A0A024RCR2_HUMAN Loading...

Guanine nucleotide-binding protein-like 1

Possible regulatory or functional link with the histocompatibility cluster.

AlphaFold DB (P36915), UniProt , Accession A0A024RCR2, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 607 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
1M40.9Very low57Low229 Ų229156 Ų156100%1.12876%0.764SS**  01090-67.1-76.4-16000109.5R3M1-R3 PolarHBondContact O-N 2.82Å
2P41.9Very low58.6Low130 Ų130150.6 Ų150.684%0.84473%0.733SS**PPolyproline II helixtrans-68.1122.6167.5-2.818.7000108.3K4P2-K4 PolarHBondContact O-N 3.09Å
3R41Very low60.2Low237 Ų237151 Ų15189%0.89473%0.729SS**PPolyproline II helixtrans-53.5126.3177.9-80.6178.9169.2179.2-4.1110.1M1 K5M1-R3 PolarHBondContact O-N 2.82Å; R3-K5 PolarHBondContact O-N 3.16Å
4K47.7Very low61.5Low206 Ų206149.7 Ų149.790%0.89672%0.718SS**PPolyproline II helixtrans-49.7123.7173.9-74.4-177.6176.7-179.60108.8P2 P6P2-K4 PolarHBondContact O-N 3.09Å; K4-P6 WeakPolarHBondContact O-CD 3.12Å
5K49.8Very low62.5Low199 Ų199147.8 Ų147.887%0.86571%0.708SS**PPolyproline II helixtrans-62.9122.5176.3-79179.8178.6173.70107.9R3 F7R3-K5 PolarHBondContact O-N 3.16Å; K5-F7 PolarHBondContact O-N 3.49Å
6P44.9Very low63.4Low121 Ų121143.7 Ų143.779%0.78669%0.69SS**PPolyproline II helixtrans-61.5134.9179.522.6-31000110.1K4 S8K4-P6 WeakPolarHBondContact O-CD 3.12Å; P6-S8 PolarHBondContact O-N 3.22Å; P6-S8 VanDerWaalsContact O-N 3.16Å
7F66.4Low64.1Low124 Ų124141.2 Ų141.254%0.54468%0.678SS.*PPolyproline II helixtrans-56.9117.4-179.9-162.7-106.6000109.4K5 V9 Q11 K12K5-F7 PolarHBondContact O-N 3.49Å; F7-V9 PolarHBondContact O-N 3.46Å; F7-Q11 HydrophobicContact CE1-CB 4.41Å; F7-Q11 HydrophobicContact CZ-CB 4.33Å; F7-K12 HydrophobicContact CD1-CB 3.92Å; F7-K12 HydrophobicContact CD1-CG 4.48Å; F7-K12 HydrophobicContact CE1-CB 3.57Å; F7-K12 HydrophobicContact CE1-CG 4.03Å
8S70.7Confident64.8Low55 Ų55136.9 Ų136.939%0.38566%0.659SS.*PPolyproline II helixtrans-64.6129.3-175.6-176.70000109.6P6 K10 Q11 K12P6-S8 PolarHBondContact O-N 3.22Å; P6-S8 VanDerWaalsContact O-N 3.16Å; S8-K10 PolarHBondContact O-N 3.27Å; S8-K10 PolarHBondContact OG-N 3.17Å; S8-Q11 WeakPolarHBondContact O-CA 3.37Å; S8-Q11 WeakPolarHBondContact O-CB 3.06Å; S8-Q11 PolarHBondContact O-N 2.99Å; S8-K12 PolarHBondContact O-N 3.27Å; S8-K12 VanDerWaalsContact O-N 3.14Å
9V75.6Confident65.3Low126 Ų126135.1 Ų135.176%0.76465%0.648SS**Hα-helixtrans-50.9-32.1173.9179.80000111.5F7 K12 K13F7-V9 PolarHBondContact O-N 3.46Å; V9-K12 PolarHBondContact O-N 2.94Å; V9-K13 WeakPolarHBondContact O-CB 3.32Å; V9-K13 PolarHBondContact O-N 2.94Å
10K73.6Confident65.8Low174 Ų174136.8 Ų136.876%0.75765%0.647SS**Hα-helixtrans-65.4-39.4173.8-74.6-175.5176.4179.50113S8 K14S8-K10 PolarHBondContact O-N 3.27Å; S8-K10 PolarHBondContact OG-N 3.17Å; K10-K14 WeakPolarHBondContact O-CB 3.5Å; K10-K14 PolarHBondContact O-N 3.32Å
11Q74.5Confident65.7Low115 Ų115135 Ų13554%0.53764%0.639SS.*Hα-helixtrans-66.7-44.8175.3-78.5174.5-37.200111.1F7 S8 K13 K14 Q15F7-Q11 HydrophobicContact CE1-CB 4.41Å; F7-Q11 HydrophobicContact CZ-CB 4.33Å; S8-Q11 WeakPolarHBondContact O-CA 3.37Å; S8-Q11 WeakPolarHBondContact O-CB 3.06Å; S8-Q11 PolarHBondContact O-N 2.99Å; Q11-K13 VanDerWaalsContact C-N 3.35Å; Q11-K13 PolarHBondContact O-N 3.4Å; Q11-K14 PolarHBondContact O-N 3.5Å; Q11-Q15 WeakPolarHBondContact O-CB 3.45Å; Q11-Q15 PolarHBondContact O-N 2.82Å
12K76.6Confident67Low91 Ų91133.4 Ų133.440%0.39662%0.62SS.*Hα-helixtrans-58.5-46175.9-160.8176.9178.2-170.10111.6F7 S8 V9 K14 Q15 L16 E567F7-K12 HydrophobicContact CD1-CB 3.92Å; F7-K12 HydrophobicContact CD1-CG 4.48Å; F7-K12 HydrophobicContact CE1-CB 3.57Å; F7-K12 HydrophobicContact CE1-CG 4.03Å; S8-K12 PolarHBondContact O-N 3.27Å; S8-K12 VanDerWaalsContact O-N 3.14Å; V9-K12 PolarHBondContact O-N 2.94Å; K12-K14 PolarHBondContact O-N 3.06Å; K12-Q15 PolarHBondContact O-N 2.92Å; K12-L16 WeakPolarHBondContact O-CG 3.4Å; K12-L16 PolarHBondContact O-N 2.9Å; K12-E567 IonicContact NZ-OE1 3.69Å; K12-E567 PolarHBondContact NZ-OE1 3.28Å
13K79Confident67.8Low156 Ų156134.8 Ų134.868%0.67861%0.613SS**Hα-helixtrans-63.4-40.7177.8-168.7173.7-177.6175.30112.4V9 Q11 L16 Q17V9-K13 WeakPolarHBondContact O-CB 3.32Å; V9-K13 PolarHBondContact O-N 2.94Å; Q11-K13 VanDerWaalsContact C-N 3.35Å; Q11-K13 PolarHBondContact O-N 3.4Å; K13-L16 PolarHBondContact O-N 3.09Å; K13-Q17 WeakPolarHBondContact O-CB 3.43Å; K13-Q17 PolarHBondContact O-N 3.16Å
14K78.5Confident68.5Low133 Ų133132.9 Ų132.958%0.57861%0.606SS**Hα-helixtrans-64.3-44.5175.3-172.2178.6177.5-175.80111.4K10 Q11 K12 L16 Q17 D18K10-K14 WeakPolarHBondContact O-CB 3.5Å; K10-K14 PolarHBondContact O-N 3.32Å; Q11-K14 PolarHBondContact O-N 3.5Å; K12-K14 PolarHBondContact O-N 3.06Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 2.95Å; K14-Q17 CarbonylContact O-C 3.58Å; K14-Q17 WeakPolarHBondContact O-CB 3.27Å; K14-Q17 PolarHBondContact O-N 3.04Å; K14-Q17 VanDerWaalsContact O-N 3.11Å; K14-D18 WeakPolarHBondContact O-CB 3.39Å; K14-D18 PolarHBondContact O-N 2.86Å
15Q77.3Confident67.9Low121 Ų121125.9 Ų125.957%0.56559%0.591SS**Hα-helixtrans-60.3-40.8177.3-137.2178.82500112.2Q11 K12 D18 K19Q11-Q15 WeakPolarHBondContact O-CB 3.45Å; Q11-Q15 PolarHBondContact O-N 2.82Å; K12-Q15 PolarHBondContact O-N 2.92Å; Q15-D18 PolarHBondContact O-N 3.45Å; Q15-K19 WeakPolarHBondContact O-CB 3.23Å; Q15-K19 PolarHBondContact O-N 2.92Å
16L76.2Confident67.4Low82 Ų82123.8 Ų123.843%0.42959%0.589SS.*Hα-helixtrans-68.1-37.4174.1-72.8171000112.6K12 K13 K14 K19 R20K12-L16 WeakPolarHBondContact O-CG 3.4Å; K12-L16 PolarHBondContact O-N 2.9Å; K13-L16 PolarHBondContact O-N 3.09Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 2.95Å; L16-K19 PolarHBondContact O-N 2.97Å; L16-R20 WeakPolarHBondContact O-CG 3.49Å; L16-R20 PolarHBondContact O-N 3.44Å
17Q75.3Confident67Low101 Ų101125.4 Ų125.447%0.47259%0.586SS.*Hα-helixtrans-65.4-46.1173.8-175.2173-8.200110.9K13 K14 K19 R20 E21K13-Q17 WeakPolarHBondContact O-CB 3.43Å; K13-Q17 PolarHBondContact O-N 3.16Å; K14-Q17 CarbonylContact O-C 3.58Å; K14-Q17 WeakPolarHBondContact O-CB 3.27Å; K14-Q17 PolarHBondContact O-N 3.04Å; K14-Q17 VanDerWaalsContact O-N 3.11Å; Q17-K19 VanDerWaalsContact C-N 3.32Å; Q17-K19 PolarHBondContact O-N 3.34Å; Q17-R20 CarbonylContact O-C 3.52Å; Q17-R20 WeakPolarHBondContact O-CB 3.45Å; Q17-R20 PolarHBondContact O-N 2.98Å; Q17-R20 VanDerWaalsContact O-N 3.09Å; Q17-E21 HydrophobicContact CG-CG 4.45Å; Q17-E21 PolarHBondContact NE2-OE1 3.39Å; Q17-E21 WeakPolarHBondContact O-CB 3.42Å; Q17-E21 PolarHBondContact O-N 2.97Å
18D77Confident65.3Low65 Ų65126.8 Ų126.835%0.34860%0.599SS.*Hα-helixtrans-61.2-39.6175.6-64.5-15.6000110.8K14 Q15 E21 R22K14-D18 WeakPolarHBondContact O-CB 3.39Å; K14-D18 PolarHBondContact O-N 2.86Å; Q15-D18 PolarHBondContact O-N 3.45Å; D18-E21 PolarHBondContact O-N 2.89Å; D18-R22 WeakPolarHBondContact O-CB 3.37Å; D18-R22 VanDerWaalsContact O-CG 3.31Å; D18-R22 WeakPolarHBondContact O-CG 3.44Å; D18-R22 PolarHBondContact O-N 2.72Å
19K74.5Confident63.3Low101 Ų101127.5 Ų127.544%0.43962%0.615SS.*Hα-helixtrans-63.1-39.5173.6-166.8173.6-175.1174.20111.4Q15 L16 Q17 K23 E570Q15-K19 WeakPolarHBondContact O-CB 3.23Å; Q15-K19 PolarHBondContact O-N 2.92Å; L16-K19 PolarHBondContact O-N 2.97Å; Q17-K19 VanDerWaalsContact C-N 3.32Å; Q17-K19 PolarHBondContact O-N 3.34Å; K19-K23 WeakPolarHBondContact O-CG 3.23Å; K19-K23 PolarHBondContact O-N 3.31Å; K19-E570 IonicContact NZ-OE1 3.5Å; K19-E570 PolarHBondContact NZ-OE1 3.09Å
20R74.3Confident61.1Low170 Ų170129.4 Ų129.464%0.64262%0.62SS**Hα-helixtrans-71.7-40175.5-74.2174.5178.3-177.60.3112.5L16 Q17 K23 R24L16-R20 WeakPolarHBondContact O-CG 3.49Å; L16-R20 PolarHBondContact O-N 3.44Å; Q17-R20 CarbonylContact O-C 3.52Å; Q17-R20 WeakPolarHBondContact O-CB 3.45Å; Q17-R20 PolarHBondContact O-N 2.98Å; Q17-R20 VanDerWaalsContact O-N 3.09Å; R20-K23 PolarHBondContact O-N 3.42Å; R20-R24 WeakPolarHBondContact O-CG 3.33Å; R20-R24 PolarHBondContact O-N 2.91Å
21E65.2Low58.9Low99 Ų99132.8 Ų132.846%0.46363%0.628SS.*Hα-helixtrans-68.3-40.7177.1-77.1179.5-165.500111.4Q17 D18 K23 R24 G25Q17-E21 HydrophobicContact CG-CG 4.45Å; Q17-E21 PolarHBondContact NE2-OE1 3.39Å; Q17-E21 WeakPolarHBondContact O-CB 3.42Å; Q17-E21 PolarHBondContact O-N 2.97Å; D18-E21 PolarHBondContact O-N 2.89Å; E21-K23 VanDerWaalsContact C-N 3.29Å; E21-K23 PolarHBondContact O-N 3.31Å; E21-R24 CarbonylContact O-C 3.37Å; E21-R24 PolarHBondContact O-N 2.89Å; E21-G25 PolarHBondContact O-N 3.27Å
22R66.7Low56.7Low195 Ų195132.8 Ų132.874%0.73664%0.641SS**Hα-helixtrans-58.2-40.6170-77.3178.9-178-174.50.8112.2D18 R24D18-R22 WeakPolarHBondContact O-CB 3.37Å; D18-R22 VanDerWaalsContact O-CG 3.31Å; D18-R22 WeakPolarHBondContact O-CG 3.44Å; D18-R22 PolarHBondContact O-N 2.72Å; R22-R24 VanDerWaalsContact C-N 3.31Å; R22-R24 PolarHBondContact O-N 3.42Å
23K58.3Low54.2Low160 Ų160133.2 Ų133.270%0.69666%0.656SS**Hα-helixtrans-66.6-30174.1-78.2-172.4175.5-170.20113.1K19 R20 E21K19-K23 WeakPolarHBondContact O-CG 3.23Å; K19-K23 PolarHBondContact O-N 3.31Å; R20-K23 PolarHBondContact O-N 3.42Å; E21-K23 VanDerWaalsContact C-N 3.29Å; E21-K23 PolarHBondContact O-N 3.31Å
24R56.7Low51.9Low197 Ų197131 Ų13174%0.74366%0.66SS**Hα-helixtrans-80.9-40.2176.6-75.1179.2176.2-174.3-1.3112.9R20 E21 R22 L26 Q27R20-R24 WeakPolarHBondContact O-CG 3.33Å; R20-R24 PolarHBondContact O-N 2.91Å; E21-R24 CarbonylContact O-C 3.37Å; E21-R24 PolarHBondContact O-N 2.89Å; R22-R24 VanDerWaalsContact C-N 3.31Å; R22-R24 PolarHBondContact O-N 3.42Å; R24-L26 PolarHBondContact O-N 2.79Å; R24-Q27 WeakPolarHBondContact O-CB 3.22Å; R24-Q27 PolarHBondContact O-N 3.02Å; R24-Q27 VanDerWaalsContact O-N 3.08Å
25G35.4Very low49.5Very low58 Ų58132 Ų13260%0.59867%0.672SS**Hα-helixtrans-67.4-14.7-176.400000114.9E21 Q27E21-G25 PolarHBondContact O-N 3.27Å; G25-Q27 PolarHBondContact O-N 2.64Å
26L38.5Very low47.1Very low155 Ų155131.6 Ų131.681%0.81268%0.682SS**THydrogen-bonded Turntrans-71.8-9.6171-79.6156.4000113.4R24R24-L26 PolarHBondContact O-N 2.79Å
27Q36Very low44.6Very low155 Ų155139.7 Ų139.772%0.72471%0.707SS**THydrogen-bonded Turntrans-98.4-12-172.2-142.3171.357.400115.2R24 G25R24-Q27 WeakPolarHBondContact O-CB 3.22Å; R24-Q27 PolarHBondContact O-N 3.02Å; R24-Q27 VanDerWaalsContact O-N 3.08Å; G25-Q27 PolarHBondContact O-N 2.64Å
28D31.2Very low42.3Very low153 Ų153141.1 Ų141.182%0.81873%0.728SS**SBendtrans-104.79.8-170.8-83.8-23.7000115.7
29G28.5Very low39.9Very low70 Ų70141.1 Ų141.172%0.72274%0.743SS**SBendtrans-77.3-18.6-176.300000116.8
30L30.2Very low37.6Very low166 Ų166142.5 Ų142.587%0.86977%0.766SS**SBendtrans-146.654.5-163.8-77.8160.8000113.8
31R27.6Very low35.4Very low245 Ų245145.5 Ų145.593%0.92578%0.777SS**  trans-138.892.5159.1-71.3-165.4175-179.30.5111.7
32S27.5Very low33.6Very low116 Ų116149.7 Ų149.781%0.81180%0.797SS**  trans-55.2146.1160.8-176.70000111
33S24.7Very low31.8Very low100 Ų100152.2 Ų152.270%0.69981%0.806SS**  trans-36128.417955.20000116.5
34S30.1Very low30.3Very low110 Ų110154.9 Ų154.977%0.76981%0.812SS**  173.3116.812444.70000112.5
35N27.8Very low29Very low154 Ų154154.5 Ų154.582%0.82482%0.819SS**  trans50.9133142.1-73.77.3000124.7
36S27.2Very low28.7Very low112 Ų112160.1 Ų160.178%0.78383%0.829SS**  trans94.896.1133.752.30000120.6
37R24.8Very low28.5Very low251 Ų251159.9 Ų159.995%0.94782%0.824SS**  trans-0.9114.7133-67.7173.6167.4165.8-4.2116.5
38S26.3Very low28.1Very low131 Ų131159 Ų15992%0.91683%0.829SS**  trans150.7131.2131.4-171.20000110.1
39G26.8Very low28.1Very low65 Ų65157.5 Ų157.567%0.6782%0.821SS**  trans136.786.5168.400000114R41G39-R41 PolarHBondContact O-N 3.27Å; G39-R41 VanDerWaalsContact O-N 3.08Å
40S26.2Very low28.2Very low131 Ų131159.2 Ų159.292%0.91682%0.818SS**  trans-53.4107.7160.9-175.70000109.5
41R28.2Very low28.5Very low232 Ų232153.9 Ų153.988%0.87579%0.794SS**  trans-129.7125.6163.8-89.7-175.9165.6176.5-3.6107.6G39 R43G39-R41 PolarHBondContact O-N 3.27Å; G39-R41 VanDerWaalsContact O-N 3.08Å; R41-R43 PolarHBondContact O-N 3.37Å
42E27.6Very low28.6Very low188 Ų188149.6 Ų149.688%0.87979%0.79SS**  trans-38.8124.7174.1-68167.2145.700110.3R44E42-R44 VanDerWaalsContact C-N 3.32Å; E42-R44 PolarHBondContact O-N 3.47Å
43R28.9Very low28.7Very low248 Ų248146.1 Ų146.194%0.93677%0.772SS**  trans-60.695.5178.4-71178.4177.4-172.9-2108.2R41 E45R41-R43 PolarHBondContact O-N 3.37Å; R43-E45 PolarHBondContact O-N 2.79Å
44R27.3Very low28.9Very low216 Ų216150.5 Ų150.582%0.81578%0.782SS**  trans-54.4127.2155-82.3-177169-152.6-0.5106.5E42 E46E42-R44 VanDerWaalsContact C-N 3.32Å; E42-R44 PolarHBondContact O-N 3.47Å; R44-E46 VanDerWaalsContact C-N 3.31Å; R44-E46 PolarHBondContact O-N 2.63Å
45E28.3Very low29.3Very low189 Ų189150.7 Ų150.788%0.88378%0.783SS**  trans-57.796.6170.7-67172.5160.400107.9R43 Q47R43-E45 PolarHBondContact O-N 2.79Å; E45-Q47 PolarHBondContact O-N 2.75Å
46E28.1Very low29.7Very low175 Ų175148.1 Ų148.182%0.81877%0.773SS**  trans-67.999.6172.9-77178.3163.700107.6R44 T48R44-E46 VanDerWaalsContact C-N 3.31Å; R44-E46 PolarHBondContact O-N 2.63Å; E46-T48 PolarHBondContact O-N 2.84Å
47Q34.6Very low30.7Very low151 Ų151144.5 Ų144.571%0.70675%0.746SS**  trans-58117.5164.9-74.8177.5-17.200107.8E45 D49E45-Q47 PolarHBondContact O-N 2.75Å; Q47-D49 PolarHBondContact O-N 3.36Å; Q47-D49 VanDerWaalsContact O-N 3.15Å
48T28.4Very low32Very low136 Ų136139.9 Ų139.983%0.83474%0.735SS**  trans-69.3105.6175.950.30000109.2E46E46-T48 PolarHBondContact O-N 2.84Å
49D31.2Very low33.7Very low121 Ų121139.9 Ų139.965%0.64772%0.72SS**  trans-106.7124.1178.5-162.7-6.6000109.5Q47 S51Q47-D49 PolarHBondContact O-N 3.36Å; Q47-D49 VanDerWaalsContact O-N 3.15Å; D49-S51 WeakPolarHBondContact OD1-CB 3.21Å; D49-S51 PolarHBondContact OD1-N 3.36Å
50T30.2Very low36Very low106 Ų106139.1 Ų139.165%0.6570%0.7SS**  trans-125.976.8171.360.90000106.8
51S36.5Very low38.5Very low54 Ų54136.1 Ų136.138%0.37867%0.669SS.*  trans-116.993.1179.7177.80000110.1D49D49-S51 WeakPolarHBondContact OD1-CB 3.21Å; D49-S51 PolarHBondContact OD1-N 3.36Å
52D29.8Very low40.8Very low155 Ų155129.5 Ų129.583%0.82964%0.644SS**  trans-73.7128.6163.1-69-37.7000109.6
53G29.8Very low43.1Very low43 Ų43120.6 Ų120.644%0.44360%0.602SS.*  trans123.591.1169.600000114.8T57G53-T57 WeakPolarHBondContact O-CB 3.43Å; G53-T57 WeakPolarHBondContact O-CG2 3.26Å; G53-T57 PolarHBondContact O-OG1 2.93Å
54E28.3Very low45.2Very low193 Ų193110.4 Ų110.490%0.90257%0.566SS**  trans-56.8134155.5-59.4168.7159.900107.5
55S39Very low47.3Very low114 Ų114105.4 Ų105.480%0.79755%0.552SS**SBend-167.222.151.9520000113.6
56V36.5Very low48.9Very low100 Ų100100 Ų10061%0.60653%0.527SS*.SBendtrans-136.82.4171-174.50000111.2
57T47.7Very low50.7Low36 Ų3696.8 Ų96.822%0.22152%0.521CS..G310 helixtrans-88.9-16.2-155.848.10000115.6G53 H59 I60G53-T57 WeakPolarHBondContact O-CB 3.43Å; G53-T57 WeakPolarHBondContact O-CG2 3.26Å; G53-T57 PolarHBondContact O-OG1 2.93Å; T57-H59 PolarHBondContact O-N 3.38Å; T57-I60 PolarHBondContact O-N 3.12Å
58H51.9Low51.7Low154 Ų15494.7 Ų94.771%0.71352%0.523SS*.G310 helixtrans-67.6-20.3-178.2-71.1-64.7000114.2
59H63.3Low52.8Low131 Ų13196.5 Ų96.561%0.60652%0.522SS*.G310 helixtrans-92.9-12.9-178.7-64.9-75.6000113.9T57 E86 R87T57-H59 PolarHBondContact O-N 3.38Å; H59-E86 CarbonylContact O-C 3.58Å; H59-E86 WeakPolarHBondContact O-CA 3.21Å; H59-R87 WeakPolarHBondContact O-CB 3.34Å; H59-R87 PolarHBondContact O-N 3.05Å
60I74.5Confident53.7Low49 Ų4993.3 Ų93.325%0.25152%0.518SS..EExtended strand (participates in β ladder)trans-105.6118.2-175.8-60175.8000109.3T57 H84 F85 H173T57-I60 PolarHBondContact O-N 3.12Å; I60-H84 HydrophobicContact CG2-CB 3.74Å; I60-F85 CarbonylContact C-O 3.53Å; I60-F85 WeakPolarHBondContact CA-O 3.37Å; I60-H173 HydrophobicContact CD1-CB 4.31Å
61R78Confident54.8Low67 Ų6794.8 Ų94.825%0.25352%0.521SS..EExtended strand (participates in β ladder)trans-84.6118.8171.8-169.1174.4-179.9-168.82.1109.9L63 F85 R87 Y432 Q436R61-L63 HydrophobicContact CG-CD2 3.69Å; R61-F85 WeakPolarHBondContact CA-O 3.47Å; R61-F85 PolarHBondContact N-O 2.82Å; R61-F85 PolarHBondContact O-N 3.47Å; R61-R87 HydrophobicContact CB-CB 4.2Å; R61-Y432 PolarHBondContact NH1-OH 2.94Å; R61-Q436 PolarHBondContact NH1-O 3.08Å; R61-Q436 PolarHBondContact NH2-O 3.37Å
62R76.8Confident55.5Low94 Ų9493.2 Ų93.236%0.35551%0.514SS..EExtended strand (participates in β ladder)trans-84.6115.9169.8-54.2-175179.4158.3-4.2108.9
63L75.9Confident56.5Low0 Ų092.6 Ų92.60%052%0.519CS..  trans-94.4158.4-178.9-56.6177.3000110.8R61 Q65 R82 L83 F85 Y432 P433 Q436R61-L63 HydrophobicContact CG-CD2 3.69Å; L63-Q65 PolarHBondContact O-N 2.96Å; L63-R82 WeakPolarHBondContact O-CB 3.09Å; L63-R82 WeakPolarHBondContact O-CD 3.39Å; L63-R82 WeakPolarHBondContact O-CG 3.06Å; L63-L83 HydrophobicContact CB-CB 4.18Å; L63-L83 HydrophobicContact CD1-CB 4.41Å; L63-L83 PolarHBondContact N-O 3.08Å; L63-F85 HydrophobicContact CD1-CD2 3.21Å; L63-F85 HydrophobicContact CD1-CE2 3.33Å; L63-F85 HydrophobicContact CD1-CG 4.22Å; L63-F85 HydrophobicContact CD1-CZ 4.4Å; L63-F85 HydrophobicContact CG-CD2 4.32Å; L63-Y432 HydrophobicContact CD1-CE2 4.04Å; L63-P433 HydrophobicContact CB-CG 4.48Å; L63-P433 HydrophobicContact CD1-CG 3.7Å; L63-Q436 VanDerWaalsContact CA-OE1 3.25Å; L63-Q436 HydrophobicContact CD2-CB 4.21Å
64N73.2Confident57.6Low35 Ų35100.7 Ų100.719%0.18754%0.536CS..SBendtrans5938.8179.1-56-22.6000114.5Q66 P392 Q436N64-Q66 PolarHBondContact O-N 2.97Å; N64-P392 PolarHBondContact ND2-O 2.95Å; N64-Q436 PolarHBondContact OD1-NE2 2.69Å
65Q71.4Confident58.9Low110 Ų11094 Ų9451%0.51452%0.518SS..PPolyproline II helixtrans-63.3122.7177.1179.8163.81700112.2L63 R82L63-Q65 PolarHBondContact O-N 2.96Å; Q65-R82 VanDerWaalsContact CB-NH1 3.34Å
66Q61.9Low59.8Low76 Ų7693.4 Ų93.436%0.35550%0.499SS..PPolyproline II helixtrans-92.1144.7171.9-71-173.5-39.700110.7N64 S68 N79 R396N64-Q66 PolarHBondContact O-N 2.97Å; Q66-S68 PolarHBondContact O-N 2.92Å; Q66-N79 PolarHBondContact N-OD1 2.95Å; Q66-N79 PolarHBondContact O-ND2 2.99Å; Q66-N79 VanDerWaalsContact O-ND2 3.1Å; Q66-R396 VanDerWaalsContact NE2-NH2 3.12Å
67P65.9Low61.1Low108 Ų10892 Ų9270%0.70149%0.488SS*.PPolyproline II helixtrans-55.5131.4174.3-21.631.6000110.9Q69P67-Q69 PolarHBondContact O-N 2.92Å
68S55.2Low61.8Low107 Ų10791.5 Ų91.575%0.74849%0.486SS*.  trans-68.1100.8175.843.50000110.2Q66 G70Q66-S68 PolarHBondContact O-N 2.92Å; S68-G70 VanDerWaalsContact C-N 3.26Å; S68-G70 PolarHBondContact O-N 3.32Å
