SS**  trans-141.732.2165.4-141.10000114.9
364T41.7Very low42.1Very low138 Ų138156 Ų15685%0.84779%0.791SS**  trans-100.719.8166.752.20000112.4H366T364-H366 PolarHBondContact O-N 3.28Å
365L36.7Very low44.6Very low140 Ų140147.8 Ų147.873%0.73376%0.761SS**  trans-64.999.1-178.6-177.164.1000112.1K367L365-K367 VanDerWaalsContact C-N 3.31Å; L365-K367 PolarHBondContact O-N 3.07Å
366H47.9Very low47.4Very low174 Ų174141.7 Ų141.781%0.80674%0.737SS**  trans4340.4146.4-78.493.3000118.4T364 R368T364-H366 PolarHBondContact O-N 3.28Å; H366-R368 PolarHBondContact O-N 3.45Å; H366-R368 VanDerWaalsContact O-N 3.16Å
367K45.2Very low49.7Very low200 Ų200137.9 Ų137.987%0.8773%0.725SS**  trans-62.6119.7156.1-69-166178.2-176.40107.8L365 K369L365-K367 VanDerWaalsContact C-N 3.31Å; L365-K367 PolarHBondContact O-N 3.07Å; K367-K369 PolarHBondContact O-N 3.17Å
368R42.8Very low52.4Low244 Ų244136.6 Ų136.692%0.92172%0.715SS**  trans-42.5131.8176.2-69177.6178.9153.1-0.1109H366 G370H366-R368 PolarHBondContact O-N 3.45Å; H366-R368 VanDerWaalsContact O-N 3.16Å; R368-G370 PolarHBondContact O-N 2.97Å
369K47.2Very low55.2Low185 Ų185132.6 Ų132.680%0.80469%0.688SS**  trans-73.965.7-177.7-168.5142.3174.4176.10111.1K367K367-K369 PolarHBondContact O-N 3.17Å
370G39Very low57.8Low54 Ų54129.1 Ų129.156%0.55766%0.66SS**  trans-49.8140.416300000108.5R368 Q372R368-G370 PolarHBondContact O-N 2.97Å; G370-Q372 PolarHBondContact O-N 3Å
371R39.6Very low60.6Low247 Ų247124.5 Ų124.593%0.93263%0.627SS**  trans-46.5107.7-169.8-67177.1179.3-94.92.2109.5S373R371-S373 PolarHBondContact O-N 2.51Å; R371-S373 VanDerWaalsContact O-N 3.11Å
372Q49.9Very low63.3Low141 Ų141116.8 Ų116.866%0.65959%0.591SS**  trans-54.8122.3173.9-73.4-71.9-14.600106.2G370 N374G370-Q372 PolarHBondContact O-N 3Å; Q372-N374 PolarHBondContact O-N 2.52Å
373S60.7Low66.2Low87 Ų87110.4 Ų110.461%0.60855%0.552SS**  trans-64.7107.6-173.540.90000108.1R371 W375R371-S373 PolarHBondContact O-N 2.51Å; R371-S373 VanDerWaalsContact O-N 3.11Å; S373-W375 PolarHBondContact O-N 3.08Å
374N68.6Low69.1Low164 Ų164105.4 Ų105.488%0.87752%0.515SS*.  trans-78.671.1-171.6-165.6-12.8000109.9Q372Q372-N374 PolarHBondContact O-N 2.52Å
375W86.4Confident71.6Confident69 Ų6998.9 Ų98.926%0.26148%0.476SS..  trans-79132167.6-71.490.2000108.7S373 L380 L383 L418 T422 W426S373-W375 PolarHBondContact O-N 3.08Å; W375-L380 HydrophobicContact CB-CD1 3.79Å; W375-L380 HydrophobicContact CB-CD2 3.91Å; W375-L380 HydrophobicContact CB-CG 3.76Å; W375-L380 HydrophobicContact CD2-CD2 4.08Å; W375-L380 HydrophobicContact CE3-CD2 4.17Å; W375-L380 HydrophobicContact CG-CD2 3.99Å; W375-L380 HydrophobicContact CG-CG 4.39Å; W375-L383 HydrophobicContact CE3-CD1 4.32Å; W375-L383 HydrophobicContact CZ3-CD1 3.88Å; W375-L418 HydrophobicContact CE3-CD1 4.5Å; W375-L418 HydrophobicContact CZ3-CD1 3.92Å; W375-L418 HydrophobicContact CZ3-CD2 4.3Å; W375-T422 HydrophobicContact CH2-CG2 3.45Å; W375-T422 VanDerWaalsContact CH2-CG2 3.45Å; W375-T422 HydrophobicContact CZ2-CG2 4.3Å; W375-T422 HydrophobicContact CZ3-CG2 3.9Å; W375-W426 HydrophobicContact CH2-CB 3.8Å; W375-W426 AromaticContact CH2-CD1 3.84Å; W375-W426 HydrophobicContact CH2-CG 4.14Å; W375-W426 HydrophobicContact CZ2-CB 4.23Å; W375-W426 AromaticContact CZ2-CD1 3.85Å; W375-W426 HydrophobicContact CZ2-CG 4.44Å
376N91.1Very high74.4Confident56 Ų5693.2 Ų93.230%0.29945%0.445SS..  trans-56.7123.9167.7177.1-4000108.7Q378 H379 L380N376-Q378 VanDerWaalsContact C-N 3.25Å; N376-Q378 PolarHBondContact O-N 3.27Å; N376-Q378 PolarHBondContact OD1-N 3.06Å; N376-H379 HydrophobicContact CB-CB 4.16Å; N376-H379 PolarHBondContact ND2-CD2 3.26Å; N376-H379 PolarHBondContact ND2-NE2 3.37Å; N376-H379 WeakPolarHBondContact O-CB 3.47Å; N376-H379 PolarHBondContact O-N 3.35Å; N376-L380 PolarHBondContact O-N 3.38Å; N376-L380 VanDerWaalsContact O-N 3.11Å
377P91.1Very high76.6Confident80 Ų8085 Ų8552%0.51941%0.407SS..Hα-helixtrans-55.7-39.2179.121.5-33.4000112.4H379 L380 L381P377-H379 VanDerWaalsContact C-N 3.3Å; P377-H379 PolarHBondContact O-N 3.33Å; P377-L380 CarbonylContact O-C 3.6Å; P377-L380 WeakPolarHBondContact O-CA 3.38Å; P377-L380 WeakPolarHBondContact O-CB 3.41Å; P377-L380 PolarHBondContact O-N 3.29Å; P377-L381 WeakPolarHBondContact O-CG 3.25Å; P377-L381 PolarHBondContact O-N 3.4Å
378Q92.8Very high79Confident118 Ų11875.4 Ų75.455%0.55137%0.366SS*.Hα-helixtrans-60.2-40.5176.9-65.1174.8-31.500111.9N376 L380 L381 I382 L476N376-Q378 VanDerWaalsContact C-N 3.25Å; N376-Q378 PolarHBondContact O-N 3.27Å; N376-Q378 PolarHBondContact OD1-N 3.06Å; Q378-L380 VanDerWaalsContact C-N 3.3Å; Q378-L380 PolarHBondContact O-N 2.79Å; Q378-L381 PolarHBondContact O-N 3.26Å; Q378-I382 WeakPolarHBondContact O-CD1 3.32Å; Q378-I382 VanDerWaalsContact O-CG1 3.32Å; Q378-I382 WeakPolarHBondContact O-CG1 3.35Å; Q378-I382 PolarHBondContact O-N 3.11Å; Q378-L476 HydrophobicContact CB-CD2 4.34Å
379H94.4Very high81.4Confident39 Ų3967.5 Ų67.518%0.18135%0.348CS..Hα-helixtrans-67.7-33.5176.8-61.5-174.2000111.2N376 P377 L383 T416 L418N376-H379 HydrophobicContact CB-CB 4.16Å; N376-H379 PolarHBondContact ND2-CD2 3.26Å; N376-H379 PolarHBondContact ND2-NE2 3.37Å; N376-H379 WeakPolarHBondContact O-CB 3.47Å; N376-H379 PolarHBondContact O-N 3.35Å; P377-H379 VanDerWaalsContact C-N 3.3Å; P377-H379 PolarHBondContact O-N 3.33Å; H379-L383 VanDerWaalsContact O-CB 3.3Å; H379-L383 WeakPolarHBondContact O-CB 3.41Å; H379-L383 WeakPolarHBondContact O-CD1 3.27Å; H379-L383 WeakPolarHBondContact O-CG 3.43Å; H379-L383 PolarHBondContact O-N 3.05Å; H379-T416 HydrophobicContact CB-CG2 4.38Å; H379-T416 PolarHBondContact CE1-O 2.87Å; H379-L418 HydrophobicContact CB-CD1 4.07Å
380L94.5Very high83.5Confident48 Ų4859.2 Ų59.225%0.25131%0.313SS..Hα-helixtrans-66.7-38.7172.1-68.6176.5000112.1W375 N376 P377 Q378 L383 Q384W375-L380 HydrophobicContact CB-CD1 3.79Å; W375-L380 HydrophobicContact CB-CD2 3.91Å; W375-L380 HydrophobicContact CB-CG 3.76Å; W375-L380 HydrophobicContact CD2-CD2 4.08Å; W375-L380 HydrophobicContact CE3-CD2 4.17Å; W375-L380 HydrophobicContact CG-CD2 3.99Å; W375-L380 HydrophobicContact CG-CG 4.39Å; N376-L380 PolarHBondContact O-N 3.38Å; N376-L380 VanDerWaalsContact O-N 3.11Å; P377-L380 CarbonylContact O-C 3.6Å; P377-L380 WeakPolarHBondContact O-CA 3.38Å; P377-L380 WeakPolarHBondContact O-CB 3.41Å; P377-L380 PolarHBondContact O-N 3.29Å; Q378-L380 VanDerWaalsContact C-N 3.3Å; Q378-L380 PolarHBondContact O-N 2.79Å; L380-L383 PolarHBondContact O-N 3.18Å; L380-Q384 VanDerWaalsContact C-NE2 3.33Å; L380-Q384 VanDerWaalsContact O-CB 3.32Å; L380-Q384 WeakPolarHBondContact O-CB 3.26Å; L380-Q384 WeakPolarHBondContact O-CG 3.31Å; L380-Q384 PolarHBondContact O-N 2.93Å; L380-Q384 PolarHBondContact O-NE2 3.15Å
381L94.9Very high86Confident10 Ų1057.2 Ų57.25%0.05229%0.289CS..Hα-helixtrans-65.5-44.3175.8-57.1-167.6000110.8P377 Q378 L383 Q384 A385 L472 H475 L476P377-L381 WeakPolarHBondContact O-CG 3.25Å; P377-L381 PolarHBondContact O-N 3.4Å; Q378-L381 PolarHBondContact O-N 3.26Å; L381-L383 PolarHBondContact O-N 2.86Å; L381-Q384 PolarHBondContact O-N 3.32Å; L381-A385 WeakPolarHBondContact O-CB 3.45Å; L381-A385 PolarHBondContact O-N 2.88Å; L381-L472 HydrophobicContact CD2-CD2 4.03Å; L381-H475 HydrophobicContact CD1-CB 3.63Å; L381-L476 HydrophobicContact CB-CD1 4.31Å; L381-L476 HydrophobicContact CB-CD2 4.15Å; L381-L476 HydrophobicContact CB-CG 4.24Å
382I95.1Very high88.4Confident4 Ų450.2 Ų50.22%0.02127%0.266CS..Hα-helixtrans-58.5-47.8175-68.8160.3000111.1Q378 Q384 A385 Q386 F415 T416 L476 F478 M480 M483Q378-I382 WeakPolarHBondContact O-CD1 3.32Å; Q378-I382 VanDerWaalsContact O-CG1 3.32Å; Q378-I382 WeakPolarHBondContact O-CG1 3.35Å; Q378-I382 PolarHBondContact O-N 3.11Å; I382-Q384 PolarHBondContact O-N 2.81Å; I382-A385 PolarHBondContact O-N 2.95Å; I382-Q386 WeakPolarHBondContact O-CB 3.43Å; I382-Q386 VanDerWaalsContact O-CG 3.31Å; I382-Q386 WeakPolarHBondContact O-CG 3.43Å; I382-Q386 PolarHBondContact O-N 3.2Å; I382-F415 HydrophobicContact CD1-CD1 3.85Å; I382-F415 HydrophobicContact CD1-CE1 3.62Å; I382-T416 HydrophobicContact CB-CG2 4.46Å; I382-T416 HydrophobicContact CD1-CG2 3.98Å; I382-T416 HydrophobicContact CG2-CG2 3.97Å; I382-L476 HydrophobicContact CD1-CD2 4.27Å; I382-L476 HydrophobicContact CG1-CD1 3.81Å; I382-L476 HydrophobicContact CG1-CD2 3.93Å; I382-F478 HydrophobicContact CD1-CZ 4.28Å; I382-F478 HydrophobicContact CG1-CZ 4.32Å; I382-M480 HydrophobicContact CG2-CE 4.18Å; I382-M483 HydrophobicContact CG2-SD 3.93Å
383L95.5Very high90.4Very high2 Ų248.6 Ų48.61%0.0126%0.258CS..Hα-helixtrans-63.2-38.2177.3-77166.6000112.5W375 H379 L380 L381 F387 I412 L418 I423 W426W375-L383 HydrophobicContact CE3-CD1 4.32Å; W375-L383 HydrophobicContact CZ3-CD1 3.88Å; H379-L383 VanDerWaalsContact O-CB 3.3Å; H379-L383 WeakPolarHBondContact O-CB 3.41Å; H379-L383 WeakPolarHBondContact O-CD1 3.27Å; H379-L383 WeakPolarHBondContact O-CG 3.43Å; H379-L383 PolarHBondContact O-N 3.05Å; L380-L383 PolarHBondContact O-N 3.18Å; L381-L383 PolarHBondContact O-N 2.86Å; L383-F387 VanDerWaalsContact O-CB 3.23Å; L383-F387 WeakPolarHBondContact O-CB 3.47Å; L383-F387 PolarHBondContact O-N 3.5Å; L383-I412 HydrophobicContact CD2-CG2 3.93Å; L383-L418 HydrophobicContact CD1-CD1 4.03Å; L383-I423 HydrophobicContact CD2-CG1 4.45Å; L383-I423 HydrophobicContact CD2-CG2 4.03Å; L383-W426 HydrophobicContact CB-CD2 4.22Å; L383-W426 HydrophobicContact CB-CE3 4.05Å; L383-W426 HydrophobicContact CB-CH2 3.68Å; L383-W426 HydrophobicContact CB-CZ2 3.84Å; L383-W426 HydrophobicContact CB-CZ3 3.78Å; L383-W426 HydrophobicContact CD1-CD2 4Å; L383-W426 HydrophobicContact CD1-CE3 4.4Å; L383-W426 HydrophobicContact CD1-CG 4.12Å; L383-W426 HydrophobicContact CD2-CD2 4.44Å; L383-W426 HydrophobicContact CD2-CE3 4.04Å; L383-W426 HydrophobicContact CD2-CZ3 4.37Å; L383-W426 HydrophobicContact CG-CD2 4.47Å; L383-W426 HydrophobicContact CG-CE3 4.41Å
384Q95.4Very high91.8Very high14 Ų1446.2 Ų46.27%0.06524%0.24CC..Hα-helixtrans-69.8-42.2176.4-76.3168.484.500112.5L380 L381 I382 F387 A388 W426 F442 Y468 L472L380-Q384 VanDerWaalsContact C-NE2 3.33Å; L380-Q384 VanDerWaalsContact O-CB 3.32Å; L380-Q384 WeakPolarHBondContact O-CB 3.26Å; L380-Q384 WeakPolarHBondContact O-CG 3.31Å; L380-Q384 PolarHBondContact O-N 2.93Å; L380-Q384 PolarHBondContact O-NE2 3.15Å; L381-Q384 PolarHBondContact O-N 3.32Å; I382-Q384 PolarHBondContact O-N 2.81Å; Q384-F387 PolarHBondContact O-N 3.31Å; Q384-A388 WeakPolarHBondContact O-CB 3.35Å; Q384-A388 PolarHBondContact O-N 3.47Å; Q384-W426 HydrophobicContact CG-CH2 4.28Å; Q384-W426 HydrophobicContact CG-CZ2 4.19Å; Q384-F442 HydrophobicContact CB-CD2 4.33Å; Q384-F442 HydrophobicContact CB-CE2 4.35Å; Q384-F442 HydrophobicContact CG-CB 4.46Å; Q384-F442 HydrophobicContact CG-CD1 3.77Å; Q384-F442 HydrophobicContact CG-CD2 3.87Å; Q384-F442 HydrophobicContact CG-CE1 3.88Å; Q384-F442 HydrophobicContact CG-CE2 3.98Å; Q384-F442 HydrophobicContact CG-CG 3.78Å; Q384-F442 HydrophobicContact CG-CZ 3.99Å; Q384-Y468 HydrophobicContact CB-CE1 4.5Å; Q384-Y468 PolarHBondContact OE1-OH 3Å; Q384-Y468 VanDerWaalsContact OE1-OH 3.05Å; Q384-L472 HydrophobicContact CB-CD1 3.96Å
385A95.5Very high92.8Very high1 Ų145.1 Ų45.11%0.00825%0.246CC..Hα-helixtrans-65.2-44.7177.700000111.4L381 I382 A388 S389 L472 M480L381-A385 WeakPolarHBondContact O-CB 3.45Å; L381-A385 PolarHBondContact O-N 2.88Å; I382-A385 PolarHBondContact O-N 2.95Å; A385-A388 PolarHBondContact O-N 3.33Å; A385-S389 WeakPolarHBondContact O-CB 3.46Å; A385-S389 PolarHBondContact O-N 3.07Å; A385-L472 HydrophobicContact CB-CB 4.29Å; A385-L472 HydrophobicContact CB-CD1 3.8Å; A385-M480 HydrophobicContact CB-CE 3.83Å; A385-M480 HydrophobicContact CB-CG 3.87Å; A385-M480 HydrophobicContact CB-SD 3.73Å
386Q94.8Very high92.8Very high21 Ų2148.1 Ų48.110%0.09826%0.262CS..Hα-helixtrans-65.5-40.1174.5-68.4-67.9-7.700112I382 S389 S390 L404 I412 M480 M483I382-Q386 WeakPolarHBondContact O-CB 3.43Å; I382-Q386 VanDerWaalsContact O-CG 3.31Å; I382-Q386 WeakPolarHBondContact O-CG 3.43Å; I382-Q386 PolarHBondContact O-N 3.2Å; Q386-S389 PolarHBondContact O-N 2.91Å; Q386-S390 PolarHBondContact O-N 3.35Å; Q386-S390 VanDerWaalsContact O-N 3.09Å; Q386-L404 HydrophobicContact CB-CD2 4.19Å; Q386-I412 HydrophobicContact CB-CD1 3.78Å; Q386-I412 HydrophobicContact CB-CG1 4.45Å; Q386-I412 HydrophobicContact CG-CD1 3.81Å; Q386-I412 HydrophobicContact CG-CG1 3.92Å; Q386-M480 HydrophobicContact CG-CE 3.69Å; Q386-M483 VanDerWaalsContact NE2-CE 3.28Å
387F94.9Very high92.6Very high0 Ų046.8 Ų46.80%026%0.262CS..Hα-helixtrans-60.5-46.8172.7-176.1-89.1000111.8L383 Q384 S389 S390 L391 L401 W426 L427 V430 K431 L434 F442 L443L383-F387 VanDerWaalsContact O-CB 3.23Å; L383-F387 WeakPolarHBondContact O-CB 3.47Å; L383-F387 PolarHBondContact O-N 3.5Å; Q384-F387 PolarHBondContact O-N 3.31Å; F387-S389 VanDerWaalsContact C-N 3.32Å; F387-S389 PolarHBondContact O-N 3.03Å; F387-S390 PolarHBondContact O-N 3.19Å; F387-S390 PolarHBondContact O-OG 3.44Å; F387-L391 HydrophobicContact CE1-CD1 4.43Å; F387-L391 HydrophobicContact CE1-CD2 4.12Å; F387-L391 HydrophobicContact CE1-CG 4.48Å; F387-L391 HydrophobicContact CZ-CD2 4.38Å; F387-L401 HydrophobicContact CZ-CD2 4.41Å; F387-L401 HydrophobicContact CZ-CG 4.18Å; F387-W426 HydrophobicContact CB-CH2 4.32Å; F387-W426 HydrophobicContact CB-CZ3 4.22Å; F387-L427 HydrophobicContact CD2-CD2 3.9Å; F387-V430 HydrophobicContact CD1-CG1 4.43Å; F387-V430 HydrophobicContact CD2-CG1 3.99Å; F387-V430 HydrophobicContact CE1-CG1 4.14Å; F387-V430 HydrophobicContact CE2-CG1 3.65Å; F387-V430 HydrophobicContact CG-CG1 4.37Å; F387-V430 HydrophobicContact CZ-CG1 3.73Å; F387-K431 HydrophobicContact CE2-CG 4.38Å; F387-L434 HydrophobicContact CE1-CD1 3.97Å; F387-L434 HydrophobicContact CZ-CD1 3.54Å; F387-F442 AromaticContact CD1-CE2 3.96Å; F387-F442 HydrophobicContact CD1-CE2 3.96Å; F387-F442 AromaticContact CD1-CZ 3.98Å; F387-F442 HydrophobicContact CD1-CZ 3.98Å; F387-F442 HydrophobicContact CG-CZ 4.39Å; F387-L443 HydrophobicContact CD1-CD2 4.45Å; F387-L443 HydrophobicContact CE1-CD2 3.7Å
388A94.6Very high92.5Very high0 Ų046.4 Ų46.40%025%0.252CS..Hα-helixtrans-62.6-38.8176.700000112.1Q384 A385 S390 L391 F453 P465 Y468 I469Q384-A388 WeakPolarHBondContact O-CB 3.35Å; Q384-A388 PolarHBondContact O-N 3.47Å; A385-A388 PolarHBondContact O-N 3.33Å; A388-S390 PolarHBondContact O-N 2.99Å; A388-L391 WeakPolarHBondContact O-CB 3.29Å; A388-L391 PolarHBondContact O-N 3.44Å; A388-L391 VanDerWaalsContact O-N 3.16Å; A388-F453 HydrophobicContact CB-CD1 4.43Å; A388-F453 HydrophobicContact CB-CE1 3.84Å; A388-F453 HydrophobicContact CB-CZ 4.45Å; A388-P465 HydrophobicContact CB-CB 4.43Å; A388-Y468 HydrophobicContact CB-CD1 4Å; A388-Y468 HydrophobicContact CB-CE1 4.49Å; A388-I469 HydrophobicContact CB-CD1 4.2Å; A388-I469 HydrophobicContact CB-CG1 4.01Å
389S93.3Very high92.5Very high78 Ų7842.2 Ų42.255%0.54523%0.231SC..Hα-helixtrans-67.2-23.2177.5-164.60000113.3A385 Q386 F387 L391A385-S389 WeakPolarHBondContact O-CB 3.46Å; A385-S389 PolarHBondContact O-N 3.07Å; Q386-S389 PolarHBondContact O-N 2.91Å; F387-S389 VanDerWaalsContact C-N 3.32Å; F387-S389 PolarHBondContact O-N 3.03Å; S389-L391 VanDerWaalsContact C-N 3.34Å
390S92.1Very high92.3Very high11 Ų1144.3 Ų44.38%0.07724%0.243CC..THydrogen-bonded Turntrans-79.8-11.1174.977.50000113.9Q386 F387 A388 F392 S402 L404Q386-S390 PolarHBondContact O-N 3.35Å; Q386-S390 VanDerWaalsContact O-N 3.09Å; F387-S390 PolarHBondContact O-N 3.19Å; F387-S390 PolarHBondContact O-OG 3.44Å; A388-S390 PolarHBondContact O-N 2.99Å; S390-F392 PolarHBondContact O-N 3.49Å; S390-S402 WeakPolarHBondContact O-CB 3.21Å; S390-S402 PolarHBondContact O-OG 2.85Å; S390-L404 VanDerWaalsContact CB-CD1 3.46Å; S390-L404 VanDerWaalsContact OG-CD1 3.25Å; S390-L404 WeakPolarHBondContact OG-CD1 3.49Å
391L91.8Very high92.1Very high11 Ų1144.4 Ų44.46%0.05824%0.244CC..EExtended strand (participates in β ladder)trans-75.7108.9-179.7-62.5174.3000110F387 A388 S389 Y399 L400 L401 L443 M446 F453F387-L391 HydrophobicContact CE1-CD1 4.43Å; F387-L391 HydrophobicContact CE1-CD2 4.12Å; F387-L391 HydrophobicContact CE1-CG 4.48Å; F387-L391 HydrophobicContact CZ-CD2 4.38Å; A388-L391 WeakPolarHBondContact O-CB 3.29Å; A388-L391 PolarHBondContact O-N 3.44Å; A388-L391 VanDerWaalsContact O-N 3.16Å; S389-L391 VanDerWaalsContact C-N 3.34Å; L391-Y399 HydrophobicContact CB-CD1 4.27Å; L391-L400 WeakPolarHBondContact CA-O 3.18Å; L391-L401 HydrophobicContact CD2-CD1 3.92Å; L391-L401 HydrophobicContact CD2-CG 4.17Å; L391-L443 HydrophobicContact CD1-CD2 4.25Å; L391-M446 HydrophobicContact CD1-CE 4.26Å; L391-M446 HydrophobicContact CD2-CE 4.3Å; L391-F453 HydrophobicContact CD1-CE1 3.79Å; L391-F453 HydrophobicContact CD1-CZ 3.63Å
392F88.8Confident91.7Very high101 Ų10145.9 Ų45.944%0.44326%0.255SS..EExtended strand (participates in β ladder)trans-84.3147.3177.480.7-82.8000111.1S390 T394 Y399 L400 S402S390-F392 PolarHBondContact O-N 3.49Å; F392-T394 HydrophobicContact CE2-CG2 4.15Å; F392-Y399 WeakPolarHBondContact O-CA 3.47Å; F392-L400 HydrophobicContact CD1-CB 4Å; F392-L400 HydrophobicContact CE1-CB 3.48Å; F392-L400 VanDerWaalsContact CE1-CB 3.48Å; F392-L400 HydrophobicContact CE1-CD1 4.26Å; F392-L400 HydrophobicContact CE1-CG 4.5Å; F392-L400 HydrophobicContact CE2-CB 4.45Å; F392-L400 HydrophobicContact CE2-CD1 4.21Å; F392-L400 HydrophobicContact CZ-CB 3.75Å; F392-L400 HydrophobicContact CZ-CD1 3.66Å; F392-L400 HydrophobicContact CZ-CG 4.3Å; F392-L400 PolarHBondContact N-O 3.14Å; F392-L400 PolarHBondContact O-N 2.92Å; F392-S402 WeakPolarHBondContact CD1-OG 3.25Å
393Q92.2Very high91.2Very high106 Ų10650.7 Ų50.750%0.49528%0.281SS..EExtended strand (participates in β ladder)trans-96.6134.7174.9-158.9171.113.900109.5G397 K398 Y399Q393-G397 WeakPolarHBondContact CG-O 3.4Å; Q393-G397 PolarHBondContact NE2-O 3.49Å; Q393-K398 CarbonylContact C-O 3.57Å; Q393-K398 WeakPolarHBondContact CA-O 3.33Å; Q393-Y399 HydrophobicContact CB-CD1 4Å; Q393-Y399 HydrophobicContact CB-CE1 3.67Å; Q393-Y399 HydrophobicContact CG-CD1 4.3Å; Q393-Y399 HydrophobicContact CG-CD2 4.47Å; Q393-Y399 HydrophobicContact CG-CE1 3.95Å; Q393-Y399 HydrophobicContact CG-CE2 4.18Å; Q393-Y399 PolarHBondContact OE1-OH 3Å
394T90.4Very high90.9Very high38 Ų3850.7 Ų50.723%0.23328%0.281CS..PPolyproline II helixtrans-80.3167.2172.369.40000110.7F392 E396 G397 K398 L400F392-T394 HydrophobicContact CE2-CG2 4.15Å; T394-E396 PolarHBondContact O-N 3.19Å; T394-E396 VanDerWaalsContact O-N 3.15Å; T394-E396 PolarHBondContact OG1-N 3.26Å; T394-G397 PolarHBondContact O-N 2.65Å; T394-K398 PolarHBondContact N-O 3.14Å; T394-K398 PolarHBondContact OG1-O 3.45Å; T394-L400 HydrophobicContact CG2-CD1 3.55Å; T394-L400 HydrophobicContact CG2-CG 3.99Å
395S89.3Confident90.6Very high141 Ų14151 Ų5199%0.98629%0.288SS*.THydrogen-bonded Turntrans-59.3-19.3170.547.10000113.7G397S395-G397 VanDerWaalsContact C-N 3.26Å; S395-G397 PolarHBondContact O-N 3.43Å
396E86.9Confident90.4Very high131 Ų13155.8 Ų55.861%0.61232%0.319SS*.THydrogen-bonded Turntrans-83.93.4173.7-149-164.5161.300112.8T394 K398T394-E396 PolarHBondContact O-N 3.19Å; T394-E396 VanDerWaalsContact O-N 3.15Å; T394-E396 PolarHBondContact OG1-N 3.26Å; E396-K398 PolarHBondContact O-N 3.19Å; E396-K398 WeakPolarHBondContact OE1-CE 3.39Å; E396-K398 IonicContact OE1-NZ 3.11Å; E396-K398 PolarHBondContact OE1-NZ 2.96Å; E396-K398 WeakPolarHBondContact OE2-CD 3.42Å; E396-K398 VanDerWaalsContact OE2-CE 3.22Å; E396-K398 WeakPolarHBondContact OE2-CE 3.32Å; E396-K398 IonicContact OE2-NZ 3.94Å; E396-K398 PolarHBondContact OE2-NZ 2.82Å
397G86.1Confident90.3Very high28 Ų2861.1 Ų61.129%0.28934%0.344SS..SBendtrans77.5-8.3-178.300000115.2Q393 T394 S395Q393-G397 WeakPolarHBondContact CG-O 3.4Å; Q393-G397 PolarHBondContact NE2-O 3.49Å; T394-G397 PolarHBondContact O-N 2.65Å; S395-G397 VanDerWaalsContact C-N 3.26Å; S395-G397 PolarHBondContact O-N 3.43Å
398K89.9Confident90.1Very high72 Ų7264.4 Ų64.431%0.31336%0.359SS..  trans-72.2146.2176.1-65.2176.3-172.8155.30111.2Q393 T394 E396 G449Q393-K398 CarbonylContact C-O 3.57Å; Q393-K398 WeakPolarHBondContact CA-O 3.33Å; T394-K398 PolarHBondContact N-O 3.14Å; T394-K398 PolarHBondContact OG1-O 3.45Å; E396-K398 PolarHBondContact O-N 3.19Å; E396-K398 WeakPolarHBondContact OE1-CE 3.39Å; E396-K398 IonicContact OE1-NZ 3.11Å; E396-K398 PolarHBondContact OE1-NZ 2.96Å; E396-K398 WeakPolarHBondContact OE2-CD 3.42Å; E396-K398 VanDerWaalsContact OE2-CE 3.22Å; E396-K398 WeakPolarHBondContact OE2-CE 3.32Å; E396-K398 IonicContact OE2-NZ 3.94Å; E396-K398 PolarHBondContact OE2-NZ 2.82Å; K398-G449 CarbonylContact C-O 3.58Å; K398-G449 WeakPolarHBondContact CA-O 3.02Å
399Y91.5Very high90.1Very high30 Ų3066.9 Ų66.912%0.11837%0.369CS..EExtended strand (participates in β ladder)trans-94.9144.2171.9-69.7-88.7000112.1L391 F392 Q393 G449 P451 P465L391-Y399 HydrophobicContact CB-CD1 4.27Å; F392-Y399 WeakPolarHBondContact O-CA 3.47Å; Q393-Y399 HydrophobicContact CB-CD1 4Å; Q393-Y399 HydrophobicContact CB-CE1 3.67Å; Q393-Y399 HydrophobicContact CG-CD1 4.3Å; Q393-Y399 HydrophobicContact CG-CD2 4.47Å; Q393-Y399 HydrophobicContact CG-CE1 3.95Å; Q393-Y399 HydrophobicContact CG-CE2 4.18Å; Q393-Y399 PolarHBondContact OE1-OH 3Å; Y399-G449 PolarHBondContact N-O 3.36Å; Y399-P451 HydrophobicContact CD2-CG 3.55Å; Y399-P451 HydrophobicContact CE2-CG 4.28Å; Y399-P451 HydrophobicContact CG-CG 3.85Å; Y399-P465 HydrophobicContact CD1-CG 3.94Å; Y399-P465 HydrophobicContact CE1-CG 3.54Å; Y399-P465 VanDerWaalsContact CZ-CD 3.47Å; Y399-P465 WeakPolarHBondContact OH-CD 3.37Å
400L90.4Very high90.1Very high83 Ų8367.7 Ų67.744%0.43537%0.365SS..EExtended strand (participates in β ladder)trans-128.5157.5176.1-68.2177.6000111.1L391 F392 T394 S402L391-L400 WeakPolarHBondContact CA-O 3.18Å; F392-L400 HydrophobicContact CD1-CB 4Å; F392-L400 HydrophobicContact CE1-CB 3.48Å; F392-L400 VanDerWaalsContact CE1-CB 3.48Å; F392-L400 HydrophobicContact CE1-CD1 4.26Å; F392-L400 HydrophobicContact CE1-CG 4.5Å; F392-L400 HydrophobicContact CE2-CB 4.45Å; F392-L400 HydrophobicContact CE2-CD1 4.21Å; F392-L400 HydrophobicContact CZ-CB 3.75Å; F392-L400 HydrophobicContact CZ-CD1 3.66Å; F392-L400 HydrophobicContact CZ-CG 4.3Å; F392-L400 PolarHBondContact N-O 3.14Å; F392-L400 PolarHBondContact O-N 2.92Å; T394-L400 HydrophobicContact CG2-CD1 3.55Å; T394-L400 HydrophobicContact CG2-CG 3.99Å; L400-S402 PolarHBondContact O-N 2.95Å