69Q51Low62.9Low173 Ų17384.8 Ų84.881%0.80846%0.455SS*.  trans-93.658.1166.5-63.9-169.516.800109.5P67P67-Q69 PolarHBondContact O-N 2.92Å
70G51.5Low63.5Low55 Ų5582.8 Ų82.857%0.56744%0.442SS*.SBendtrans62177.6-175.300000114S68 G72S68-G70 VanDerWaalsContact C-N 3.26Å; S68-G70 PolarHBondContact O-N 3.32Å; G70-G72 PolarHBondContact O-N 3.02Å
71L51.9Low63.5Low136 Ų13681 Ų8171%0.71243%0.432SS*.SBendtrans-65.3126.1163.8-73.1162.5000107
72G51.2Low63.7Low22 Ų2278.9 Ų78.923%0.22742%0.424CS..  trans-58.8176.2177.600000112.1G70 R74 G75 Y76G70-G72 PolarHBondContact O-N 3.02Å; G72-R74 PolarHBondContact O-N 3.2Å; G72-G75 PolarHBondContact O-N 3.36Å; G72-Y76 PolarHBondContact N-O 2.98Å; G72-Y76 VanDerWaalsContact N-O 3.12Å
73P52.5Low64.2Low142 Ų14274.6 Ų74.692%0.92241%0.409SS*.THydrogen-bonded Turntrans-52.7-9.5-171.2-26.332.6000117.2
74R52.6Low64.7Low213 Ų21376 Ų7680%0.80442%0.415SS*.THydrogen-bonded Turntrans-133.626.5179.4-64.5-173.4176.2179.40.6114.8G72 Y76G72-R74 PolarHBondContact O-N 3.2Å; R74-Y76 PolarHBondContact O-N 3.05Å
75G54.7Low65.5Low52 Ų5274.3 Ų74.354%0.53641%0.406SS..SBendtrans73.918.2-175.200000113.3G72G72-G75 PolarHBondContact O-N 3.36Å
76Y57.4Low66.2Low101 Ų10170.8 Ų70.840%0.39639%0.389SS..  trans-75128.3-177.6170-95.8000111G72 R74 P78 Y397G72-Y76 PolarHBondContact N-O 2.98Å; G72-Y76 VanDerWaalsContact N-O 3.12Å; R74-Y76 PolarHBondContact O-N 3.05Å; Y76-P78 HydrophobicContact CE1-CB 3.9Å; Y76-Y397 AromaticContact CE2-CE1 3.8Å; Y76-Y397 HydrophobicContact CE2-CE1 3.8Å; Y76-Y397 HydrophobicContact CE2-CE2 4.39Å; Y76-Y397 AromaticContact CE2-CZ 3.51Å; Y76-Y397 WeakPolarHBondContact CE2-OH 3.46Å; Y76-Y397 AromaticContact CZ-CZ 3.75Å; Y76-Y397 WeakPolarHBondContact OH-CE2 3.49Å; Y76-Y397 PolarHBondContact OH-OH 2.87Å
77D65.7Low67.3Low71 Ų7172.4 Ų72.438%0.3839%0.392SS..  trans-98.4110.6170.7-179.215.3000110.5N79 R80D77-N79 PolarHBondContact O-N 3.42Å; D77-N79 VanDerWaalsContact O-N 3.15Å; D77-N79 VanDerWaalsContact OD1-CB 3.26Å; D77-N79 WeakPolarHBondContact OD1-CB 3.36Å; D77-N79 PolarHBondContact OD1-N 2.88Å; D77-R80 HydrophobicContact CB-CB 4.29Å; D77-R80 VanDerWaalsContact O-CB 3.32Å; D77-R80 WeakPolarHBondContact O-CB 3.3Å; D77-R80 PolarHBondContact O-N 3.13Å
78P61.8Low68.4Low25 Ų2568 Ų6816%0.16236%0.363CS..THydrogen-bonded Turntrans-63.3-19.2176.926.4-34.8000113Y76 R396Y76-P78 HydrophobicContact CE1-CB 3.9Å; P78-R396 PolarHBondContact O-NH1 3.33Å
79N74.3Confident70Confident13 Ų1365.8 Ų65.87%0.0735%0.347CS..THydrogen-bonded Turntrans-92.63.5-176.1-78.7-51.2000113.6Q66 D77 R82Q66-N79 PolarHBondContact N-OD1 2.95Å; Q66-N79 PolarHBondContact O-ND2 2.99Å; Q66-N79 VanDerWaalsContact O-ND2 3.1Å; D77-N79 PolarHBondContact O-N 3.42Å; D77-N79 VanDerWaalsContact O-N 3.15Å; D77-N79 VanDerWaalsContact OD1-CB 3.26Å; D77-N79 WeakPolarHBondContact OD1-CB 3.36Å; D77-N79 PolarHBondContact OD1-N 2.88Å; N79-R82 VanDerWaalsContact CB-CZ 3.4Å; N79-R82 VanDerWaalsContact CB-NE 3.29Å; N79-R82 WeakPolarHBondContact O-CG 3.4Å; N79-R82 PolarHBondContact O-NE 3.12Å; N79-R82 VanDerWaalsContact OD1-CD 3.24Å; N79-R82 WeakPolarHBondContact OD1-CD 3.39Å; N79-R82 PolarHBondContact OD1-NE 3.19Å; N79-R82 PolarHBondContact OD1-NH1 2.62Å
80R76.2Confident71.9Confident90 Ų9066.8 Ų66.834%0.3434%0.344SS..THydrogen-bonded Turntrans-66.1-41.6-174.3-178170.3174.4-169.4-11.9114.7D77 N174 E176 D343D77-R80 HydrophobicContact CB-CB 4.29Å; D77-R80 VanDerWaalsContact O-CB 3.32Å; D77-R80 WeakPolarHBondContact O-CB 3.3Å; D77-R80 PolarHBondContact O-N 3.13Å; R80-N174 PolarHBondContact O-ND2 3.35Å; R80-E176 HydrophobicContact CG-CB 4.49Å; R80-E176 HydrophobicContact CG-CG 3.91Å; R80-E176 IonicContact CZ-OE2 2.63Å; R80-E176 VanDerWaalsContact CZ-OE2 3.23Å; R80-E176 IonicContact NE-OE2 2.75Å; R80-E176 PolarHBondContact NE-OE2 3.03Å; R80-E176 IonicContact NH2-OE2 3.27Å; R80-E176 PolarHBondContact NH2-OE2 2.69Å; R80-D343 IonicContact CZ-OD2 3.4Å; R80-D343 VanDerWaalsContact CZ-OD2 3.24Å; R80-D343 IonicContact NH1-OD2 3.38Å; R80-D343 PolarHBondContact NH1-OD2 3.49Å; R80-D343 IonicContact NH2-OD2 3.75Å; R80-D343 PolarHBondContact NH2-OD2 3.37Å
81Y74.6Confident73.8Confident10 Ų1072.1 Ų72.14%0.03935%0.354CS..THydrogen-bonded Turntrans-100.827.9-175.5-61.5-81.5000112.7E176 Q180 Y397Y81-E176 HydrophobicContact CD1-CB 3.78Å; Y81-E176 HydrophobicContact CE1-CB 3.79Å; Y81-Q180 HydrophobicContact CD1-CG 4.24Å; Y81-Q180 HydrophobicContact CE1-CG 3.97Å; Y81-Q180 VanDerWaalsContact CE1-NE2 3.34Å; Y81-Q180 PolarHBondContact OH-NE2 2.99Å; Y81-Y397 HydrophobicContact CD2-CD1 4.09Å; Y81-Y397 AromaticContact CD2-CE1 3.42Å; Y81-Y397 HydrophobicContact CD2-CE1 3.42Å; Y81-Y397 VanDerWaalsContact CD2-CE1 3.42Å; Y81-Y397 AromaticContact CD2-CZ 3.57Å; Y81-Y397 WeakPolarHBondContact CD2-OH 3.47Å; Y81-Y397 AromaticContact CE2-CD1 3.73Å; Y81-Y397 HydrophobicContact CE2-CD1 3.73Å; Y81-Y397 AromaticContact CE2-CE1 3.15Å; Y81-Y397 HydrophobicContact CE2-CE1 3.15Å; Y81-Y397 AromaticContact CE2-CZ 3.81Å
82R81.5Confident75.7Confident23 Ų2366.4 Ų66.49%0.08732%0.323CS..  trans-69.8148.6177.4-75.3-176.8-63176.7-3.2110.7L63 Q65 N79 H84 N174L63-R82 WeakPolarHBondContact O-CB 3.09Å; L63-R82 WeakPolarHBondContact O-CD 3.39Å; L63-R82 WeakPolarHBondContact O-CG 3.06Å; Q65-R82 VanDerWaalsContact CB-NH1 3.34Å; N79-R82 VanDerWaalsContact CB-CZ 3.4Å; N79-R82 VanDerWaalsContact CB-NE 3.29Å; N79-R82 WeakPolarHBondContact O-CG 3.4Å; N79-R82 PolarHBondContact O-NE 3.12Å; N79-R82 VanDerWaalsContact OD1-CD 3.24Å; N79-R82 WeakPolarHBondContact OD1-CD 3.39Å; N79-R82 PolarHBondContact OD1-NE 3.19Å; N79-R82 PolarHBondContact OD1-NH1 2.62Å; R82-H84 PolarHBondContact O-CD2 2.84Å; R82-H84 PolarHBondContact O-N 3.42Å; R82-N174 PolarHBondContact O-ND2 2.92Å
83L87.1Confident77.7Confident5 Ų565.5 Ų65.53%0.02631%0.314CS..  trans-66.6126172.3-60.9171.9000109.1L63 F85 E172 P392L63-L83 HydrophobicContact CB-CB 4.18Å; L63-L83 HydrophobicContact CD1-CB 4.41Å; L63-L83 PolarHBondContact N-O 3.08Å; L83-F85 HydrophobicContact CB-CE1 4.11Å; L83-F85 HydrophobicContact CB-CE2 4.17Å; L83-F85 HydrophobicContact CB-CZ 3.72Å; L83-F85 HydrophobicContact CD1-CE2 4.24Å; L83-F85 HydrophobicContact CD1-CZ 3.91Å; L83-F85 HydrophobicContact CD2-CE1 4.41Å; L83-F85 HydrophobicContact CD2-CZ 4.03Å; L83-F85 HydrophobicContact CG-CZ 4.1Å; L83-E172 WeakPolarHBondContact CD2-OE2 3.49Å; L83-P392 HydrophobicContact CD1-CB 3.89Å
84H87Confident79.7Confident28 Ų2862 Ų6213%0.1329%0.285CS..EExtended strand (participates in β ladder)trans-111.6110.3174.7-70179000108.7I60 R82 E172 H173 N174I60-H84 HydrophobicContact CG2-CB 3.74Å; R82-H84 PolarHBondContact O-CD2 2.84Å; R82-H84 PolarHBondContact O-N 3.42Å; H84-E172 PolarHBondContact N-OE1 3.03Å; H84-H173 HydrophobicContact CB-CB 3.88Å; H84-H173 WeakPolarHBondContact O-CB 3.48Å; H84-H173 PolarHBondContact O-N 3.41Å; H84-N174 HydrophobicContact CB-CB 4.04Å
85F90.1Very high81.7Confident0 Ų058 Ų580%027%0.27CS..EExtended strand (participates in β ladder)trans-120.3156.6175.2-56-31.4000110.8I60 R61 L63 L83 Y170 F171 I416 Y432I60-F85 CarbonylContact C-O 3.53Å; I60-F85 WeakPolarHBondContact CA-O 3.37Å; R61-F85 WeakPolarHBondContact CA-O 3.47Å; R61-F85 PolarHBondContact N-O 2.82Å; R61-F85 PolarHBondContact O-N 3.47Å; L63-F85 HydrophobicContact CD1-CD2 3.21Å; L63-F85 HydrophobicContact CD1-CE2 3.33Å; L63-F85 HydrophobicContact CD1-CG 4.22Å; L63-F85 HydrophobicContact CD1-CZ 4.4Å; L63-F85 HydrophobicContact CG-CD2 4.32Å; L83-F85 HydrophobicContact CB-CE1 4.11Å; L83-F85 HydrophobicContact CB-CE2 4.17Å; L83-F85 HydrophobicContact CB-CZ 3.72Å; L83-F85 HydrophobicContact CD1-CE2 4.24Å; L83-F85 HydrophobicContact CD1-CZ 3.91Å; L83-F85 HydrophobicContact CD2-CE1 4.41Å; L83-F85 HydrophobicContact CD2-CZ 4.03Å; L83-F85 HydrophobicContact CG-CZ 4.1Å; F85-Y170 HydrophobicContact CB-CD1 4.07Å; F85-F171 VanDerWaalsContact CD1-O 3.28Å; F85-F171 WeakPolarHBondContact CD1-O 3.4Å; F85-I416 HydrophobicContact CE1-CD1 3.61Å; F85-I416 HydrophobicContact CE2-CD1 4.22Å; F85-I416 HydrophobicContact CZ-CD1 3.21Å; F85-Y432 AromaticContact CD2-CD2 3.62Å; F85-Y432 HydrophobicContact CD2-CD2 3.62Å; F85-Y432 AromaticContact CD2-CE2 3.49Å; F85-Y432 HydrophobicContact CD2-CE2 3.49Å; F85-Y432 VanDerWaalsContact CD2-CE2 3.49Å; F85-Y432 AromaticContact CE2-CD2 3.81Å; F85-Y432 HydrophobicContact CE2-CD2 3.81Å; F85-Y432 HydrophobicContact CE2-CE2 4.09Å
86E86.8Confident83.7Confident36 Ų3656.3 Ų56.317%0.16825%0.247CC..EExtended strand (participates in β ladder)trans-62.2141170.6-163.4177.2-172.600111.3H59 H160 S165H59-E86 CarbonylContact O-C 3.58Å; H59-E86 WeakPolarHBondContact O-CA 3.21Å; E86-H160 IonicContact OE2-CE1 3.42Å; E86-S165 VanDerWaalsContact OE1-CB 3.29Å; E86-S165 WeakPolarHBondContact OE1-CB 3.19Å; E86-S165 PolarHBondContact OE1-OG 2.62Å; E86-S165 VanDerWaalsContact OE1-OG 3.1Å; E86-S165 WeakPolarHBondContact OE2-CB 3.49Å; E86-S165 PolarHBondContact OE2-OG 2.87Å
87R84.9Confident85.5Confident111 Ų11154 Ų5442%0.41924%0.239SC..PPolyproline II helixtrans-83.9129.4179.2-174.8-177.8177.6166.64.7110H59 R61 S89H59-R87 WeakPolarHBondContact O-CB 3.34Å; H59-R87 PolarHBondContact O-N 3.05Å; R61-R87 HydrophobicContact CB-CB 4.2Å; R87-S89 PolarHBondContact O-N 3.01Å
88D87.4Confident87Confident16 Ų1656.6 Ų56.69%0.08624%0.244CC..PPolyproline II helixtrans-58.6133.3169.3-70.1-1.2000111.5V93 R96 Y170 R423D88-V93 HydrophobicContact CB-CG2 3.67Å; D88-R96 IonicContact OD2-CZ 3.01Å; D88-R96 IonicContact OD2-NH1 2.66Å; D88-R96 PolarHBondContact OD2-NH1 3.31Å; D88-Y170 VanDerWaalsContact CG-OH 3.22Å; D88-Y170 PolarHBondContact OD1-OH 3.27Å; D88-Y170 PolarHBondContact OD2-OH 3.19Å; D88-R423 IonicContact OD1-CZ 3.85Å; D88-R423 IonicContact OD1-NH1 2.99Å; D88-R423 PolarHBondContact OD1-NH1 2.96Å
89S89.7Confident88.7Confident60 Ų6056.6 Ų56.642%0.4225%0.246SC..PPolyproline II helixtrans-62.9149170.679.40000109.9R87 E91 E92 V93R87-S89 PolarHBondContact O-N 3.01Å; S89-E91 PolarHBondContact O-N 3.39Å; S89-E92 PolarHBondContact O-N 3.3Å; S89-E92 VanDerWaalsContact OG-CB 3.28Å; S89-E92 WeakPolarHBondContact OG-CB 3.49Å; S89-E92 PolarHBondContact OG-N 3.05Å; S89-E92 VanDerWaalsContact OG-N 3.14Å; S89-V93 WeakPolarHBondContact O-CG2 3.45Å; S89-V93 PolarHBondContact O-N 3.33Å
90R89.9Confident89.7Confident194 Ų19456.1 Ų56.173%0.73224%0.244SC*.Hα-helixtrans-59.8-35.5177.6-174.2178.1179.7-178.40.5111.8V93 E94R90-V93 PolarHBondContact O-N 3.17Å; R90-E94 WeakPolarHBondContact O-CG 3.48Å; R90-E94 PolarHBondContact O-N 3.39Å
91E92.4Very high90.7Very high166 Ų16657.1 Ų57.178%0.77625%0.247SC*.Hα-helixtrans-63.5-44178.4-65.1177.3-178.800111.3S89 E94 R95S89-E91 PolarHBondContact O-N 3.39Å; E91-E94 PolarHBondContact O-N 2.99Å; E91-R95 WeakPolarHBondContact O-CB 3.14Å; E91-R95 PolarHBondContact O-N 2.86Å
92E91.3Very high91.7Very high16 Ų1663.1 Ų63.18%0.07528%0.276CS..Hα-helixtrans-66.3-41.8178.1177.458.8-169.400111.8S89 E94 R95 R96S89-E92 PolarHBondContact O-N 3.3Å; S89-E92 VanDerWaalsContact OG-CB 3.28Å; S89-E92 WeakPolarHBondContact OG-CB 3.49Å; S89-E92 PolarHBondContact OG-N 3.05Å; S89-E92 VanDerWaalsContact OG-N 3.14Å; E92-E94 PolarHBondContact O-N 2.78Å; E92-R95 PolarHBondContact O-N 3.49Å; E92-R95 IonicContact OE1-CZ 3.39Å; E92-R95 IonicContact OE1-NE 2.82Å; E92-R95 IonicContact OE1-NH2 3.69Å; E92-R95 PolarHBondContact OE1-NH2 2.87Å; E92-R95 IonicContact OE2-CZ 3.17Å; E92-R95 VanDerWaalsContact OE2-CZ 3.27Å; E92-R95 IonicContact OE2-NE 2.61Å; E92-R95 PolarHBondContact OE2-NE 3.41Å; E92-R95 IonicContact OE2-NH2 3.3Å; E92-R95 PolarHBondContact OE2-NH2 3.19Å; E92-R96 VanDerWaalsContact CG-NH2 3.28Å; E92-R96 WeakPolarHBondContact O-CG 3.47Å; E92-R96 PolarHBondContact O-N 3.08Å; E92-R96 IonicContact OE1-CZ 3.35Å; E92-R96 IonicContact OE1-NE 2.84Å; E92-R96 PolarHBondContact OE1-NE 3.08Å; E92-R96 IonicContact OE1-NH2 3.23Å; E92-R96 PolarHBondContact OE1-NH2 3.09Å
93V93.1Very high92.3Very high3 Ų368 Ų682%0.01830%0.3CS..Hα-helixtrans-59.8-46.9174.51730000111.1D88 S89 R90 R96 K97 Q438 E439D88-V93 HydrophobicContact CB-CG2 3.67Å; S89-V93 WeakPolarHBondContact O-CG2 3.45Å; S89-V93 PolarHBondContact O-N 3.33Å; R90-V93 PolarHBondContact O-N 3.17Å; V93-R96 PolarHBondContact O-N 3.42Å; V93-K97 WeakPolarHBondContact O-CG 3.44Å; V93-K97 PolarHBondContact O-N 3.49Å; V93-Q438 HydrophobicContact CG1-CB 4.17Å; V93-Q438 HydrophobicContact CG2-CB 4.39Å; V93-E439 HydrophobicContact CG1-CB 4.31Å
94E95.1Very high92.7Very high68 Ų6871.3 Ų71.332%0.31832%0.32SS..Hα-helixtrans-69.4-33.7179.2-69.7-55.1131.100112.6R90 E91 E92 K97 R98R90-E94 WeakPolarHBondContact O-CG 3.48Å; R90-E94 PolarHBondContact O-N 3.39Å; E91-E94 PolarHBondContact O-N 2.99Å; E92-E94 PolarHBondContact O-N 2.78Å; E94-K97 PolarHBondContact O-N 3.27Å; E94-K97 IonicContact OE1-NZ 2.67Å; E94-K97 PolarHBondContact OE1-NZ 3.12Å; E94-R98 WeakPolarHBondContact O-CB 3.21Å; E94-R98 PolarHBondContact O-N 3.41Å
95R95.4Very high93.2Very high129 Ų12971.4 Ų71.449%0.48732%0.321SS..Hα-helixtrans-61.1-45172.7-171.8-172.768.480.5-1.9111.3E91 E92 R98 A99E91-R95 WeakPolarHBondContact O-CB 3.14Å; E91-R95 PolarHBondContact O-N 2.86Å; E92-R95 PolarHBondContact O-N 3.49Å; E92-R95 IonicContact OE1-CZ 3.39Å; E92-R95 IonicContact OE1-NE 2.82Å; E92-R95 IonicContact OE1-NH2 3.69Å; E92-R95 PolarHBondContact OE1-NH2 2.87Å; E92-R95 IonicContact OE2-CZ 3.17Å; E92-R95 VanDerWaalsContact OE2-CZ 3.27Å; E92-R95 IonicContact OE2-NE 2.61Å; E92-R95 PolarHBondContact OE2-NE 3.41Å; E92-R95 IonicContact OE2-NH2 3.3Å; E92-R95 PolarHBondContact OE2-NH2 3.19Å; R95-R98 PolarHBondContact O-N 3.44Å; R95-A99 PolarHBondContact O-N 2.9Å
96R95.7Very high93.3Very high17 Ų1778.4 Ų78.46%0.06435%0.354CS..Hα-helixtrans-65.1-43.9176.4-70.8-178.1-163.5153.28.8112.3D88 E92 V93 R98 A99 A100 E439 T442D88-R96 IonicContact OD2-CZ 3.01Å; D88-R96 IonicContact OD2-NH1 2.66Å; D88-R96 PolarHBondContact OD2-NH1 3.31Å; E92-R96 VanDerWaalsContact CG-NH2 3.28Å; E92-R96 WeakPolarHBondContact O-CG 3.47Å; E92-R96 PolarHBondContact O-N 3.08Å; E92-R96 IonicContact OE1-CZ 3.35Å; E92-R96 IonicContact OE1-NE 2.84Å; E92-R96 PolarHBondContact OE1-NE 3.08Å; E92-R96 IonicContact OE1-NH2 3.23Å; E92-R96 PolarHBondContact OE1-NH2 3.09Å; V93-R96 PolarHBondContact O-N 3.42Å; R96-R98 VanDerWaalsContact C-N 3.27Å; R96-R98 PolarHBondContact O-N 3.29Å; R96-A99 PolarHBondContact O-N 3.48Å; R96-A100 WeakPolarHBondContact O-CB 3.43Å; R96-A100 PolarHBondContact O-N 3.08Å; R96-E439 HydrophobicContact CB-CG 4.02Å; R96-E439 WeakPolarHBondContact CB-OE2 3.48Å; R96-T442 HydrophobicContact CB-CG2 3.72Å; R96-T442 HydrophobicContact CG-CG2 4.24Å; R96-T442 VanDerWaalsContact O-CG2 3.24Å; R96-T442 WeakPolarHBondContact O-CG2 3.45Å
97K96Very high93.7Very high52 Ų5282.5 Ų82.523%0.22638%0.384CS..Hα-helixtrans-58-39.7173.9-73.9-179.7-171.7166.10112.5V93 E94 R101 E439V93-K97 WeakPolarHBondContact O-CG 3.44Å; V93-K97 PolarHBondContact O-N 3.49Å; E94-K97 PolarHBondContact O-N 3.27Å; E94-K97 IonicContact OE1-NZ 2.67Å; E94-K97 PolarHBondContact OE1-NZ 3.12Å; K97-R101 PolarHBondContact O-N 2.98Å; K97-R101 PolarHBondContact O-NE 3.39Å; K97-E439 HydrophobicContact CB-CG 4.24Å; K97-E439 HydrophobicContact CG-CB 4.28Å; K97-E439 HydrophobicContact CG-CG 3.36Å
98R97Very high94.2Very high126 Ų12679.3 Ų79.348%0.47538%0.376SS..Hα-helixtrans-65.5-50.7176-171-176.3-58.9106.83.3110.8E94 R95 R96 A100 R101 E102E94-R98 WeakPolarHBondContact O-CB 3.21Å; E94-R98 PolarHBondContact O-N 3.41Å; R95-R98 PolarHBondContact O-N 3.44Å; R96-R98 VanDerWaalsContact C-N 3.27Å; R96-R98 PolarHBondContact O-N 3.29Å; R98-A100 VanDerWaalsContact C-N 3.27Å; R98-A100 PolarHBondContact O-N 3.4Å; R98-R101 PolarHBondContact O-N 3.5Å; R98-E102 WeakPolarHBondContact CD-OE2 3.37Å; R98-E102 HydrophobicContact CG-CG 4.29Å; R98-E102 WeakPolarHBondContact CG-OE1 3.42Å; R98-E102 VanDerWaalsContact CG-OE2 3.31Å; R98-E102 WeakPolarHBondContact CG-OE2 3.3Å; R98-E102 PolarHBondContact O-N 3.33Å
99A96.2Very high94.5Very high25 Ų2581.2 Ų81.221%0.20739%0.391CS..Hα-helixtrans-56.3-42.2177.500000111.9R95 R96 R101 E102 Q103R95-A99 PolarHBondContact O-N 2.9Å; R96-A99 PolarHBondContact O-N 3.48Å; A99-R101 PolarHBondContact O-N 2.82Å; A99-E102 PolarHBondContact O-N 2.99Å; A99-Q103 WeakPolarHBondContact O-CA 3.47Å; A99-Q103 WeakPolarHBondContact O-CB 3.39Å; A99-Q103 PolarHBondContact O-N 3.26Å
100A96.8Very high94.6Very high3 Ų380.7 Ų80.73%0.02539%0.39CS..Hα-helixtrans-61.1-26.8178.200000114.6R96 R98 Y441 T442 C474 A475 W476R96-A100 WeakPolarHBondContact O-CB 3.43Å; R96-A100 PolarHBondContact O-N 3.08Å; R98-A100 VanDerWaalsContact C-N 3.27Å; R98-A100 PolarHBondContact O-N 3.4Å; A100-Y441 HydrophobicContact CB-CG 4.48Å; A100-T442 HydrophobicContact CB-CG2 4.12Å; A100-C474 PolarHBondContact O-SG 2.59Å; A100-C474 VanDerWaalsContact O-SG 3.33Å; A100-A475 HydrophobicContact CB-CB 4.19Å; A100-A475 PolarHBondContact O-N 3.06Å; A100-W476 WeakPolarHBondContact O-CB 3.35Å; A100-W476 PolarHBondContact O-N 3.39Å
101R96Very high94.8Very high111 Ų11176.6 Ų76.642%0.41938%0.38SS..Hα-helixtrans-92.2-31178.9-72.4-174.7-74.8-108.11.9113.8K97 R98 A99 C474 W476K97-R101 PolarHBondContact O-N 2.98Å; K97-R101 PolarHBondContact O-NE 3.39Å; R98-R101 PolarHBondContact O-N 3.5Å; A99-R101 PolarHBondContact O-N 2.82Å; R101-C474 PolarHBondContact O-SG 3.35Å; R101-W476 HydrophobicContact CG-CB 3.97Å; R101-W476 HydrophobicContact CG-CD2 3.83Å; R101-W476 HydrophobicContact CG-CE3 3.81Å; R101-W476 HydrophobicContact CG-CG 3.91Å
102E95.2Very high94.9Very high137 Ų13773.6 Ų73.664%0.6437%0.368SS*.Hα-helixtrans-105.8-28.3-170.5-66.7172.5-169.200112.8R98 A99 V104R98-E102 WeakPolarHBondContact CD-OE2 3.37Å; R98-E102 HydrophobicContact CG-CG 4.29Å; R98-E102 WeakPolarHBondContact CG-OE1 3.42Å; R98-E102 VanDerWaalsContact CG-OE2 3.31Å; R98-E102 WeakPolarHBondContact CG-OE2 3.3Å; R98-E102 PolarHBondContact O-N 3.33Å; A99-E102 PolarHBondContact O-N 2.99Å; E102-V104 PolarHBondContact O-N 3.21Å
103Q95.6Very high95.1Very high125 Ų12574 Ų7458%0.58437%0.371SS*.  trans-80.4110.8-176.1-171.6176.1-0.600110.4A99 L105 C474A99-Q103 WeakPolarHBondContact O-CA 3.47Å; A99-Q103 WeakPolarHBondContact O-CB 3.39Å; A99-Q103 PolarHBondContact O-N 3.26Å; Q103-L105 PolarHBondContact O-N 2.96Å; Q103-C474 WeakPolarHBondContact O-CB 3.46Å
104V96Very high95.3Very high75 Ų7575.8 Ų75.846%0.45538%0.379SS..BIsolated β-bridgetrans-64.2128.4170.2179.20000109.5E102 P472E102-V104 PolarHBondContact O-N 3.21Å; V104-P472 HydrophobicContact CG1-CB 3.66Å; V104-P472 HydrophobicContact CG2-CB 4.13Å