401L90Very high90.1Very high51 Ų5169.5 Ų69.527%0.26737%0.372SS..EExtended strand (participates in β ladder)trans-75.3118.7174.9-90.264.1000110.7F387 L391 K431 L434 M446F387-L401 HydrophobicContact CZ-CD2 4.41Å; F387-L401 HydrophobicContact CZ-CG 4.18Å; L391-L401 HydrophobicContact CD2-CD1 3.92Å; L391-L401 HydrophobicContact CD2-CG 4.17Å; L401-K431 HydrophobicContact CD2-CG 3.96Å; L401-L434 HydrophobicContact CD1-CD1 4.36Å; L401-L434 HydrophobicContact CD2-CD1 4.15Å; L401-M446 HydrophobicContact CD1-CE 4.42Å; L401-M446 HydrophobicContact CD1-CG 3.47Å; L401-M446 VanDerWaalsContact CD1-CG 3.47Å; L401-M446 HydrophobicContact CD1-SD 3.47Å; L401-M446 WeakPolarHBondContact CD1-SD 3.3Å
402S87.9Confident90.2Very high40 Ų4069 Ų6928%0.2837%0.37SS..PPolyproline II helixtrans-82.2164.5155-48.10000111S390 F392 L400S390-S402 WeakPolarHBondContact O-CB 3.21Å; S390-S402 PolarHBondContact O-OG 2.85Å; F392-S402 WeakPolarHBondContact CD1-OG 3.25Å; L400-S402 PolarHBondContact O-N 2.95Å
403D85.1Confident90.5Very high105 Ų10565.5 Ų65.556%0.56136%0.358SS*.PPolyproline II helixtrans-94.2116.5165.7-105.763.2000110.2G405 R409 K431D403-G405 PolarHBondContact O-N 3.27Å; D403-R409 IonicContact OD2-NH2 3.95Å; D403-K431 IonicContact OD1-NZ 2.84Å; D403-K431 PolarHBondContact OD1-NZ 3.34Å; D403-K431 IonicContact OD2-NZ 2.63Å; D403-K431 PolarHBondContact OD2-NZ 2.85Å
404L88.9Confident90.5Very high2 Ų265.6 Ų65.61%0.0136%0.356CS..PPolyproline II helixtrans-51.4126.5172.6-92.381.1000109.8Q386 S390 E408 R409 I412 L427Q386-L404 HydrophobicContact CB-CD2 4.19Å; S390-L404 VanDerWaalsContact CB-CD1 3.46Å; S390-L404 VanDerWaalsContact OG-CD1 3.25Å; S390-L404 WeakPolarHBondContact OG-CD1 3.49Å; L404-E408 WeakPolarHBondContact CA-OE2 3.27Å; L404-E408 HydrophobicContact CD2-CB 4.42Å; L404-R409 HydrophobicContact CB-CG 4.25Å; L404-R409 PolarHBondContact O-NE 3.32Å; L404-R409 PolarHBondContact O-NH2 3.3Å; L404-I412 HydrophobicContact CD2-CD1 3.75Å; L404-L427 HydrophobicContact CB-CD1 4.08Å; L404-L427 HydrophobicContact CD1-CD2 3.99Å; L404-L427 HydrophobicContact CD2-CD1 4.29Å; L404-L427 HydrophobicContact CD2-CD2 4.37Å
405G89Confident90.6Very high22 Ų2265.9 Ų65.923%0.22735%0.354CS..PPolyproline II helixtrans-67.4159.9-177.800000112.6D403 Q407 E408 R409D403-G405 PolarHBondContact O-N 3.27Å; G405-Q407 PolarHBondContact O-N 3.02Å; G405-E408 PolarHBondContact N-OE2 3.5Å; G405-E408 PolarHBondContact O-N 2.83Å; G405-R409 WeakPolarHBondContact O-CG 3.23Å; G405-R409 PolarHBondContact O-N 3.43Å; G405-R409 VanDerWaalsContact O-N 3.09Å
406P91.8Very high90.8Very high101 Ų10159.7 Ų59.766%0.65631%0.311SS*.Hα-helixtrans-55.3-33.9173.4-25.735.2000113M410 M420P406-M410 WeakPolarHBondContact O-CB 3.42Å; P406-M410 PolarHBondContact O-N 2.93Å; P406-M420 WeakPolarHBondContact O-CE 3.38Å
407Q91.5Very high91Very high132 Ų13256.8 Ų56.862%0.61732%0.316SS*.Hα-helixtrans-67-44.5178.1-176174.2-3.200112.8G405 M410 Q411G405-Q407 PolarHBondContact O-N 3.02Å; Q407-M410 WeakPolarHBondContact O-CB 3.37Å; Q407-M410 PolarHBondContact O-N 3.22Å; Q407-Q411 WeakPolarHBondContact O-CG 3.43Å; Q407-Q411 PolarHBondContact O-N 2.84Å
408E91.2Very high91.4Very high70 Ų7056.8 Ų56.833%0.32731%0.309SS..Hα-helixtrans-66.5-44.1177.8-60.5171139.300110.6L404 G405 M410 Q411 I412L404-E408 WeakPolarHBondContact CA-OE2 3.27Å; L404-E408 HydrophobicContact CD2-CB 4.42Å; G405-E408 PolarHBondContact N-OE2 3.5Å; G405-E408 PolarHBondContact O-N 2.83Å; E408-M410 PolarHBondContact O-N 3.34Å; E408-Q411 PolarHBondContact O-N 3.43Å; E408-Q411 VanDerWaalsContact O-N 3.15Å; E408-I412 VanDerWaalsContact O-CG1 3.32Å; E408-I412 WeakPolarHBondContact O-CG1 3.34Å; E408-I412 PolarHBondContact O-N 2.8Å
409R94.3Very high91.6Very high52 Ų5255.8 Ų55.820%0.19631%0.311CS..Hα-helixtrans-58.6-38.2172.7-62.9180-146.9-173.77111.3D403 L404 G405 I412 S413 M420 I423 S424 L427D403-R409 IonicContact OD2-NH2 3.95Å; L404-R409 HydrophobicContact CB-CG 4.25Å; L404-R409 PolarHBondContact O-NE 3.32Å; L404-R409 PolarHBondContact O-NH2 3.3Å; G405-R409 WeakPolarHBondContact O-CG 3.23Å; G405-R409 PolarHBondContact O-N 3.43Å; G405-R409 VanDerWaalsContact O-N 3.09Å; R409-I412 PolarHBondContact O-N 2.88Å; R409-S413 VanDerWaalsContact O-CB 3.28Å; R409-S413 WeakPolarHBondContact O-CB 3.46Å; R409-S413 PolarHBondContact O-N 2.92Å; R409-M420 HydrophobicContact CB-CE 3.74Å; R409-M420 HydrophobicContact CB-SD 3.73Å; R409-I423 HydrophobicContact CB-CG2 4.28Å; R409-I423 HydrophobicContact CG-CG2 4.13Å; R409-I423 WeakPolarHBondContact O-CD1 3.37Å; R409-S424 PolarHBondContact NH1-OG 3.02Å; R409-S424 VanDerWaalsContact NH1-OG 3.1Å; R409-L427 HydrophobicContact CG-CD1 4.06Å
410M93.6Very high91.8Very high95 Ų9557.7 Ų57.747%0.46832%0.322SS..Hα-helixtrans-68.5-38.9175.6178.4175.759.600112.5P406 Q407 E408 S413 K414 M420P406-M410 WeakPolarHBondContact O-CB 3.42Å; P406-M410 PolarHBondContact O-N 2.93Å; Q407-M410 WeakPolarHBondContact O-CB 3.37Å; Q407-M410 PolarHBondContact O-N 3.22Å; E408-M410 PolarHBondContact O-N 3.34Å; M410-S413 WeakPolarHBondContact O-CB 3.36Å; M410-S413 PolarHBondContact O-N 3.5Å; M410-K414 WeakPolarHBondContact O-CG 3.45Å; M410-K414 PolarHBondContact O-N 3.39Å; M410-M420 VanDerWaalsContact CA-SD 3.6Å; M410-M420 HydrophobicContact CB-CE 4.42Å; M410-M420 HydrophobicContact CB-SD 4.16Å; M410-M420 PolarHBondContact N-SD 3.03Å; M410-M420 VanDerWaalsContact N-SD 3.41Å
411Q92.4Very high92Very high49 Ų4957.9 Ų57.923%0.22933%0.326CS..Hα-helixtrans-62.7-45.9173.6-72.8167.9-24.600111.1Q407 E408 S413 K414 F415 M483 T484Q407-Q411 WeakPolarHBondContact O-CG 3.43Å; Q407-Q411 PolarHBondContact O-N 2.84Å; E408-Q411 PolarHBondContact O-N 3.43Å; E408-Q411 VanDerWaalsContact O-N 3.15Å; Q411-S413 VanDerWaalsContact C-N 3.31Å; Q411-S413 PolarHBondContact O-N 3.47Å; Q411-K414 PolarHBondContact O-N 3.24Å; Q411-F415 WeakPolarHBondContact O-CB 3.46Å; Q411-F415 PolarHBondContact O-N 3.16Å; Q411-M483 HydrophobicContact CB-CE 3.81Å; Q411-T484 PolarHBondContact NE2-OG1 3.04Å
412I93.7Very high92.2Very high0 Ų057.9 Ų57.90%033%0.329CS..Hα-helixtrans-59.6-43.2173.7-62.7163.7000110.4L383 Q386 L404 E408 R409 F415 T416 I423 M483L383-I412 HydrophobicContact CD2-CG2 3.93Å; Q386-I412 HydrophobicContact CB-CD1 3.78Å; Q386-I412 HydrophobicContact CB-CG1 4.45Å; Q386-I412 HydrophobicContact CG-CD1 3.81Å; Q386-I412 HydrophobicContact CG-CG1 3.92Å; L404-I412 HydrophobicContact CD2-CD1 3.75Å; E408-I412 VanDerWaalsContact O-CG1 3.32Å; E408-I412 WeakPolarHBondContact O-CG1 3.34Å; E408-I412 PolarHBondContact O-N 2.8Å; R409-I412 PolarHBondContact O-N 2.88Å; I412-F415 PolarHBondContact O-N 3.34Å; I412-T416 HydrophobicContact CG2-CG2 4.19Å; I412-T416 WeakPolarHBondContact O-CB 3.46Å; I412-T416 PolarHBondContact O-N 3.28Å; I412-T416 PolarHBondContact O-OG1 2.93Å; I412-I423 HydrophobicContact CB-CD1 4.06Å; I412-I423 HydrophobicContact CG2-CD1 3.73Å; I412-I423 HydrophobicContact CG2-CG1 4.15Å; I412-M483 HydrophobicContact CG1-CE 4.12Å
413S94.5Very high92.6Very high27 Ų2756 Ų5619%0.18932%0.315CS..Hα-helixtrans-61.4-46.3178.4-1720000112.1R409 M410 Q411 F415 G417 L418R409-S413 VanDerWaalsContact O-CB 3.28Å; R409-S413 WeakPolarHBondContact O-CB 3.46Å; R409-S413 PolarHBondContact O-N 2.92Å; M410-S413 WeakPolarHBondContact O-CB 3.36Å; M410-S413 PolarHBondContact O-N 3.5Å; Q411-S413 VanDerWaalsContact C-N 3.31Å; Q411-S413 PolarHBondContact O-N 3.47Å; S413-F415 PolarHBondContact O-N 2.93Å; S413-G417 WeakPolarHBondContact O-CA 3.38Å; S413-G417 PolarHBondContact O-N 3.11Å; S413-L418 VanDerWaalsContact CA-O 3.31Å; S413-L418 WeakPolarHBondContact CA-O 3.44Å; S413-L418 VanDerWaalsContact CB-O 3.29Å; S413-L418 WeakPolarHBondContact CB-O 3.44Å; S413-L418 PolarHBondContact OG-O 2.84Å
414K92.9Very high93Very high108 Ų10852.5 Ų52.547%0.4730%0.299SS..Hα-helixtrans-61.9-40.1175.2-75.7-172.7170.7-1490113M410 Q411 A487M410-K414 WeakPolarHBondContact O-CG 3.45Å; M410-K414 PolarHBondContact O-N 3.39Å; Q411-K414 PolarHBondContact O-N 3.24Å; K414-A487 HydrophobicContact CB-CB 4.43Å
415F91.9Very high93.3Very high44 Ų4458.9 Ų58.919%0.19333%0.329CS..Hα-helixtrans-79.7-38.7-176.1-170.7-85.9000113.3I382 Q411 I412 S413 F478 M483 M486 A487I382-F415 HydrophobicContact CD1-CD1 3.85Å; I382-F415 HydrophobicContact CD1-CE1 3.62Å; Q411-F415 WeakPolarHBondContact O-CB 3.46Å; Q411-F415 PolarHBondContact O-N 3.16Å; I412-F415 PolarHBondContact O-N 3.34Å; S413-F415 PolarHBondContact O-N 2.93Å; F415-F478 HydrophobicContact CE1-CE1 4.21Å; F415-F478 HydrophobicContact CE1-CE2 4.28Å; F415-F478 AromaticContact CE1-CZ 3.59Å; F415-F478 HydrophobicContact CE1-CZ 3.59Å; F415-F478 HydrophobicContact CE2-CE2 4.4Å; F415-F478 HydrophobicContact CE2-CZ 4.37Å; F415-F478 AromaticContact CZ-CE1 3.85Å; F415-F478 HydrophobicContact CZ-CE1 3.85Å; F415-F478 AromaticContact CZ-CE2 3.8Å; F415-F478 HydrophobicContact CZ-CE2 3.8Å; F415-F478 AromaticContact CZ-CZ 3.37Å; F415-F478 HydrophobicContact CZ-CZ 3.37Å; F415-M483 HydrophobicContact CB-CG 3.89Å; F415-M483 HydrophobicContact CB-SD 4.37Å; F415-M483 HydrophobicContact CD1-CG 4.05Å; F415-M483 HydrophobicContact CD2-CB 4.43Å; F415-M483 HydrophobicContact CD2-CG 3.51Å; F415-M483 WeakPolarHBondContact CD2-O 3.37Å; F415-M483 HydrophobicContact CE2-CG 4.02Å; F415-M483 HydrophobicContact CG-CG 3.53Å; F415-M483 HydrophobicContact CG-SD 4.36Å; F415-M483 HydrophobicContact CZ-CG 4.48Å; F415-M486 HydrophobicContact CE2-CB 3.88Å; F415-A487 HydrophobicContact CB-CB 4.42Å; F415-A487 HydrophobicContact CD2-CB 4.25Å
416T92.8Very high93.6Very high12 Ų1259.2 Ų59.27%0.07432%0.323CS..Hα-helixtrans-99.2-8.3-174.663.20000114.3H379 I382 I412 L418H379-T416 HydrophobicContact CB-CG2 4.38Å; H379-T416 PolarHBondContact CE1-O 2.87Å; I382-T416 HydrophobicContact CB-CG2 4.46Å; I382-T416 HydrophobicContact CD1-CG2 3.98Å; I382-T416 HydrophobicContact CG2-CG2 3.97Å; I412-T416 HydrophobicContact CG2-CG2 4.19Å; I412-T416 WeakPolarHBondContact O-CB 3.46Å; I412-T416 PolarHBondContact O-N 3.28Å; I412-T416 PolarHBondContact O-OG1 2.93Å; T416-L418 PolarHBondContact O-N 3.2Å; T416-L418 VanDerWaalsContact O-N 3.08Å; T416-L418 WeakPolarHBondContact OG1-CB 3.17Å; T416-L418 WeakPolarHBondContact OG1-CG 3.35Å; T416-L418 PolarHBondContact OG1-N 3.44Å
417G92.8Very high93.7Very high69 Ų6954.6 Ų54.671%0.71129%0.293SS*.  trans66.61.1-171.200000114.7S413S413-G417 WeakPolarHBondContact O-CA 3.38Å; S413-G417 PolarHBondContact O-N 3.11Å
418L93.9Very high93.8Very high29 Ų2951 Ų5115%0.15229%0.286CS..  trans-71.1140.3177-64173.7000110.6W375 H379 L383 S413 T416 T422 I423W375-L418 HydrophobicContact CE3-CD1 4.5Å; W375-L418 HydrophobicContact CZ3-CD1 3.92Å; W375-L418 HydrophobicContact CZ3-CD2 4.3Å; H379-L418 HydrophobicContact CB-CD1 4.07Å; L383-L418 HydrophobicContact CD1-CD1 4.03Å; S413-L418 VanDerWaalsContact CA-O 3.31Å; S413-L418 WeakPolarHBondContact CA-O 3.44Å; S413-L418 VanDerWaalsContact CB-O 3.29Å; S413-L418 WeakPolarHBondContact CB-O 3.44Å; S413-L418 PolarHBondContact OG-O 2.84Å; T416-L418 PolarHBondContact O-N 3.2Å; T416-L418 VanDerWaalsContact O-N 3.08Å; T416-L418 WeakPolarHBondContact OG1-CB 3.17Å; T416-L418 WeakPolarHBondContact OG1-CG 3.35Å; T416-L418 PolarHBondContact OG1-N 3.44Å; L418-T422 HydrophobicContact CD2-CG2 4.15Å; L418-I423 HydrophobicContact CB-CD1 4.07Å; L418-I423 HydrophobicContact CB-CG1 3.87Å; L418-I423 HydrophobicContact CD1-CG1 4.4Å
419S94.1Very high93.9Very high50 Ų5052.4 Ų52.435%0.3530%0.296SS..  trans-67.8150175.874.50000112.2T421 T422 I423S419-T421 PolarHBondContact O-N 2.94Å; S419-T421 VanDerWaalsContact O-N 3.15Å; S419-T421 PolarHBondContact OG-OG1 3.46Å; S419-T422 WeakPolarHBondContact O-CA 3.33Å; S419-T422 WeakPolarHBondContact O-CB 3.18Å; S419-T422 PolarHBondContact O-N 3.19Å; S419-T422 WeakPolarHBondContact OG-CB 3.32Å; S419-T422 PolarHBondContact OG-N 3.38Å; S419-T422 PolarHBondContact OG-OG1 3.47Å; S419-I423 WeakPolarHBondContact O-CG1 3.23Å; S419-I423 PolarHBondContact O-N 2.9Å
420M94.6Very high93.9Very high70 Ų7050.3 Ų50.335%0.34529%0.289SS..Hα-helixtrans-52.5-34.8173.6-72.3-69.8-76.900113.4P406 R409 M410 S424P406-M420 WeakPolarHBondContact O-CE 3.38Å; R409-M420 HydrophobicContact CB-CE 3.74Å; R409-M420 HydrophobicContact CB-SD 3.73Å; M410-M420 VanDerWaalsContact CA-SD 3.6Å; M410-M420 HydrophobicContact CB-CE 4.42Å; M410-M420 HydrophobicContact CB-SD 4.16Å; M410-M420 PolarHBondContact N-SD 3.03Å; M410-M420 VanDerWaalsContact N-SD 3.41Å; M420-S424 VanDerWaalsContact O-CB 3.26Å; M420-S424 WeakPolarHBondContact O-CB 3.44Å; M420-S424 PolarHBondContact O-N 2.88Å; M420-S424 PolarHBondContact O-OG 3.3Å
421T94.8Very high93.8Very high87 Ų8746.4 Ų46.453%0.53427%0.269SS..Hα-helixtrans-70.9-43.3174.848.80000112S419 I423 S424 H425S419-T421 PolarHBondContact O-N 2.94Å; S419-T421 VanDerWaalsContact O-N 3.15Å; S419-T421 PolarHBondContact OG-OG1 3.46Å; T421-I423 PolarHBondContact O-N 3.49Å; T421-S424 PolarHBondContact O-N 2.61Å; T421-H425 WeakPolarHBondContact O-CB 3.44Å; T421-H425 PolarHBondContact O-N 3.29Å
422T95Very high93.9Very high51 Ų5150 Ų5031%0.31328%0.282SS..Hα-helixtrans-59.8-45.6175.4-61.20000111.6W375 L418 S419 H425 W426W375-T422 HydrophobicContact CH2-CG2 3.45Å; W375-T422 VanDerWaalsContact CH2-CG2 3.45Å; W375-T422 HydrophobicContact CZ2-CG2 4.3Å; W375-T422 HydrophobicContact CZ3-CG2 3.9Å; L418-T422 HydrophobicContact CD2-CG2 4.15Å; S419-T422 WeakPolarHBondContact O-CA 3.33Å; S419-T422 WeakPolarHBondContact O-CB 3.18Å; S419-T422 PolarHBondContact O-N 3.19Å; S419-T422 WeakPolarHBondContact OG-CB 3.32Å; S419-T422 PolarHBondContact OG-N 3.38Å; S419-T422 PolarHBondContact OG-OG1 3.47Å; T422-H425 PolarHBondContact O-N 3.45Å; T422-W426 PolarHBondContact O-N 2.96Å
423I95.1Very high93.8Very high0 Ų053.5 Ų53.50%030%0.298CS..Hα-helixtrans-63.3-45.9175.7-63.9162.3000110.5L383 R409 I412 L418 S419 T421 H425 W426 L427L383-I423 HydrophobicContact CD2-CG1 4.45Å; L383-I423 HydrophobicContact CD2-CG2 4.03Å; R409-I423 HydrophobicContact CB-CG2 4.28Å; R409-I423 HydrophobicContact CG-CG2 4.13Å; R409-I423 WeakPolarHBondContact O-CD1 3.37Å; I412-I423 HydrophobicContact CB-CD1 4.06Å; I412-I423 HydrophobicContact CG2-CD1 3.73Å; I412-I423 HydrophobicContact CG2-CG1 4.15Å; L418-I423 HydrophobicContact CB-CD1 4.07Å; L418-I423 HydrophobicContact CB-CG1 3.87Å; L418-I423 HydrophobicContact CD1-CG1 4.4Å; S419-I423 WeakPolarHBondContact O-CG1 3.23Å; S419-I423 PolarHBondContact O-N 2.9Å; T421-I423 PolarHBondContact O-N 3.49Å; I423-H425 PolarHBondContact O-N 2.95Å; I423-W426 PolarHBondContact O-N 3.28Å; I423-L427 HydrophobicContact CG2-CD1 4.02Å; I423-L427 WeakPolarHBondContact O-CG 3.46Å; I423-L427 PolarHBondContact O-N 3.5Å
424S94.8Very high93.7Very high32 Ų3252.7 Ų52.722%0.22429%0.292CS..Hα-helixtrans-66.6-35.9-179.7-610000112.8R409 M420 T421 L427 A428R409-S424 PolarHBondContact NH1-OG 3.02Å; R409-S424 VanDerWaalsContact NH1-OG 3.1Å; M420-S424 VanDerWaalsContact O-CB 3.26Å; M420-S424 WeakPolarHBondContact O-CB 3.44Å; M420-S424 PolarHBondContact O-N 2.88Å; M420-S424 PolarHBondContact O-OG 3.3Å; T421-S424 PolarHBondContact O-N 2.61Å; S424-L427 PolarHBondContact O-N 3.26Å; S424-A428 VanDerWaalsContact O-CB 3.3Å; S424-A428 WeakPolarHBondContact O-CB 3.45Å; S424-A428 PolarHBondContact O-N 2.76Å
425H94.6Very high93.5Very high137 Ų13757 Ų5763%0.63431%0.305SS*.Hα-helixtrans-67.5-39.4173.5-69.1173.3000112.2T421 T422 I423 A428 N429T421-H425 WeakPolarHBondContact O-CB 3.44Å; T421-H425 PolarHBondContact O-N 3.29Å; T422-H425 PolarHBondContact O-N 3.45Å; I423-H425 PolarHBondContact O-N 2.95Å; H425-A428 PolarHBondContact O-N 3.17Å; H425-N429 WeakPolarHBondContact O-CB 3.25Å; H425-N429 PolarHBondContact O-N 3.07Å
426W95Very high93.4Very high28 Ų2861.8 Ų61.811%0.10633%0.325CS..Hα-helixtrans-62.3-48.1173.3-176.795.3000111.4W375 L383 Q384 F387 T422 I423 A428 N429 V430 F442W375-W426 HydrophobicContact CH2-CB 3.8Å; W375-W426 AromaticContact CH2-CD1 3.84Å; W375-W426 HydrophobicContact CH2-CG 4.14Å; W375-W426 HydrophobicContact CZ2-CB 4.23Å; W375-W426 AromaticContact CZ2-CD1 3.85Å; W375-W426 HydrophobicContact CZ2-CG 4.44Å; L383-W426 HydrophobicContact CB-CD2 4.22Å; L383-W426 HydrophobicContact CB-CE3 4.05Å; L383-W426 HydrophobicContact CB-CH2 3.68Å; L383-W426 HydrophobicContact CB-CZ2 3.84Å; L383-W426 HydrophobicContact CB-CZ3 3.78Å; L383-W426 HydrophobicContact CD1-CD2 4Å; L383-W426 HydrophobicContact CD1-CE3 4.4Å; L383-W426 HydrophobicContact CD1-CG 4.12Å; L383-W426 HydrophobicContact CD2-CD2 4.44Å; L383-W426 HydrophobicContact CD2-CE3 4.04Å; L383-W426 HydrophobicContact CD2-CZ3 4.37Å; L383-W426 HydrophobicContact CG-CD2 4.47Å; L383-W426 HydrophobicContact CG-CE3 4.41Å; Q384-W426 HydrophobicContact CG-CH2 4.28Å; Q384-W426 HydrophobicContact CG-CZ2 4.19Å; F387-W426 HydrophobicContact CB-CH2 4.32Å; F387-W426 HydrophobicContact CB-CZ3 4.22Å; T422-W426 PolarHBondContact O-N 2.96Å; I423-W426 PolarHBondContact O-N 3.28Å; W426-A428 PolarHBondContact O-N 3.4Å; W426-N429 PolarHBondContact O-N 3.04Å; W426-V430 HydrophobicContact CD2-CG2 4.01Å; W426-V430 HydrophobicContact CE3-CG2 4.04Å; W426-V430 HydrophobicContact CH2-CG2 3.84Å; W426-V430 HydrophobicContact CZ2-CG2 3.81Å; W426-V430 HydrophobicContact CZ3-CG2 3.96Å; W426-V430 WeakPolarHBondContact O-CG2 3.37Å; W426-V430 PolarHBondContact O-N 2.84Å; W426-F442 HydrophobicContact CH2-CE1 4.2Å; W426-F442 HydrophobicContact CH2-CZ 4.12Å; W426-F442 HydrophobicContact CZ2-CE1 4.15Å
427L94.4Very high93.3Very high4 Ų465.8 Ų65.82%0.02135%0.35CS..Hα-helixtrans-59.4-44.1175.7-72.3169.9000112F387 L404 R409 I423 S424 N429 V430 K431F387-L427 HydrophobicContact CD2-CD2 3.9Å; L404-L427 HydrophobicContact CB-CD1 4.08Å; L404-L427 HydrophobicContact CD1-CD2 3.99Å; L404-L427 HydrophobicContact CD2-CD1 4.29Å; L404-L427 HydrophobicContact CD2-CD2 4.37Å; R409-L427 HydrophobicContact CG-CD1 4.06Å; I423-L427 HydrophobicContact CG2-CD1 4.02Å; I423-L427 WeakPolarHBondContact O-CG 3.46Å; I423-L427 PolarHBondContact O-N 3.5Å; S424-L427 PolarHBondContact O-N 3.26Å; L427-N429 VanDerWaalsContact C-N 3.34Å; L427-N429 PolarHBondContact O-N 3.04Å; L427-V430 PolarHBondContact O-N 3.48Å; L427-K431 WeakPolarHBondContact O-CB 3.46Å; L427-K431 VanDerWaalsContact O-CG 3.25Å; L427-K431 WeakPolarHBondContact O-CG 3.31Å; L427-K431 PolarHBondContact O-N 2.98Å
428A93.6Very high92.9Very high58 Ų5863.5 Ų63.548%0.47933%0.326SS..Hα-helixtrans-61.9-40.6176.500000112S424 H425 W426 K431 Y432S424-A428 VanDerWaalsContact O-CB 3.3Å; S424-A428 WeakPolarHBondContact O-CB 3.45Å; S424-A428 PolarHBondContact O-N 2.76Å; H425-A428 PolarHBondContact O-N 3.17Å; W426-A428 PolarHBondContact O-N 3.4Å; A428-K431 PolarHBondContact O-N 3.01Å; A428-Y432 VanDerWaalsContact O-CB 3.31Å; A428-Y432 WeakPolarHBondContact O-CB 3.31Å; A428-Y432 PolarHBondContact O-N 3.27Å
429N93.4Very high92.7Very high99 Ų9962.7 Ų62.753%0.52933%0.325SS..Hα-helixtrans-64.7-46.9175.9-169.1-93.1000111.9H425 W426 L427 K431 Y432 Q433H425-N429 WeakPolarHBondContact O-CB 3.25Å; H425-N429 PolarHBondContact O-N 3.07Å; W426-N429 PolarHBondContact O-N 3.04Å; L427-N429 VanDerWaalsContact C-N 3.34Å; L427-N429 PolarHBondContact O-N 3.04Å; N429-K431 PolarHBondContact O-N 3.46Å; N429-Y432 PolarHBondContact O-N 3Å; N429-Q433 VanDerWaalsContact O-CG 3.25Å; N429-Q433 WeakPolarHBondContact O-CG 3.44Å; N429-Q433 PolarHBondContact O-N 3.45Å
430V93.9Very high92.7Very high8 Ų861.5 Ų61.55%0.04832%0.316CS..Hα-helixtrans-56.8-48.3175.61660000111F387 W426 L427 Q433 L434 T440 F442F387-V430 HydrophobicContact CD1-CG1 4.43Å; F387-V430 HydrophobicContact CD2-CG1 3.99Å; F387-V430 HydrophobicContact CE1-CG1 4.14Å; F387-V430 HydrophobicContact CE2-CG1 3.65Å; F387-V430 HydrophobicContact CG-CG1 4.37Å; F387-V430 HydrophobicContact CZ-CG1 3.73Å; W426-V430 HydrophobicContact CD2-CG2 4.01Å; W426-V430 HydrophobicContact CE3-CG2 4.04Å; W426-V430 HydrophobicContact CH2-CG2 3.84Å; W426-V430 HydrophobicContact CZ2-CG2 3.81Å; W426-V430 HydrophobicContact CZ3-CG2 3.96Å; W426-V430 WeakPolarHBondContact O-CG2 3.37Å; W426-V430 PolarHBondContact O-N 2.84Å; L427-V430 PolarHBondContact O-N 3.48Å; V430-Q433 PolarHBondContact O-N 3.31Å; V430-L434 HydrophobicContact CG1-CD1 3.92Å; V430-L434 WeakPolarHBondContact O-CG 3.38Å; V430-L434 PolarHBondContact O-N 2.92Å; V430-T440 HydrophobicContact CG1-CG2 4.14Å; V430-F442 HydrophobicContact CG1-CE1 4.36Å; V430-F442 HydrophobicContact CG1-CZ 4.04Å; V430-F442 HydrophobicContact CG2-CE1 4.1Å; V430-F442 HydrophobicContact CG2-CZ 4.44Å
431K92.1Very high92.5Very high13 Ų1367.6 Ų67.66%0.05734%0.34CS..Hα-helixtrans-64.5-40.4178.4-68.3178.5-175-171.60112.9F387 L401 D403 L427 A428 N429 L434 R435F387-K431 HydrophobicContact CE2-CG 4.38Å; L401-K431 HydrophobicContact CD2-CG 3.96Å; D403-K431 IonicContact OD1-NZ 2.84Å; D403-K431 PolarHBondContact OD1-NZ 3.34Å; D403-K431 IonicContact OD2-NZ 2.63Å; D403-K431 PolarHBondContact OD2-NZ 2.85Å; L427-K431 WeakPolarHBondContact O-CB 3.46Å; L427-K431 VanDerWaalsContact O-CG 3.25Å; L427-K431 WeakPolarHBondContact O-CG 3.31Å; L427-K431 PolarHBondContact O-N 2.98Å; A428-K431 PolarHBondContact O-N 3.01Å; N429-K431 PolarHBondContact O-N 3.46Å; K431-L434 PolarHBondContact O-N 2.94Å; K431-R435 WeakPolarHBondContact O-CG 3.22Å; K431-R435 PolarHBondContact O-N 3.09Å
432Y93.2Very high92.5Very high125 Ų12564 Ų6449%0.4932%0.317SS..Hα-helixtrans-61-45.8175179.2-94000111.5A428 N429 R435 K436A428-Y432 VanDerWaalsContact O-CB 3.31Å; A428-Y432 WeakPolarHBondContact O-CB 3.31Å; A428-Y432 PolarHBondContact O-N 3.27Å; N429-Y432 PolarHBondContact O-N 3Å; Y432-R435 PolarHBondContact O-N 2.69Å; Y432-K436 HydrophobicContact CE1-CB 4.46Å; Y432-K436 HydrophobicContact CE1-CD 3.57Å; Y432-K436 VanDerWaalsContact O-CB 3.27Å; Y432-K436 WeakPolarHBondContact O-CB 3.43Å; Y432-K436 PolarHBondContact O-N 2.65Å; Y432-K436 WeakPolarHBondContact OH-CD 3.32Å; Y432-K436 PolarHBondContact OH-NZ 3.21Å
433Q92.1Very high92.5Very high72 Ų7261.6 Ų61.634%0.33630%0.303SS..Hα-helixtrans-66.1-39.8179.5-66-73.745.600112.4N429 V430 K436 T437 G439 T440N429-Q433 VanDerWaalsContact O-CG 3.25Å; N429-Q433 WeakPolarHBondContact O-CG 3.44Å; N429-Q433 PolarHBondContact O-N 3.45Å; V430-Q433 PolarHBondContact O-N 3.31Å; Q433-K436 PolarHBondContact O-N 3.11Å; Q433-T437 WeakPolarHBondContact O-CA 3.31Å; Q433-T437 WeakPolarHBondContact O-CB 3.44Å; Q433-T437 PolarHBondContact O-N 3.05Å; Q433-T437 PolarHBondContact O-OG1 3.48Å; Q433-G439 CarbonylContact C-O 3.52Å; Q433-T440 HydrophobicContact CB-CG2 4.11Å