105L95.8Very high95.4Very high29 Ų2973.2 Ų73.215%0.15237%0.367CS..  trans-79.5132.8178.7-59.5176.3000110.1Q103 A448 W473 A475 I478Q103-L105 PolarHBondContact O-N 2.96Å; L105-A448 HydrophobicContact CD1-CB 4.01Å; L105-W473 WeakPolarHBondContact CB-O 3.4Å; L105-W473 PolarHBondContact N-O 3.42Å; L105-A475 HydrophobicContact CD1-CB 4.49Å; L105-I478 HydrophobicContact CD1-CD1 3.4Å
106Q93.9Very high95.5Very high148 Ų14868.4 Ų68.469%0.69235%0.351SS*.  trans-116.3139.6170.5-64.2-177.10.900109.1V108 S449Q106-V108 PolarHBondContact O-N 2.79Å; Q106-S449 WeakPolarHBondContact O-CB 3.36Å; Q106-S449 PolarHBondContact O-OG 3.17Å
107P94.4Very high95.5Very high122 Ų12267.9 Ų67.979%0.79235%0.35SS*.PPolyproline II helixtrans-58.7130.9169.4-21.933.3000110.2S449P107-S449 CarbonylContact C-O 3.57Å; P107-S449 WeakPolarHBondContact CA-O 3.39Å
108V94.7Very high95.5Very high43 Ų4372.9 Ų72.926%0.26137%0.367SS..PPolyproline II helixtrans-81.7156.5174-56.70000110.7Q106 L112 S449 R450Q106-V108 PolarHBondContact O-N 2.79Å; V108-L112 HydrophobicContact CB-CB 3.98Å; V108-L112 HydrophobicContact CB-CD1 3.79Å; V108-L112 HydrophobicContact CG1-CD1 4.12Å; V108-L112 HydrophobicContact CG2-CB 4.12Å; V108-S449 WeakPolarHBondContact CG2-O 3.42Å; V108-S449 PolarHBondContact N-O 3.32Å; V108-R450 HydrophobicContact CG2-CB 4.39Å; V108-R450 HydrophobicContact CG2-CG 3.51Å
109S94.7Very high95.4Very high57 Ų5772.6 Ų72.640%0.39937%0.371SS..PPolyproline II helixtrans-72.9163.7174.576.10000111.6E111 L112S109-E111 WeakPolarHBondContact CB-OE2 3.37Å; S109-E111 PolarHBondContact O-N 2.81Å; S109-E111 PolarHBondContact OG-OE2 3.17Å; S109-L112 PolarHBondContact O-N 3.38Å; S109-L112 VanDerWaalsContact O-N 3.15Å
110A91.8Very high95.5Very high49 Ų4971.4 Ų71.441%0.40536%0.362SS..G310 helixtrans-62.9-30.5-178.300000112.5L112 L113 S524A110-L112 VanDerWaalsContact C-N 3.27Å; A110-L112 PolarHBondContact O-N 3.25Å; A110-L113 WeakPolarHBondContact O-CB 3.31Å; A110-L113 PolarHBondContact O-N 3.42Å; A110-L113 VanDerWaalsContact O-N 3.08Å; A110-S524 PolarHBondContact O-OG 2.98Å
111E93.7Very high95.5Very high108 Ų10871.6 Ų71.651%0.50536%0.362SS..G310 helixtrans-66.4-29.5178.5-54.473.3-155.500111.5S109 L113 E114S109-E111 WeakPolarHBondContact CB-OE2 3.37Å; S109-E111 PolarHBondContact O-N 2.81Å; S109-E111 PolarHBondContact OG-OE2 3.17Å; E111-L113 PolarHBondContact O-N 3.3Å; E111-E114 VanDerWaalsContact O-CB 3.3Å; E111-E114 WeakPolarHBondContact O-CB 3.41Å; E111-E114 PolarHBondContact O-N 3.2Å
112L94.7Very high95.4Very high102 Ų10270.1 Ų70.153%0.53436%0.359SS..G310 helixtrans-77.2-1.9175.3-69.6176.2000113.7V108 S109 A110V108-L112 HydrophobicContact CB-CB 3.98Å; V108-L112 HydrophobicContact CB-CD1 3.79Å; V108-L112 HydrophobicContact CG1-CD1 4.12Å; V108-L112 HydrophobicContact CG2-CB 4.12Å; S109-L112 PolarHBondContact O-N 3.38Å; S109-L112 VanDerWaalsContact O-N 3.15Å; A110-L112 VanDerWaalsContact C-N 3.27Å; A110-L112 PolarHBondContact O-N 3.25Å
113L96Very high95.2Very high26 Ų2666.8 Ų66.814%0.13635%0.35CS..G310 helixtrans-93.9-8.7165.3-65.2171.4000112A110 E111 R450 L516 F518 H519A110-L113 WeakPolarHBondContact O-CB 3.31Å; A110-L113 PolarHBondContact O-N 3.42Å; A110-L113 VanDerWaalsContact O-N 3.08Å; E111-L113 PolarHBondContact O-N 3.3Å; L113-R450 HydrophobicContact CD2-CB 3.89Å; L113-R450 HydrophobicContact CD2-CG 3.68Å; L113-L516 HydrophobicContact CD2-CD1 3.97Å; L113-F518 CarbonylContact O-C 3.58Å; L113-F518 VanDerWaalsContact O-CA 3.28Å; L113-F518 WeakPolarHBondContact O-CA 3.36Å; L113-F518 VanDerWaalsContact O-CD1 3.31Å; L113-F518 WeakPolarHBondContact O-CD1 3.45Å; L113-H519 VanDerWaalsContact CB-CE1 3.48Å; L113-H519 WeakPolarHBondContact CB-CE1 3.38Å; L113-H519 WeakPolarHBondContact CB-ND1 3.2Å; L113-H519 PolarHBondContact O-N 2.89Å
114E97.5Very high94.9Very high39 Ų3964.9 Ų64.918%0.18236%0.364CS..BIsolated β-bridgetrans-75137.2169.5-55.9-174.3175.900109.4E111 H519 G522 Y523 S524E111-E114 VanDerWaalsContact O-CB 3.3Å; E111-E114 WeakPolarHBondContact O-CB 3.41Å; E111-E114 PolarHBondContact O-N 3.2Å; E114-H519 VanDerWaalsContact CA-O 3.32Å; E114-H519 WeakPolarHBondContact CA-O 3.06Å; E114-H519 HydrophobicContact CG-CB 4.21Å; E114-G522 PolarHBondContact OE2-N 3.27Å; E114-Y523 PolarHBondContact OE1-N 3.03Å; E114-S524 WeakPolarHBondContact OE1-CB 3.29Å; E114-S524 PolarHBondContact OE1-N 3.25Å; E114-S524 PolarHBondContact OE1-OG 3.33Å
115L96.9Very high94.8Very high14 Ų1463 Ų637%0.07335%0.354CS..  trans-134.3107.9-179-176.261.4000109.5E119 V120 V201 V202 L421 L425 F518 H519L115-E119 HydrophobicContact CD1-CB 4.34Å; L115-V120 HydrophobicContact CD1-CG2 3.91Å; L115-V120 HydrophobicContact CD2-CG2 3.88Å; L115-V120 HydrophobicContact CG-CG2 3.91Å; L115-V201 HydrophobicContact CB-CG2 4.14Å; L115-V201 HydrophobicContact CD2-CG2 3.7Å; L115-V201 HydrophobicContact CG-CG2 3.79Å; L115-V202 HydrophobicContact CD2-CG2 3.67Å; L115-L421 HydrophobicContact CD2-CD1 4.47Å; L115-L425 HydrophobicContact CD2-CD2 4.44Å; L115-F518 HydrophobicContact CB-CB 4.32Å; L115-F518 HydrophobicContact CB-CD1 3.92Å; L115-F518 HydrophobicContact CB-CG 4.44Å; L115-F518 HydrophobicContact CD2-CD1 4.17Å; L115-F518 HydrophobicContact CD2-CG 4.37Å; L115-H519 PolarHBondContact N-O 3.35Å
116D96.4Very high94.8Very high29 Ų2964.1 Ų64.116%0.15536%0.362CS..  trans-74.4136.3170.2-167.5-38.3000109.2R118 E119 P521D116-R118 PolarHBondContact O-N 2.93Å; D116-R118 VanDerWaalsContact O-N 3.12Å; D116-R118 WeakPolarHBondContact OD1-CB 3.23Å; D116-R118 PolarHBondContact OD1-N 2.92Å; D116-R118 IonicContact OD1-NE 2.67Å; D116-R118 PolarHBondContact OD1-NE 3.07Å; D116-R118 IonicContact OD2-CZ 3.89Å; D116-R118 IonicContact OD2-NE 3.88Å; D116-R118 PolarHBondContact OD2-NE 3.36Å; D116-R118 IonicContact OD2-NH2 2.92Å; D116-R118 PolarHBondContact OD2-NH2 3.46Å; D116-E119 HydrophobicContact CB-CG 4.3Å; D116-E119 WeakPolarHBondContact O-CB 3.5Å; D116-E119 PolarHBondContact O-N 3.18Å; D116-P521 HydrophobicContact CB-CG 3.78Å
117I96.6Very high94.8Very high6 Ų657.5 Ų57.53%0.03133%0.331CS..Hα-helixtrans-56.1-27.8174.8-163.5160.9000113.1E119 V120 Y121 V201 F204 P206 Y241I117-E119 PolarHBondContact O-N 3.01Å; I117-V120 PolarHBondContact O-N 2.97Å; I117-Y121 HydrophobicContact CG1-CD2 3.98Å; I117-Y121 PolarHBondContact O-N 3.33Å; I117-V201 HydrophobicContact CB-CB 4.13Å; I117-V201 HydrophobicContact CB-CG1 4.06Å; I117-V201 HydrophobicContact CD1-CB 4.45Å; I117-V201 HydrophobicContact CD1-CG1 4.44Å; I117-V201 HydrophobicContact CG1-CB 4.23Å; I117-V201 HydrophobicContact CG1-CG1 4.48Å; I117-F204 HydrophobicContact CD1-CD1 3.67Å; I117-F204 HydrophobicContact CD1-CE1 4.44Å; I117-P206 HydrophobicContact CD1-CG 3.71Å; I117-P206 HydrophobicContact CG1-CG 4Å; I117-Y241 VanDerWaalsContact CG2-OH 3.27Å; I117-Y241 WeakPolarHBondContact CG2-OH 3.5Å
118R96.2Very high94.8Very high156 Ų15653.5 Ų53.559%0.58930%0.303SS*.Hα-helixtrans-70.6-16.5176.7-73176.5-86.8-166.5-7114.1D116 Y121D116-R118 PolarHBondContact O-N 2.93Å; D116-R118 VanDerWaalsContact O-N 3.12Å; D116-R118 WeakPolarHBondContact OD1-CB 3.23Å; D116-R118 PolarHBondContact OD1-N 2.92Å; D116-R118 IonicContact OD1-NE 2.67Å; D116-R118 PolarHBondContact OD1-NE 3.07Å; D116-R118 IonicContact OD2-CZ 3.89Å; D116-R118 IonicContact OD2-NE 3.88Å; D116-R118 PolarHBondContact OD2-NE 3.36Å; D116-R118 IonicContact OD2-NH2 2.92Å; D116-R118 PolarHBondContact OD2-NH2 3.46Å; R118-Y121 CarbonylContact C-O 3.57Å; R118-Y121 VanDerWaalsContact C-O 3.28Å; R118-Y121 VanDerWaalsContact CA-O 3.24Å; R118-Y121 WeakPolarHBondContact CA-O 3.35Å
119E95.4Very high94.8Very high120 Ų12051.7 Ų51.756%0.56129%0.292SS*.Hα-helixtrans-82.5-29171.5-64.4175.8-138.800111.5L115 D116 I117L115-E119 HydrophobicContact CD1-CB 4.34Å; D116-E119 HydrophobicContact CB-CG 4.3Å; D116-E119 WeakPolarHBondContact O-CB 3.5Å; D116-E119 PolarHBondContact O-N 3.18Å; I117-E119 PolarHBondContact O-N 3.01Å
120V97Very high94.8Very high1 Ų149.1 Ų49.11%0.00627%0.274CS..Hα-helixtrans-83.4-50.5178.4-175.30000110.6L115 I117 S419 L420 L421L115-V120 HydrophobicContact CD1-CG2 3.91Å; L115-V120 HydrophobicContact CD2-CG2 3.88Å; L115-V120 HydrophobicContact CG-CG2 3.91Å; I117-V120 PolarHBondContact O-N 2.97Å; V120-S419 WeakPolarHBondContact O-CA 3.07Å; V120-S419 WeakPolarHBondContact O-CB 3.42Å; V120-L420 PolarHBondContact O-N 3.39Å; V120-L421 HydrophobicContact CG1-CB 4.43Å; V120-L421 HydrophobicContact CG1-CD1 4.08Å; V120-L421 HydrophobicContact CG2-CD1 3.9Å
121Y97Very high94.9Very high6 Ų651.1 Ų51.12%0.02427%0.271CS..  trans-119.5150.9-176.9-59.8-74.2000110.2I117 R118 P123 V201 V202 F204 P205 P206 F368 F417I117-Y121 HydrophobicContact CG1-CD2 3.98Å; I117-Y121 PolarHBondContact O-N 3.33Å; R118-Y121 CarbonylContact C-O 3.57Å; R118-Y121 VanDerWaalsContact C-O 3.28Å; R118-Y121 VanDerWaalsContact CA-O 3.24Å; R118-Y121 WeakPolarHBondContact CA-O 3.35Å; Y121-P123 WeakPolarHBondContact O-CD 3.29Å; Y121-V201 WeakPolarHBondContact CE2-O 3.5Å; Y121-V202 PolarHBondContact OH-O 3.5Å; Y121-F204 WeakPolarHBondContact CE2-O 3.18Å; Y121-P205 HydrophobicContact CE1-CB 4.09Å; Y121-P206 VanDerWaalsContact CD2-CD 3.47Å; Y121-P206 HydrophobicContact CD2-CG 4.33Å; Y121-P206 HydrophobicContact CG-CG 4.44Å; Y121-F368 WeakPolarHBondContact OH-CZ 3.31Å; Y121-F417 HydrophobicContact CE1-CB 4.25Å
122Q94.3Very high94.9Very high80 Ų8048.3 Ų48.337%0.37426%0.256SS..  trans-117.787.8172.1-67-174.8-18.100108.2G124 S125 L127 Y163 L420Q122-G124 PolarHBondContact O-N 2.9Å; Q122-S125 WeakPolarHBondContact CB-OG 3.34Å; Q122-S125 WeakPolarHBondContact O-CB 3.17Å; Q122-S125 PolarHBondContact O-N 3.16Å; Q122-S125 PolarHBondContact O-OG 3.25Å; Q122-L127 HydrophobicContact CB-CD1 4.39Å; Q122-L127 HydrophobicContact CG-CD1 4.49Å; Q122-Y163 PolarHBondContact OE1-OH 3.06Å; Q122-L420 HydrophobicContact CG-CD1 4.14Å
123P91Very high94.8Very high68 Ų6844 Ų4444%0.44223%0.234SC..THydrogen-bonded Turntrans-52.3134.8178.7-26.234.5000111.5Y121 S125 P206Y121-P123 WeakPolarHBondContact O-CD 3.29Å; P123-S125 VanDerWaalsContact C-N 3.27Å; P123-S125 PolarHBondContact O-N 3.39Å; P123-P206 HydrophobicContact CG-CB 3.98Å; P123-P206 HydrophobicContact CG-CG 4.1Å
124G89.5Confident94.5Very high85 Ų8548.1 Ų48.188%0.87626%0.262SS*.THydrogen-bonded Turntrans78.6-2.2-174.700000115.7Q122Q122-G124 PolarHBondContact O-N 2.9Å
125S94.4Very high94Very high36 Ų3648 Ų4825%0.25226%0.26SS..SBendtrans-83.4-174.4168.978.10000111.8Q122 P123 L127Q122-S125 WeakPolarHBondContact CB-OG 3.34Å; Q122-S125 WeakPolarHBondContact O-CB 3.17Å; Q122-S125 PolarHBondContact O-N 3.16Å; Q122-S125 PolarHBondContact O-OG 3.25Å; P123-S125 VanDerWaalsContact C-N 3.27Å; P123-S125 PolarHBondContact O-N 3.39Å; S125-L127 PolarHBondContact O-N 2.91Å; S125-L127 WeakPolarHBondContact OG-CB 3.43Å; S125-L127 PolarHBondContact OG-N 3.11Å; S125-L127 VanDerWaalsContact OG-N 3.07Å
126V94.2Very high93.4Very high51 Ų5149.4 Ų49.431%0.30927%0.271SS..SBendtrans-74.9-6.5172.2-580000113.6D128 K158 I159 A162 Y163V126-D128 PolarHBondContact O-N 3.41Å; V126-K158 HydrophobicContact CB-CB 4.4Å; V126-K158 HydrophobicContact CG1-CB 4.23Å; V126-I159 HydrophobicContact CB-CG1 4.5Å; V126-I159 HydrophobicContact CG2-CG1 4.38Å; V126-I159 VanDerWaalsContact O-CG1 3.32Å; V126-I159 WeakPolarHBondContact O-CG1 3.47Å; V126-A162 HydrophobicContact CG2-CB 3.55Å; V126-Y163 HydrophobicContact CG2-CD2 4Å; V126-Y163 HydrophobicContact CG2-CE2 3.59Å
127L94.2Very high92.7Very high10 Ų1055.5 Ų55.55%0.05229%0.293CS..  trans-76.464.1174.8-56.9177.6000110.7Q122 S125 Y163 L168 P418 L420Q122-L127 HydrophobicContact CB-CD1 4.39Å; Q122-L127 HydrophobicContact CG-CD1 4.49Å; S125-L127 PolarHBondContact O-N 2.91Å; S125-L127 WeakPolarHBondContact OG-CB 3.43Å; S125-L127 PolarHBondContact OG-N 3.11Å; S125-L127 VanDerWaalsContact OG-N 3.07Å; L127-Y163 HydrophobicContact CD1-CE1 4.41Å; L127-Y163 HydrophobicContact CD1-CE2 4.17Å; L127-Y163 HydrophobicContact CD2-CD2 3.91Å; L127-Y163 HydrophobicContact CD2-CE2 3.72Å; L127-Y163 HydrophobicContact CG-CD2 4.41Å; L127-Y163 HydrophobicContact CG-CE2 3.71Å; L127-L168 HydrophobicContact CD2-CD2 3.73Å; L127-P418 HydrophobicContact CD2-CB 4.12Å; L127-L420 HydrophobicContact CD1-CD1 4.21Å; L127-L420 HydrophobicContact CD1-CD2 3.93Å; L127-L420 HydrophobicContact CD1-CG 3.71Å
128D94Very high92.3Very high38 Ų3864 Ų6420%0.20333%0.333CS..  trans-113-169.4178.6-158.9-20.2000109.2V126 R131 Y155 A207 P418V126-D128 PolarHBondContact O-N 3.41Å; D128-R131 IonicContact OD2-NH2 2.97Å; D128-Y155 VanDerWaalsContact O-CE2 3.29Å; D128-Y155 WeakPolarHBondContact O-CE2 3.38Å; D128-Y155 PolarHBondContact O-OH 3.03Å; D128-A207 WeakPolarHBondContact OD1-CB 3.23Å; D128-P418 WeakPolarHBondContact O-CD 3.36Å; D128-P418 WeakPolarHBondContact O-CG 3.3Å
129F95.4Very high92Very high4 Ų459.8 Ų59.82%0.01832%0.32CS..  trans-115.4155.6169.971.8-80.4000110.8R131 W178 L181 A207 L208 Y211 F417F129-R131 HydrophobicContact CE2-CG 4.47Å; F129-R131 PolarHBondContact O-N 3.21Å; F129-R131 VanDerWaalsContact O-N 3.17Å; F129-W178 HydrophobicContact CB-CE3 4.39Å; F129-W178 HydrophobicContact CB-CH2 3.77Å; F129-W178 HydrophobicContact CB-CZ3 3.59Å; F129-W178 HydrophobicContact CD2-CZ3 4.39Å; F129-W178 HydrophobicContact CG-CZ3 4.39Å; F129-L181 HydrophobicContact CD2-CD2 3.78Å; F129-L181 HydrophobicContact CE2-CD2 4.02Å; F129-A207 HydrophobicContact CD1-CB 4.22Å; F129-A207 HydrophobicContact CE1-CB 4.42Å; F129-L208 HydrophobicContact CE1-CB 4.32Å; F129-L208 HydrophobicContact CE1-CD1 4.25Å; F129-L208 HydrophobicContact CE2-CD1 4.42Å; F129-L208 HydrophobicContact CZ-CD1 4.03Å; F129-Y211 HydrophobicContact CE1-CG 4.37Å; F129-Y211 HydrophobicContact CE2-CD1 4.21Å; F129-Y211 HydrophobicContact CE2-CE1 4.47Å; F129-Y211 AromaticContact CZ-CD1 3.52Å; F129-Y211 HydrophobicContact CZ-CD1 3.52Å; F129-Y211 HydrophobicContact CZ-CD2 4.48Å; F129-Y211 HydrophobicContact CZ-CE1 4.17Å; F129-Y211 AromaticContact CZ-CG 3.67Å; F129-Y211 HydrophobicContact CZ-CG 3.67Å; F129-F417 HydrophobicContact CB-CD1 3.69Å; F129-F417 HydrophobicContact CB-CE1 3.51Å; F129-F417 HydrophobicContact CD1-CE1 4Å; F129-F417 HydrophobicContact CG-CD1 4.38Å; F129-F417 AromaticContact CG-CE1 3.8Å; F129-F417 HydrophobicContact CG-CE1 3.8Å
130P95.6Very high91.8Very high4 Ų456.2 Ų56.23%0.02631%0.309CS..PPolyproline II helixtrans-69.7117.7-18030.3-35.1000109.6F152 Y155 W178 W182P130-F152 HydrophobicContact CB-CD2 3.78Å; P130-F152 HydrophobicContact CB-CE2 4.29Å; P130-F152 HydrophobicContact CG-CD2 3.88Å; P130-F152 HydrophobicContact CG-CE2 3.92Å; P130-Y155 HydrophobicContact CB-CD1 3.94Å; P130-Y155 HydrophobicContact CB-CD2 4.43Å; P130-Y155 HydrophobicContact CB-CE1 4.26Å; P130-Y155 HydrophobicContact CB-CG 4.02Å; P130-Y155 HydrophobicContact CG-CD1 4.3Å; P130-Y155 HydrophobicContact CG-CE1 4.16Å; P130-W178 HydrophobicContact CG-CB 3.85Å; P130-W178 HydrophobicContact CG-CD2 3.36Å; P130-W178 HydrophobicContact CG-CE3 3.82Å; P130-W178 HydrophobicContact CG-CG 3.37Å; P130-W178 HydrophobicContact CG-CZ2 4.45Å; P130-W182 HydrophobicContact CB-CZ2 4.34Å; P130-W182 PolarHBondContact O-NE1 3.42Å
131R94Very high91.4Very high91 Ų9162.8 Ų62.834%0.34334%0.337SS..PPolyproline II helixtrans-78.2146.5172.8-58.9-179.7-170.7-168.2-3.9109.8D128 F129 Y211 E215D128-R131 IonicContact OD2-NH2 2.97Å; F129-R131 HydrophobicContact CE2-CG 4.47Å; F129-R131 PolarHBondContact O-N 3.21Å; F129-R131 VanDerWaalsContact O-N 3.17Å; R131-Y211 HydrophobicContact CG-CE2 4.46Å; R131-E215 IonicContact CZ-OE1 2.89Å; R131-E215 VanDerWaalsContact CZ-OE1 3.27Å; R131-E215 IonicContact CZ-OE2 2.74Å; R131-E215 IonicContact NH1-OE1 3.27Å; R131-E215 PolarHBondContact NH1-OE1 3.21Å; R131-E215 IonicContact NH1-OE2 3.49Å; R131-E215 PolarHBondContact NH1-OE2 3.04Å; R131-E215 IonicContact NH2-OE1 2.74Å; R131-E215 PolarHBondContact NH2-OE1 3.28Å
132R93.6Very high91.1Very high48 Ų4868.3 Ų68.318%0.18136%0.363CS..PPolyproline II helixtrans-66.5125174.8-164.3173.3-167.2-174.60.5109.2E148 W182 E186R132-E148 IonicContact CZ-OE1 3.42Å; R132-E148 IonicContact NE-OE1 2.83Å; R132-E148 PolarHBondContact NE-OE1 3.3Å; R132-E148 IonicContact NH2-OE1 2.97Å; R132-E148 PolarHBondContact NH2-OE1 2.82Å; R132-W182 HydrophobicContact CB-CB 4.29Å; R132-W182 HydrophobicContact CB-CD2 3.56Å; R132-W182 HydrophobicContact CB-CE3 3.9Å; R132-W182 HydrophobicContact CB-CG 3.75Å; R132-W182 HydrophobicContact CB-CZ2 4.35Å; R132-W182 HydrophobicContact CB-CZ3 4.43Å; R132-W182 HydrophobicContact CG-CD2 3.77Å; R132-W182 HydrophobicContact CG-CE3 3.55Å; R132-W182 HydrophobicContact CG-CG 4.24Å; R132-W182 HydrophobicContact CG-CH2 4.48Å; R132-W182 HydrophobicContact CG-CZ3 3.94Å; R132-E186 WeakPolarHBondContact CD-OE1 3.31Å; R132-E186 IonicContact CZ-OE1 2.82Å; R132-E186 IonicContact NE-OE1 3.52Å; R132-E186 IonicContact NH1-OE1 2.76Å; R132-E186 PolarHBondContact NH1-OE1 2.76Å; R132-E186 IonicContact NH1-OE2 2.79Å; R132-E186 PolarHBondContact NH1-OE2 2.83Å
133P92.6Very high91Very high13 Ų1370.1 Ų70.18%0.08437%0.372CS..PPolyproline II helixtrans-64.7151.9173.927.6-34.2000110.6W135 Q147 E148P133-W135 PolarHBondContact O-N 3.38Å; P133-Q147 HydrophobicContact CB-CG 4.13Å; P133-Q147 HydrophobicContact CG-CG 4.1Å; P133-E148 HydrophobicContact CG-CB 4.43Å; P133-E148 HydrophobicContact CG-CG 3.84Å
134P88.7Confident91Very high111 Ų11167.6 Ų67.672%0.72136%0.355SS*.PPolyproline II helixtrans-57.9135.5176.4-23.533.3000111.7Q147P134-Q147 PolarHBondContact O-NE2 3Å; P134-Q147 PolarHBondContact O-OE1 2.87Å
135W87.2Confident91Very high36 Ų3667 Ų6714%0.13633%0.33CS..  trans-138.1160.8-179.872.3-85.1000111.6P133 Y137 M139 L144 P348P133-W135 PolarHBondContact O-N 3.38Å; W135-Y137 HydrophobicContact CH2-CE1 4.41Å; W135-Y137 HydrophobicContact CZ3-CD1 4.3Å; W135-M139 HydrophobicContact CB-SD 4.05Å; W135-L144 HydrophobicContact CB-CD1 3.35Å; W135-L144 HydrophobicContact CB-CD2 4.42Å; W135-L144 HydrophobicContact CB-CG 4.48Å; W135-L144 HydrophobicContact CD2-CD2 4.23Å; W135-L144 HydrophobicContact CE3-CD2 4.14Å; W135-L144 HydrophobicContact CG-CD1 3.91Å; W135-L144 HydrophobicContact CG-CD2 4.34Å; W135-P348 HydrophobicContact CE3-CB 4.2Å; W135-P348 HydrophobicContact CE3-CG 4.13Å; W135-P348 HydrophobicContact CH2-CB 3.23Å; W135-P348 HydrophobicContact CH2-CG 3.54Å; W135-P348 VanDerWaalsContact CH2-O 3.27Å; W135-P348 WeakPolarHBondContact CH2-O 3.39Å; W135-P348 HydrophobicContact CZ2-CB 3.58Å; W135-P348 HydrophobicContact CZ2-CG 4.35Å; W135-P348 HydrophobicContact CZ3-CB 3.53Å; W135-P348 HydrophobicContact CZ3-CG 3.35Å
136S84.1Confident91Very high44 Ų4469.1 Ų69.131%0.30835%0.345SS..  trans-139.6161.2176.873.10000111.6E138 M139S136-E138 PolarHBondContact O-N 2.96Å; S136-E138 VanDerWaalsContact O-N 3.16Å; S136-E138 PolarHBondContact OG-N 3.46Å; S136-M139 WeakPolarHBondContact O-CB 3.24Å; S136-M139 PolarHBondContact O-N 3.37Å; S136-M139 VanDerWaalsContact O-N 3.09Å
137Y82.4Confident90.9Very high158 Ų15869.9 Ų69.962%0.6235%0.345SS*.THydrogen-bonded Turntrans-63.5-15.1175.4-73.3-71.9000114.3W135 M139 P348 G350W135-Y137 HydrophobicContact CH2-CE1 4.41Å; W135-Y137 HydrophobicContact CZ3-CD1 4.3Å; Y137-M139 VanDerWaalsContact C-N 3.26Å; Y137-P348 WeakPolarHBondContact CE1-O 3.44Å; Y137-P348 PolarHBondContact OH-O 3.38Å; Y137-G350 VanDerWaalsContact CZ-N 3.33Å; Y137-G350 PolarHBondContact OH-N 3.02Å
138E88.7Confident91Very high184 Ų18469.6 Ų69.686%0.8634%0.343SS*.THydrogen-bonded Turntrans-76.5-18176.2-58.9178.4175.200112S136S136-E138 PolarHBondContact O-N 2.96Å; S136-E138 VanDerWaalsContact O-N 3.16Å; S136-E138 PolarHBondContact OG-N 3.46Å
139M89.6Confident91Very high67 Ų6771.4 Ų71.433%0.3335%0.351SS..SBendtrans-78.9135.7177.8-58.4179.9-17600110.2W135 S136 Y137W135-M139 HydrophobicContact CB-SD 4.05Å; S136-M139 WeakPolarHBondContact O-CB 3.24Å; S136-M139 PolarHBondContact O-N 3.37Å; S136-M139 VanDerWaalsContact O-N 3.09Å; Y137-M139 VanDerWaalsContact C-N 3.26Å
140S90.8Very high91Very high46 Ų4680 Ų8032%0.32238%0.383SS..  trans-64.1154.6166.160.60000110.8E142 Q143 L144S140-E142 PolarHBondContact O-N 3.1Å; S140-Q143 PolarHBondContact O-N 3.4Å; S140-Q143 WeakPolarHBondContact OG-CB 3.32Å; S140-Q143 WeakPolarHBondContact OG-CG 3.46Å; S140-Q143 PolarHBondContact OG-N 3.26Å; S140-Q143 PolarHBondContact OG-OE1 3.04Å; S140-L144 PolarHBondContact O-N 3.25Å
141K88.4Confident91Very high138 Ų13881.8 Ų81.860%0.640%0.395SS*.Hα-helixtrans-54.8-41175-173.1-178.7177.2173.80111.2L144 M145K141-L144 PolarHBondContact O-N 3.46Å; K141-M145 HydrophobicContact CG-CE 4.01Å; K141-M145 HydrophobicContact CG-CG 4.49Å; K141-M145 HydrophobicContact CG-SD 4.22Å; K141-M145 WeakPolarHBondContact O-CB 3.38Å; K141-M145 VanDerWaalsContact O-CG 3.23Å; K141-M145 WeakPolarHBondContact O-CG 3.44Å; K141-M145 PolarHBondContact O-N 2.86Å
142E90.4Very high91.1Very high123 Ų12377.6 Ų77.658%0.57538%0.38SS*.Hα-helixtrans-65.8-42.6179.5-65.568-147.600112.2S140 M145 S146S140-E142 PolarHBondContact O-N 3.1Å; E142-M145 HydrophobicContact CB-CE 4.45Å; E142-M145 HydrophobicContact CG-CE 4.19Å; E142-M145 PolarHBondContact O-N 2.94Å; E142-S146 WeakPolarHBondContact O-CB 3.26Å; E142-S146 PolarHBondContact O-N 3.15Å
143Q91.8Very high91.2Very high117 Ų11779.6 Ų79.655%0.54739%0.391SS..Hα-helixtrans-62.3-45.6175-76.9165.1-33.600111.4S140 S146 Q147S140-Q143 PolarHBondContact O-N 3.4Å; S140-Q143 WeakPolarHBondContact OG-CB 3.32Å; S140-Q143 WeakPolarHBondContact OG-CG 3.46Å; S140-Q143 PolarHBondContact OG-N 3.26Å; S140-Q143 PolarHBondContact OG-OE1 3.04Å; Q143-S146 PolarHBondContact O-N 2.65Å; Q143-Q147 WeakPolarHBondContact O-CB 3.07Å; Q143-Q147 PolarHBondContact O-N 3.2Å
144L91.2Very high91.3Very high16 Ų1683.2 Ų83.28%0.08441%0.41CS..Hα-helixtrans-60-49.8177177.254.1000111.3W135 S140 K141 S146 Q147 E148W135-L144 HydrophobicContact CB-CD1 3.35Å; W135-L144 HydrophobicContact CB-CD2 4.42Å; W135-L144 HydrophobicContact CB-CG 4.48Å; W135-L144 HydrophobicContact CD2-CD2 4.23Å; W135-L144 HydrophobicContact CE3-CD2 4.14Å; W135-L144 HydrophobicContact CG-CD1 3.91Å; W135-L144 HydrophobicContact CG-CD2 4.34Å; S140-L144 PolarHBondContact O-N 3.25Å; K141-L144 PolarHBondContact O-N 3.46Å; L144-S146 VanDerWaalsContact C-N 3.3Å; L144-S146 PolarHBondContact O-N 3.18Å; L144-Q147 PolarHBondContact O-N 2.82Å; L144-Q147 VanDerWaalsContact O-N 3.16Å; L144-E148 HydrophobicContact CD1-CG 4.07Å; L144-E148 WeakPolarHBondContact O-CG 3.38Å; L144-E148 PolarHBondContact O-N 2.76Å
145M90.6Very high91.6Very high71 Ų7179 Ų7935%0.3538%0.379SS..Hα-helixtrans-58.5-42178-72.9-176.1-5600111.9K141 E142 E149 R179K141-M145 HydrophobicContact CG-CE 4.01Å; K141-M145 HydrophobicContact CG-CG 4.49Å; K141-M145 HydrophobicContact CG-SD 4.22Å; K141-M145 WeakPolarHBondContact O-CB 3.38Å; K141-M145 VanDerWaalsContact O-CG 3.23Å; K141-M145 WeakPolarHBondContact O-CG 3.44Å; K141-M145 PolarHBondContact O-N 2.86Å; E142-M145 HydrophobicContact CB-CE 4.45Å; E142-M145 HydrophobicContact CG-CE 4.19Å; E142-M145 PolarHBondContact O-N 2.94Å; M145-E149 WeakPolarHBondContact O-CB 3.36Å; M145-E149 PolarHBondContact O-N 2.91Å; M145-R179 PolarHBondContact O-NH2 3.08Å
146S92.8Very high92Very high81 Ų8177.9 Ų77.957%0.56638%0.376SS*.Hα-helixtrans-67.6-35.7177.7-177.20000112.9E142 Q143 L144 R150E142-S146 WeakPolarHBondContact O-CB 3.26Å; E142-S146 PolarHBondContact O-N 3.15Å; Q143-S146 PolarHBondContact O-N 2.65Å; L144-S146 VanDerWaalsContact C-N 3.3Å; L144-S146 PolarHBondContact O-N 3.18Å; S146-R150 WeakPolarHBondContact O-CB 3.35Å; S146-R150 PolarHBondContact O-N 3.43Å
147Q93.8Very high92.5Very high68 Ų6878 Ų7832%0.31839%0.385SS..Hα-helixtrans-70-44.3177.4-175.8-175.32.400111.3P133 P134 Q143 L144 R150 S151P133-Q147 HydrophobicContact CB-CG 4.13Å; P133-Q147 HydrophobicContact CG-CG 4.1Å; P134-Q147 PolarHBondContact O-NE2 3Å; P134-Q147 PolarHBondContact O-OE1 2.87Å; Q143-Q147 WeakPolarHBondContact O-CB 3.07Å; Q143-Q147 PolarHBondContact O-N 3.2Å; L144-Q147 PolarHBondContact O-N 2.82Å; L144-Q147 VanDerWaalsContact O-N 3.16Å; Q147-R150 PolarHBondContact O-N 3.14Å; Q147-S151 WeakPolarHBondContact O-CB 3.26Å; Q147-S151 PolarHBondContact O-N 2.66Å
148E94.7Very high93.1Very high4 Ų476.9 Ų76.92%0.01938%0.383CS..Hα-helixtrans-59.6-45.4174.1-71.1173.4166.500111.1R132 P133 L144 S151 F152 L175 R179 W182R132-E148 IonicContact CZ-OE1 3.42Å; R132-E148 IonicContact NE-OE1 2.83Å; R132-E148 PolarHBondContact NE-OE1 3.3Å; R132-E148 IonicContact NH2-OE1 2.97Å; R132-E148 PolarHBondContact NH2-OE1 2.82Å; P133-E148 HydrophobicContact CG-CB 4.43Å; P133-E148 HydrophobicContact CG-CG 3.84Å; L144-E148 HydrophobicContact CD1-CG 4.07Å; L144-E148 WeakPolarHBondContact O-CG 3.38Å; L144-E148 PolarHBondContact O-N 2.76Å; E148-S151 PolarHBondContact O-N 3.4Å; E148-F152 WeakPolarHBondContact O-CB 3.38Å; E148-F152 PolarHBondContact O-N 2.91Å; E148-L175 HydrophobicContact CB-CD2 4.35Å; E148-R179 IonicContact OE2-CZ 3.24Å; E148-R179 IonicContact OE2-NE 3.22Å; E148-R179 PolarHBondContact OE2-NE 3.36Å; E148-R179 IonicContact OE2-NH2 2.79Å; E148-R179 PolarHBondContact OE2-NH2 3.48Å; E148-W182 HydrophobicContact CB-CH2 4.28Å; E148-W182 HydrophobicContact CB-CZ3 4.15Å; E148-W182 HydrophobicContact CG-CH2 4.25Å; E148-W182 HydrophobicContact CG-CZ3 3.79Å
149E94.2Very high93.4Very high76 Ų7668.1 Ų68.136%0.35534%0.342SS..Hα-helixtrans-59.9-48.1176.4-174.761.5-143.900111.7M145 S151 F152 Q153 L175M145-E149 WeakPolarHBondContact O-CB 3.36Å; M145-E149 PolarHBondContact O-N 2.91Å; E149-S151 PolarHBondContact O-N 3.41Å; E149-F152 PolarHBondContact O-N 3.19Å; E149-Q153 WeakPolarHBondContact O-CG 3.13Å; E149-Q153 PolarHBondContact O-N 3.02Å; E149-Q153 PolarHBondContact OE1-NE2 2.78Å; E149-L175 HydrophobicContact CB-CD2 4.23Å; E149-L175 VanDerWaalsContact OE2-CD2 3.22Å; E149-L175 WeakPolarHBondContact OE2-CD2 3.3Å
150R95.3Very high93.6Very high183 Ų18368.5 Ų68.569%0.69134%0.343SS*.Hα-helixtrans-59.4-47.5177.9-177.9-179.8177.3175.41.5111.9S146 Q147 F152 Q153 D154S146-R150 WeakPolarHBondContact O-CB 3.35Å; S146-R150 PolarHBondContact O-N 3.43Å; Q147-R150 PolarHBondContact O-N 3.14Å; R150-F152 VanDerWaalsContact C-N 3.25Å; R150-F152 PolarHBondContact O-N 3.36Å; R150-Q153 PolarHBondContact O-N 2.85Å; R150-D154 PolarHBondContact O-N 3.42Å
151S95.9Very high93.8Very high42 Ų4269.6 Ų69.629%0.29436%0.362SS..Hα-helixtrans-61-37.1178.5-173.50000111.8Q147 E148 E149 Y155Q147-S151 WeakPolarHBondContact O-CB 3.26Å; Q147-S151 PolarHBondContact O-N 2.66Å; E148-S151 PolarHBondContact O-N 3.4Å; E149-S151 PolarHBondContact O-N 3.41Å; S151-Y155 WeakPolarHBondContact O-CB 3.37Å; S151-Y155 PolarHBondContact O-N 3.11Å
152F96.3Very high94.1Very high4 Ų466 Ų662%0.01836%0.358CS..Hα-helixtrans-70.6-41.3178.1-175.6-115.2000112.8P130 E148 E149 R150 Y155 L156 H173 L175 W178P130-F152 HydrophobicContact CB-CD2 3.78Å; P130-F152 HydrophobicContact CB-CE2 4.29Å; P130-F152 HydrophobicContact CG-CD2 3.88Å; P130-F152 HydrophobicContact CG-CE2 3.92Å; E148-F152 WeakPolarHBondContact O-CB 3.38Å; E148-F152 PolarHBondContact O-N 2.91Å; E149-F152 PolarHBondContact O-N 3.19Å; R150-F152 VanDerWaalsContact C-N 3.25Å; R150-F152 PolarHBondContact O-N 3.36Å; F152-Y155 AromaticContact CD2-CD1 3.96Å; F152-Y155 HydrophobicContact CD2-CD1 3.96Å; F152-Y155 AromaticContact CE2-CD1 3.94Å; F152-Y155 HydrophobicContact CE2-CD1 3.94Å; F152-Y155 HydrophobicContact CE2-CE1 4.13Å; F152-Y155 WeakPolarHBondContact O-CB 3.41Å; F152-Y155 PolarHBondContact O-N 3.22Å; F152-L156 HydrophobicContact CD1-CD1 4.12Å; F152-L156 HydrophobicContact CE1-CD1 3.62Å; F152-L156 HydrophobicContact CE1-CG 4.21Å; F152-L156 HydrophobicContact CE2-CD2 4.43Å; F152-L156 HydrophobicContact CE2-CG 4.4Å; F152-L156 HydrophobicContact CZ-CD1 3.92Å; F152-L156 HydrophobicContact CZ-CD2 4.18Å; F152-L156 HydrophobicContact CZ-CG 4.12Å; F152-L156 WeakPolarHBondContact O-CG 3.3Å; F152-L156 PolarHBondContact O-N 3.37Å; F152-H173 WeakPolarHBondContact CE1-O 3.36Å; F152-L175 HydrophobicContact CB-CD1 3.78Å; F152-L175 HydrophobicContact CB-CD2 4.11Å; F152-L175 HydrophobicContact CB-CG 4.41Å; F152-L175 HydrophobicContact CD1-CB 3.73Å; F152-L175 HydrophobicContact CD1-CD1 4.27Å; F152-L175 HydrophobicContact CD1-CD2 4.45Å; F152-L175 HydrophobicContact CD1-CG 4.37Å; F152-L175 HydrophobicContact CD2-CD1 3.97Å; F152-L175 HydrophobicContact CE1-CB 3.94Å; F152-L175 HydrophobicContact CG-CB 4.11Å; F152-L175 HydrophobicContact CG-CD1 3.74Å; F152-L175 HydrophobicContact CG-CD2 4.43Å; F152-L175 HydrophobicContact CG-CG 4.31Å; F152-W178 AromaticContact CE2-CD1 3.38Å; F152-W178 HydrophobicContact CE2-CG 4.29Å; F152-W178 AromaticContact CE2-NE1 3.65Å; F152-W178 AromaticContact CZ-CD1 3.8Å
153Q94.9Very high94.3Very high90 Ų9062 Ų6242%0.42134%0.338SS..Hα-helixtrans-63.1-41.7174.2-67.5-62.2-21.700111.7E149 R150 Y155 L156 G157E149-Q153 WeakPolarHBondContact O-CG 3.13Å; E149-Q153 PolarHBondContact O-N 3.02Å; E149-Q153 PolarHBondContact OE1-NE2 2.78Å; R150-Q153 PolarHBondContact O-N 2.85Å; Q153-Y155 VanDerWaalsContact C-N 3.29Å; Q153-Y155 PolarHBondContact O-N 3.37Å; Q153-L156 PolarHBondContact O-N 2.79Å; Q153-G157 PolarHBondContact O-N 2.84Å
154D95.6Very high94.3Very high89 Ų8959.3 Ų59.348%0.47633%0.332SS..Hα-helixtrans-62-38.2174.7-72.3-18.3000111.5R150 K158R150-D154 PolarHBondContact O-N 3.42Å; D154-K158 VanDerWaalsContact O-CG 3.3Å; D154-K158 WeakPolarHBondContact O-CG 3.28Å; D154-K158 PolarHBondContact O-N 2.86Å; D154-K158 VanDerWaalsContact O-N 3.13Å
155Y95.7Very high94.2Very high21 Ų2160.1 Ų60.18%0.08234%0.339CS..Hα-helixtrans-62-50.9174159.9-99.6000112.2D128 P130 S151 F152 Q153 G157 K158 I159 P418D128-Y155 VanDerWaalsContact O-CE2 3.29Å; D128-Y155 WeakPolarHBondContact O-CE2 3.38Å; D128-Y155 PolarHBondContact O-OH 3.03Å; P130-Y155 HydrophobicContact CB-CD1 3.94Å; P130-Y155 HydrophobicContact CB-CD2 4.43Å; P130-Y155 HydrophobicContact CB-CE1 4.26Å; P130-Y155 HydrophobicContact CB-CG 4.02Å; P130-Y155 HydrophobicContact CG-CD1 4.3Å; P130-Y155 HydrophobicContact CG-CE1 4.16Å; S151-Y155 WeakPolarHBondContact O-CB 3.37Å; S151-Y155 PolarHBondContact O-N 3.11Å; F152-Y155 AromaticContact CD2-CD1 3.96Å; F152-Y155 HydrophobicContact CD2-CD1 3.96Å; F152-Y155 AromaticContact CE2-CD1 3.94Å; F152-Y155 HydrophobicContact CE2-CD1 3.94Å; F152-Y155 HydrophobicContact CE2-CE1 4.13Å; F152-Y155 WeakPolarHBondContact O-CB 3.41Å; F152-Y155 PolarHBondContact O-N 3.22Å; Q153-Y155 VanDerWaalsContact C-N 3.29Å; Q153-Y155 PolarHBondContact O-N 3.37Å; Y155-G157 VanDerWaalsContact C-N 3.32Å; Y155-G157 PolarHBondContact O-N 3.34Å; Y155-K158 PolarHBondContact O-N 2.83Å; Y155-I159 HydrophobicContact CD1-CD1 4.49Å; Y155-I159 HydrophobicContact CD2-CD1 4.18Å; Y155-I159 HydrophobicContact CE1-CD1 3.86Å; Y155-I159 HydrophobicContact CE2-CD1 3.51Å; Y155-I159 HydrophobicContact CE2-CG1 4.47Å; Y155-I159 PolarHBondContact O-N 3.35Å; Y155-I159 WeakPolarHBondContact OH-CD1 3.15Å; Y155-P418 VanDerWaalsContact OH-CD 3.3Å; Y155-P418 WeakPolarHBondContact OH-CD 3.47Å; Y155-P418 VanDerWaalsContact OH-CG 3.27Å; Y155-P418 WeakPolarHBondContact OH-CG 3.31Å
156L94.9Very high94.1Very high13 Ų1363.4 Ų63.47%0.06835%0.353CS..Hα-helixtrans-61.4-41.7177.5-68179.9000111.6F152 Q153 K158 I159 H160 F171F152-L156 HydrophobicContact CD1-CD1 4.12Å; F152-L156 HydrophobicContact CE1-CD1 3.62Å; F152-L156 HydrophobicContact CE1-CG 4.21Å; F152-L156 HydrophobicContact CE2-CD2 4.43Å; F152-L156 HydrophobicContact CE2-CG 4.4Å; F152-L156 HydrophobicContact CZ-CD1 3.92Å; F152-L156 HydrophobicContact CZ-CD2 4.18Å; F152-L156 HydrophobicContact CZ-CG 4.12Å; F152-L156 WeakPolarHBondContact O-CG 3.3Å; F152-L156 PolarHBondContact O-N 3.37Å; Q153-L156 PolarHBondContact O-N 2.79Å; L156-K158 VanDerWaalsContact C-N 3.3Å; L156-K158 PolarHBondContact O-N 2.86Å; L156-I159 PolarHBondContact O-N 2.95Å; L156-H160 PolarHBondContact O-CD2 3.21Å; L156-H160 VanDerWaalsContact O-CD2 3.3Å; L156-H160 PolarHBondContact O-N 2.68Å; L156-F171 HydrophobicContact CD2-CE2 3.68Å; L156-F171 HydrophobicContact CD2-CZ 4.25Å
157G94.1Very high94.1Very high48 Ų4866.4 Ų66.450%0.49536%0.356SS..Hα-helixtrans-60.3-36.8177.900000113.2Q153 Y155 G161Q153-G157 PolarHBondContact O-N 2.84Å; Y155-G157 VanDerWaalsContact C-N 3.32Å; Y155-G157 PolarHBondContact O-N 3.34Å; G157-G161 PolarHBondContact O-N 2.94Å
158K95.9Very high94.1Very high134 Ų13463.2 Ų63.258%0.58334%0.341SS*.Hα-helixtrans-65.8-43.3175.5-73167.6-173.3174.30112.4V126 D154 Y155 L156 G161 A162V126-K158 HydrophobicContact CB-CB 4.4Å; V126-K158 HydrophobicContact CG1-CB 4.23Å; D154-K158 VanDerWaalsContact O-CG 3.3Å; D154-K158 WeakPolarHBondContact O-CG 3.28Å; D154-K158 PolarHBondContact O-N 2.86Å; D154-K158 VanDerWaalsContact O-N 3.13Å; Y155-K158 PolarHBondContact O-N 2.83Å; L156-K158 VanDerWaalsContact C-N 3.3Å; L156-K158 PolarHBondContact O-N 2.86Å; K158-G161 PolarHBondContact O-N 3.31Å; K158-A162 WeakPolarHBondContact O-CB 3.45Å; K158-A162 PolarHBondContact O-N 3.35Å; K158-A162 VanDerWaalsContact O-N 3.16Å
159I95.2Very high94.1Very high0 Ų063.1 Ų63.10%034%0.341CS..Hα-helixtrans-65.2-53.1-180-68.6167.8000110.3V126 Y155 L156 G161 A162 Y163 L168 F171 P418V126-I159 HydrophobicContact CB-CG1 4.5Å; V126-I159 HydrophobicContact CG2-CG1 4.38Å; V126-I159 VanDerWaalsContact O-CG1 3.32Å; V126-I159 WeakPolarHBondContact O-CG1 3.47Å; Y155-I159 HydrophobicContact CD1-CD1 4.49Å; Y155-I159 HydrophobicContact CD2-CD1 4.18Å; Y155-I159 HydrophobicContact CE1-CD1 3.86Å; Y155-I159 HydrophobicContact CE2-CD1 3.51Å; Y155-I159 HydrophobicContact CE2-CG1 4.47Å; Y155-I159 PolarHBondContact O-N 3.35Å; Y155-I159 WeakPolarHBondContact OH-CD1 3.15Å; L156-I159 PolarHBondContact O-N 2.95Å; I159-G161 PolarHBondContact O-N 2.78Å; I159-A162 PolarHBondContact O-N 2.88Å; I159-Y163 PolarHBondContact O-N 3.14Å; I159-L168 HydrophobicContact CG2-CD1 3.74Å; I159-L168 HydrophobicContact CG2-CD2 4.05Å; I159-F171 HydrophobicContact CD1-CE2 4.24Å; I159-F171 HydrophobicContact CD1-CZ 4.39Å; I159-F171 HydrophobicContact CG2-CE1 4.29Å; I159-F171 HydrophobicContact CG2-CZ 4.01Å; I159-P418 HydrophobicContact CD1-CB 4.01Å; I159-P418 HydrophobicContact CD1-CG 3.81Å
160H93.3Very high94.1Very high74 Ų7460.2 Ų60.234%0.34333%0.327SS..Hα-helixtrans-68.6-23-179.4-72.9-61.7000113E86 L156 F171 H173E86-H160 IonicContact OE2-CE1 3.42Å; L156-H160 PolarHBondContact O-CD2 3.21Å; L156-H160 VanDerWaalsContact O-CD2 3.3Å; L156-H160 PolarHBondContact O-N 2.68Å; H160-F171 AromaticContact NE2-CZ 3.94Å; H160-H173 AromaticContact CE1-NE2 3.86Å; H160-H173 AromaticContact NE2-NE2 3.11Å; H160-H173 PolarHBondContact NE2-NE2 3.12Å; H160-H173 VanDerWaalsContact NE2-NE2 3.11Å
161G94.2Very high94.1Very high70 Ų7051.6 Ų51.672%0.72229%0.294SS*.Hα-helixtrans-74.2-27.2170.700000113.8G157 K158 I159G157-G161 PolarHBondContact O-N 2.94Å; K158-G161 PolarHBondContact O-N 3.31Å; I159-G161 PolarHBondContact O-N 2.78Å
162A95.6Very high94.1Very high61 Ų6149.6 Ų49.650%0.50428%0.28SS..Hα-helixtrans-97.7-31.8-176.900000113.8V126 K158 I159V126-A162 HydrophobicContact CG2-CB 3.55Å; K158-A162 WeakPolarHBondContact O-CB 3.45Å; K158-A162 PolarHBondContact O-N 3.35Å; K158-A162 VanDerWaalsContact O-N 3.16Å; I159-A162 PolarHBondContact O-N 2.88Å
163Y94.1Very high94Very high41 Ų4150.1 Ų50.116%0.16128%0.283CS..SBendtrans-126.4142.3-176.9-61.3-90.6000111.3Q122 V126 L127 I159 L168 L420Q122-Y163 PolarHBondContact OE1-OH 3.06Å; V126-Y163 HydrophobicContact CG2-CD2 4Å; V126-Y163 HydrophobicContact CG2-CE2 3.59Å; L127-Y163 HydrophobicContact CD1-CE1 4.41Å; L127-Y163 HydrophobicContact CD1-CE2 4.17Å; L127-Y163 HydrophobicContact CD2-CD2 3.91Å; L127-Y163 HydrophobicContact CD2-CE2 3.72Å; L127-Y163 HydrophobicContact CG-CD2 4.41Å; L127-Y163 HydrophobicContact CG-CE2 3.71Å; I159-Y163 PolarHBondContact O-N 3.14Å; Y163-L168 HydrophobicContact CD2-CD2 4.33Å; Y163-L168 HydrophobicContact CG-CD2 4.06Å; Y163-L420 HydrophobicContact CD1-CD2 3.88Å; Y163-L420 HydrophobicContact CE1-CD1 4.38Å; Y163-L420 HydrophobicContact CE1-CD2 3.86Å
164S91.7Very high93.8Very high60 Ų6046.4 Ų46.442%0.4227%0.266SS..  trans-72.5146167.758.90000110.5E166 K167 L168S164-E166 PolarHBondContact O-N 3.17Å; S164-E166 VanDerWaalsContact O-N 3.13Å; S164-K167 PolarHBondContact O-N 3.11Å; S164-L168 PolarHBondContact O-N 3.47Å
165S88.6Confident93.7Very high33 Ų3342.4 Ų42.423%0.23125%0.245CC..G310 helixtrans-47.9-43.5177.2176.20000112.8E86 K167 L168 R423E86-S165 VanDerWaalsContact OE1-CB 3.29Å; E86-S165 WeakPolarHBondContact OE1-CB 3.19Å; E86-S165 PolarHBondContact OE1-OG 2.62Å; E86-S165 VanDerWaalsContact OE1-OG 3.1Å; E86-S165 WeakPolarHBondContact OE2-CB 3.49Å; E86-S165 PolarHBondContact OE2-OG 2.87Å; S165-K167 PolarHBondContact O-N 2.82Å; S165-L168 PolarHBondContact O-N 2.97Å; S165-R423 PolarHBondContact O-NH2 2.97Å; S165-R423 PolarHBondContact OG-NH2 2.83Å
166E88.6Confident93.4Very high139 Ų13942.8 Ų42.865%0.6525%0.247SC*.G310 helixtrans-58.9-31.2-177.2-63.8176.3-172.600114.1S164S164-E166 PolarHBondContact O-N 3.17Å; S164-E166 VanDerWaalsContact O-N 3.13Å