434L91.8Very high92.4Very high11 Ų1166 Ų666%0.05832%0.322CS..Hα-helixtrans-61-45.1174-70.8165.7000111.9F387 L401 V430 K431 G438 T440 L443 M446F387-L434 HydrophobicContact CE1-CD1 3.97Å; F387-L434 HydrophobicContact CZ-CD1 3.54Å; L401-L434 HydrophobicContact CD1-CD1 4.36Å; L401-L434 HydrophobicContact CD2-CD1 4.15Å; V430-L434 HydrophobicContact CG1-CD1 3.92Å; V430-L434 WeakPolarHBondContact O-CG 3.38Å; V430-L434 PolarHBondContact O-N 2.92Å; K431-L434 PolarHBondContact O-N 2.94Å; L434-G438 VanDerWaalsContact O-CA 3.28Å; L434-G438 WeakPolarHBondContact O-CA 3.39Å; L434-G438 PolarHBondContact O-N 2.95Å; L434-G438 VanDerWaalsContact O-N 3.1Å; L434-T440 HydrophobicContact CD1-CG2 4.46Å; L434-T440 HydrophobicContact CD2-CG2 3.95Å; L434-T440 HydrophobicContact CG-CG2 3.79Å; L434-L443 HydrophobicContact CD1-CD2 4.13Å; L434-L443 HydrophobicContact CD2-CB 4.49Å; L434-L443 HydrophobicContact CD2-CD2 3.88Å; L434-L443 HydrophobicContact CD2-CG 3.94Å; L434-M446 HydrophobicContact CD2-CB 4.07Å; L434-M446 HydrophobicContact CD2-CG 4.41Å
435R89.9Confident92.2Very high198 Ų19867 Ų6775%0.74732%0.324SS*.Hα-helixtrans-69.1-36.8177.8-67.8177.4-165.3158.82.1113.5K431 Y432K431-R435 WeakPolarHBondContact O-CG 3.22Å; K431-R435 PolarHBondContact O-N 3.09Å; Y432-R435 PolarHBondContact O-N 2.69Å
436K90.3Very high91.9Very high144 Ų14461.4 Ų61.463%0.62630%0.299SS*.Hα-helixtrans-87.8-31.3-173.5-173.7172-174.91790114.1Y432 Q433Y432-K436 HydrophobicContact CE1-CB 4.46Å; Y432-K436 HydrophobicContact CE1-CD 3.57Å; Y432-K436 VanDerWaalsContact O-CB 3.27Å; Y432-K436 WeakPolarHBondContact O-CB 3.43Å; Y432-K436 PolarHBondContact O-N 2.65Å; Y432-K436 WeakPolarHBondContact OH-CD 3.32Å; Y432-K436 PolarHBondContact OH-NZ 3.21Å; Q433-K436 PolarHBondContact O-N 3.11Å
437T89.8Confident91.5Very high97 Ų9765.1 Ų65.160%0.59532%0.321SS*.Hα-helixtrans-125.5-0.1-168.2-39.20000112.3Q433 G439Q433-T437 WeakPolarHBondContact O-CA 3.31Å; Q433-T437 WeakPolarHBondContact O-CB 3.44Å; Q433-T437 PolarHBondContact O-N 3.05Å; Q433-T437 PolarHBondContact O-OG1 3.48Å; T437-G439 PolarHBondContact O-N 3.47Å; T437-G439 VanDerWaalsContact O-N 3.14Å
438G84.2Confident91.2Very high20 Ų2071 Ų7121%0.20635%0.346CS..SBendtrans68.33.9-174.300000114.5L434 N445L434-G438 VanDerWaalsContact O-CA 3.28Å; L434-G438 WeakPolarHBondContact O-CA 3.39Å; L434-G438 PolarHBondContact O-N 2.95Å; L434-G438 VanDerWaalsContact O-N 3.1Å; G438-N445 PolarHBondContact O-N 3.5Å
439G90.1Very high90.8Very high12 Ų1268.6 Ų68.612%0.12433%0.327CS..BIsolated β-bridgetrans-172.9163.3-171.500000115.6Q433 T437 L443Q433-G439 CarbonylContact C-O 3.52Å; T437-G439 PolarHBondContact O-N 3.47Å; T437-G439 VanDerWaalsContact O-N 3.14Å; G439-L443 CarbonylContact C-O 3.56Å; G439-L443 WeakPolarHBondContact CA-O 3.21Å
440T93.3Very high90.7Very high26 Ų2669.5 Ų69.516%0.1633%0.328CS..  trans-119-171.616776.40000109.6V430 Q433 L434 F442 L443V430-T440 HydrophobicContact CG1-CG2 4.14Å; Q433-T440 HydrophobicContact CB-CG2 4.11Å; L434-T440 HydrophobicContact CD1-CG2 4.46Å; L434-T440 HydrophobicContact CD2-CG2 3.95Å; L434-T440 HydrophobicContact CG-CG2 3.79Å; T440-F442 VanDerWaalsContact C-N 3.25Å; T440-F442 HydrophobicContact CG2-CE1 4.47Å; T440-F442 PolarHBondContact O-N 3.29Å; T440-F442 WeakPolarHBondContact OG1-CD1 3.49Å; T440-F442 WeakPolarHBondContact OG1-CE1 3.44Å; T440-F442 PolarHBondContact OG1-N 3.44Å; T440-L443 PolarHBondContact N-O 2.78Å; T440-L443 PolarHBondContact OG1-N 2.88Å
441K90.8Very high90.7Very high197 Ų19769.2 Ų69.286%0.85733%0.326SS*.SBendtrans-61.9-31.3172.3-65.9-172.9177.1-174.90113.6
442F94.7Very high90.8Very high13 Ų1369.9 Ų69.96%0.05733%0.33CS..SBendtrans-113.6-7.2-169.472.4-93.8000114.3Q384 F387 W426 V430 T440 F453 Y454 Y468Q384-F442 HydrophobicContact CB-CD2 4.33Å; Q384-F442 HydrophobicContact CB-CE2 4.35Å; Q384-F442 HydrophobicContact CG-CB 4.46Å; Q384-F442 HydrophobicContact CG-CD1 3.77Å; Q384-F442 HydrophobicContact CG-CD2 3.87Å; Q384-F442 HydrophobicContact CG-CE1 3.88Å; Q384-F442 HydrophobicContact CG-CE2 3.98Å; Q384-F442 HydrophobicContact CG-CG 3.78Å; Q384-F442 HydrophobicContact CG-CZ 3.99Å; F387-F442 AromaticContact CD1-CE2 3.96Å; F387-F442 HydrophobicContact CD1-CE2 3.96Å; F387-F442 AromaticContact CD1-CZ 3.98Å; F387-F442 HydrophobicContact CD1-CZ 3.98Å; F387-F442 HydrophobicContact CG-CZ 4.39Å; W426-F442 HydrophobicContact CH2-CE1 4.2Å; W426-F442 HydrophobicContact CH2-CZ 4.12Å; W426-F442 HydrophobicContact CZ2-CE1 4.15Å; V430-F442 HydrophobicContact CG1-CE1 4.36Å; V430-F442 HydrophobicContact CG1-CZ 4.04Å; V430-F442 HydrophobicContact CG2-CE1 4.1Å; V430-F442 HydrophobicContact CG2-CZ 4.44Å; T440-F442 VanDerWaalsContact C-N 3.25Å; T440-F442 HydrophobicContact CG2-CE1 4.47Å; T440-F442 PolarHBondContact O-N 3.29Å; T440-F442 WeakPolarHBondContact OG1-CD1 3.49Å; T440-F442 WeakPolarHBondContact OG1-CE1 3.44Å; T440-F442 PolarHBondContact OG1-N 3.44Å; F442-F453 CarbonylContact O-C 3.59Å; F442-F453 WeakPolarHBondContact O-CA 3.16Å; F442-Y454 PolarHBondContact O-N 2.73Å; F442-Y468 HydrophobicContact CD2-CE1 4.41Å
443L94.9Very high90.9Very high0 Ų063.9 Ų63.90%031%0.307CS..EExtended strand (participates in β ladder)trans-147128.5-177.4170.459.1000110.3F387 L391 L434 G439 T440 P451 I452 F453F387-L443 HydrophobicContact CD1-CD2 4.45Å; F387-L443 HydrophobicContact CE1-CD2 3.7Å; L391-L443 HydrophobicContact CD1-CD2 4.25Å; L434-L443 HydrophobicContact CD1-CD2 4.13Å; L434-L443 HydrophobicContact CD2-CB 4.49Å; L434-L443 HydrophobicContact CD2-CD2 3.88Å; L434-L443 HydrophobicContact CD2-CG 3.94Å; G439-L443 CarbonylContact C-O 3.56Å; G439-L443 WeakPolarHBondContact CA-O 3.21Å; T440-L443 PolarHBondContact N-O 2.78Å; T440-L443 PolarHBondContact OG1-N 2.88Å; L443-P451 HydrophobicContact CD1-CB 3.46Å; L443-P451 VanDerWaalsContact CD1-CB 3.46Å; L443-I452 CarbonylContact C-O 3.49Å; L443-I452 WeakPolarHBondContact CA-O 3.41Å; L443-F453 HydrophobicContact CB-CD1 4.49Å; L443-F453 HydrophobicContact CD1-CD1 4Å; L443-F453 HydrophobicContact CD1-CE1 3.88Å; L443-F453 HydrophobicContact CD1-CG 4.46Å; L443-F453 HydrophobicContact CD1-CZ 4.23Å; L443-F453 HydrophobicContact CD2-CE1 4.42Å
444K93.4Very high91.1Very high92 Ų9263.1 Ų63.140%0.430%0.301SS..EExtended strand (participates in β ladder)trans-131.7171.8175.9-54.1-178.9-167.8171.70111M446 I452 Y454K444-M446 PolarHBondContact O-N 2.66Å; K444-I452 PolarHBondContact N-O 3.36Å; K444-I452 PolarHBondContact O-N 2.95Å; K444-Y454 HydrophobicContact CB-CE2 4.09Å; K444-Y454 HydrophobicContact CD-CD2 4.33Å; K444-Y454 HydrophobicContact CD-CE2 3.56Å; K444-Y454 HydrophobicContact CG-CD2 4.25Å; K444-Y454 HydrophobicContact CG-CE2 3.71Å
445N90.5Very high91.3Very high52 Ų5262.8 Ų62.828%0.27830%0.299SS..  trans61.921.7175.3-61.4-16.6000114.9G438 D447 K448 H450 I452G438-N445 PolarHBondContact O-N 3.5Å; N445-D447 VanDerWaalsContact C-N 3.32Å; N445-D447 WeakPolarHBondContact CA-OD1 3.25Å; N445-K448 PolarHBondContact O-N 2.89Å; N445-K448 VanDerWaalsContact O-N 3.12Å; N445-H450 VanDerWaalsContact CB-O 3.3Å; N445-H450 WeakPolarHBondContact CB-O 3.36Å; N445-H450 CarbonylContact O-C 3.57Å; N445-H450 PolarHBondContact O-N 3.38Å; N445-I452 HydrophobicContact CB-CG1 4.46Å; N445-I452 VanDerWaalsContact ND2-CD1 3.29Å; N445-I452 WeakPolarHBondContact ND2-CD1 3.3Å
446M88.7Confident91.3Very high20 Ų2057.7 Ų57.710%0.09929%0.294CS..G310 helixtrans-72.2-28.1177.7174.847.751.500112L391 L401 L434 K444 K448 G449 P451L391-M446 HydrophobicContact CD1-CE 4.26Å; L391-M446 HydrophobicContact CD2-CE 4.3Å; L401-M446 HydrophobicContact CD1-CE 4.42Å; L401-M446 HydrophobicContact CD1-CG 3.47Å; L401-M446 VanDerWaalsContact CD1-CG 3.47Å; L401-M446 HydrophobicContact CD1-SD 3.47Å; L401-M446 WeakPolarHBondContact CD1-SD 3.3Å; L434-M446 HydrophobicContact CD2-CB 4.07Å; L434-M446 HydrophobicContact CD2-CG 4.41Å; K444-M446 PolarHBondContact O-N 2.66Å; M446-K448 PolarHBondContact O-N 3.22Å; M446-G449 PolarHBondContact O-N 3.03Å; M446-G449 VanDerWaalsContact O-N 3.11Å; M446-P451 HydrophobicContact CE-CB 3.75Å; M446-P451 HydrophobicContact CE-CG 4.09Å
447D87.4Confident91.4Very high107 Ų10754.9 Ų54.957%0.57229%0.286SS*.G310 helixtrans-53.3-31.1164.858.9-54000113.1N445N445-D447 VanDerWaalsContact C-N 3.32Å; N445-D447 WeakPolarHBondContact CA-OD1 3.25Å
448K87.3Confident91.6Very high128 Ų12853.2 Ų53.256%0.55728%0.277SS*.G310 helixtrans-93.43.4-178.1-49.8-175.3-178.1171.90113N445 M446 H450N445-K448 PolarHBondContact O-N 2.89Å; N445-K448 VanDerWaalsContact O-N 3.12Å; M446-K448 PolarHBondContact O-N 3.22Å; K448-H450 PolarHBondContact O-N 2.95Å; K448-H450 VanDerWaalsContact O-N 3.12Å; K448-H450 PolarHBondContact O-ND1 3.1Å
449G86Confident92.1Very high7 Ų756.6 Ų56.67%0.07230%0.303CS..THydrogen-bonded Turntrans663.5-17200000114.9K398 Y399 M446 P451K398-G449 CarbonylContact C-O 3.58Å; K398-G449 WeakPolarHBondContact CA-O 3.02Å; Y399-G449 PolarHBondContact N-O 3.36Å; M446-G449 PolarHBondContact O-N 3.03Å; M446-G449 VanDerWaalsContact O-N 3.11Å; G449-P451 VanDerWaalsContact O-CD 3.29Å; G449-P451 WeakPolarHBondContact O-CD 3.37Å
450H89.8Confident92.3Very high117 Ų11758.2 Ų58.254%0.54231%0.313SS..  trans-119.978-173.4-71.985000109.6N445 K448 I452N445-H450 VanDerWaalsContact CB-O 3.3Å; N445-H450 WeakPolarHBondContact CB-O 3.36Å; N445-H450 CarbonylContact O-C 3.57Å; N445-H450 PolarHBondContact O-N 3.38Å; K448-H450 PolarHBondContact O-N 2.95Å; K448-H450 VanDerWaalsContact O-N 3.12Å; K448-H450 PolarHBondContact O-ND1 3.1Å; H450-I452 PolarHBondContact O-N 3.08Å
451P93.6Very high92.5Very high3 Ų361.3 Ų61.32%0.01933%0.326CS..  trans-60.7134.3-174.224.5-34.2000112Y399 L443 M446 G449 F453Y399-P451 HydrophobicContact CD2-CG 3.55Å; Y399-P451 HydrophobicContact CE2-CG 4.28Å; Y399-P451 HydrophobicContact CG-CG 3.85Å; L443-P451 HydrophobicContact CD1-CB 3.46Å; L443-P451 VanDerWaalsContact CD1-CB 3.46Å; M446-P451 HydrophobicContact CE-CB 3.75Å; M446-P451 HydrophobicContact CE-CG 4.09Å; G449-P451 VanDerWaalsContact O-CD 3.29Å; G449-P451 WeakPolarHBondContact O-CD 3.37Å; P451-F453 HydrophobicContact CB-CD2 4.41Å; P451-F453 HydrophobicContact CB-CE2 3.68Å; P451-F453 HydrophobicContact CB-CZ 3.79Å; P451-F453 HydrophobicContact CG-CE2 3.9Å; P451-F453 HydrophobicContact CG-CZ 4.13Å
452I94.5Very high92.7Very high26 Ų2653.7 Ų53.713%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-114.5115165.5-55.6-170000108.2L443 K444 N445 H450 Y454 Q461L443-I452 CarbonylContact C-O 3.49Å; L443-I452 WeakPolarHBondContact CA-O 3.41Å; K444-I452 PolarHBondContact N-O 3.36Å; K444-I452 PolarHBondContact O-N 2.95Å; N445-I452 HydrophobicContact CB-CG1 4.46Å; N445-I452 VanDerWaalsContact ND2-CD1 3.29Å; N445-I452 WeakPolarHBondContact ND2-CD1 3.3Å; H450-I452 PolarHBondContact O-N 3.08Å; I452-Y454 HydrophobicContact CB-CE2 4.06Å; I452-Y454 HydrophobicContact CG2-CD2 4.32Å; I452-Y454 HydrophobicContact CG2-CE1 4.42Å; I452-Y454 HydrophobicContact CG2-CE2 3.56Å; I452-Y454 WeakPolarHBondContact O-CD2 3.36Å; I452-Y454 WeakPolarHBondContact O-CE2 3.41Å; I452-Q461 VanDerWaalsContact CG2-CD 3.44Å; I452-Q461 HydrophobicContact CG2-CG 3.29Å