167K92.4Very high93.3Very high144 Ų14442.3 Ų42.363%0.62624%0.244SC*.G310 helixtrans-84-21.5178.6-69.1-178.1177.8-179.20112.5S164 S165S164-K167 PolarHBondContact O-N 3.11Å; S165-K167 PolarHBondContact O-N 2.82Å
168L95Very high93.3Very high2 Ų240 Ų401%0.0122%0.221CC..SBendtrans-82.3138.3-178.5-68168.1000110.7L127 I159 Y163 S164 S165 F171 R423L127-L168 HydrophobicContact CD2-CD2 3.73Å; I159-L168 HydrophobicContact CG2-CD1 3.74Å; I159-L168 HydrophobicContact CG2-CD2 4.05Å; Y163-L168 HydrophobicContact CD2-CD2 4.33Å; Y163-L168 HydrophobicContact CG-CD2 4.06Å; S164-L168 PolarHBondContact O-N 3.47Å; S165-L168 PolarHBondContact O-N 2.97Å; L168-F171 HydrophobicContact CD1-CE1 4.23Å; L168-R423 PolarHBondContact O-NE 3.22Å; L168-R423 VanDerWaalsContact O-NE 3.16Å; L168-R423 PolarHBondContact O-NH2 3.32Å
169S95.1Very high93.1Very high2 Ų235.5 Ų35.51%0.01420%0.2CC..PPolyproline II helixtrans-62.4160.1161.679.90000110.1F171 S419 L421 Q426S169-F171 WeakPolarHBondContact O-CD1 3.37Å; S169-F171 PolarHBondContact O-N 3.47Å; S169-S419 WeakPolarHBondContact CB-O 3.49Å; S169-S419 WeakPolarHBondContact CB-OG 3.45Å; S169-S419 PolarHBondContact N-O 3.28Å; S169-S419 PolarHBondContact OG-N 3.18Å; S169-S419 PolarHBondContact OG-O 3.21Å; S169-S419 PolarHBondContact OG-OG 3.11Å; S169-L421 WeakPolarHBondContact CB-O 3.38Å; S169-Q426 VanDerWaalsContact CB-CD 3.47Å
170Y94.7Very high93Very high15 Ų1535.7 Ų35.76%0.05920%0.201CC..PPolyproline II helixtrans-59.8138.9162.5-58.7-66.8000109.7F85 D88 I416 R423 Q426 Y432F85-Y170 HydrophobicContact CB-CD1 4.07Å; D88-Y170 VanDerWaalsContact CG-OH 3.22Å; D88-Y170 PolarHBondContact OD1-OH 3.27Å; D88-Y170 PolarHBondContact OD2-OH 3.19Å; Y170-I416 VanDerWaalsContact O-CG2 3.28Å; Y170-I416 WeakPolarHBondContact O-CG2 3.4Å; Y170-R423 HydrophobicContact CD2-CB 4.34Å; Y170-R423 HydrophobicContact CD2-CG 4.01Å; Y170-R423 HydrophobicContact CE2-CB 3.86Å; Y170-R423 HydrophobicContact CE2-CG 3.76Å; Y170-Q426 VanDerWaalsContact CD2-OE1 3.24Å; Y170-Q426 PolarHBondContact O-NE2 3.41Å; Y170-Y432 HydrophobicContact CD1-CD2 4.27Å; Y170-Y432 AromaticContact CD1-CE2 3.92Å; Y170-Y432 HydrophobicContact CD1-CE2 3.92Å; Y170-Y432 AromaticContact CD2-CD2 3.35Å; Y170-Y432 HydrophobicContact CD2-CD2 3.35Å; Y170-Y432 AromaticContact CD2-CE2 3.75Å; Y170-Y432 HydrophobicContact CD2-CE2 3.75Å; Y170-Y432 HydrophobicContact CD2-CG 4.23Å; Y170-Y432 HydrophobicContact CE1-CD2 4.47Å; Y170-Y432 AromaticContact CE1-CE2 3.87Å; Y170-Y432 HydrophobicContact CE1-CE2 3.87Å; Y170-Y432 AromaticContact CE2-CD2 3.59Å; Y170-Y432 HydrophobicContact CE2-CD2 3.59Å; Y170-Y432 AromaticContact CE2-CE2 3.69Å; Y170-Y432 HydrophobicContact CE2-CE2 3.69Å; Y170-Y432 HydrophobicContact CE2-CG 4.3Å; Y170-Y432 AromaticContact CG-CD2 3.7Å; Y170-Y432 HydrophobicContact CG-CD2 3.7Å; Y170-Y432 AromaticContact CG-CE2 3.84Å; Y170-Y432 HydrophobicContact CG-CE2 3.84Å; Y170-Y432 AromaticContact CZ-CE2 3.73Å
171F95.2Very high93Very high2 Ų232.1 Ų32.11%0.00919%0.185CC..  trans-151.4159.8175.870.1-86.8000110.5F85 L156 I159 H160 L168 S169 H173 I416 P418F85-F171 VanDerWaalsContact CD1-O 3.28Å; F85-F171 WeakPolarHBondContact CD1-O 3.4Å; L156-F171 HydrophobicContact CD2-CE2 3.68Å; L156-F171 HydrophobicContact CD2-CZ 4.25Å; I159-F171 HydrophobicContact CD1-CE2 4.24Å; I159-F171 HydrophobicContact CD1-CZ 4.39Å; I159-F171 HydrophobicContact CG2-CE1 4.29Å; I159-F171 HydrophobicContact CG2-CZ 4.01Å; H160-F171 AromaticContact NE2-CZ 3.94Å; L168-F171 HydrophobicContact CD1-CE1 4.23Å; S169-F171 WeakPolarHBondContact O-CD1 3.37Å; S169-F171 PolarHBondContact O-N 3.47Å; F171-H173 AromaticContact CD1-CE1 3.88Å; F171-H173 AromaticContact CD2-CE1 3.8Å; F171-H173 AromaticContact CD2-ND1 4Å; F171-H173 AromaticContact CE1-CE1 3.44Å; F171-H173 VanDerWaalsContact CE1-CE1 3.44Å; F171-H173 WeakPolarHBondContact CE1-CE1 3.35Å; F171-H173 AromaticContact CE1-NE2 3.97Å; F171-H173 AromaticContact CE2-CE1 3.37Å; F171-H173 WeakPolarHBondContact CE2-CE1 3.39Å; F171-H173 AromaticContact CE2-ND1 3.85Å; F171-H173 AromaticContact CE2-NE2 3.74Å; F171-H173 AromaticContact CZ-CE1 3.17Å; F171-H173 WeakPolarHBondContact CZ-CE1 3.17Å; F171-H173 AromaticContact CZ-NE2 3.39Å; F171-H173 WeakPolarHBondContact CZ-NE2 3.44Å; F171-H173 PolarHBondContact O-CE1 3.35Å; F171-H173 PolarHBondContact O-N 2.69Å; F171-H173 PolarHBondContact O-ND1 3.11Å; F171-I416 WeakPolarHBondContact CB-O 3.45Å; F171-P418 HydrophobicContact CB-CB 4.16Å; F171-P418 HydrophobicContact CD1-CB 4Å; F171-P418 HydrophobicContact CD2-CB 4.03Å; F171-P418 HydrophobicContact CE1-CB 4.39Å; F171-P418 HydrophobicContact CE2-CB 4.4Å; F171-P418 HydrophobicContact CG-CB 3.8Å
172E94.6Very high93Very high0 Ų029.2 Ų29.20%015%0.152CC..  trans-71.7118-170-178.861.2-8400112.9L83 H84 N174 T177 W178 I416L83-E172 WeakPolarHBondContact CD2-OE2 3.49Å; H84-E172 PolarHBondContact N-OE1 3.03Å; E172-N174 HydrophobicContact CG-CB 4.26Å; E172-N174 WeakPolarHBondContact OE1-CB 3.37Å; E172-N174 PolarHBondContact OE1-N 3.4Å; E172-T177 HydrophobicContact CG-CG2 3.78Å; E172-T177 PolarHBondContact OE2-OG1 2.65Å; E172-W178 HydrophobicContact CB-CZ2 4.19Å; E172-W178 PolarHBondContact O-NE1 3.39Å; E172-I416 PolarHBondContact N-O 3.48Å
173H94Very high92.7Very high14 Ų1427.9 Ų27.97%0.06513%0.134CC..  trans-100.68.3174.3-6764.2000112.5I60 H84 F152 H160 F171I60-H173 HydrophobicContact CD1-CB 4.31Å; H84-H173 HydrophobicContact CB-CB 3.88Å; H84-H173 WeakPolarHBondContact O-CB 3.48Å; H84-H173 PolarHBondContact O-N 3.41Å; F152-H173 WeakPolarHBondContact CE1-O 3.36Å; H160-H173 AromaticContact CE1-NE2 3.86Å; H160-H173 AromaticContact NE2-NE2 3.11Å; H160-H173 PolarHBondContact NE2-NE2 3.12Å; H160-H173 VanDerWaalsContact NE2-NE2 3.11Å; F171-H173 AromaticContact CD1-CE1 3.88Å; F171-H173 AromaticContact CD2-CE1 3.8Å; F171-H173 AromaticContact CD2-ND1 4Å; F171-H173 AromaticContact CE1-CE1 3.44Å; F171-H173 VanDerWaalsContact CE1-CE1 3.44Å; F171-H173 WeakPolarHBondContact CE1-CE1 3.35Å; F171-H173 AromaticContact CE1-NE2 3.97Å; F171-H173 AromaticContact CE2-CE1 3.37Å; F171-H173 WeakPolarHBondContact CE2-CE1 3.39Å; F171-H173 AromaticContact CE2-ND1 3.85Å; F171-H173 AromaticContact CE2-NE2 3.74Å; F171-H173 AromaticContact CZ-CE1 3.17Å; F171-H173 WeakPolarHBondContact CZ-CE1 3.17Å; F171-H173 AromaticContact CZ-NE2 3.39Å; F171-H173 WeakPolarHBondContact CZ-NE2 3.44Å; F171-H173 PolarHBondContact O-CE1 3.35Å; F171-H173 PolarHBondContact O-N 2.69Å; F171-H173 PolarHBondContact O-ND1 3.11Å
174N92.1Very high92.7Very high12 Ų1225.9 Ų25.96%0.06413%0.126CC..  trans-95.1111.6174.6-169-3.6000111.2R80 R82 H84 E172 E176 T177 W178R80-N174 PolarHBondContact O-ND2 3.35Å; R82-N174 PolarHBondContact O-ND2 2.92Å; H84-N174 HydrophobicContact CB-CB 4.04Å; E172-N174 HydrophobicContact CG-CB 4.26Å; E172-N174 WeakPolarHBondContact OE1-CB 3.37Å; E172-N174 PolarHBondContact OE1-N 3.4Å; N174-E176 PolarHBondContact O-N 3.06Å; N174-E176 WeakPolarHBondContact OD1-CB 3.5Å; N174-E176 PolarHBondContact OD1-N 3.07Å; N174-T177 WeakPolarHBondContact O-CB 3.18Å; N174-T177 PolarHBondContact O-N 2.94Å; N174-T177 VanDerWaalsContact O-N 3.17Å; N174-W178 VanDerWaalsContact O-CD1 3.25Å; N174-W178 PolarHBondContact O-N 3.12Å
175L92.3Very high92.8Very high6 Ų623.4 Ų23.43%0.03111%0.108CC..Hα-helixtrans-58.1-33.3174.9-179.854.2000112.5E148 E149 F152 T177 W178 R179 W182E148-L175 HydrophobicContact CB-CD2 4.35Å; E149-L175 HydrophobicContact CB-CD2 4.23Å; E149-L175 VanDerWaalsContact OE2-CD2 3.22Å; E149-L175 WeakPolarHBondContact OE2-CD2 3.3Å; F152-L175 HydrophobicContact CB-CD1 3.78Å; F152-L175 HydrophobicContact CB-CD2 4.11Å; F152-L175 HydrophobicContact CB-CG 4.41Å; F152-L175 HydrophobicContact CD1-CB 3.73Å; F152-L175 HydrophobicContact CD1-CD1 4.27Å; F152-L175 HydrophobicContact CD1-CD2 4.45Å; F152-L175 HydrophobicContact CD1-CG 4.37Å; F152-L175 HydrophobicContact CD2-CD1 3.97Å; F152-L175 HydrophobicContact CE1-CB 3.94Å; F152-L175 HydrophobicContact CG-CB 4.11Å; F152-L175 HydrophobicContact CG-CD1 3.74Å; F152-L175 HydrophobicContact CG-CD2 4.43Å; F152-L175 HydrophobicContact CG-CG 4.31Å; L175-T177 VanDerWaalsContact C-N 3.26Å; L175-T177 PolarHBondContact O-N 3.14Å; L175-W178 HydrophobicContact CD1-CB 4.45Å; L175-W178 PolarHBondContact O-N 2.64Å; L175-W178 VanDerWaalsContact O-N 3.09Å; L175-R179 HydrophobicContact CG-CG 4.45Å; L175-R179 PolarHBondContact O-N 3.14Å; L175-W182 HydrophobicContact CD1-CH2 3.62Å; L175-W182 HydrophobicContact CD1-CZ2 4.3Å; L175-W182 HydrophobicContact CD1-CZ3 4.19Å
176E90.4Very high92.9Very high29 Ų2925.2 Ų25.214%0.13611%0.113CC..Hα-helixtrans-61.1-37.8179.1-64.1-62.2131.100111.8R80 Y81 N174 R179 Q180R80-E176 HydrophobicContact CG-CB 4.49Å; R80-E176 HydrophobicContact CG-CG 3.91Å; R80-E176 IonicContact CZ-OE2 2.63Å; R80-E176 VanDerWaalsContact CZ-OE2 3.23Å; R80-E176 IonicContact NE-OE2 2.75Å; R80-E176 PolarHBondContact NE-OE2 3.03Å; R80-E176 IonicContact NH2-OE2 3.27Å; R80-E176 PolarHBondContact NH2-OE2 2.69Å; Y81-E176 HydrophobicContact CD1-CB 3.78Å; Y81-E176 HydrophobicContact CE1-CB 3.79Å; N174-E176 PolarHBondContact O-N 3.06Å; N174-E176 WeakPolarHBondContact OD1-CB 3.5Å; N174-E176 PolarHBondContact OD1-N 3.07Å; E176-R179 WeakPolarHBondContact O-CB 3.2Å; E176-R179 PolarHBondContact O-N 2.87Å; E176-R179 IonicContact OE1-CZ 2.64Å; E176-R179 IonicContact OE1-NH1 3.7Å; E176-R179 PolarHBondContact OE1-NH1 2.79Å; E176-Q180 WeakPolarHBondContact O-CG 3.32Å; E176-Q180 PolarHBondContact O-N 3.02Å
177T91.9Very high93Very high2 Ų220 Ų201%0.0129%0.089CC..Hα-helixtrans-63.6-42.3175-56.90000110.8E172 N174 L175 Q180 L181 P413 L415E172-T177 HydrophobicContact CG-CG2 3.78Å; E172-T177 PolarHBondContact OE2-OG1 2.65Å; N174-T177 WeakPolarHBondContact O-CB 3.18Å; N174-T177 PolarHBondContact O-N 2.94Å; N174-T177 VanDerWaalsContact O-N 3.17Å; L175-T177 VanDerWaalsContact C-N 3.26Å; L175-T177 PolarHBondContact O-N 3.14Å; T177-Q180 WeakPolarHBondContact O-CB 3.29Å; T177-Q180 PolarHBondContact O-N 2.95Å; T177-L181 PolarHBondContact O-N 3.3Å; T177-P413 HydrophobicContact CG2-CB 4.39Å; T177-P413 HydrophobicContact CG2-CG 4.2Å; T177-L415 HydrophobicContact CG2-CD2 3.57Å
178W94.3Very high93.1Very high0 Ų013.3 Ų13.30%06%0.06CC..Hα-helixtrans-68.9-34177.5-67.1110.6000113.1F129 P130 F152 E172 N174 L175 Q180 L181 W182 F417F129-W178 HydrophobicContact CB-CE3 4.39Å; F129-W178 HydrophobicContact CB-CH2 3.77Å; F129-W178 HydrophobicContact CB-CZ3 3.59Å; F129-W178 HydrophobicContact CD2-CZ3 4.39Å; F129-W178 HydrophobicContact CG-CZ3 4.39Å; P130-W178 HydrophobicContact CG-CB 3.85Å; P130-W178 HydrophobicContact CG-CD2 3.36Å; P130-W178 HydrophobicContact CG-CE3 3.82Å; P130-W178 HydrophobicContact CG-CG 3.37Å; P130-W178 HydrophobicContact CG-CZ2 4.45Å; F152-W178 AromaticContact CE2-CD1 3.38Å; F152-W178 HydrophobicContact CE2-CG 4.29Å; F152-W178 AromaticContact CE2-NE1 3.65Å; F152-W178 AromaticContact CZ-CD1 3.8Å; E172-W178 HydrophobicContact CB-CZ2 4.19Å; E172-W178 PolarHBondContact O-NE1 3.39Å; N174-W178 VanDerWaalsContact O-CD1 3.25Å; N174-W178 PolarHBondContact O-N 3.12Å; L175-W178 HydrophobicContact CD1-CB 4.45Å; L175-W178 PolarHBondContact O-N 2.64Å; L175-W178 VanDerWaalsContact O-N 3.09Å; W178-Q180 PolarHBondContact O-N 3.1Å; W178-L181 HydrophobicContact CE3-CD2 3.85Å; W178-L181 HydrophobicContact CZ3-CD2 3.87Å; W178-L181 WeakPolarHBondContact O-CB 3.32Å; W178-L181 PolarHBondContact O-N 3.41Å; W178-L181 VanDerWaalsContact O-N 3.08Å; W178-W182 PolarHBondContact O-N 2.95Å; W178-W182 VanDerWaalsContact O-N 3.08Å; W178-F417 AromaticContact CH2-CD1 3.97Å; W178-F417 HydrophobicContact CH2-CD1 3.97Å; W178-F417 HydrophobicContact CH2-CD2 4.46Å; W178-F417 HydrophobicContact CH2-CE1 4.06Å; W178-F417 HydrophobicContact CH2-CG 4.16Å; W178-F417 HydrophobicContact CH2-CZ 4.34Å; W178-F417 HydrophobicContact CZ3-CD1 4.33Å; W178-F417 AromaticContact CZ3-CE1 3.95Å; W178-F417 HydrophobicContact CZ3-CE1 3.95Å; W178-F417 HydrophobicContact CZ3-CZ 4.06Å
179R92.4Very high93.1Very high39 Ų3913.6 Ų13.615%0.1476%0.062CC..Hα-helixtrans-57.6-36170.4-75.1175.6167.3124.48.5112M145 E148 L175 E176 W182 R183M145-R179 PolarHBondContact O-NH2 3.08Å; E148-R179 IonicContact OE2-CZ 3.24Å; E148-R179 IonicContact OE2-NE 3.22Å; E148-R179 PolarHBondContact OE2-NE 3.36Å; E148-R179 IonicContact OE2-NH2 2.79Å; E148-R179 PolarHBondContact OE2-NH2 3.48Å; L175-R179 HydrophobicContact CG-CG 4.45Å; L175-R179 PolarHBondContact O-N 3.14Å; E176-R179 WeakPolarHBondContact O-CB 3.2Å; E176-R179 PolarHBondContact O-N 2.87Å; E176-R179 IonicContact OE1-CZ 2.64Å; E176-R179 IonicContact OE1-NH1 3.7Å; E176-R179 PolarHBondContact OE1-NH1 2.79Å; R179-W182 HydrophobicContact CB-CE3 4.3Å; R179-W182 HydrophobicContact CG-CE3 3.84Å; R179-W182 HydrophobicContact CG-CZ3 3.7Å; R179-W182 PolarHBondContact O-N 3.4Å; R179-R183 PolarHBondContact O-N 3.2Å; R179-R183 VanDerWaalsContact O-N 3.08Å
180Q91.8Very high93.2Very high4 Ų413.5 Ų13.52%0.0196%0.061CC..Hα-helixtrans-66.5-38.5175.4-56-58-6400112.1Y81 E176 T177 W178 R183 V184 C412 P413Y81-Q180 HydrophobicContact CD1-CG 4.24Å; Y81-Q180 HydrophobicContact CE1-CG 3.97Å; Y81-Q180 VanDerWaalsContact CE1-NE2 3.34Å; Y81-Q180 PolarHBondContact OH-NE2 2.99Å; E176-Q180 WeakPolarHBondContact O-CG 3.32Å; E176-Q180 PolarHBondContact O-N 3.02Å; T177-Q180 WeakPolarHBondContact O-CB 3.29Å; T177-Q180 PolarHBondContact O-N 2.95Å; W178-Q180 PolarHBondContact O-N 3.1Å; Q180-R183 PolarHBondContact O-N 3.15Å; Q180-V184 WeakPolarHBondContact O-CG2 3.3Å; Q180-V184 PolarHBondContact O-N 3.33Å; Q180-C412 HydrophobicContact CB-CB 4.41Å; Q180-P413 HydrophobicContact CB-CG 3.71Å; Q180-P413 HydrophobicContact CG-CG 3.77Å
181L94.3Very high93.3Very high0 Ų012.8 Ų12.80%06%0.058CC..Hα-helixtrans-59.3-51173.2172.361.6000110.7F129 T177 W178 R183 V184 L185 L208 V366 L415 F417F129-L181 HydrophobicContact CD2-CD2 3.78Å; F129-L181 HydrophobicContact CE2-CD2 4.02Å; T177-L181 PolarHBondContact O-N 3.3Å; W178-L181 HydrophobicContact CE3-CD2 3.85Å; W178-L181 HydrophobicContact CZ3-CD2 3.87Å; W178-L181 WeakPolarHBondContact O-CB 3.32Å; W178-L181 PolarHBondContact O-N 3.41Å; W178-L181 VanDerWaalsContact O-N 3.08Å; L181-R183 PolarHBondContact O-N 3.27Å; L181-V184 PolarHBondContact O-N 2.77Å; L181-V184 VanDerWaalsContact O-N 3.12Å; L181-L185 HydrophobicContact CD1-CD1 3.93Å; L181-L185 HydrophobicContact CD1-CD2 4.26Å; L181-L185 HydrophobicContact CD1-CG 3.87Å; L181-L185 HydrophobicContact CG-CD1 4.05Å; L181-L185 HydrophobicContact CG-CG 4.33Å; L181-L185 WeakPolarHBondContact O-CG 3.27Å; L181-L185 PolarHBondContact O-N 3.15Å; L181-L208 HydrophobicContact CD1-CD1 4.41Å; L181-L208 HydrophobicContact CD2-CD1 4.48Å; L181-V366 HydrophobicContact CD1-CG1 3.91Å; L181-V366 HydrophobicContact CD1-CG2 4.08Å; L181-L415 HydrophobicContact CB-CD1 3.62Å; L181-L415 HydrophobicContact CB-CD2 4.25Å; L181-L415 HydrophobicContact CD1-CD1 3.53Å; L181-L415 HydrophobicContact CD2-CD1 3.95Å; L181-L415 HydrophobicContact CG-CD1 3.85Å; L181-F417 HydrophobicContact CD2-CZ 4.49Å
182W94Very high93.5Very high9 Ų912.7 Ų12.73%0.0346%0.058CC..Hα-helixtrans-56.1-43.1-179.1-56.9-25000111.3P130 R132 E148 L175 W178 R179 V184 L185 E186P130-W182 HydrophobicContact CB-CZ2 4.34Å; P130-W182 PolarHBondContact O-NE1 3.42Å; R132-W182 HydrophobicContact CB-CB 4.29Å; R132-W182 HydrophobicContact CB-CD2 3.56Å; R132-W182 HydrophobicContact CB-CE3 3.9Å; R132-W182 HydrophobicContact CB-CG 3.75Å; R132-W182 HydrophobicContact CB-CZ2 4.35Å; R132-W182 HydrophobicContact CB-CZ3 4.43Å; R132-W182 HydrophobicContact CG-CD2 3.77Å; R132-W182 HydrophobicContact CG-CE3 3.55Å; R132-W182 HydrophobicContact CG-CG 4.24Å; R132-W182 HydrophobicContact CG-CH2 4.48Å; R132-W182 HydrophobicContact CG-CZ3 3.94Å; E148-W182 HydrophobicContact CB-CH2 4.28Å; E148-W182 HydrophobicContact CB-CZ3 4.15Å; E148-W182 HydrophobicContact CG-CH2 4.25Å; E148-W182 HydrophobicContact CG-CZ3 3.79Å; L175-W182 HydrophobicContact CD1-CH2 3.62Å; L175-W182 HydrophobicContact CD1-CZ2 4.3Å; L175-W182 HydrophobicContact CD1-CZ3 4.19Å; W178-W182 PolarHBondContact O-N 2.95Å; W178-W182 VanDerWaalsContact O-N 3.08Å; R179-W182 HydrophobicContact CB-CE3 4.3Å; R179-W182 HydrophobicContact CG-CE3 3.84Å; R179-W182 HydrophobicContact CG-CZ3 3.7Å; R179-W182 PolarHBondContact O-N 3.4Å; W182-V184 PolarHBondContact O-N 2.89Å; W182-L185 PolarHBondContact O-N 2.65Å; W182-E186 WeakPolarHBondContact O-CB 3.48Å; W182-E186 VanDerWaalsContact O-CG 3.26Å; W182-E186 WeakPolarHBondContact O-CG 3.32Å; W182-E186 PolarHBondContact O-N 3.06Å
183R89.7Confident93.6Very high32 Ų3212.8 Ų12.812%0.1216%0.058CC..Hα-helixtrans-62-44.8177.6-178.152.1175169.5-1.1112.6R179 Q180 L181 L185 E186 M187 T349 F398R179-R183 PolarHBondContact O-N 3.2Å; R179-R183 VanDerWaalsContact O-N 3.08Å; Q180-R183 PolarHBondContact O-N 3.15Å; L181-R183 PolarHBondContact O-N 3.27Å; R183-L185 VanDerWaalsContact C-N 3.34Å; R183-L185 PolarHBondContact O-N 3.15Å; R183-E186 PolarHBondContact O-N 3.27Å; R183-M187 HydrophobicContact CG-CE 3.64Å; R183-M187 VanDerWaalsContact NE-CE 3.35Å; R183-M187 PolarHBondContact NE-SD 3.03Å; R183-M187 VanDerWaalsContact NE-SD 3.36Å; R183-M187 PolarHBondContact NH2-SD 3.4Å; R183-M187 WeakPolarHBondContact O-CE 3.32Å; R183-M187 PolarHBondContact O-N 3.13Å; R183-T349 PolarHBondContact NH1-OG1 3.21Å; R183-F398 HydrophobicContact CG-CD2 4.41Å; R183-F398 HydrophobicContact CG-CG 4.49Å
184V92.9Very high93.9Very high0 Ų012.1 Ų12.10%06%0.055CC..Hα-helixtrans-58-49.8174.8172.90000110.2Q180 L181 W182 E186 M187 S188 V366 F398 C412Q180-V184 WeakPolarHBondContact O-CG2 3.3Å; Q180-V184 PolarHBondContact O-N 3.33Å; L181-V184 PolarHBondContact O-N 2.77Å; L181-V184 VanDerWaalsContact O-N 3.12Å; W182-V184 PolarHBondContact O-N 2.89Å; V184-E186 VanDerWaalsContact C-N 3.33Å; V184-E186 PolarHBondContact O-N 2.7Å; V184-M187 PolarHBondContact O-N 3.03Å; V184-S188 VanDerWaalsContact O-CB 3.31Å; V184-S188 WeakPolarHBondContact O-CB 3.02Å; V184-S188 PolarHBondContact O-N 2.71Å; V184-S188 PolarHBondContact O-OG 2.95Å; V184-V366 HydrophobicContact CG1-CG2 3.76Å; V184-F398 HydrophobicContact CG2-CD2 3.72Å; V184-F398 HydrophobicContact CG2-CE2 3.78Å; V184-C412 HydrophobicContact CG2-CB 3.47Å; V184-C412 VanDerWaalsContact CG2-CB 3.47Å
185L94.2Very high94.2Very high8 Ų811.5 Ų11.54%0.0425%0.052CC..Hα-helixtrans-62.7-39.4-177.5-63.8-178.1000112.3L181 W182 R183 M187 S188 V191 L208 Y211 V212 L216L181-L185 HydrophobicContact CD1-CD1 3.93Å; L181-L185 HydrophobicContact CD1-CD2 4.26Å; L181-L185 HydrophobicContact CD1-CG 3.87Å; L181-L185 HydrophobicContact CG-CD1 4.05Å; L181-L185 HydrophobicContact CG-CG 4.33Å; L181-L185 WeakPolarHBondContact O-CG 3.27Å; L181-L185 PolarHBondContact O-N 3.15Å; W182-L185 PolarHBondContact O-N 2.65Å; R183-L185 VanDerWaalsContact C-N 3.34Å; R183-L185 PolarHBondContact O-N 3.15Å; L185-M187 VanDerWaalsContact C-N 3.33Å; L185-M187 PolarHBondContact O-N 2.96Å; L185-S188 PolarHBondContact O-N 3.13Å; L185-V191 HydrophobicContact CD2-CG1 4.35Å; L185-V191 HydrophobicContact CD2-CG2 3.85Å; L185-L208 HydrophobicContact CD1-CD1 4.27Å; L185-Y211 HydrophobicContact CD1-CD1 4.11Å; L185-Y211 HydrophobicContact CD1-CE1 3.87Å; L185-V212 HydrophobicContact CD1-CG2 4.47Å; L185-V212 HydrophobicContact CD2-CG2 3.85Å; L185-L216 HydrophobicContact CB-CD1 4.02Å; L185-L216 HydrophobicContact CD1-CD1 4.15Å
186E91.3Very high94.4Very high71 Ų7111.3 Ų11.333%0.3325%0.051SC..Hα-helixtrans-65.9-32.2179-76.3170.1177.900113.6R132 W182 R183 V184R132-E186 WeakPolarHBondContact CD-OE1 3.31Å; R132-E186 IonicContact CZ-OE1 2.82Å; R132-E186 IonicContact NE-OE1 3.52Å; R132-E186 IonicContact NH1-OE1 2.76Å; R132-E186 PolarHBondContact NH1-OE1 2.76Å; R132-E186 IonicContact NH1-OE2 2.79Å; R132-E186 PolarHBondContact NH1-OE2 2.83Å; W182-E186 WeakPolarHBondContact O-CB 3.48Å; W182-E186 VanDerWaalsContact O-CG 3.26Å; W182-E186 WeakPolarHBondContact O-CG 3.32Å; W182-E186 PolarHBondContact O-N 3.06Å; R183-E186 PolarHBondContact O-N 3.27Å; V184-E186 VanDerWaalsContact C-N 3.33Å; V184-E186 PolarHBondContact O-N 2.7Å
187M90Very high94.7Very high28 Ų289.9 Ų9.914%0.1384%0.044CC..Hα-helixtrans-92-16-179.8-73.2-169.7-64.300114.2R183 V184 L185 T362 F398R183-M187 HydrophobicContact CG-CE 3.64Å; R183-M187 VanDerWaalsContact NE-CE 3.35Å; R183-M187 PolarHBondContact NE-SD 3.03Å; R183-M187 VanDerWaalsContact NE-SD 3.36Å; R183-M187 PolarHBondContact NH2-SD 3.4Å; R183-M187 WeakPolarHBondContact O-CE 3.32Å; R183-M187 PolarHBondContact O-N 3.13Å; V184-M187 PolarHBondContact O-N 3.03Å; L185-M187 VanDerWaalsContact C-N 3.33Å; L185-M187 PolarHBondContact O-N 2.96Å; M187-T362 HydrophobicContact CB-CG2 4.47Å; M187-T362 WeakPolarHBondContact O-CB 3.43Å; M187-T362 WeakPolarHBondContact O-CG2 3.36Å; M187-F398 HydrophobicContact CE-CD1 4.15Å; M187-F398 HydrophobicContact CE-CD2 4.02Å; M187-F398 HydrophobicContact CE-CE1 3.41Å; M187-F398 VanDerWaalsContact CE-CE1 3.41Å; M187-F398 HydrophobicContact CE-CE2 3.22Å; M187-F398 HydrophobicContact CE-CG 4.43Å; M187-F398 HydrophobicContact CE-CZ 2.92Å; M187-F398 HydrophobicContact SD-CE1 4.42Å; M187-F398 HydrophobicContact SD-CZ 4.21Å
188S94.6Very high95Very high4 Ų410 Ų103%0.0284%0.044CC..  trans-81.7132.5-170.8-63.90000111.9V184 L185 L218 G364V184-S188 VanDerWaalsContact O-CB 3.31Å; V184-S188 WeakPolarHBondContact O-CB 3.02Å; V184-S188 PolarHBondContact O-N 2.71Å; V184-S188 PolarHBondContact O-OG 2.95Å; L185-S188 PolarHBondContact O-N 3.13Å; S188-L218 WeakPolarHBondContact O-CD2 3.42Å; S188-G364 WeakPolarHBondContact OG-CA 3.43Å; S188-G364 PolarHBondContact OG-N 2.85Å
189D95Very high95.1Very high9 Ų910.2 Ų10.25%0.0485%0.046CC..SBendtrans-81.4-37.9162.2-62.4-62.9000110.6R355 Y356 V361 T362D189-R355 PolarHBondContact O-NH1 3.18Å; D189-R355 WeakPolarHBondContact OD1-CA 3.38Å; D189-R355 VanDerWaalsContact OD1-CD 3.29Å; D189-R355 WeakPolarHBondContact OD1-CD 3.14Å; D189-Y356 HydrophobicContact CB-CD1 4.12Å; D189-Y356 HydrophobicContact CB-CE1 3.82Å; D189-Y356 PolarHBondContact OD1-N 3.06Å; D189-V361 HydrophobicContact CB-CG2 4.04Å; D189-T362 WeakPolarHBondContact CB-O 3.41Å; D189-T362 PolarHBondContact N-O 2.82Å; D189-T362 PolarHBondContact OD2-N 2.97Å
190I96.9Very high95.4Very high0 Ų08.4 Ų8.40%04%0.039CC..EExtended strand (participates in β ladder)trans-129.5134.3179.1-55.4179000108.2L192 V221 C294 I297 T298 V361 T362 I363 G364I190-L192 HydrophobicContact CG2-CD2 4.31Å; I190-V221 HydrophobicContact CG2-CG2 3.79Å; I190-C294 HydrophobicContact CD1-CB 4.3Å; I190-I297 HydrophobicContact CD1-CB 4.15Å; I190-I297 HydrophobicContact CD1-CD1 4.24Å; I190-I297 HydrophobicContact CD1-CG2 3.77Å; I190-I297 HydrophobicContact CG1-CG2 3.92Å; I190-I297 HydrophobicContact CG2-CD1 4.19Å; I190-T298 HydrophobicContact CD1-CG2 4.3Å; I190-V361 HydrophobicContact CD1-CG2 3.97Å; I190-V361 HydrophobicContact CG1-CG2 4.24Å; I190-T362 PolarHBondContact N-O 3Å; I190-T362 VanDerWaalsContact N-O 3.14Å; I190-I363 HydrophobicContact CB-CG1 4.47Å; I190-I363 CarbonylContact O-C 3.58Å; I190-I363 WeakPolarHBondContact O-CA 3.34Å; I190-G364 PolarHBondContact O-N 2.82Å
191V97.8Very high95.6Very high0 Ų08.2 Ų8.20%04%0.038CC..EExtended strand (participates in β ladder)trans-103.2128.9174.5179.90000109.3L185 V212 L218 A219 L220 V221 G364 V366L185-V191 HydrophobicContact CD2-CG1 4.35Å; L185-V191 HydrophobicContact CD2-CG2 3.85Å; V191-V212 HydrophobicContact CB-CG1 4.14Å; V191-V212 HydrophobicContact CG2-CG1 3.95Å; V191-L218 HydrophobicContact CG2-CB 4.41Å; V191-L218 HydrophobicContact CG2-CD1 3.52Å; V191-A219 PolarHBondContact N-O 3.46Å; V191-L220 HydrophobicContact CB-CD1 3.68Å; V191-L220 HydrophobicContact CG1-CD1 3.58Å; V191-L220 WeakPolarHBondContact O-CA 3.28Å; V191-V221 PolarHBondContact O-N 3.19Å; V191-G364 CarbonylContact C-O 3.56Å; V191-G364 WeakPolarHBondContact CA-O 3.33Å; V191-V366 HydrophobicContact CG1-CB 4.38Å; V191-V366 HydrophobicContact CG1-CG2 4.01Å
192L98.4Very high95.8Very high0 Ų08.3 Ų8.30%04%0.038CC..EExtended strand (participates in β ladder)trans-97112.8167-50.6-172000108.7I190 I194 V221 V223 L290 I363 G364 V366 L376I190-L192 HydrophobicContact CG2-CD2 4.31Å; L192-I194 HydrophobicContact CB-CD1 4.45Å; L192-I194 HydrophobicContact CB-CG1 4.29Å; L192-V221 CarbonylContact C-O 3.57Å; L192-V221 WeakPolarHBondContact CA-O 3.42Å; L192-V221 HydrophobicContact CD2-CB 3.59Å; L192-V221 HydrophobicContact CD2-CG1 4.12Å; L192-V221 HydrophobicContact CD2-CG2 3.95Å; L192-V223 HydrophobicContact CB-CG2 4.29Å; L192-L290 HydrophobicContact CD1-CD1 4.2Å; L192-L290 HydrophobicContact CD1-CD2 4.01Å; L192-L290 HydrophobicContact CD2-CD1 3.7Å; L192-I363 HydrophobicContact CD1-CG2 3.54Å; L192-I363 HydrophobicContact CD2-CG2 3.76Å; L192-I363 HydrophobicContact CG-CG2 3.37Å; L192-G364 PolarHBondContact N-O 2.69Å; L192-V366 PolarHBondContact O-N 3.2Å; L192-V366 VanDerWaalsContact O-O 3.09Å; L192-L376 HydrophobicContact CD1-CD2 4.47Å
193L98.1Very high96Very high1 Ų17.9 Ų7.91%0.0054%0.037CC..EExtended strand (participates in β ladder)trans-92.8110.8169.3177.756.8000109F204 L208 L220 V221 L222 V223 V366L193-F204 HydrophobicContact CD2-CD2 3.37Å; L193-F204 HydrophobicContact CD2-CE2 3.61Å; L193-F204 HydrophobicContact CD2-CG 4.19Å; L193-F204 HydrophobicContact CG-CD2 4.28Å; L193-L208 HydrophobicContact CD1-CD2 4.12Å; L193-L220 HydrophobicContact CB-CD1 3.97Å; L193-V221 PolarHBondContact N-O 2.84Å; L193-L222 WeakPolarHBondContact O-CA 3.43Å; L193-L222 WeakPolarHBondContact O-CD1 3.48Å; L193-V223 PolarHBondContact O-N 3.12Å; L193-V366 WeakPolarHBondContact CA-O 3.46Å
194I98.5Very high96.3Very high0 Ų06.4 Ų6.40%03%0.031CC..EExtended strand (participates in β ladder)trans-100.7128.3-170.6-56.9146.2000109.4L192 V223 N225 C365 V366 V371 K373 L376L192-I194 HydrophobicContact CB-CD1 4.45Å; L192-I194 HydrophobicContact CB-CG1 4.29Å; I194-V223 HydrophobicContact CB-CB 4.5Å; I194-V223 HydrophobicContact CG1-CB 4.1Å; I194-V223 HydrophobicContact CG1-CG2 4.26Å; I194-V223 HydrophobicContact CG2-CB 4.49Å; I194-N225 HydrophobicContact CG2-CB 3.94Å; I194-C365 HydrophobicContact CD1-CB 3.76Å; I194-V366 PolarHBondContact N-O 2.93Å; I194-V371 HydrophobicContact CB-CG2 4.08Å; I194-V371 HydrophobicContact CG2-CB 4.32Å; I194-V371 HydrophobicContact CG2-CG2 3.79Å; I194-V371 WeakPolarHBondContact O-CG2 3.5Å; I194-K373 HydrophobicContact CD1-CB 4Å; I194-K373 HydrophobicContact CD1-CD 4.27Å; I194-K373 HydrophobicContact CD1-CG 3.65Å; I194-L376 HydrophobicContact CD1-CD1 4.45Å; I194-L376 HydrophobicContact CG1-CD1 4.24Å; I194-L376 HydrophobicContact CG2-CD1 4.5Å
195T98.4Very high96.5Very high0 Ų06.5 Ų6.50%03%0.032CC..EExtended strand (participates in β ladder)trans-128.5151.4-175.561.40000110.7N203 F204 L222 V223 L224 N225T195-N203 HydrophobicContact CG2-CB 3.77Å; T195-F204 HydrophobicContact CG2-CB 4.36Å; T195-L222 HydrophobicContact CG2-CD1 3.53Å; T195-V223 PolarHBondContact N-O 3.42Å; T195-V223 PolarHBondContact OG1-O 3.5Å; T195-L224 WeakPolarHBondContact OG1-CD2 3.48Å; T195-N225 WeakPolarHBondContact O-CA 3.37Å; T195-N225 WeakPolarHBondContact O-CB 3.28Å; T195-N225 PolarHBondContact O-N 3.03Å
196D97.7Very high96.6Very high1 Ų16.2 Ų6.21%0.0053%0.031CC..EExtended strand (participates in β ladder)trans-85.5126.2171.4-168.8-48.5000108.9R198 H199 N203 K226D196-R198 PolarHBondContact O-N 3.38Å; D196-R198 WeakPolarHBondContact OD1-CB 3.42Å; D196-R198 WeakPolarHBondContact OD1-CG 3.46Å; D196-R198 IonicContact OD1-CZ 3.73Å; D196-R198 PolarHBondContact OD1-N 2.91Å; D196-R198 IonicContact OD1-NE 3.62Å; D196-R198 PolarHBondContact OD1-NE 3.28Å; D196-R198 IonicContact OD1-NH2 3.3Å; D196-R198 IonicContact OD2-CZ 3.52Å; D196-R198 IonicContact OD2-NE 3.42Å; D196-R198 PolarHBondContact OD2-NE 2.75Å; D196-R198 IonicContact OD2-NH2 3.66Å; D196-R198 PolarHBondContact OD2-NH2 2.56Å; D196-H199 VanDerWaalsContact CB-CE1 3.49Å; D196-H199 WeakPolarHBondContact CB-CE1 3.38Å; D196-H199 CarbonylContact O-C 3.59Å; D196-H199 PolarHBondContact O-N 3.48Å; D196-N203 PolarHBondContact N-OD1 2.86Å; D196-K226 WeakPolarHBondContact OD2-CD 3.21Å; D196-K226 WeakPolarHBondContact OD2-CE 3.44Å; D196-K226 IonicContact OD2-NZ 2.62Å; D196-K226 PolarHBondContact OD2-NZ 2.97Å
197I97.4Very high96.9Very high0 Ų03.5 Ų3.50%02%0.02CC..THydrogen-bonded Turntrans-58.4-21.8-174.3-170.856000114.2H199 P200 L224 N225 K226 V227 A230 V235 W238I197-H199 PolarHBondContact O-N 3.41Å; I197-P200 WeakPolarHBondContact O-CD 3.33Å; I197-L224 HydrophobicContact CD1-CB 4.02Å; I197-L224 HydrophobicContact CD1-CD1 4.04Å; I197-L224 HydrophobicContact CD1-CD2 4.41Å; I197-L224 HydrophobicContact CD1-CG 4.39Å; I197-N225 WeakPolarHBondContact CB-O 3.49Å; I197-N225 WeakPolarHBondContact CG2-O 3.38Å; I197-N225 PolarHBondContact N-O 3.02Å; I197-K226 WeakPolarHBondContact CG2-O 3.15Å; I197-V227 HydrophobicContact CG1-CG1 4.4Å; I197-A230 HydrophobicContact CB-CB 4.43Å; I197-A230 HydrophobicContact CG1-CB 3.82Å; I197-A230 HydrophobicContact CG2-CB 3.72Å; I197-V235 HydrophobicContact CD1-CB 4.34Å; I197-V235 HydrophobicContact CD1-CG1 4.07Å; I197-V235 HydrophobicContact CD1-CG2 4.29Å; I197-V235 HydrophobicContact CG1-CG1 4.45Å; I197-V235 HydrophobicContact CG1-CG2 3.92Å; I197-W238 HydrophobicContact CD1-CB 4.29Å
198R96.5Very high97.2Very high4 Ų42.1 Ų2.12%0.0151%0.013CC..THydrogen-bonded Turntrans-71.8-22.7-179.3-64.2175.8-71172.91.4112.3D196 L229 A509 V510 C517 F518D196-R198 PolarHBondContact O-N 3.38Å; D196-R198 WeakPolarHBondContact OD1-CB 3.42Å; D196-R198 WeakPolarHBondContact OD1-CG 3.46Å; D196-R198 IonicContact OD1-CZ 3.73Å; D196-R198 PolarHBondContact OD1-N 2.91Å; D196-R198 IonicContact OD1-NE 3.62Å; D196-R198 PolarHBondContact OD1-NE 3.28Å; D196-R198 IonicContact OD1-NH2 3.3Å; D196-R198 IonicContact OD2-CZ 3.52Å; D196-R198 IonicContact OD2-NE 3.42Å; D196-R198 PolarHBondContact OD2-NE 2.75Å; D196-R198 IonicContact OD2-NH2 3.66Å; D196-R198 PolarHBondContact OD2-NH2 2.56Å; R198-L229 HydrophobicContact CG-CB 4.07Å; R198-A509 PolarHBondContact NH1-O 3.01Å; R198-V510 PolarHBondContact NH1-O 2.82Å; R198-V510 PolarHBondContact NH2-O 3.34Å; R198-V510 VanDerWaalsContact NH2-O 3.12Å; R198-C517 WeakPolarHBondContact O-CA 3.08Å; R198-F518 PolarHBondContact O-N 3.17Å
199H97Very high97.3Very high5 Ų53 Ų32%0.0232%0.016CC..SBendtrans-15759.8-177.54761.1000111.1D196 I197 V201 V202 N203 A429 F518D196-H199 VanDerWaalsContact CB-CE1 3.49Å; D196-H199 WeakPolarHBondContact CB-CE1 3.38Å; D196-H199 CarbonylContact O-C 3.59Å; D196-H199 PolarHBondContact O-N 3.48Å; I197-H199 PolarHBondContact O-N 3.41Å; H199-V201 VanDerWaalsContact C-N 3.32Å; H199-V201 PolarHBondContact O-N 3.1Å; H199-V202 HydrophobicContact CB-CB 4.15Å; H199-V202 HydrophobicContact CB-CG2 3.9Å; H199-V202 VanDerWaalsContact O-CB 3.32Å; H199-V202 WeakPolarHBondContact O-CB 3.33Å; H199-V202 PolarHBondContact O-N 2.99Å; H199-N203 PolarHBondContact CE1-OD1 3.32Å; H199-N203 VanDerWaalsContact CE1-OD1 3.22Å; H199-N203 PolarHBondContact ND1-OD1 2.79Å; H199-N203 PolarHBondContact O-OD1 2.87Å; H199-A429 WeakPolarHBondContact NE2-CA 3.34Å; H199-A429 WeakPolarHBondContact NE2-CB 3.45Å; H199-F518 HydrophobicContact CB-CD2 4.25Å
200P97.9Very high97.3Very high0 Ų07.1 Ų7.10%04%0.035CC..Hα-helixtrans-66.8-33.1-16927.5-35.7000112.6I197 V202 N203 F204 L224 W238 F242I197-P200 WeakPolarHBondContact O-CD 3.33Å; P200-V202 PolarHBondContact O-N 3.49Å; P200-N203 CarbonylContact O-C 3.47Å; P200-N203 PolarHBondContact O-N 2.76Å; P200-F204 WeakPolarHBondContact O-CB 3.38Å; P200-F204 PolarHBondContact O-N 3.02Å; P200-L224 HydrophobicContact CB-CD2 3.78Å; P200-L224 HydrophobicContact CG-CD2 4.47Å; P200-W238 HydrophobicContact CG-CB 4.26Å; P200-W238 HydrophobicContact CG-CD2 3.36Å; P200-W238 HydrophobicContact CG-CE3 3.71Å; P200-W238 HydrophobicContact CG-CG 3.63Å; P200-W238 HydrophobicContact CG-CH2 4.41Å; P200-W238 HydrophobicContact CG-CZ2 4.08Å; P200-W238 HydrophobicContact CG-CZ3 4.24Å; P200-F242 HydrophobicContact CB-CE2 3.69Å; P200-F242 HydrophobicContact CB-CZ 4.05Å; P200-F242 HydrophobicContact CG-CE2 3.84Å; P200-F242 HydrophobicContact CG-CZ 4.46Å
201V97.6Very high97.2Very high0 Ų08.7 Ų8.70%04%0.041CC..Hα-helixtrans-65.3-24.1174.4-65.50000113.3L115 I117 Y121 H199 N203 W238 Y241 F242L115-V201 HydrophobicContact CB-CG2 4.14Å; L115-V201 HydrophobicContact CD2-CG2 3.7Å; L115-V201 HydrophobicContact CG-CG2 3.79Å; I117-V201 HydrophobicContact CB-CB 4.13Å; I117-V201 HydrophobicContact CB-CG1 4.06Å; I117-V201 HydrophobicContact CD1-CB 4.45Å; I117-V201 HydrophobicContact CD1-CG1 4.44Å; I117-V201 HydrophobicContact CG1-CB 4.23Å; I117-V201 HydrophobicContact CG1-CG1 4.48Å; Y121-V201 WeakPolarHBondContact CE2-O 3.5Å; H199-V201 VanDerWaalsContact C-N 3.32Å; H199-V201 PolarHBondContact O-N 3.1Å; V201-N203 VanDerWaalsContact C-N 3.34Å; V201-W238 HydrophobicContact CB-CH2 4.38Å; V201-W238 HydrophobicContact CG1-CE3 4.35Å; V201-W238 HydrophobicContact CG1-CH2 3.62Å; V201-W238 HydrophobicContact CG1-CZ3 3.38Å; V201-W238 HydrophobicContact CG2-CH2 3.88Å; V201-Y241 HydrophobicContact CG1-CE1 3.87Å; V201-F242 HydrophobicContact CG1-CZ 4.1Å
202V97.5Very high97.1Very high2 Ų28.7 Ų8.71%0.0124%0.041CC..Hα-helixtrans-69.6-38172.2173.60000110.3L115 Y121 H199 P200 L421 L425 I431L115-V202 HydrophobicContact CD2-CG2 3.67Å; Y121-V202 PolarHBondContact OH-O 3.5Å; H199-V202 HydrophobicContact CB-CB 4.15Å; H199-V202 HydrophobicContact CB-CG2 3.9Å; H199-V202 VanDerWaalsContact O-CB 3.32Å; H199-V202 WeakPolarHBondContact O-CB 3.33Å; H199-V202 PolarHBondContact O-N 2.99Å; P200-V202 PolarHBondContact O-N 3.49Å; V202-L421 HydrophobicContact CB-CD2 4.4Å; V202-L421 HydrophobicContact CG1-CD1 4.37Å; V202-L421 HydrophobicContact CG1-CD2 3.41Å; V202-L421 VanDerWaalsContact CG1-CD2 3.41Å; V202-L421 HydrophobicContact CG2-CD1 3.67Å; V202-L421 HydrophobicContact CG2-CD2 4.11Å; V202-L425 HydrophobicContact CG2-CD2 4.43Å; V202-I431 HydrophobicContact CG1-CD1 3.94Å
203N97.7Very high96.9Very high1 Ų19.8 Ų9.81%0.0055%0.048CC..Hα-helixtrans-93.92.1-174.8-55.1132.1000114T195 D196 H199 P200 V201 P205 F368 V371T195-N203 HydrophobicContact CG2-CB 3.77Å; D196-N203 PolarHBondContact N-OD1 2.86Å; H199-N203 PolarHBondContact CE1-OD1 3.32Å; H199-N203 VanDerWaalsContact CE1-OD1 3.22Å; H199-N203 PolarHBondContact ND1-OD1 2.79Å; H199-N203 PolarHBondContact O-OD1 2.87Å; P200-N203 CarbonylContact O-C 3.47Å; P200-N203 PolarHBondContact O-N 2.76Å; V201-N203 VanDerWaalsContact C-N 3.34Å; N203-P205 WeakPolarHBondContact O-CD 3.47Å; N203-F368 HydrophobicContact CB-CD2 3.94Å; N203-F368 HydrophobicContact CB-CG 4.39Å; N203-F368 WeakPolarHBondContact O-CD2 3.03Å; N203-F368 WeakPolarHBondContact O-CE2 3.31Å; N203-V371 HydrophobicContact CB-CG1 4.16Å
204F97.8Very high96.7Very high0 Ų012.4 Ų12.40%08%0.075CC..  trans-112.896.4-178.8-173.2-88.2000110I117 Y121 L193 T195 P200 P206 Y209 L222 F242 Y246 L249I117-F204 HydrophobicContact CD1-CD1 3.67Å; I117-F204 HydrophobicContact CD1-CE1 4.44Å; Y121-F204 WeakPolarHBondContact CE2-O 3.18Å; L193-F204 HydrophobicContact CD2-CD2 3.37Å; L193-F204 HydrophobicContact CD2-CE2 3.61Å; L193-F204 HydrophobicContact CD2-CG 4.19Å; L193-F204 HydrophobicContact CG-CD2 4.28Å; T195-F204 HydrophobicContact CG2-CB 4.36Å; P200-F204 WeakPolarHBondContact O-CB 3.38Å; P200-F204 PolarHBondContact O-N 3.02Å; F204-P206 VanDerWaalsContact O-CD 3.3Å; F204-P206 WeakPolarHBondContact O-CD 3.27Å; F204-Y209 HydrophobicContact CE1-CG 4.48Å; F204-Y209 AromaticContact CZ-CD2 3.9Å; F204-Y209 HydrophobicContact CZ-CD2 3.9Å; F204-Y209 HydrophobicContact CZ-CG 4.01Å; F204-L222 HydrophobicContact CD2-CD1 3.83Å; F204-L222 HydrophobicContact CE2-CD1 4.26Å; F204-F242 HydrophobicContact CB-CE1 3.96Å; F204-F242 HydrophobicContact CB-CZ 4.1Å; F204-F242 AromaticContact CD1-CE1 3.77Å; F204-F242 HydrophobicContact CD1-CE1 3.77Å; F204-F242 HydrophobicContact CD2-CD1 4.38Å; F204-F242 AromaticContact CD2-CE1 3.8Å; F204-F242 HydrophobicContact CD2-CE1 3.8Å; F204-F242 HydrophobicContact CE1-CE1 4.17Å; F204-F242 HydrophobicContact CE2-CD1 4.37Å; F204-F242 HydrophobicContact CE2-CE1 4.19Å; F204-F242 HydrophobicContact CG-CD1 4.48Å; F204-F242 AromaticContact CG-CE1 3.56Å; F204-F242 HydrophobicContact CG-CE1 3.56Å; F204-F242 HydrophobicContact CG-CZ 4.21Å; F204-F242 HydrophobicContact CZ-CD1 4.45Å; F204-F242 HydrophobicContact CZ-CE1 4.35Å; F204-Y246 HydrophobicContact CD1-CE2 4.39Å; F204-Y246 HydrophobicContact CE1-CD1 4.11Å; F204-Y246 HydrophobicContact CE1-CD2 4.11Å; F204-Y246 AromaticContact CE1-CE1 3.76Å; F204-Y246 HydrophobicContact CE1-CE1 3.76Å; F204-Y246 AromaticContact CE1-CE2 3.75Å; F204-Y246 HydrophobicContact CE1-CE2 3.75Å; F204-Y246 HydrophobicContact CE1-CG 4.27Å; F204-Y246 AromaticContact CE1-CZ 3.57Å; F204-Y246 HydrophobicContact CZ-CD1 4.17Å; F204-Y246 HydrophobicContact CZ-CD2 4.23Å; F204-Y246 HydrophobicContact CZ-CE1 4.28Å; F204-Y246 HydrophobicContact CZ-CE2 4.34Å; F204-Y246 HydrophobicContact CZ-CG 4.14Å; F204-L249 HydrophobicContact CE2-CD1 4.42Å; F204-L249 HydrophobicContact CE2-CD2 3.96Å; F204-L249 HydrophobicContact CZ-CD2 4.26Å