453F96.3Very high92.7Very high0 Ų061.7 Ų61.70%032%0.322CS..EExtended strand (participates in β ladder)trans-91.1149.4177.5-53-93.6000110.9A388 L391 F442 L443 P451 Q461 F462 P465 Y468A388-F453 HydrophobicContact CB-CD1 4.43Å; A388-F453 HydrophobicContact CB-CE1 3.84Å; A388-F453 HydrophobicContact CB-CZ 4.45Å; L391-F453 HydrophobicContact CD1-CE1 3.79Å; L391-F453 HydrophobicContact CD1-CZ 3.63Å; F442-F453 CarbonylContact O-C 3.59Å; F442-F453 WeakPolarHBondContact O-CA 3.16Å; L443-F453 HydrophobicContact CB-CD1 4.49Å; L443-F453 HydrophobicContact CD1-CD1 4Å; L443-F453 HydrophobicContact CD1-CE1 3.88Å; L443-F453 HydrophobicContact CD1-CG 4.46Å; L443-F453 HydrophobicContact CD1-CZ 4.23Å; L443-F453 HydrophobicContact CD2-CE1 4.42Å; P451-F453 HydrophobicContact CB-CD2 4.41Å; P451-F453 HydrophobicContact CB-CE2 3.68Å; P451-F453 HydrophobicContact CB-CZ 3.79Å; P451-F453 HydrophobicContact CG-CE2 3.9Å; P451-F453 HydrophobicContact CG-CZ 4.13Å; F453-Q461 WeakPolarHBondContact O-CA 3.46Å; F453-F462 HydrophobicContact CB-CB 4.29Å; F453-F462 PolarHBondContact N-O 2.66Å; F453-F462 PolarHBondContact O-N 2.76Å; F453-P465 HydrophobicContact CE2-CB 4.38Å; F453-P465 HydrophobicContact CE2-CG 4.07Å; F453-P465 HydrophobicContact CZ-CB 4.1Å; F453-P465 HydrophobicContact CZ-CG 3.88Å; F453-Y468 HydrophobicContact CB-CD1 3.78Å; F453-Y468 HydrophobicContact CB-CD2 3.58Å; F453-Y468 HydrophobicContact CB-CE1 4.12Å; F453-Y468 HydrophobicContact CB-CE2 3.93Å; F453-Y468 HydrophobicContact CB-CG 3.49Å; F453-Y468 VanDerWaalsContact CB-CG 3.49Å; F453-Y468 AromaticContact CD1-CD1 3.47Å; F453-Y468 HydrophobicContact CD1-CD1 3.47Å; F453-Y468 VanDerWaalsContact CD1-CD1 3.47Å; F453-Y468 AromaticContact CD1-CE1 3.82Å; F453-Y468 HydrophobicContact CD1-CE1 3.82Å; F453-Y468 HydrophobicContact CD1-CG 4.02Å; F453-Y468 HydrophobicContact CD2-CG 4.47Å; F453-Y468 HydrophobicContact CE1-CD1 4.23Å; F453-Y468 AromaticContact CG-CD1 3.73Å; F453-Y468 HydrophobicContact CG-CD1 3.73Å; F453-Y468 HydrophobicContact CG-CD2 4.36Å; F453-Y468 HydrophobicContact CG-CE1 4.29Å; F453-Y468 AromaticContact CG-CG 3.76Å; F453-Y468 HydrophobicContact CG-CG 3.76Å
454Y96.4Very high92.6Very high56 Ų5664.1 Ų64.122%0.2234%0.337CS..EExtended strand (participates in β ladder)trans-134.6124.3-179.8-63.1-95.9000109.7F442 K444 I452 S460 Q461 Y468F442-Y454 PolarHBondContact O-N 2.73Å; K444-Y454 HydrophobicContact CB-CE2 4.09Å; K444-Y454 HydrophobicContact CD-CD2 4.33Å; K444-Y454 HydrophobicContact CD-CE2 3.56Å; K444-Y454 HydrophobicContact CG-CD2 4.25Å; K444-Y454 HydrophobicContact CG-CE2 3.71Å; I452-Y454 HydrophobicContact CB-CE2 4.06Å; I452-Y454 HydrophobicContact CG2-CD2 4.32Å; I452-Y454 HydrophobicContact CG2-CE1 4.42Å; I452-Y454 HydrophobicContact CG2-CE2 3.56Å; I452-Y454 WeakPolarHBondContact O-CD2 3.36Å; I452-Y454 WeakPolarHBondContact O-CE2 3.41Å; Y454-S460 WeakPolarHBondContact CA-O 3.13Å; Y454-Q461 HydrophobicContact CD1-CB 4.48Å; Y454-Q461 HydrophobicContact CD1-CG 4.4Å; Y454-Q461 HydrophobicContact CE1-CB 4.42Å; Y454-Q461 HydrophobicContact CE1-CG 4.04Å; Y454-Y468 PolarHBondContact O-OH 3.31Å
455C95.2Very high92.6Very high3 Ų360.2 Ų60.22%0.0232%0.321CS..  trans-83.7128.8166.9-178.60000109.6D457 A459 S460 F462 Y468 H471 H475C455-D457 VanDerWaalsContact C-N 3.27Å; C455-D457 PolarHBondContact O-N 2.76Å; C455-D457 PolarHBondContact SG-N 2.96Å; C455-A459 VanDerWaalsContact O-CA 3.23Å; C455-A459 WeakPolarHBondContact O-CA 3.32Å; C455-A459 PolarHBondContact O-N 2.99Å; C455-A459 VanDerWaalsContact O-N 3.16Å; C455-S460 PolarHBondContact N-O 3.26Å; C455-F462 HydrophobicContact CB-CE2 4.41Å; C455-Y468 HydrophobicContact CB-CE2 4.37Å; C455-H471 VanDerWaalsContact CB-NE2 3.27Å; C455-H471 WeakPolarHBondContact CB-NE2 3.49Å; C455-H471 PolarHBondContact SG-NE2 3.33Å; C455-H471 VanDerWaalsContact SG-NE2 3.37Å; C455-H475 PolarHBondContact SG-NE2 3.41Å
456S90.8Very high92.8Very high91 Ų9161.5 Ų61.564%0.63634%0.335SS*.SBendtrans-66.4-30.7173.640.20000113
457D92.4Very high93.2Very high86 Ų8663.7 Ų63.746%0.4635%0.349SS..SBendtrans-92.7-29-161.1-55.66.4000111.1C455 H475C455-D457 VanDerWaalsContact C-N 3.27Å; C455-D457 PolarHBondContact O-N 2.76Å; C455-D457 PolarHBondContact SG-N 2.96Å; D457-H475 WeakPolarHBondContact CB-CE1 3.48Å
458C94.1Very high93.6Very high61 Ų6158.6 Ų58.641%0.41232%0.322SS..SBendtrans-1116.3171.5-71.60000114.1S460 H475C458-S460 PolarHBondContact O-N 2.99Å; C458-S460 PolarHBondContact O-OG 2.83Å; C458-H475 VanDerWaalsContact CB-NE2 3.32Å; C458-H475 WeakPolarHBondContact CB-NE2 3.4Å; C458-H475 PolarHBondContact SG-CE1 3.47Å; C458-H475 PolarHBondContact SG-NE2 3.15Å
459A94.1Very high94Very high91 Ų9153.6 Ų53.675%0.75230%0.301SS*.  trans50.316.3-171.900000115.4C455C455-A459 VanDerWaalsContact O-CA 3.23Å; C455-A459 WeakPolarHBondContact O-CA 3.32Å; C455-A459 PolarHBondContact O-N 2.99Å; C455-A459 VanDerWaalsContact O-N 3.16Å
460S95.3Very high94.5Very high46 Ų4656.6 Ų56.632%0.32232%0.321SS..  trans-87.1144.9-166.4-67.60000112.3Y454 C455 C458Y454-S460 WeakPolarHBondContact CA-O 3.13Å; C455-S460 PolarHBondContact N-O 3.26Å; C458-S460 PolarHBondContact O-N 2.99Å; C458-S460 PolarHBondContact O-OG 2.83Å
461Q96.3Very high94.9Very high92 Ų9252.4 Ų52.443%0.4330%0.301SS..EExtended strand (participates in β ladder)trans-108.8135.5-176.7-172.4-174.4114.900111.7I452 F453 Y454I452-Q461 VanDerWaalsContact CG2-CD 3.44Å; I452-Q461 HydrophobicContact CG2-CG 3.29Å; F453-Q461 WeakPolarHBondContact O-CA 3.46Å; Y454-Q461 HydrophobicContact CD1-CB 4.48Å; Y454-Q461 HydrophobicContact CD1-CG 4.4Å; Y454-Q461 HydrophobicContact CE1-CB 4.42Å; Y454-Q461 HydrophobicContact CE1-CG 4.04Å
462F96Very high95Very high37 Ų3752.3 Ų52.316%0.16230%0.3CS..EExtended strand (participates in β ladder)trans-132149.7-179.6-53.9-96.1000110.9F453 C455 Y468 H471F453-F462 HydrophobicContact CB-CB 4.29Å; F453-F462 PolarHBondContact N-O 2.66Å; F453-F462 PolarHBondContact O-N 2.76Å; C455-F462 HydrophobicContact CB-CE2 4.41Å; F462-Y468 HydrophobicContact CB-CD2 4.4Å; F462-Y468 AromaticContact CD2-CD2 3.61Å; F462-Y468 HydrophobicContact CD2-CD2 3.61Å; F462-Y468 HydrophobicContact CD2-CE2 4.36Å; F462-Y468 HydrophobicContact CE2-CD2 4.17Å; F462-Y468 HydrophobicContact CG-CD2 4.14Å; F462-H471 HydrophobicContact CE1-CB 3.81Å; F462-H471 HydrophobicContact CE2-CB 4.26Å; F462-H471 AromaticContact CE2-CD2 3.31Å; F462-H471 WeakPolarHBondContact CE2-CD2 3.39Å; F462-H471 AromaticContact CE2-CG 3.86Å; F462-H471 AromaticContact CE2-NE2 3.85Å; F462-H471 HydrophobicContact CZ-CB 3.6Å; F462-H471 AromaticContact CZ-CD2 3.26Å; F462-H471 WeakPolarHBondContact CZ-CD2 3.24Å; F462-H471 AromaticContact CZ-CG 3.31Å; F462-H471 AromaticContact CZ-ND1 3.89Å; F462-H471 AromaticContact CZ-NE2 3.8Å
463R93.8Very high95Very high180 Ų18052.5 Ų52.568%0.67930%0.301SS*.SBendtrans-115.4-5.7-177.5-64.1-175.6-173.7137.17.1114.7
464T93Very high95Very high51 Ų5156.6 Ų56.631%0.31333%0.33SS..SBendtrans-126.1142.317558.10000109.7S466 T467 Y468T464-S466 VanDerWaalsContact C-N 3.26Å; T464-S466 PolarHBondContact O-N 3.19Å; T464-T467 PolarHBondContact O-N 2.83Å; T464-T467 PolarHBondContact O-OG1 2.9Å; T464-T467 VanDerWaalsContact O-OG1 3.11Å; T464-T467 WeakPolarHBondContact OG1-CG2 3.39Å; T464-T467 PolarHBondContact OG1-OG1 2.72Å; T464-Y468 PolarHBondContact O-N 2.89Å
465P94.1Very high94.9Very high10 Ų1057.5 Ų57.57%0.06534%0.336CS..Hα-helixtrans-59.6-38.1178.9-21.330.5000112.3A388 Y399 F453 T467 Y468 I469A388-P465 HydrophobicContact CB-CB 4.43Å; Y399-P465 HydrophobicContact CD1-CG 3.94Å; Y399-P465 HydrophobicContact CE1-CG 3.54Å; Y399-P465 VanDerWaalsContact CZ-CD 3.47Å; Y399-P465 WeakPolarHBondContact OH-CD 3.37Å; F453-P465 HydrophobicContact CE2-CB 4.38Å; F453-P465 HydrophobicContact CE2-CG 4.07Å; F453-P465 HydrophobicContact CZ-CB 4.1Å; F453-P465 HydrophobicContact CZ-CG 3.88Å; P465-T467 PolarHBondContact O-N 2.76Å; P465-Y468 PolarHBondContact O-N 3.47Å; P465-I469 HydrophobicContact CB-CD1 4.37Å; P465-I469 WeakPolarHBondContact O-CB 3.34Å; P465-I469 WeakPolarHBondContact O-CD1 3.26Å; P465-I469 WeakPolarHBondContact O-CG1 3.41Å; P465-I469 PolarHBondContact O-N 2.86Å
466S94.3Very high94.9Very high80 Ų8058.5 Ų58.556%0.55934%0.341SS*.Hα-helixtrans-62.1-43.4-178.650.70000113.6T464 S470T464-S466 VanDerWaalsContact C-N 3.26Å; T464-S466 PolarHBondContact O-N 3.19Å; S466-S470 WeakPolarHBondContact O-CB 3.44Å; S466-S470 PolarHBondContact O-N 2.93Å
467T96.1Very high95Very high66 Ų6657.7 Ų57.741%0.40535%0.347SS..Hα-helixtrans-69.8-36.6176.756.30000111.7T464 P465 H471T464-T467 PolarHBondContact O-N 2.83Å; T464-T467 PolarHBondContact O-OG1 2.9Å; T464-T467 VanDerWaalsContact O-OG1 3.11Å; T464-T467 WeakPolarHBondContact OG1-CG2 3.39Å; T464-T467 PolarHBondContact OG1-OG1 2.72Å; P465-T467 PolarHBondContact O-N 2.76Å; T467-H471 WeakPolarHBondContact O-CB 3.06Å; T467-H471 PolarHBondContact O-N 3.1Å
468Y96.8Very high95.1Very high0 Ų056.2 Ų56.20%034%0.336CS..Hα-helixtrans-65.3-45174.2-176-121.5000112.3Q384 A388 F442 F453 Y454 C455 F462 T464 P465 H471 L472Q384-Y468 HydrophobicContact CB-CE1 4.5Å; Q384-Y468 PolarHBondContact OE1-OH 3Å; Q384-Y468 VanDerWaalsContact OE1-OH 3.05Å; A388-Y468 HydrophobicContact CB-CD1 4Å; A388-Y468 HydrophobicContact CB-CE1 4.49Å; F442-Y468 HydrophobicContact CD2-CE1 4.41Å; F453-Y468 HydrophobicContact CB-CD1 3.78Å; F453-Y468 HydrophobicContact CB-CD2 3.58Å; F453-Y468 HydrophobicContact CB-CE1 4.12Å; F453-Y468 HydrophobicContact CB-CE2 3.93Å; F453-Y468 HydrophobicContact CB-CG 3.49Å; F453-Y468 VanDerWaalsContact CB-CG 3.49Å; F453-Y468 AromaticContact CD1-CD1 3.47Å; F453-Y468 HydrophobicContact CD1-CD1 3.47Å; F453-Y468 VanDerWaalsContact CD1-CD1 3.47Å; F453-Y468 AromaticContact CD1-CE1 3.82Å; F453-Y468 HydrophobicContact CD1-CE1 3.82Å; F453-Y468 HydrophobicContact CD1-CG 4.02Å; F453-Y468 HydrophobicContact CD2-CG 4.47Å; F453-Y468 HydrophobicContact CE1-CD1 4.23Å; F453-Y468 AromaticContact CG-CD1 3.73Å; F453-Y468 HydrophobicContact CG-CD1 3.73Å; F453-Y468 HydrophobicContact CG-CD2 4.36Å; F453-Y468 HydrophobicContact CG-CE1 4.29Å; F453-Y468 AromaticContact CG-CG 3.76Å; F453-Y468 HydrophobicContact CG-CG 3.76Å; Y454-Y468 PolarHBondContact O-OH 3.31Å; C455-Y468 HydrophobicContact CB-CE2 4.37Å; F462-Y468 HydrophobicContact CB-CD2 4.4Å; F462-Y468 AromaticContact CD2-CD2 3.61Å; F462-Y468 HydrophobicContact CD2-CD2 3.61Å; F462-Y468 HydrophobicContact CD2-CE2 4.36Å; F462-Y468 HydrophobicContact CE2-CD2 4.17Å; F462-Y468 HydrophobicContact CG-CD2 4.14Å; T464-Y468 PolarHBondContact O-N 2.89Å; P465-Y468 PolarHBondContact O-N 3.47Å; Y468-H471 WeakPolarHBondContact O-CB 3.33Å; Y468-H471 PolarHBondContact O-N 2.87Å; Y468-L472 HydrophobicContact CD1-CD1 4.14Å; Y468-L472 HydrophobicContact CE1-CD1 3.6Å; Y468-L472 HydrophobicContact CE1-CG 4.3Å; Y468-L472 HydrophobicContact CE2-CD1 4.37Å; Y468-L472 HydrophobicContact CE2-CD2 4.24Å; Y468-L472 HydrophobicContact CE2-CG 4.25Å; Y468-L472 WeakPolarHBondContact O-CG 3.29Å; Y468-L472 PolarHBondContact O-N 3Å
469I96Very high95.1Very high22 Ų2257.9 Ų57.911%0.11334%0.338CS..Hα-helixtrans-61.5-48177.3-68157.9000110.3A388 P465 H471 L472 E473 M480A388-I469 HydrophobicContact CB-CD1 4.2Å; A388-I469 HydrophobicContact CB-CG1 4.01Å; P465-I469 HydrophobicContact CB-CD1 4.37Å; P465-I469 WeakPolarHBondContact O-CB 3.34Å; P465-I469 WeakPolarHBondContact O-CD1 3.26Å; P465-I469 WeakPolarHBondContact O-CG1 3.41Å; P465-I469 PolarHBondContact O-N 2.86Å; I469-H471 VanDerWaalsContact C-N 3.26Å; I469-H471 PolarHBondContact O-N 3.48Å; I469-L472 CarbonylContact O-C 3.54Å; I469-L472 WeakPolarHBondContact O-CA 3.46Å; I469-L472 PolarHBondContact O-N 3.44Å; I469-E473 HydrophobicContact CG2-CG 4.31Å; I469-E473 WeakPolarHBondContact O-CG 3.5Å; I469-E473 PolarHBondContact O-N 3.36Å; I469-M480 HydrophobicContact CG2-CG 3.96Å