205P96.8Very high96.4Very high2 Ų217.9 Ų17.91%0.01310%0.101CC..  trans-81.3115.6176.326.3-21.5000109.9Y121 N203 A207 L208 Y209 F368 F417Y121-P205 HydrophobicContact CE1-CB 4.09Å; N203-P205 WeakPolarHBondContact O-CD 3.47Å; P205-A207 PolarHBondContact O-N 3.49Å; P205-L208 HydrophobicContact CB-CB 4.43Å; P205-L208 HydrophobicContact CG-CB 3.85Å; P205-L208 HydrophobicContact CG-CD2 4.21Å; P205-L208 PolarHBondContact O-N 3.01Å; P205-L208 VanDerWaalsContact O-N 3.11Å; P205-Y209 PolarHBondContact O-N 2.57Å; P205-F368 HydrophobicContact CG-CE2 4.27Å; P205-F417 HydrophobicContact CB-CB 4.32Å; P205-F417 HydrophobicContact CB-CD1 3.73Å; P205-F417 HydrophobicContact CB-CD2 4.29Å; P205-F417 HydrophobicContact CB-CE1 4.1Å; P205-F417 HydrophobicContact CB-CG 3.85Å; P205-F417 HydrophobicContact CG-CD1 3.86Å; P205-F417 HydrophobicContact CG-CD2 3.83Å; P205-F417 HydrophobicContact CG-CE1 3.8Å; P205-F417 HydrophobicContact CG-CE2 3.78Å; P205-F417 HydrophobicContact CG-CG 3.89Å; P205-F417 HydrophobicContact CG-CZ 3.79Å
206P96.5Very high96.1Very high3 Ų319.4 Ų19.42%0.01911%0.109CC..Hα-helixtrans-58.9-33.5-177.6-26.536.3000113.6I117 Y121 P123 F204 L208 Y209 E210I117-P206 HydrophobicContact CD1-CG 3.71Å; I117-P206 HydrophobicContact CG1-CG 4Å; Y121-P206 VanDerWaalsContact CD2-CD 3.47Å; Y121-P206 HydrophobicContact CD2-CG 4.33Å; Y121-P206 HydrophobicContact CG-CG 4.44Å; P123-P206 HydrophobicContact CG-CB 3.98Å; P123-P206 HydrophobicContact CG-CG 4.1Å; F204-P206 VanDerWaalsContact O-CD 3.3Å; F204-P206 WeakPolarHBondContact O-CD 3.27Å; P206-L208 VanDerWaalsContact C-N 3.29Å; P206-L208 PolarHBondContact O-N 3.13Å; P206-Y209 VanDerWaalsContact O-CB 3.32Å; P206-Y209 WeakPolarHBondContact O-CB 3.27Å; P206-Y209 PolarHBondContact O-N 3.32Å; P206-Y209 VanDerWaalsContact O-N 3.12Å; P206-E210 WeakPolarHBondContact O-CG 2.96Å; P206-E210 PolarHBondContact O-N 3.42Å
207A96.1Very high95.9Very high13 Ų1321.6 Ų21.611%0.10713%0.132CC..Hα-helixtrans-63-35.517900000112.7D128 F129 P205 Y211D128-A207 WeakPolarHBondContact OD1-CB 3.23Å; F129-A207 HydrophobicContact CD1-CB 4.22Å; F129-A207 HydrophobicContact CE1-CB 4.42Å; P205-A207 PolarHBondContact O-N 3.49Å; A207-Y211 WeakPolarHBondContact O-CB 3.12Å; A207-Y211 PolarHBondContact O-N 3.01Å
208L96.5Very high95.7Very high0 Ų022 Ų220%013%0.134CC..Hα-helixtrans-67.7-41.1174.2-177.565.8000110.8F129 L181 L185 L193 P205 P206 Y211 V212 V366 F417F129-L208 HydrophobicContact CE1-CB 4.32Å; F129-L208 HydrophobicContact CE1-CD1 4.25Å; F129-L208 HydrophobicContact CE2-CD1 4.42Å; F129-L208 HydrophobicContact CZ-CD1 4.03Å; L181-L208 HydrophobicContact CD1-CD1 4.41Å; L181-L208 HydrophobicContact CD2-CD1 4.48Å; L185-L208 HydrophobicContact CD1-CD1 4.27Å; L193-L208 HydrophobicContact CD1-CD2 4.12Å; P205-L208 HydrophobicContact CB-CB 4.43Å; P205-L208 HydrophobicContact CG-CB 3.85Å; P205-L208 HydrophobicContact CG-CD2 4.21Å; P205-L208 PolarHBondContact O-N 3.01Å; P205-L208 VanDerWaalsContact O-N 3.11Å; P206-L208 VanDerWaalsContact C-N 3.29Å; P206-L208 PolarHBondContact O-N 3.13Å; L208-Y211 PolarHBondContact O-N 3.21Å; L208-V212 HydrophobicContact CD1-CG2 3.84Å; L208-V212 HydrophobicContact CG-CG2 4.15Å; L208-V212 VanDerWaalsContact O-CB 3.31Å; L208-V212 WeakPolarHBondContact O-CB 3.38Å; L208-V212 WeakPolarHBondContact O-CG2 3.4Å; L208-V212 PolarHBondContact O-N 3.18Å; L208-V366 HydrophobicContact CD2-CG1 3.9Å; L208-F417 HydrophobicContact CB-CE1 4.28Å; L208-F417 HydrophobicContact CB-CZ 4.46Å; L208-F417 HydrophobicContact CD2-CZ 4.01Å
209Y96.3Very high95.7Very high23 Ų2323.1 Ų23.19%0.0914%0.144CC..Hα-helixtrans-56.4-54.3174.3165.9-91.1000110.8F204 P205 P206 Y211 V212 T213 L220 Y246 L249F204-Y209 HydrophobicContact CE1-CG 4.48Å; F204-Y209 AromaticContact CZ-CD2 3.9Å; F204-Y209 HydrophobicContact CZ-CD2 3.9Å; F204-Y209 HydrophobicContact CZ-CG 4.01Å; P205-Y209 PolarHBondContact O-N 2.57Å; P206-Y209 VanDerWaalsContact O-CB 3.32Å; P206-Y209 WeakPolarHBondContact O-CB 3.27Å; P206-Y209 PolarHBondContact O-N 3.32Å; P206-Y209 VanDerWaalsContact O-N 3.12Å; Y209-Y211 VanDerWaalsContact C-N 3.32Å; Y209-Y211 PolarHBondContact O-N 2.97Å; Y209-V212 PolarHBondContact O-N 2.77Å; Y209-T213 HydrophobicContact CD2-CG2 4.17Å; Y209-T213 HydrophobicContact CE2-CG2 3.92Å; Y209-T213 PolarHBondContact O-N 2.73Å; Y209-T213 PolarHBondContact O-OG1 2.73Å; Y209-T213 VanDerWaalsContact O-OG1 3.12Å; Y209-L220 HydrophobicContact CD2-CD2 3.65Å; Y209-L220 HydrophobicContact CE2-CD2 4.48Å; Y209-L220 HydrophobicContact CG-CD2 4.43Å; Y209-Y246 AromaticContact CD1-CD1 3.68Å; Y209-Y246 HydrophobicContact CD1-CD1 3.68Å; Y209-Y246 HydrophobicContact CD1-CE1 4Å; Y209-Y246 HydrophobicContact CD2-CD1 4.1Å; Y209-Y246 AromaticContact CE1-CD1 3.58Å; Y209-Y246 HydrophobicContact CE1-CD1 3.58Å; Y209-Y246 HydrophobicContact CE1-CE1 4.25Å; Y209-Y246 HydrophobicContact CE2-CD1 4.04Å; Y209-Y246 HydrophobicContact CE2-CG 4.42Å; Y209-Y246 AromaticContact CG-CD1 3.97Å; Y209-Y246 HydrophobicContact CG-CD1 3.97Å; Y209-Y246 HydrophobicContact CG-CE1 4.36Å; Y209-Y246 AromaticContact CZ-CD1 3.78Å; Y209-L249 HydrophobicContact CD2-CD1 4.38Å; Y209-L249 HydrophobicContact CE2-CD1 4.45Å
210E95.3Very high95.7Very high95 Ų9523 Ų2344%0.44414%0.143SC..Hα-helixtrans-59.6-41.5-178.5-69.5171.8-175.100112.1P206 G214P206-E210 WeakPolarHBondContact O-CG 2.96Å; P206-E210 PolarHBondContact O-N 3.42Å; E210-G214 VanDerWaalsContact O-CA 3.23Å; E210-G214 WeakPolarHBondContact O-CA 3.01Å; E210-G214 PolarHBondContact O-N 3.18Å
211Y95.3Very high95.7Very high32 Ų3223 Ų2313%0.12514%0.143CC..Iπ-helixtrans-66.8-46.6177.6-178.9-109.9000112.6F129 R131 L185 A207 L208 Y209 E215 L216F129-Y211 HydrophobicContact CE1-CG 4.37Å; F129-Y211 HydrophobicContact CE2-CD1 4.21Å; F129-Y211 HydrophobicContact CE2-CE1 4.47Å; F129-Y211 AromaticContact CZ-CD1 3.52Å; F129-Y211 HydrophobicContact CZ-CD1 3.52Å; F129-Y211 HydrophobicContact CZ-CD2 4.48Å; F129-Y211 HydrophobicContact CZ-CE1 4.17Å; F129-Y211 AromaticContact CZ-CG 3.67Å; F129-Y211 HydrophobicContact CZ-CG 3.67Å; R131-Y211 HydrophobicContact CG-CE2 4.46Å; L185-Y211 HydrophobicContact CD1-CD1 4.11Å; L185-Y211 HydrophobicContact CD1-CE1 3.87Å; A207-Y211 WeakPolarHBondContact O-CB 3.12Å; A207-Y211 PolarHBondContact O-N 3.01Å; L208-Y211 PolarHBondContact O-N 3.21Å; Y209-Y211 VanDerWaalsContact C-N 3.32Å; Y209-Y211 PolarHBondContact O-N 2.97Å; Y211-E215 HydrophobicContact CD2-CB 3.82Å; Y211-E215 HydrophobicContact CD2-CG 4.25Å; Y211-E215 WeakPolarHBondContact CD2-OE2 3.49Å; Y211-E215 HydrophobicContact CE2-CB 4.03Å; Y211-E215 WeakPolarHBondContact CE2-OE2 3.46Å; Y211-E215 PolarHBondContact O-N 3.47Å; Y211-E215 VanDerWaalsContact O-N 3.07Å; Y211-L216 HydrophobicContact CD1-CD1 3.76Å; Y211-L216 HydrophobicContact CD1-CG 4.05Å; Y211-L216 HydrophobicContact CE1-CD1 3.36Å; Y211-L216 HydrophobicContact CE1-CD2 4.1Å; Y211-L216 HydrophobicContact CE1-CG 3.66Å; Y211-L216 HydrophobicContact CE2-CG 4.43Å; Y211-L216 PolarHBondContact O-N 3.45Å
212V95.5Very high95.8Very high0 Ų023 Ų230%014%0.143CC..Iπ-helixtrans-69.3-46.8-175.2172.70000111.3L185 V191 L208 Y209 G217 L218 L220L185-V212 HydrophobicContact CD1-CG2 4.47Å; L185-V212 HydrophobicContact CD2-CG2 3.85Å; V191-V212 HydrophobicContact CB-CG1 4.14Å; V191-V212 HydrophobicContact CG2-CG1 3.95Å; L208-V212 HydrophobicContact CD1-CG2 3.84Å; L208-V212 HydrophobicContact CG-CG2 4.15Å; L208-V212 VanDerWaalsContact O-CB 3.31Å; L208-V212 WeakPolarHBondContact O-CB 3.38Å; L208-V212 WeakPolarHBondContact O-CG2 3.4Å; L208-V212 PolarHBondContact O-N 3.18Å; Y209-V212 PolarHBondContact O-N 2.77Å; V212-G217 PolarHBondContact O-N 2.86Å; V212-L218 HydrophobicContact CG1-CB 3.8Å; V212-L218 HydrophobicContact CG1-CD1 4.21Å; V212-L218 HydrophobicContact CG1-CG 4.35Å; V212-L218 PolarHBondContact O-N 2.97Å; V212-L220 HydrophobicContact CG1-CB 4.31Å; V212-L220 HydrophobicContact CG1-CD1 4.12Å
213T95.2Very high95.8Very high24 Ų2422.9 Ų22.915%0.14714%0.143CC..Iπ-helixtrans-84.6-31-177.368.40000113Y209 L220 Q248Y209-T213 HydrophobicContact CD2-CG2 4.17Å; Y209-T213 HydrophobicContact CE2-CG2 3.92Å; Y209-T213 PolarHBondContact O-N 2.73Å; Y209-T213 PolarHBondContact O-OG1 2.73Å; Y209-T213 VanDerWaalsContact O-OG1 3.12Å; T213-L220 HydrophobicContact CG2-CB 3.78Å; T213-L220 HydrophobicContact CG2-CD2 4.35Å; T213-Q248 VanDerWaalsContact CB-OE1 3.27Å; T213-Q248 PolarHBondContact OG1-OE1 3.38Å
214G93.2Very high95.9Very high56 Ų5622.9 Ų22.958%0.57714%0.143SC*.Iπ-helixtrans-86.8-67.3-178.900000113.1E210E210-G214 VanDerWaalsContact O-CA 3.23Å; E210-G214 WeakPolarHBondContact O-CA 3.01Å; E210-G214 PolarHBondContact O-N 3.18Å
215E92.6Very high95.9Very high114 Ų11423 Ų2353%0.53314%0.144SC..Iπ-helixtrans-77.2-42.5-172.1-72.5177.6-138.300113.1R131 Y211R131-E215 IonicContact CZ-OE1 2.89Å; R131-E215 VanDerWaalsContact CZ-OE1 3.27Å; R131-E215 IonicContact CZ-OE2 2.74Å; R131-E215 IonicContact NH1-OE1 3.27Å; R131-E215 PolarHBondContact NH1-OE1 3.21Å; R131-E215 IonicContact NH1-OE2 3.49Å; R131-E215 PolarHBondContact NH1-OE2 3.04Å; R131-E215 IonicContact NH2-OE1 2.74Å; R131-E215 PolarHBondContact NH2-OE1 3.28Å; Y211-E215 HydrophobicContact CD2-CB 3.82Å; Y211-E215 HydrophobicContact CD2-CG 4.25Å; Y211-E215 WeakPolarHBondContact CD2-OE2 3.49Å; Y211-E215 HydrophobicContact CE2-CB 4.03Å; Y211-E215 WeakPolarHBondContact CE2-OE2 3.46Å; Y211-E215 PolarHBondContact O-N 3.47Å; Y211-E215 VanDerWaalsContact O-N 3.07Å
216L92.5Very high95.7Very high32 Ų3224.8 Ų24.817%0.16815%0.151CC..SBendtrans-85.9-19.7179.1-61.5-180000113.3L185 Y211 L218L185-L216 HydrophobicContact CB-CD1 4.02Å; L185-L216 HydrophobicContact CD1-CD1 4.15Å; Y211-L216 HydrophobicContact CD1-CD1 3.76Å; Y211-L216 HydrophobicContact CD1-CG 4.05Å; Y211-L216 HydrophobicContact CE1-CD1 3.36Å; Y211-L216 HydrophobicContact CE1-CD2 4.1Å; Y211-L216 HydrophobicContact CE1-CG 3.66Å; Y211-L216 HydrophobicContact CE2-CG 4.43Å; Y211-L216 PolarHBondContact O-N 3.45Å; L216-L218 HydrophobicContact CB-CD1 4.31Å; L216-L218 HydrophobicContact CB-CD2 4.42Å; L216-L218 HydrophobicContact CB-CG 3.78Å; L216-L218 HydrophobicContact CD1-CD1 4.02Å; L216-L218 HydrophobicContact CD1-CG 4.4Å; L216-L218 PolarHBondContact O-N 2.9Å
217G93Very high95.6Very high48 Ų4824.7 Ų24.750%0.49515%0.15SC..  trans56.929.1-175.300000113.3V212 R355V212-G217 PolarHBondContact O-N 2.86Å; G217-R355 PolarHBondContact O-NH2 3.02Å
218L93.8Very high95.2Very high9 Ų925.7 Ų25.75%0.04715%0.154CC..  trans-81.1149.7172.3-47179000109S188 V191 V212 L216 R355S188-L218 WeakPolarHBondContact O-CD2 3.42Å; V191-L218 HydrophobicContact CG2-CB 4.41Å; V191-L218 HydrophobicContact CG2-CD1 3.52Å; V212-L218 HydrophobicContact CG1-CB 3.8Å; V212-L218 HydrophobicContact CG1-CD1 4.21Å; V212-L218 HydrophobicContact CG1-CG 4.35Å; V212-L218 PolarHBondContact O-N 2.97Å; L216-L218 HydrophobicContact CB-CD1 4.31Å; L216-L218 HydrophobicContact CB-CD2 4.42Å; L216-L218 HydrophobicContact CB-CG 3.78Å; L216-L218 HydrophobicContact CD1-CD1 4.02Å; L216-L218 HydrophobicContact CD1-CG 4.4Å; L216-L218 PolarHBondContact O-N 2.9Å; L218-R355 VanDerWaalsContact CD2-NH1 3.27Å
219A95.6Very high94.9Very high27 Ų2726.6 Ų26.622%0.22316%0.159CC..EExtended strand (participates in β ladder)trans-74.5136.6168.100000109.7V191 I297V191-A219 PolarHBondContact N-O 3.46Å; A219-I297 HydrophobicContact CB-CB 4.32Å; A219-I297 HydrophobicContact CB-CD1 3.83Å; A219-I297 HydrophobicContact CB-CG1 3.95Å; A219-I297 HydrophobicContact CB-CG2 3.38Å
220L97.6Very high94.7Very high1 Ų125.8 Ų25.81%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-115.8127.5179.4-172.671.3000110.4V191 L193 Y209 V212 T213 L249 H250V191-L220 HydrophobicContact CB-CD1 3.68Å; V191-L220 HydrophobicContact CG1-CD1 3.58Å; V191-L220 WeakPolarHBondContact O-CA 3.28Å; L193-L220 HydrophobicContact CB-CD1 3.97Å; Y209-L220 HydrophobicContact CD2-CD2 3.65Å; Y209-L220 HydrophobicContact CE2-CD2 4.48Å; Y209-L220 HydrophobicContact CG-CD2 4.43Å; V212-L220 HydrophobicContact CG1-CB 4.31Å; V212-L220 HydrophobicContact CG1-CD1 4.12Å; T213-L220 HydrophobicContact CG2-CB 3.78Å; T213-L220 HydrophobicContact CG2-CD2 4.35Å; L220-L249 HydrophobicContact CB-CD1 4.17Å; L220-L249 HydrophobicContact CD2-CD1 3.64Å; L220-L249 HydrophobicContact CG-CD1 3.75Å; L220-H250 PolarHBondContact O-N 3.11Å
221V98.4Very high94.5Very high0 Ų024.7 Ų24.70%016%0.158CC..EExtended strand (participates in β ladder)trans-110.6120.6173-175.40000108.2I190 V191 L192 L193 H250 V252 L290 A293 I297I190-V221 HydrophobicContact CG2-CG2 3.79Å; V191-V221 PolarHBondContact O-N 3.19Å; L192-V221 CarbonylContact C-O 3.57Å; L192-V221 WeakPolarHBondContact CA-O 3.42Å; L192-V221 HydrophobicContact CD2-CB 3.59Å; L192-V221 HydrophobicContact CD2-CG1 4.12Å; L192-V221 HydrophobicContact CD2-CG2 3.95Å; L193-V221 PolarHBondContact N-O 2.84Å; V221-H250 CarbonylContact C-O 3.39Å; V221-H250 VanDerWaalsContact CA-O 3.27Å; V221-H250 WeakPolarHBondContact CA-O 3.37Å; V221-H250 HydrophobicContact CB-CB 4.41Å; V221-H250 HydrophobicContact CG1-CB 4.23Å; V221-H250 WeakPolarHBondContact CG1-O 3.44Å; V221-H250 HydrophobicContact CG2-CB 4.12Å; V221-V252 HydrophobicContact CG1-CB 4.21Å; V221-V252 HydrophobicContact CG1-CG2 3.59Å; V221-L290 HydrophobicContact CG1-CD1 4.06Å; V221-A293 HydrophobicContact CG1-CB 4.48Å; V221-A293 HydrophobicContact CG2-CB 4.49Å; V221-I297 HydrophobicContact CG2-CD1 3.71Å
222L98.6Very high94.4Very high0 Ų024.4 Ų24.40%016%0.16CC..EExtended strand (participates in β ladder)trans-83.1121169.6174.364000109.4L193 T195 F204 L224 F242 L249 H250 V251 V252L193-L222 WeakPolarHBondContact O-CA 3.43Å; L193-L222 WeakPolarHBondContact O-CD1 3.48Å; T195-L222 HydrophobicContact CG2-CD1 3.53Å; F204-L222 HydrophobicContact CD2-CD1 3.83Å; F204-L222 HydrophobicContact CE2-CD1 4.26Å; L222-L224 HydrophobicContact CD2-CD2 3.92Å; L222-L224 HydrophobicContact CD2-CG 4.38Å; L222-L224 HydrophobicContact CG-CD2 4.15Å; L222-L224 HydrophobicContact CG-CG 4.44Å; L222-F242 HydrophobicContact CD2-CB 3.83Å; L222-F242 HydrophobicContact CD2-CD1 3.59Å; L222-F242 HydrophobicContact CD2-CD2 3.64Å; L222-F242 HydrophobicContact CD2-CE1 4.04Å; L222-F242 HydrophobicContact CD2-CE2 4.1Å; L222-F242 HydrophobicContact CD2-CG 3.38Å; L222-F242 HydrophobicContact CD2-CZ 4.28Å; L222-L249 HydrophobicContact CB-CD1 3.79Å; L222-L249 HydrophobicContact CB-CD2 3.45Å; L222-L249 VanDerWaalsContact CB-CD2 3.45Å; L222-L249 HydrophobicContact CB-CG 3.59Å; L222-L249 HydrophobicContact CD2-CD2 3.57Å; L222-L249 HydrophobicContact CG-CD2 4.11Å; L222-H250 PolarHBondContact N-O 2.98Å; L222-V251 HydrophobicContact CD2-CG1 4.45Å; L222-V251 HydrophobicContact CD2-CG2 4.39Å; L222-V251 WeakPolarHBondContact O-CA 3.37Å; L222-V252 PolarHBondContact O-N 2.85Å
223V98.5Very high94.4Very high1 Ų124.7 Ų24.71%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-99110170.4-1730000109L192 L193 I194 T195 N225 V252 F254 L376L192-V223 HydrophobicContact CB-CG2 4.29Å; L193-V223 PolarHBondContact O-N 3.12Å; I194-V223 HydrophobicContact CB-CB 4.5Å; I194-V223 HydrophobicContact CG1-CB 4.1Å; I194-V223 HydrophobicContact CG1-CG2 4.26Å; I194-V223 HydrophobicContact CG2-CB 4.49Å; T195-V223 PolarHBondContact N-O 3.42Å; T195-V223 PolarHBondContact OG1-O 3.5Å; V223-N225 HydrophobicContact CG1-CB 4.37Å; V223-N225 PolarHBondContact O-N 2.78Å; V223-V252 WeakPolarHBondContact CA-O 3.46Å; V223-F254 HydrophobicContact CG1-CB 3.42Å; V223-F254 VanDerWaalsContact CG1-CB 3.42Å; V223-F254 HydrophobicContact CG1-CG 4.19Å; V223-L376 HydrophobicContact CB-CD1 4.31Å; V223-L376 HydrophobicContact CG1-CD1 3.69Å; V223-L376 HydrophobicContact CG2-CD1 4.28Å
224L98.3Very high94.4Very high0 Ų023.7 Ų23.70%016%0.156CC..EExtended strand (participates in β ladder)trans-79.694.6166.2-63.2-177.9000107.6T195 I197 P200 L222 V227 W238 K239 F242 V251 V252 L253 F254T195-L224 WeakPolarHBondContact OG1-CD2 3.48Å; I197-L224 HydrophobicContact CD1-CB 4.02Å; I197-L224 HydrophobicContact CD1-CD1 4.04Å; I197-L224 HydrophobicContact CD1-CD2 4.41Å; I197-L224 HydrophobicContact CD1-CG 4.39Å; P200-L224 HydrophobicContact CB-CD2 3.78Å; P200-L224 HydrophobicContact CG-CD2 4.47Å; L222-L224 HydrophobicContact CD2-CD2 3.92Å; L222-L224 HydrophobicContact CD2-CG 4.38Å; L222-L224 HydrophobicContact CG-CD2 4.15Å; L222-L224 HydrophobicContact CG-CG 4.44Å; L224-V227 VanDerWaalsContact O-CG1 3.23Å; L224-V227 WeakPolarHBondContact O-CG1 3.48Å; L224-W238 HydrophobicContact CD1-CB 4.4Å; L224-K239 HydrophobicContact CD1-CB 4.27Å; L224-F242 HydrophobicContact CD2-CD2 4.37Å; L224-F242 HydrophobicContact CD2-CE2 4.32Å; L224-V251 HydrophobicContact CD1-CG1 3.81Å; L224-V251 HydrophobicContact CG-CG1 4Å; L224-V252 PolarHBondContact N-O 2.83Å; L224-L253 HydrophobicContact CB-CD2 3.93Å; L224-L253 HydrophobicContact CD1-CD2 3.74Å; L224-L253 HydrophobicContact CG-CD2 4.32Å; L224-F254 PolarHBondContact O-N 3.21Å
225N97.4Very high94.6Very high3 Ų321 Ų212%0.01613%0.129CC..EExtended strand (participates in β ladder)trans-91.2161.1-173.5-164.522000112.3I194 T195 I197 V223 V227 F254 V371 G372I194-N225 HydrophobicContact CG2-CB 3.94Å; T195-N225 WeakPolarHBondContact O-CA 3.37Å; T195-N225 WeakPolarHBondContact O-CB 3.28Å; T195-N225 PolarHBondContact O-N 3.03Å; I197-N225 WeakPolarHBondContact CB-O 3.49Å; I197-N225 WeakPolarHBondContact CG2-O 3.38Å; I197-N225 PolarHBondContact N-O 3.02Å; V223-N225 HydrophobicContact CG1-CB 4.37Å; V223-N225 PolarHBondContact O-N 2.78Å; N225-V227 VanDerWaalsContact C-N 3.3Å; N225-V227 PolarHBondContact O-N 3.38Å; N225-F254 CarbonylContact C-O 3.53Å; N225-F254 WeakPolarHBondContact CA-O 3.29Å; N225-F254 WeakPolarHBondContact OD1-CD1 3.4Å; N225-F254 PolarHBondContact OD1-O 3.31Å; N225-V371 PolarHBondContact ND2-O 2.93Å; N225-G372 WeakPolarHBondContact ND2-CA 3.5Å; N225-G372 PolarHBondContact ND2-O 3.39Å
226K94Very high94.8Very high40 Ų4015.7 Ų15.717%0.17410%0.104CC..  trans5938.2-179-46.8-174-165.9163.30113D196 I197 D228 L229 F254 N370D196-K226 WeakPolarHBondContact OD2-CD 3.21Å; D196-K226 WeakPolarHBondContact OD2-CE 3.44Å; D196-K226 IonicContact OD2-NZ 2.62Å; D196-K226 PolarHBondContact OD2-NZ 2.97Å; I197-K226 WeakPolarHBondContact CG2-O 3.15Å; K226-D228 VanDerWaalsContact C-OD1 3.29Å; K226-D228 WeakPolarHBondContact CA-OD1 3.4Å; K226-D228 PolarHBondContact O-N 3.18Å; K226-L229 HydrophobicContact CB-CD1 3.88Å; K226-L229 HydrophobicContact CB-CG 4.07Å; K226-L229 HydrophobicContact CD-CD1 3.76Å; K226-L229 HydrophobicContact CG-CD1 4.49Å; K226-L229 WeakPolarHBondContact O-CB 3.47Å; K226-L229 PolarHBondContact O-N 3.35Å; K226-F254 PolarHBondContact N-O 3.22Å; K226-N370 WeakPolarHBondContact CE-O 3.46Å; K226-N370 PolarHBondContact NZ-O 2.66Å