470S96.4Very high94.9Very high70 Ų7054.4 Ų54.449%0.4931%0.307SS..Hα-helixtrans-61.4-34.2178.1-173.70000112.8S466 E473 S474S466-S470 WeakPolarHBondContact O-CB 3.44Å; S466-S470 PolarHBondContact O-N 2.93Å; S470-E473 PolarHBondContact O-N 3.1Å; S470-S474 PolarHBondContact O-N 2.88Å; S470-S474 VanDerWaalsContact O-N 3.14Å
471H96.9Very high94.6Very high30 Ų3060.5 Ų60.514%0.13933%0.327CS..Hα-helixtrans-66.1-42170.2175.660.1000112.6C455 F462 T467 Y468 I469 E473 S474 H475C455-H471 VanDerWaalsContact CB-NE2 3.27Å; C455-H471 WeakPolarHBondContact CB-NE2 3.49Å; C455-H471 PolarHBondContact SG-NE2 3.33Å; C455-H471 VanDerWaalsContact SG-NE2 3.37Å; F462-H471 HydrophobicContact CE1-CB 3.81Å; F462-H471 HydrophobicContact CE2-CB 4.26Å; F462-H471 AromaticContact CE2-CD2 3.31Å; F462-H471 WeakPolarHBondContact CE2-CD2 3.39Å; F462-H471 AromaticContact CE2-CG 3.86Å; F462-H471 AromaticContact CE2-NE2 3.85Å; F462-H471 HydrophobicContact CZ-CB 3.6Å; F462-H471 AromaticContact CZ-CD2 3.26Å; F462-H471 WeakPolarHBondContact CZ-CD2 3.24Å; F462-H471 AromaticContact CZ-CG 3.31Å; F462-H471 AromaticContact CZ-ND1 3.89Å; F462-H471 AromaticContact CZ-NE2 3.8Å; T467-H471 WeakPolarHBondContact O-CB 3.06Å; T467-H471 PolarHBondContact O-N 3.1Å; Y468-H471 WeakPolarHBondContact O-CB 3.33Å; Y468-H471 PolarHBondContact O-N 2.87Å; I469-H471 VanDerWaalsContact C-N 3.26Å; I469-H471 PolarHBondContact O-N 3.48Å; H471-E473 VanDerWaalsContact C-N 3.34Å; H471-S474 PolarHBondContact O-N 2.64Å; H471-S474 PolarHBondContact O-OG 2.86Å; H471-H475 AromaticContact CD2-NE2 3.6Å; H471-H475 AromaticContact CE1-CD2 3.65Å; H471-H475 AromaticContact CE1-NE2 2.52Å; H471-H475 PolarHBondContact CE1-NE2 2.94Å; H471-H475 AromaticContact ND1-NE2 3.56Å; H471-H475 AromaticContact NE2-CD2 3.71Å; H471-H475 AromaticContact NE2-NE2 2.51Å; H471-H475 PolarHBondContact NE2-NE2 3.33Å; H471-H475 PolarHBondContact O-CD2 2.9Å; H471-H475 PolarHBondContact O-N 3.5Å
472L96.3Very high94.3Very high0 Ų058.6 Ų58.60%032%0.32CS..Hα-helixtrans-66-34.4174.4-65.9-173.8000112.6L381 Q384 A385 Y468 I469 S474 H475 L476L381-L472 HydrophobicContact CD2-CD2 4.03Å; Q384-L472 HydrophobicContact CB-CD1 3.96Å; A385-L472 HydrophobicContact CB-CB 4.29Å; A385-L472 HydrophobicContact CB-CD1 3.8Å; Y468-L472 HydrophobicContact CD1-CD1 4.14Å; Y468-L472 HydrophobicContact CE1-CD1 3.6Å; Y468-L472 HydrophobicContact CE1-CG 4.3Å; Y468-L472 HydrophobicContact CE2-CD1 4.37Å; Y468-L472 HydrophobicContact CE2-CD2 4.24Å; Y468-L472 HydrophobicContact CE2-CG 4.25Å; Y468-L472 WeakPolarHBondContact O-CG 3.29Å; Y468-L472 PolarHBondContact O-N 3Å; I469-L472 CarbonylContact O-C 3.54Å; I469-L472 WeakPolarHBondContact O-CA 3.46Å; I469-L472 PolarHBondContact O-N 3.44Å; L472-S474 VanDerWaalsContact C-N 3.28Å; L472-S474 PolarHBondContact O-N 3.29Å; L472-H475 PolarHBondContact O-N 2.94Å; L472-L476 WeakPolarHBondContact O-CB 3.46Å; L472-L476 WeakPolarHBondContact O-CG 3.34Å; L472-L476 PolarHBondContact O-N 3.2Å
473E95.2Very high93.8Very high31 Ų3156.9 Ų56.915%0.14531%0.312CS..Hα-helixtrans-60.9-37.2171.6-69.5174.6152.300111.4I469 S470 H471 H475 L476 G477 F478 Q479 M480I469-E473 HydrophobicContact CG2-CG 4.31Å; I469-E473 WeakPolarHBondContact O-CG 3.5Å; I469-E473 PolarHBondContact O-N 3.36Å; S470-E473 PolarHBondContact O-N 3.1Å; H471-E473 VanDerWaalsContact C-N 3.34Å; E473-H475 PolarHBondContact O-N 3.15Å; E473-L476 PolarHBondContact O-N 3.19Å; E473-G477 PolarHBondContact O-N 3.09Å; E473-F478 WeakPolarHBondContact CB-O 3.31Å; E473-F478 PolarHBondContact O-N 3.23Å; E473-Q479 WeakPolarHBondContact OE1-CA 3.43Å; E473-M480 HydrophobicContact CG-CG 3.78Å; E473-M480 PolarHBondContact OE1-N 2.97Å
474S95.9Very high93.2Very high86 Ų8651.5 Ų51.560%0.60130%0.3SS*.Hα-helixtrans-68.1-30.6174.777.40000113.8S470 H471 L472S470-S474 PolarHBondContact O-N 2.88Å; S470-S474 VanDerWaalsContact O-N 3.14Å; H471-S474 PolarHBondContact O-N 2.64Å; H471-S474 PolarHBondContact O-OG 2.86Å; L472-S474 VanDerWaalsContact C-N 3.28Å; L472-S474 PolarHBondContact O-N 3.29Å
475H94.4Very high92.7Very high74 Ų7455.5 Ų55.534%0.34331%0.309SS..Hα-helixtrans-75.9-29.9171.4-80.1-77.9000113.1L381 C455 D457 C458 H471 L472 E473L381-H475 HydrophobicContact CD1-CB 3.63Å; C455-H475 PolarHBondContact SG-NE2 3.41Å; D457-H475 WeakPolarHBondContact CB-CE1 3.48Å; C458-H475 VanDerWaalsContact CB-NE2 3.32Å; C458-H475 WeakPolarHBondContact CB-NE2 3.4Å; C458-H475 PolarHBondContact SG-CE1 3.47Å; C458-H475 PolarHBondContact SG-NE2 3.15Å; H471-H475 AromaticContact CD2-NE2 3.6Å; H471-H475 AromaticContact CE1-CD2 3.65Å; H471-H475 AromaticContact CE1-NE2 2.52Å; H471-H475 PolarHBondContact CE1-NE2 2.94Å; H471-H475 AromaticContact ND1-NE2 3.56Å; H471-H475 AromaticContact NE2-CD2 3.71Å; H471-H475 AromaticContact NE2-NE2 2.51Å; H471-H475 PolarHBondContact NE2-NE2 3.33Å; H471-H475 PolarHBondContact O-CD2 2.9Å; H471-H475 PolarHBondContact O-N 3.5Å; L472-H475 PolarHBondContact O-N 2.94Å; E473-H475 PolarHBondContact O-N 3.15Å
476L94.1Very high92Very high25 Ų2558.1 Ų58.113%0.13132%0.321CS..Hα-helixtrans-86.6-23.8-179.2-74170.2000113.3Q378 L381 I382 L472 E473 F478 M480Q378-L476 HydrophobicContact CB-CD2 4.34Å; L381-L476 HydrophobicContact CB-CD1 4.31Å; L381-L476 HydrophobicContact CB-CD2 4.15Å; L381-L476 HydrophobicContact CB-CG 4.24Å; I382-L476 HydrophobicContact CD1-CD2 4.27Å; I382-L476 HydrophobicContact CG1-CD1 3.81Å; I382-L476 HydrophobicContact CG1-CD2 3.93Å; L472-L476 WeakPolarHBondContact O-CB 3.46Å; L472-L476 WeakPolarHBondContact O-CG 3.34Å; L472-L476 PolarHBondContact O-N 3.2Å; E473-L476 PolarHBondContact O-N 3.19Å; L476-F478 VanDerWaalsContact C-N 3.31Å; L476-F478 HydrophobicContact CB-CD1 3.95Å; L476-F478 HydrophobicContact CB-CE1 3.72Å; L476-F478 HydrophobicContact CB-CZ 4.22Å; L476-F478 HydrophobicContact CD1-CZ 4.21Å; L476-F478 HydrophobicContact CD2-CE1 4.19Å; L476-F478 HydrophobicContact CD2-CZ 4.44Å; L476-F478 HydrophobicContact CG-CE1 4.36Å; L476-F478 VanDerWaalsContact O-CD1 3.31Å; L476-F478 WeakPolarHBondContact O-CD1 3.28Å; L476-M480 HydrophobicContact CD1-SD 3.71Å
477G93.9Very high91.2Very high74 Ų7454.6 Ų54.676%0.76330%0.297SS*.THydrogen-bonded Turntrans78.18.9-176.900000114.7E473E473-G477 PolarHBondContact O-N 3.09Å
478F93.9Very high90.1Very high54 Ų5454 Ų5424%0.23730%0.299CS..SBendtrans-149.2156.8178.167.7-90.9000111.5I382 F415 E473 L476 M483I382-F478 HydrophobicContact CD1-CZ 4.28Å; I382-F478 HydrophobicContact CG1-CZ 4.32Å; F415-F478 HydrophobicContact CE1-CE1 4.21Å; F415-F478 HydrophobicContact CE1-CE2 4.28Å; F415-F478 AromaticContact CE1-CZ 3.59Å; F415-F478 HydrophobicContact CE1-CZ 3.59Å; F415-F478 HydrophobicContact CE2-CE2 4.4Å; F415-F478 HydrophobicContact CE2-CZ 4.37Å; F415-F478 AromaticContact CZ-CE1 3.85Å; F415-F478 HydrophobicContact CZ-CE1 3.85Å; F415-F478 AromaticContact CZ-CE2 3.8Å; F415-F478 HydrophobicContact CZ-CE2 3.8Å; F415-F478 AromaticContact CZ-CZ 3.37Å; F415-F478 HydrophobicContact CZ-CZ 3.37Å; E473-F478 WeakPolarHBondContact CB-O 3.31Å; E473-F478 PolarHBondContact O-N 3.23Å; L476-F478 VanDerWaalsContact C-N 3.31Å; L476-F478 HydrophobicContact CB-CD1 3.95Å; L476-F478 HydrophobicContact CB-CE1 3.72Å; L476-F478 HydrophobicContact CB-CZ 4.22Å; L476-F478 HydrophobicContact CD1-CZ 4.21Å; L476-F478 HydrophobicContact CD2-CE1 4.19Å; L476-F478 HydrophobicContact CD2-CZ 4.44Å; L476-F478 HydrophobicContact CG-CE1 4.36Å; L476-F478 VanDerWaalsContact O-CD1 3.31Å; L476-F478 WeakPolarHBondContact O-CD1 3.28Å; F478-M483 HydrophobicContact CE2-CB 4.4Å
479Q93.4Very high88.8Confident97 Ų9757.3 Ų57.345%0.45332%0.317SS..  trans-78.5139175.7-70.4-176.34700111.7E473 K481 D482E473-Q479 WeakPolarHBondContact OE1-CA 3.43Å; Q479-K481 PolarHBondContact O-N 2.88Å; Q479-K481 VanDerWaalsContact O-N 3.1Å; Q479-D482 PolarHBondContact O-N 3.07Å
480M90.4Very high87.4Confident18 Ų1861.4 Ų61.49%0.08934%0.335CS..THydrogen-bonded Turntrans-60.2-25.2178.4-64.5-56.6-56.600112.8I382 A385 Q386 I469 E473 L476 M483I382-M480 HydrophobicContact CG2-CE 4.18Å; A385-M480 HydrophobicContact CB-CE 3.83Å; A385-M480 HydrophobicContact CB-CG 3.87Å; A385-M480 HydrophobicContact CB-SD 3.73Å; Q386-M480 HydrophobicContact CG-CE 3.69Å; I469-M480 HydrophobicContact CG2-CG 3.96Å; E473-M480 HydrophobicContact CG-CG 3.78Å; E473-M480 PolarHBondContact OE1-N 2.97Å; L476-M480 HydrophobicContact CD1-SD 3.71Å; M480-M483 HydrophobicContact CE-SD 4.04Å; M480-M483 WeakPolarHBondContact O-CB 3.44Å; M480-M483 PolarHBondContact O-N 3.21Å
481K89.5Confident85.8Confident173 Ų17362.3 Ų62.375%0.75233%0.332SS*.THydrogen-bonded Turntrans-64.7-39.9173.3-63.6170.9-175.51680112.2Q479 M483Q479-K481 PolarHBondContact O-N 2.88Å; Q479-K481 VanDerWaalsContact O-N 3.1Å; K481-M483 PolarHBondContact O-N 2.94Å
482D89.1Confident84.1Confident52 Ų5263.4 Ų63.428%0.27834%0.343SS..THydrogen-bonded Turntrans-74.4-11.4178.8-79.6-54.7000113.4Q479 T484 R485 M486Q479-D482 PolarHBondContact O-N 3.07Å; D482-T484 PolarHBondContact O-N 2.63Å; D482-T484 VanDerWaalsContact O-N 3.1Å; D482-R485 VanDerWaalsContact CG-NH1 3.32Å; D482-R485 WeakPolarHBondContact O-CA 3.48Å; D482-R485 WeakPolarHBondContact O-CB 3.45Å; D482-R485 PolarHBondContact O-N 2.95Å; D482-R485 IonicContact OD1-CZ 2.98Å; D482-R485 IonicContact OD1-NH1 2.64Å; D482-R485 PolarHBondContact OD1-NH1 3.02Å; D482-R485 IonicContact OD2-NH1 3.8Å; D482-M486 HydrophobicContact CB-CG 4.48Å; D482-M486 PolarHBondContact O-N 3.41Å
483M85.9Confident82.3Confident1 Ų168.6 Ų68.61%0.00537%0.365CS..Hα-helixtrans-51.3-37.1178.9-168.8-172.67700112.5I382 Q386 Q411 I412 F415 F478 M480 K481 A487I382-M483 HydrophobicContact CG2-SD 3.93Å; Q386-M483 VanDerWaalsContact NE2-CE 3.28Å; Q411-M483 HydrophobicContact CB-CE 3.81Å; I412-M483 HydrophobicContact CG1-CE 4.12Å; F415-M483 HydrophobicContact CB-CG 3.89Å; F415-M483 HydrophobicContact CB-SD 4.37Å; F415-M483 HydrophobicContact CD1-CG 4.05Å; F415-M483 HydrophobicContact CD2-CB 4.43Å; F415-M483 HydrophobicContact CD2-CG 3.51Å; F415-M483 WeakPolarHBondContact CD2-O 3.37Å; F415-M483 HydrophobicContact CE2-CG 4.02Å; F415-M483 HydrophobicContact CG-CG 3.53Å; F415-M483 HydrophobicContact CG-SD 4.36Å; F415-M483 HydrophobicContact CZ-CG 4.48Å; F478-M483 HydrophobicContact CE2-CB 4.4Å; M480-M483 HydrophobicContact CE-SD 4.04Å; M480-M483 WeakPolarHBondContact O-CB 3.44Å; M480-M483 PolarHBondContact O-N 3.21Å; K481-M483 PolarHBondContact O-N 2.94Å; M483-A487 VanDerWaalsContact O-CB 3.24Å; M483-A487 WeakPolarHBondContact O-CB 3.49Å; M483-A487 PolarHBondContact O-N 3.48Å
484T81.6Confident80.6Confident68 Ų6870.6 Ų70.642%0.41738%0.379SS..Hα-helixtrans-71.8-38.5177.3-57.40000112.4Q411 D482 A488Q411-T484 PolarHBondContact NE2-OG1 3.04Å; D482-T484 PolarHBondContact O-N 2.63Å; D482-T484 VanDerWaalsContact O-N 3.1Å; T484-A488 PolarHBondContact O-N 2.88Å
485R82.8Confident78.9Confident135 Ų13573.3 Ų73.351%0.50938%0.383SS..Hα-helixtrans-67.7-50.7177.9-157.6-16284-136.18.1110.3D482 A487 A488 D489D482-R485 VanDerWaalsContact CG-NH1 3.32Å; D482-R485 WeakPolarHBondContact O-CA 3.48Å; D482-R485 WeakPolarHBondContact O-CB 3.45Å; D482-R485 PolarHBondContact O-N 2.95Å; D482-R485 IonicContact OD1-CZ 2.98Å; D482-R485 IonicContact OD1-NH1 2.64Å; D482-R485 PolarHBondContact OD1-NH1 3.02Å; D482-R485 IonicContact OD2-NH1 3.8Å; R485-A487 VanDerWaalsContact C-N 3.28Å; R485-A487 PolarHBondContact O-N 2.97Å; R485-A488 WeakPolarHBondContact O-CB 3.48Å; R485-A488 PolarHBondContact O-N 3.02Å; R485-D489 IonicContact NE-OD2 2.78Å; R485-D489 IonicContact NH2-OD2 2.69Å; R485-D489 PolarHBondContact O-N 3.5Å
486M77.9Confident77.2Confident64 Ų6474.4 Ų74.432%0.31539%0.388SS..Hα-helixtrans-63.1-31.3177.5-65.9-51.4-49.200112.8F415 D482 D489 Q490F415-M486 HydrophobicContact CE2-CB 3.88Å; D482-M486 HydrophobicContact CB-CG 4.48Å; D482-M486 PolarHBondContact O-N 3.41Å; M486-D489 HydrophobicContact CE-CB 4.46Å; M486-D489 PolarHBondContact O-N 3.24Å; M486-Q490 WeakPolarHBondContact O-CB 3.4Å; M486-Q490 WeakPolarHBondContact O-CG 3.43Å; M486-Q490 PolarHBondContact O-N 3.06Å
487A77.9Confident75.4Confident7 Ų777.3 Ų77.36%0.05840%0.401CS..Hα-helixtrans-65.5-36.917200000112.5K414 F415 M483 R485 Q491K414-A487 HydrophobicContact CB-CB 4.43Å; F415-A487 HydrophobicContact CB-CB 4.42Å; F415-A487 HydrophobicContact CD2-CB 4.25Å; M483-A487 VanDerWaalsContact O-CB 3.24Å; M483-A487 WeakPolarHBondContact O-CB 3.49Å; M483-A487 PolarHBondContact O-N 3.48Å; R485-A487 VanDerWaalsContact C-N 3.28Å; R485-A487 PolarHBondContact O-N 2.97Å; A487-Q491 WeakPolarHBondContact O-CB 3.37Å; A487-Q491 VanDerWaalsContact O-CG 3.3Å; A487-Q491 WeakPolarHBondContact O-CG 3.3Å; A487-Q491 PolarHBondContact O-N 3.44Å
488A73.1Confident73.8Confident53 Ų5379.1 Ų79.144%0.43839%0.392SS..Hα-helixtrans-70.9-41.8174.100000111.7T484 R485 Q490 Q491 S492T484-A488 PolarHBondContact O-N 2.88Å; R485-A488 WeakPolarHBondContact O-CB 3.48Å; R485-A488 PolarHBondContact O-N 3.02Å; A488-Q490 PolarHBondContact O-N 2.98Å; A488-Q491 PolarHBondContact O-N 2.95Å; A488-S492 PolarHBondContact O-N 3.3Å; A488-S492 PolarHBondContact O-OG 3.25Å
489D70.8Confident72.3Confident70 Ų7080.2 Ų80.237%0.37441%0.406SS..Hα-helixtrans-61.5-42.7175.6-64.9-25.9000111.3R485 M486 S492 K493R485-D489 IonicContact NE-OD2 2.78Å; R485-D489 IonicContact NH2-OD2 2.69Å; R485-D489 PolarHBondContact O-N 3.5Å; M486-D489 HydrophobicContact CE-CB 4.46Å; M486-D489 PolarHBondContact O-N 3.24Å; D489-S492 PolarHBondContact O-OG 3.43Å; D489-K493 WeakPolarHBondContact O-CB 3.32Å; D489-K493 PolarHBondContact O-N 3.49Å
490Q66.3Low70.6Confident107 Ų10783 Ų8350%0.541%0.412SS..Hα-helixtrans-61.6-45.9173-70.7-98.855.300112.1M486 A488 K493 V494M486-Q490 WeakPolarHBondContact O-CB 3.4Å; M486-Q490 WeakPolarHBondContact O-CG 3.43Å; M486-Q490 PolarHBondContact O-N 3.06Å; A488-Q490 PolarHBondContact O-N 2.98Å; Q490-K493 PolarHBondContact O-N 3.31Å; Q490-V494 WeakPolarHBondContact O-CG2 3.39Å; Q490-V494 PolarHBondContact O-N 2.9Å
491Q62Low68.9Low90 Ų9087 Ų8742%0.42144%0.437SS..Hα-helixtrans-63.4-45.2178.8-74.8-170.9-35.900111.5A487 A488 K493 V494 E495A487-Q491 WeakPolarHBondContact O-CB 3.37Å; A487-Q491 VanDerWaalsContact O-CG 3.3Å; A487-Q491 WeakPolarHBondContact O-CG 3.3Å; A487-Q491 PolarHBondContact O-N 3.44Å; A488-Q491 PolarHBondContact O-N 2.95Å; Q491-K493 PolarHBondContact O-N 2.9Å; Q491-V494 PolarHBondContact O-N 3.32Å; Q491-E495 WeakPolarHBondContact O-CB 3.4Å; Q491-E495 PolarHBondContact O-N 2.9Å
492S60.8Low67.3Low53 Ų5382.7 Ų82.737%0.37143%0.429SS..Hα-helixtrans-67-34.5177.469.10000113.4A488 D489 E495 Q496A488-S492 PolarHBondContact O-N 3.3Å; A488-S492 PolarHBondContact O-OG 3.25Å; D489-S492 PolarHBondContact O-OG 3.43Å; S492-E495 PolarHBondContact O-N 3.49Å; S492-Q496 WeakPolarHBondContact O-CB 3.26Å; S492-Q496 WeakPolarHBondContact O-CG 3.49Å; S492-Q496 PolarHBondContact O-N 2.91Å
493K59.7Low65.6Low108 Ų10884.3 Ų84.347%0.4745%0.445SS..Hα-helixtrans-65.5-44.9173.4-174.3177.9-177.5-81.30111.8D489 Q490 Q491 Q496 E497D489-K493 WeakPolarHBondContact O-CB 3.32Å; D489-K493 PolarHBondContact O-N 3.49Å; Q490-K493 PolarHBondContact O-N 3.31Å; Q491-K493 PolarHBondContact O-N 2.9Å; K493-Q496 PolarHBondContact O-N 3.36Å; K493-E497 WeakPolarHBondContact CE-OE1 3.23Å; K493-E497 IonicContact NZ-OE1 2.78Å; K493-E497 PolarHBondContact NZ-OE1 3.3Å; K493-E497 IonicContact NZ-OE2 2.66Å; K493-E497 PolarHBondContact O-N 3.21Å
494V59.8Low64Low73 Ų7388.4 Ų88.444%0.44248%0.479SS..Hα-helixtrans-63.9-41.7176.5169.10000110.8Q490 Q491 E497 I498Q490-V494 WeakPolarHBondContact O-CG2 3.39Å; Q490-V494 PolarHBondContact O-N 2.9Å; Q491-V494 PolarHBondContact O-N 3.32Å; V494-E497 PolarHBondContact O-N 2.99Å; V494-I498 HydrophobicContact CG1-CD1 3.72Å; V494-I498 HydrophobicContact CG1-CG1 4.42Å; V494-I498 VanDerWaalsContact O-CG1 3.26Å; V494-I498 WeakPolarHBondContact O-CG1 3.43Å; V494-I498 PolarHBondContact O-N 3.49Å
495E59.1Low62.5Low143 Ų14393.4 Ų93.467%0.66850%0.497SS*.Hα-helixtrans-63.5-40.6174.9-169.1173.5167.300112.1Q491 S492 S499Q491-E495 WeakPolarHBondContact O-CB 3.4Å; Q491-E495 PolarHBondContact O-N 2.9Å; S492-E495 PolarHBondContact O-N 3.49Å; E495-S499 WeakPolarHBondContact O-CB 3.33Å; E495-S499 PolarHBondContact O-N 3.43Å
496Q59.3Low60.8Low97 Ų9797.5 Ų97.545%0.45351%0.513SS..Hα-helixtrans-65-37.6172.3-76.6-17730.600113.1S492 K493 S499 R500S492-Q496 WeakPolarHBondContact O-CB 3.26Å; S492-Q496 WeakPolarHBondContact O-CG 3.49Å; S492-Q496 PolarHBondContact O-N 2.91Å; K493-Q496 PolarHBondContact O-N 3.36Å; Q496-S499 PolarHBondContact O-N 3.49Å; Q496-R500 WeakPolarHBondContact O-CB 3.18Å; Q496-R500 VanDerWaalsContact O-CG 3.23Å; Q496-R500 WeakPolarHBondContact O-CG 3.29Å; Q496-R500 PolarHBondContact O-N 3.4Å
497E56.1Low58.8Low87 Ų8799.2 Ų99.241%0.40753%0.531SS..Hα-helixtrans-69-43.9176.4-78174.2-177.900111.5K493 V494 S499 R500 V501K493-E497 WeakPolarHBondContact CE-OE1 3.23Å; K493-E497 IonicContact NZ-OE1 2.78Å; K493-E497 PolarHBondContact NZ-OE1 3.3Å; K493-E497 IonicContact NZ-OE2 2.66Å; K493-E497 PolarHBondContact O-N 3.21Å; V494-E497 PolarHBondContact O-N 2.99Å; E497-S499 VanDerWaalsContact C-N 3.33Å; E497-S499 PolarHBondContact O-N 3.35Å; E497-R500 PolarHBondContact O-N 2.85Å; E497-V501 WeakPolarHBondContact O-CG2 3.34Å; E497-V501 PolarHBondContact O-N 2.89Å
498I60.2Low57.1Low112 Ų112104.8 Ų104.857%0.57457%0.566SS**Hα-helixtrans-60.5-43.2172.8-65.6163.6000110.6V494 V501 S502V494-I498 HydrophobicContact CG1-CD1 3.72Å; V494-I498 HydrophobicContact CG1-CG1 4.42Å; V494-I498 VanDerWaalsContact O-CG1 3.26Å; V494-I498 WeakPolarHBondContact O-CG1 3.43Å; V494-I498 PolarHBondContact O-N 3.49Å; I498-V501 PolarHBondContact O-N 3.29Å; I498-S502 VanDerWaalsContact O-CB 3.29Å; I498-S502 WeakPolarHBondContact O-CB 3.38Å; I498-S502 PolarHBondContact O-N 3.43Å
499S62.4Low55.3Low76 Ų76110.9 Ų110.953%0.53159%0.586SS.*Hα-helixtrans-64.8-40.1177.7-171.60000112.3E495 Q496 E497 S502 S503E495-S499 WeakPolarHBondContact O-CB 3.33Å; E495-S499 PolarHBondContact O-N 3.43Å; Q496-S499 PolarHBondContact O-N 3.49Å; E497-S499 VanDerWaalsContact C-N 3.33Å; E497-S499 PolarHBondContact O-N 3.35Å; S499-S502 PolarHBondContact O-N 3.36Å; S499-S503 WeakPolarHBondContact O-CB 2.96Å; S499-S503 PolarHBondContact O-N 2.89Å
500R57.8Low53.6Low155 Ų155113.8 Ų113.859%0.58561%0.606SS**Hα-helixtrans-65.2-42.8174-75.6171.2-173.4135.912.5112.5Q496 E497 S503 A504Q496-R500 WeakPolarHBondContact O-CB 3.18Å; Q496-R500 VanDerWaalsContact O-CG 3.23Å; Q496-R500 WeakPolarHBondContact O-CG 3.29Å; Q496-R500 PolarHBondContact O-N 3.4Å; E497-R500 PolarHBondContact O-N 2.85Å; R500-S503 PolarHBondContact O-N 2.86Å; R500-A504 WeakPolarHBondContact O-CB 3.5Å; R500-A504 PolarHBondContact O-N 3.41Å
501V54.5Low52.2Low102 Ų102116.9 Ų116.962%0.61862%0.624SS**Hα-helixtrans-65.9-40.3175.9175.10000111.2E497 I498 A504E497-V501 WeakPolarHBondContact O-CG2 3.34Å; E497-V501 PolarHBondContact O-N 2.89Å; I498-V501 PolarHBondContact O-N 3.29Å; V501-A504 PolarHBondContact O-N 3.23Å
502S55.5Low51Low83 Ų83116.9 Ų116.958%0.5864%0.64SS**Hα-helixtrans-61.8-43.7173.3-175.10000112I498 S499 A504 Q505I498-S502 VanDerWaalsContact O-CB 3.29Å; I498-S502 WeakPolarHBondContact O-CB 3.38Å; I498-S502 PolarHBondContact O-N 3.43Å; S499-S502 PolarHBondContact O-N 3.36Å; S502-A504 VanDerWaalsContact C-N 3.3Å; S502-A504 PolarHBondContact O-N 2.64Å; S502-Q505 PolarHBondContact O-N 3.23Å
503S55.1Low50Low87 Ų87118.2 Ų118.261%0.60866%0.662SS**Hα-helixtrans-66.3-30.1176.9-169.70000113.1S499 R500 Q505 R506S499-S503 WeakPolarHBondContact O-CB 2.96Å; S499-S503 PolarHBondContact O-N 2.89Å; R500-S503 PolarHBondContact O-N 2.86Å; S503-Q505 PolarHBondContact O-N 3.29Å; S503-R506 PolarHBondContact O-N 2.78Å
504A50.3Low48.9Very low86 Ų86122.4 Ų122.471%0.71168%0.684SS**Hα-helixtrans-70.8-14.1177.500000114.2R500 V501 S502R500-A504 WeakPolarHBondContact O-CB 3.5Å; R500-A504 PolarHBondContact O-N 3.41Å; V501-A504 PolarHBondContact O-N 3.23Å; S502-A504 VanDerWaalsContact C-N 3.3Å; S502-A504 PolarHBondContact O-N 2.64Å
505Q50.8Low48Very low173 Ų173128.5 Ų128.581%0.80871%0.707SS**THydrogen-bonded Turntrans-90.75.9175.7-83.4-158.5-86.800114.9S502 S503S502-Q505 PolarHBondContact O-N 3.23Å; S503-Q505 PolarHBondContact O-N 3.29Å
506R47.3Very low47.2Very low222 Ų222128.5 Ų128.584%0.83871%0.712SS**  trans-109.4100.7168.2-74-172.8179.81612.6110.8S503S503-R506 PolarHBondContact O-N 2.78Å
507S36Very low46.3Very low99 Ų99129.1 Ų129.169%0.69272%0.722SS**  trans-58.3135.8163.944.80000110.6E509S507-E509 PolarHBondContact O-N 3.34Å
508P42Very low45.4Very low124 Ų124131.9 Ų131.981%0.80574%0.74SS**  trans-76.1105.6171.230.6-31.6000109.3
509E34.9Very low44.6Very low182 Ų182131.2 Ų131.285%0.8575%0.745SS**  trans-75.2135.9170.7-154.3163.2129.400109.6S507 I511S507-E509 PolarHBondContact O-N 3.34Å; E509-I511 PolarHBondContact O-N 2.6Å
510T35.2Very low43.9Very low130 Ų130136.7 Ų136.780%0.79876%0.759SS**  trans-79.2113.4-164.146.80000112.5A512T510-A512 PolarHBondContact O-N 2.73Å
511I38.3Very low43.2Very low172 Ų172138.6 Ų138.688%0.88277%0.772SS**  trans-83.890163.1-54.8177.4000108E509E509-I511 PolarHBondContact O-N 2.6Å
512A36.5Very low42.6Very low91 Ų91146.7 Ų146.775%0.75280%0.799SS**  trans-90.5138.1155.200000107.7T510T510-A512 PolarHBondContact O-N 2.73Å
513G38.9Very low41.9Very low81 Ų81149.9 Ų149.984%0.83581%0.81SS**  trans-100.2142.1-179.500000112
514E36.3Very low41.2Very low196 Ų196153.2 Ų153.292%0.91682%0.821SS**  trans-134.8115.2160.457.7-162.6147.300108.8
515E42.3Very low40.7Very low200 Ų200156.9 Ų156.994%0.93583%0.827SS**  trans-84135.6156.5-75.7179.776.200107.4
516D41.1Very low40.1Very low144 Ų144156 Ų15677%0.7783%0.828SS**  160.3167.2115.1-164.717.3000111.4
517T40.6Very low39.7Very low110 Ų110151.9 Ų151.968%0.67583%0.827SS**  trans76.588.1162.864.50000120
518D37.3Very low39.9Very low144 Ų144155.4 Ų155.477%0.7784%0.836SS**  72.7151.1112.7-135.2-42.3000122.2
519S43.7Very low39.8Very low98 Ų98157.6 Ų157.669%0.68584%0.839SS**  trans46.3120.9150-78.80000119.4
520K48Very low40.2Very low191 Ų191155.8 Ų155.883%0.8384%0.838SS**  177.8156.452.3-162.8162-178.6167.20112.2
521F42.9Very low40.6Very low196 Ų196157.9 Ų157.986%0.8684%0.841SS**  trans-36.4136.8161.1-80.4-105.1000114.6
522K40.9Very low40.8Very low272 Ų272156.6 Ų156.6100%1.18384%0.837SS**  -158.6080.3-141.2-177-179-174.80113.8

Retrieved 522 of 522 residues in 133.8 ms (Link to these results)