227V93.6Very high95.1Very high0 Ų014.2 Ų14.20%010%0.096CC..G310 helixtrans-55-20.7-178.7-63.40000113.7I197 L224 N225 L229 A230 V235 L253 F254 T255 L285 Q543I197-V227 HydrophobicContact CG1-CG1 4.4Å; L224-V227 VanDerWaalsContact O-CG1 3.23Å; L224-V227 WeakPolarHBondContact O-CG1 3.48Å; N225-V227 VanDerWaalsContact C-N 3.3Å; N225-V227 PolarHBondContact O-N 3.38Å; V227-L229 PolarHBondContact O-N 2.84Å; V227-A230 PolarHBondContact O-N 3.46Å; V227-V235 HydrophobicContact CB-CG1 4.36Å; V227-V235 HydrophobicContact CB-CG2 4.39Å; V227-V235 HydrophobicContact CG1-CG1 3.97Å; V227-L253 HydrophobicContact CG1-CB 4.16Å; V227-L253 HydrophobicContact CG1-CD2 4.43Å; V227-F254 PolarHBondContact N-O 2.97Å; V227-T255 HydrophobicContact CG2-CG2 3.84Å; V227-L285 HydrophobicContact CG2-CD2 4.48Å; V227-Q543 PolarHBondContact O-NE2 2.75Å
228D87.6Confident95.4Very high34 Ų3411.9 Ų11.918%0.1827%0.073CC..G310 helixtrans-66-15.1173.261.6-75.5000114.7K226 T255 R259K226-D228 VanDerWaalsContact C-OD1 3.29Å; K226-D228 WeakPolarHBondContact CA-OD1 3.4Å; K226-D228 PolarHBondContact O-N 3.18Å; D228-T255 VanDerWaalsContact OD1-CB 3.3Å; D228-T255 WeakPolarHBondContact OD1-CB 3.45Å; D228-T255 PolarHBondContact OD1-OG1 3.43Å; D228-R259 HydrophobicContact CB-CG 4.21Å; D228-R259 IonicContact OD2-NE 2.97Å
229L90.3Very high95.5Very high20 Ų2014.1 Ų14.111%0.1058%0.082CC..G310 helixtrans-91.7-6.4179.7-58.3-174.8000114R198 K226 V227 S515R198-L229 HydrophobicContact CG-CB 4.07Å; K226-L229 HydrophobicContact CB-CD1 3.88Å; K226-L229 HydrophobicContact CB-CG 4.07Å; K226-L229 HydrophobicContact CD-CD1 3.76Å; K226-L229 HydrophobicContact CG-CD1 4.49Å; K226-L229 WeakPolarHBondContact O-CB 3.47Å; K226-L229 PolarHBondContact O-N 3.35Å; V227-L229 PolarHBondContact O-N 2.84Å; L229-S515 PolarHBondContact O-OG 2.89Å
230A92.4Very high95.6Very high5 Ų515.6 Ų15.64%0.0418%0.084CC..SBendtrans-125.1146.9-177.500000111.9I197 V227 L234 V235I197-A230 HydrophobicContact CB-CB 4.43Å; I197-A230 HydrophobicContact CG1-CB 3.82Å; I197-A230 HydrophobicContact CG2-CB 3.72Å; V227-A230 PolarHBondContact O-N 3.46Å; A230-L234 HydrophobicContact CB-CD2 4.39Å; A230-V235 HydrophobicContact CB-CG2 4.03Å
231P91.9Very high95.6Very high72 Ų7216.4 Ų16.447%0.4689%0.087SC..  trans-59141174.4-23.934000112.3A233 L234 V235P231-A233 VanDerWaalsContact C-N 3.32Å; P231-A233 PolarHBondContact O-N 3.19Å; P231-L234 HydrophobicContact CB-CB 4.44Å; P231-L234 WeakPolarHBondContact O-CA 3.27Å; P231-L234 WeakPolarHBondContact O-CB 3.47Å; P231-L234 PolarHBondContact O-N 2.82Å; P231-V235 PolarHBondContact O-N 2.82Å; P231-V235 VanDerWaalsContact O-N 3.1Å
232P92.9Very high95.6Very high26 Ų2616.4 Ų16.417%0.1699%0.087CC..Hα-helixtrans-50.1-44.4-179.1-33.836.6000116L234 V235 V236 T536 L539 V540 Q543P232-L234 PolarHBondContact O-N 2.92Å; P232-V235 WeakPolarHBondContact O-CB 3.18Å; P232-V235 PolarHBondContact O-N 3.25Å; P232-V235 VanDerWaalsContact O-N 3.13Å; P232-V236 WeakPolarHBondContact O-CG2 3.36Å; P232-V236 PolarHBondContact O-N 2.72Å; P232-T536 HydrophobicContact CB-CG2 3.82Å; P232-L539 HydrophobicContact CB-CB 4.34Å; P232-L539 HydrophobicContact CB-CD2 3.8Å; P232-L539 HydrophobicContact CG-CD2 4.37Å; P232-V540 HydrophobicContact CB-CG2 3.89Å; P232-V540 HydrophobicContact CG-CG2 3.7Å; P232-Q543 VanDerWaalsContact CG-OE1 3.25Å
233A94.9Very high95.5Very high7 Ų722 Ų226%0.05811%0.113CC..Hα-helixtrans-60.9-36.2179.200000112P231 A237 W530 E531 T536P231-A233 VanDerWaalsContact C-N 3.32Å; P231-A233 PolarHBondContact O-N 3.19Å; A233-A237 WeakPolarHBondContact O-CB 3.45Å; A233-A237 PolarHBondContact O-N 3.49Å; A233-W530 HydrophobicContact CB-CB 4.08Å; A233-E531 HydrophobicContact CB-CG 3.91Å; A233-T536 HydrophobicContact CB-CG2 4.06Å
234L96.2Very high95.4Very high2 Ų229.2 Ų29.21%0.0115%0.147CC..Hα-helixtrans-71.1-39.2176.4179.558.6000111.6A230 P231 P232 V236 A237 W238 C517 H519 Y523A230-L234 HydrophobicContact CB-CD2 4.39Å; P231-L234 HydrophobicContact CB-CB 4.44Å; P231-L234 WeakPolarHBondContact O-CA 3.27Å; P231-L234 WeakPolarHBondContact O-CB 3.47Å; P231-L234 PolarHBondContact O-N 2.82Å; P232-L234 PolarHBondContact O-N 2.92Å; L234-V236 VanDerWaalsContact C-N 3.32Å; L234-V236 PolarHBondContact O-N 2.82Å; L234-A237 PolarHBondContact O-N 3.29Å; L234-W238 PolarHBondContact O-N 3.09Å; L234-C517 HydrophobicContact CD2-CB 3.61Å; L234-H519 HydrophobicContact CD1-CB 4.22Å; L234-Y523 HydrophobicContact CB-CE2 4.43Å; L234-Y523 HydrophobicContact CD1-CD2 4.29Å; L234-Y523 HydrophobicContact CD1-CE1 4.3Å; L234-Y523 HydrophobicContact CD1-CE2 4.09Å; L234-Y523 HydrophobicContact CD1-CG 4.49Å
235V96.5Very high95.3Very high0 Ų033.1 Ų33.10%017%0.165CC..Hα-helixtrans-59-46.4175.4-177.60000110.8I197 V227 A230 P231 P232 W238 K239 L253 L539I197-V235 HydrophobicContact CD1-CB 4.34Å; I197-V235 HydrophobicContact CD1-CG1 4.07Å; I197-V235 HydrophobicContact CD1-CG2 4.29Å; I197-V235 HydrophobicContact CG1-CG1 4.45Å; I197-V235 HydrophobicContact CG1-CG2 3.92Å; V227-V235 HydrophobicContact CB-CG1 4.36Å; V227-V235 HydrophobicContact CB-CG2 4.39Å; V227-V235 HydrophobicContact CG1-CG1 3.97Å; A230-V235 HydrophobicContact CB-CG2 4.03Å; P231-V235 PolarHBondContact O-N 2.82Å; P231-V235 VanDerWaalsContact O-N 3.1Å; P232-V235 WeakPolarHBondContact O-CB 3.18Å; P232-V235 PolarHBondContact O-N 3.25Å; P232-V235 VanDerWaalsContact O-N 3.13Å; V235-W238 PolarHBondContact O-N 3Å; V235-K239 PolarHBondContact O-N 2.85Å; V235-L253 HydrophobicContact CG1-CD1 3.99Å; V235-L253 HydrophobicContact CG1-CD2 3.81Å; V235-L253 HydrophobicContact CG1-CG 4.5Å; V235-L539 HydrophobicContact CB-CD2 3.63Å; V235-L539 HydrophobicContact CG1-CD2 3.82Å; V235-L539 HydrophobicContact CG2-CD2 3.89Å
236V97.4Very high95.2Very high2 Ų234.2 Ų34.21%0.01217%0.169CC..Hα-helixtrans-63.4-46.5177.1174.60000110.7P232 L234 W238 K239 H240 W530 E535P232-V236 WeakPolarHBondContact O-CG2 3.36Å; P232-V236 PolarHBondContact O-N 2.72Å; L234-V236 VanDerWaalsContact C-N 3.32Å; L234-V236 PolarHBondContact O-N 2.82Å; V236-W238 VanDerWaalsContact C-N 3.33Å; V236-W238 PolarHBondContact O-N 2.83Å; V236-K239 WeakPolarHBondContact O-CB 3.33Å; V236-K239 PolarHBondContact O-N 3.45Å; V236-K239 VanDerWaalsContact O-N 3.16Å; V236-H240 PolarHBondContact O-CD2 3.43Å; V236-H240 VanDerWaalsContact O-CD2 3.27Å; V236-H240 PolarHBondContact O-N 2.89Å; V236-W530 HydrophobicContact CG1-CE3 3.88Å; V236-W530 HydrophobicContact CG1-CZ3 3.98Å; V236-E535 HydrophobicContact CG1-CB 4.1Å; V236-E535 HydrophobicContact CG2-CB 3.95Å
237A98.1Very high95.1Very high1 Ų137 Ų371%0.00819%0.191CC..Hα-helixtrans-57-45177.600000112.4A233 L234 H240 Y241 P520 Y523 W530A233-A237 WeakPolarHBondContact O-CB 3.45Å; A233-A237 PolarHBondContact O-N 3.49Å; L234-A237 PolarHBondContact O-N 3.29Å; A237-H240 PolarHBondContact O-N 2.81Å; A237-Y241 WeakPolarHBondContact O-CB 3.3Å; A237-Y241 PolarHBondContact O-N 2.97Å; A237-P520 HydrophobicContact CB-CG 3.93Å; A237-Y523 HydrophobicContact CB-CD2 3.58Å; A237-Y523 HydrophobicContact CB-CE2 3.75Å; A237-W530 HydrophobicContact CB-CD2 3.76Å; A237-W530 HydrophobicContact CB-CE3 4.24Å; A237-W530 HydrophobicContact CB-CG 3.95Å; A237-W530 HydrophobicContact CB-CZ2 4.38Å
238W98.3Very high95.1Very high0 Ų042.5 Ų42.50%022%0.217CC..Hα-helixtrans-64-43.3175.3-81.8126.5000112.8I197 P200 V201 L224 L234 V235 V236 H240 Y241 F242 F518 H519 P520I197-W238 HydrophobicContact CD1-CB 4.29Å; P200-W238 HydrophobicContact CG-CB 4.26Å; P200-W238 HydrophobicContact CG-CD2 3.36Å; P200-W238 HydrophobicContact CG-CE3 3.71Å; P200-W238 HydrophobicContact CG-CG 3.63Å; P200-W238 HydrophobicContact CG-CH2 4.41Å; P200-W238 HydrophobicContact CG-CZ2 4.08Å; P200-W238 HydrophobicContact CG-CZ3 4.24Å; V201-W238 HydrophobicContact CB-CH2 4.38Å; V201-W238 HydrophobicContact CG1-CE3 4.35Å; V201-W238 HydrophobicContact CG1-CH2 3.62Å; V201-W238 HydrophobicContact CG1-CZ3 3.38Å; V201-W238 HydrophobicContact CG2-CH2 3.88Å; L224-W238 HydrophobicContact CD1-CB 4.4Å; L234-W238 PolarHBondContact O-N 3.09Å; V235-W238 PolarHBondContact O-N 3Å; V236-W238 VanDerWaalsContact C-N 3.33Å; V236-W238 PolarHBondContact O-N 2.83Å; W238-H240 VanDerWaalsContact C-N 3.31Å; W238-H240 PolarHBondContact O-N 2.85Å; W238-Y241 AromaticContact CE3-CD1 3.9Å; W238-Y241 HydrophobicContact CE3-CD1 3.9Å; W238-Y241 HydrophobicContact CE3-CG 4.14Å; W238-Y241 AromaticContact CZ3-CD1 3.85Å; W238-Y241 HydrophobicContact CZ3-CD1 3.85Å; W238-Y241 HydrophobicContact CZ3-CE1 4.11Å; W238-Y241 HydrophobicContact CZ3-CG 4.16Å; W238-Y241 WeakPolarHBondContact O-CB 3.07Å; W238-Y241 PolarHBondContact O-N 3.3Å; W238-F242 HydrophobicContact CE3-CE2 4.08Å; W238-F242 VanDerWaalsContact O-CD2 3.29Å; W238-F242 WeakPolarHBondContact O-CD2 3.39Å; W238-F242 PolarHBondContact O-N 2.93Å; W238-F518 WeakPolarHBondContact CZ2-O 3.33Å; W238-F518 PolarHBondContact NE1-O 3.46Å; W238-H519 VanDerWaalsContact CH2-C 3.48Å; W238-H519 WeakPolarHBondContact CH2-O 3.38Å; W238-H519 WeakPolarHBondContact CZ2-O 3.49Å; W238-P520 HydrophobicContact CD2-CB 4.27Å; W238-P520 HydrophobicContact CD2-CG 4.17Å; W238-P520 HydrophobicContact CE3-CB 3.77Å; W238-P520 HydrophobicContact CE3-CG 4.15Å; W238-P520 VanDerWaalsContact CH2-CA 3.48Å; W238-P520 HydrophobicContact CH2-CB 3.99Å; W238-P520 HydrophobicContact CZ2-CB 4.48Å; W238-P520 VanDerWaalsContact CZ2-N 3.28Å; W238-P520 HydrophobicContact CZ3-CB 3.59Å; W238-P520 HydrophobicContact CZ3-CG 4.37Å
239K97.6Very high95.4Very high56 Ų5641.2 Ų41.224%0.24321%0.21CC..Hα-helixtrans-55.3-47.7175.3178.8-169.4169.6-160.70111.1L224 V235 V236 F242 H243 V251 E535L224-K239 HydrophobicContact CD1-CB 4.27Å; V235-K239 PolarHBondContact O-N 2.85Å; V236-K239 WeakPolarHBondContact O-CB 3.33Å; V236-K239 PolarHBondContact O-N 3.45Å; V236-K239 VanDerWaalsContact O-N 3.16Å; K239-F242 PolarHBondContact O-N 3.1Å; K239-H243 WeakPolarHBondContact O-CB 3.41Å; K239-H243 PolarHBondContact O-N 3.36Å; K239-V251 HydrophobicContact CB-CG1 4.47Å; K239-V251 HydrophobicContact CG-CB 4.42Å; K239-V251 HydrophobicContact CG-CG1 4.01Å; K239-E535 WeakPolarHBondContact CD-OE2 3.17Å; K239-E535 IonicContact NZ-OE1 2.95Å; K239-E535 PolarHBondContact NZ-OE1 3.31Å; K239-E535 IonicContact NZ-OE2 3.73Å; K239-E535 PolarHBondContact NZ-OE2 3.17Å
240H97.3Very high95.7Very high57 Ų5743.6 Ų43.626%0.26422%0.22SC..Hα-helixtrans-66.1-41.1178.5-83.1-98.2000112.6V236 A237 W238 F242 H243 Q244 W530 H533 E535V236-H240 PolarHBondContact O-CD2 3.43Å; V236-H240 VanDerWaalsContact O-CD2 3.27Å; V236-H240 PolarHBondContact O-N 2.89Å; A237-H240 PolarHBondContact O-N 2.81Å; W238-H240 VanDerWaalsContact C-N 3.31Å; W238-H240 PolarHBondContact O-N 2.85Å; H240-F242 PolarHBondContact O-N 3.34Å; H240-H243 PolarHBondContact O-N 2.91Å; H240-Q244 WeakPolarHBondContact O-CB 3.41Å; H240-Q244 PolarHBondContact O-N 2.89Å; H240-W530 HydrophobicContact CB-CH2 3.57Å; H240-W530 HydrophobicContact CB-CZ3 3.98Å; H240-W530 AromaticContact CD2-CZ3 3.69Å; H240-W530 AromaticContact CG-CH2 3.73Å; H240-W530 AromaticContact CG-CZ3 3.73Å; H240-H533 AromaticContact CE1-CE1 3.93Å; H240-H533 AromaticContact CE1-NE2 3.92Å; H240-H533 AromaticContact NE2-CE1 3.43Å; H240-H533 PolarHBondContact NE2-CE1 2.67Å; H240-H533 AromaticContact NE2-NE2 3.8Å; H240-E535 IonicContact NE2-OE1 2.65Å; H240-E535 IonicContact NE2-OE2 3.72Å
241Y98.1Very high96Very high19 Ų1944.7 Ų44.78%0.07523%0.226CC..Hα-helixtrans-54.2-51.8174.7173.5-90.8000111.5I117 V201 A237 W238 H243 Q244 H245 P520I117-Y241 VanDerWaalsContact CG2-OH 3.27Å; I117-Y241 WeakPolarHBondContact CG2-OH 3.5Å; V201-Y241 HydrophobicContact CG1-CE1 3.87Å; A237-Y241 WeakPolarHBondContact O-CB 3.3Å; A237-Y241 PolarHBondContact O-N 2.97Å; W238-Y241 AromaticContact CE3-CD1 3.9Å; W238-Y241 HydrophobicContact CE3-CD1 3.9Å; W238-Y241 HydrophobicContact CE3-CG 4.14Å; W238-Y241 AromaticContact CZ3-CD1 3.85Å; W238-Y241 HydrophobicContact CZ3-CD1 3.85Å; W238-Y241 HydrophobicContact CZ3-CE1 4.11Å; W238-Y241 HydrophobicContact CZ3-CG 4.16Å; W238-Y241 WeakPolarHBondContact O-CB 3.07Å; W238-Y241 PolarHBondContact O-N 3.3Å; Y241-H243 PolarHBondContact O-N 3.48Å; Y241-Q244 PolarHBondContact O-N 3.09Å; Y241-H245 AromaticContact CD2-CD2 3.56Å; Y241-H245 AromaticContact CD2-NE2 3.84Å; Y241-H245 AromaticContact CE2-CD2 3.43Å; Y241-H245 VanDerWaalsContact CE2-CD2 3.43Å; Y241-H245 WeakPolarHBondContact CE2-CD2 3.24Å; Y241-H245 AromaticContact CE2-NE2 3.53Å; Y241-H245 AromaticContact CZ-CD2 3.82Å; Y241-H245 PolarHBondContact O-CD2 3.47Å; Y241-H245 VanDerWaalsContact O-CD2 3.24Å; Y241-H245 PolarHBondContact O-N 2.81Å; Y241-P520 HydrophobicContact CD2-CB 3.86Å; Y241-P520 HydrophobicContact CG-CB 4.05Å
242F98.2Very high96.2Very high0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-66.5-38.5179.6-80-76000112.7P200 V201 F204 L222 L224 W238 K239 H240 Q244 H245 Y246 L249 V251P200-F242 HydrophobicContact CB-CE2 3.69Å; P200-F242 HydrophobicContact CB-CZ 4.05Å; P200-F242 HydrophobicContact CG-CE2 3.84Å; P200-F242 HydrophobicContact CG-CZ 4.46Å; V201-F242 HydrophobicContact CG1-CZ 4.1Å; F204-F242 HydrophobicContact CB-CE1 3.96Å; F204-F242 HydrophobicContact CB-CZ 4.1Å; F204-F242 AromaticContact CD1-CE1 3.77Å; F204-F242 HydrophobicContact CD1-CE1 3.77Å; F204-F242 HydrophobicContact CD2-CD1 4.38Å; F204-F242 AromaticContact CD2-CE1 3.8Å; F204-F242 HydrophobicContact CD2-CE1 3.8Å; F204-F242 HydrophobicContact CE1-CE1 4.17Å; F204-F242 HydrophobicContact CE2-CD1 4.37Å; F204-F242 HydrophobicContact CE2-CE1 4.19Å; F204-F242 HydrophobicContact CG-CD1 4.48Å; F204-F242 AromaticContact CG-CE1 3.56Å; F204-F242 HydrophobicContact CG-CE1 3.56Å; F204-F242 HydrophobicContact CG-CZ 4.21Å; F204-F242 HydrophobicContact CZ-CD1 4.45Å; F204-F242 HydrophobicContact CZ-CE1 4.35Å; L222-F242 HydrophobicContact CD2-CB 3.83Å; L222-F242 HydrophobicContact CD2-CD1 3.59Å; L222-F242 HydrophobicContact CD2-CD2 3.64Å; L222-F242 HydrophobicContact CD2-CE1 4.04Å; L222-F242 HydrophobicContact CD2-CE2 4.1Å; L222-F242 HydrophobicContact CD2-CG 3.38Å; L222-F242 HydrophobicContact CD2-CZ 4.28Å; L224-F242 HydrophobicContact CD2-CD2 4.37Å; L224-F242 HydrophobicContact CD2-CE2 4.32Å; W238-F242 HydrophobicContact CE3-CE2 4.08Å; W238-F242 VanDerWaalsContact O-CD2 3.29Å; W238-F242 WeakPolarHBondContact O-CD2 3.39Å; W238-F242 PolarHBondContact O-N 2.93Å; K239-F242 PolarHBondContact O-N 3.1Å; H240-F242 PolarHBondContact O-N 3.34Å; F242-Q244 VanDerWaalsContact C-N 3.32Å; F242-Q244 PolarHBondContact O-N 3.49Å; F242-H245 PolarHBondContact O-N 3.26Å; F242-Y246 AromaticContact CD1-CD2 3.74Å; F242-Y246 HydrophobicContact CD1-CD2 3.74Å; F242-Y246 HydrophobicContact CD1-CE2 4.05Å; F242-Y246 HydrophobicContact CE1-CD2 4.38Å; F242-Y246 HydrophobicContact CE1-CE2 4.26Å; F242-Y246 WeakPolarHBondContact O-CA 3.48Å; F242-Y246 WeakPolarHBondContact O-CB 3.36Å; F242-Y246 PolarHBondContact O-N 3Å; F242-L249 HydrophobicContact CB-CD2 4.17Å; F242-L249 HydrophobicContact CD1-CD2 4.17Å; F242-L249 HydrophobicContact CG-CD2 4.5Å; F242-V251 HydrophobicContact CB-CG2 4.19Å
243H95.7Very high96.4Very high117 Ų11740.6 Ų40.654%0.54220%0.199SC..Hα-helixtrans-62.4-39.9176.9-171.966.9000112.4K239 H240 Y241K239-H243 WeakPolarHBondContact O-CB 3.41Å; K239-H243 PolarHBondContact O-N 3.36Å; H240-H243 PolarHBondContact O-N 2.91Å; Y241-H243 PolarHBondContact O-N 3.48Å
244Q96.1Very high96.5Very high152 Ų15240.2 Ų40.271%0.7120%0.196SC*.Hα-helixtrans-70.4-43.5178.9179.6178.8-21.800112.5H240 Y241 F242H240-Q244 WeakPolarHBondContact O-CB 3.41Å; H240-Q244 PolarHBondContact O-N 2.89Å; Y241-Q244 PolarHBondContact O-N 3.09Å; F242-Q244 VanDerWaalsContact C-N 3.32Å; F242-Q244 PolarHBondContact O-N 3.49Å
245H96Very high96.3Very high83 Ų8340.4 Ų40.438%0.38420%0.198SC..Hα-helixtrans-84.8-25.8-175.3-75.2-76.8000113.7Y241 F242Y241-H245 AromaticContact CD2-CD2 3.56Å; Y241-H245 AromaticContact CD2-NE2 3.84Å; Y241-H245 AromaticContact CE2-CD2 3.43Å; Y241-H245 VanDerWaalsContact CE2-CD2 3.43Å; Y241-H245 WeakPolarHBondContact CE2-CD2 3.24Å; Y241-H245 AromaticContact CE2-NE2 3.53Å; Y241-H245 AromaticContact CZ-CD2 3.82Å; Y241-H245 PolarHBondContact O-CD2 3.47Å; Y241-H245 VanDerWaalsContact O-CD2 3.24Å; Y241-H245 PolarHBondContact O-N 2.81Å; F242-H245 PolarHBondContact O-N 3.26Å
246Y96.6Very high95.9Very high26 Ų2640.7 Ų40.710%0.10220%0.199CC..  trans-133.272-174.7-56.9-80.4000110.8F204 Y209 F242 Q248 L249F204-Y246 HydrophobicContact CD1-CE2 4.39Å; F204-Y246 HydrophobicContact CE1-CD1 4.11Å; F204-Y246 HydrophobicContact CE1-CD2 4.11Å; F204-Y246 AromaticContact CE1-CE1 3.76Å; F204-Y246 HydrophobicContact CE1-CE1 3.76Å; F204-Y246 AromaticContact CE1-CE2 3.75Å; F204-Y246 HydrophobicContact CE1-CE2 3.75Å; F204-Y246 HydrophobicContact CE1-CG 4.27Å; F204-Y246 AromaticContact CE1-CZ 3.57Å; F204-Y246 HydrophobicContact CZ-CD1 4.17Å; F204-Y246 HydrophobicContact CZ-CD2 4.23Å; F204-Y246 HydrophobicContact CZ-CE1 4.28Å; F204-Y246 HydrophobicContact CZ-CE2 4.34Å; F204-Y246 HydrophobicContact CZ-CG 4.14Å; Y209-Y246 AromaticContact CD1-CD1 3.68Å; Y209-Y246 HydrophobicContact CD1-CD1 3.68Å; Y209-Y246 HydrophobicContact CD1-CE1 4Å; Y209-Y246 HydrophobicContact CD2-CD1 4.1Å; Y209-Y246 AromaticContact CE1-CD1 3.58Å; Y209-Y246 HydrophobicContact CE1-CD1 3.58Å; Y209-Y246 HydrophobicContact CE1-CE1 4.25Å; Y209-Y246 HydrophobicContact CE2-CD1 4.04Å; Y209-Y246 HydrophobicContact CE2-CG 4.42Å; Y209-Y246 AromaticContact CG-CD1 3.97Å; Y209-Y246 HydrophobicContact CG-CD1 3.97Å; Y209-Y246 HydrophobicContact CG-CE1 4.36Å; Y209-Y246 AromaticContact CZ-CD1 3.78Å; F242-Y246 AromaticContact CD1-CD2 3.74Å; F242-Y246 HydrophobicContact CD1-CD2 3.74Å; F242-Y246 HydrophobicContact CD1-CE2 4.05Å; F242-Y246 HydrophobicContact CE1-CD2 4.38Å; F242-Y246 HydrophobicContact CE1-CE2 4.26Å; F242-Y246 WeakPolarHBondContact O-CA 3.48Å; F242-Y246 WeakPolarHBondContact O-CB 3.36Å; F242-Y246 PolarHBondContact O-N 3Å; Y246-Q248 PolarHBondContact O-N 3.42Å; Y246-Q248 VanDerWaalsContact O-N 3.11Å; Y246-L249 WeakPolarHBondContact O-CB 3.31Å; Y246-L249 PolarHBondContact O-N 3.13Å
247P92.2Very high95Very high98 Ų9843 Ų4364%0.63621%0.209SC*.THydrogen-bonded Turntrans-65.6-18.7-169.824.8-35.4000115.2L249P247-L249 PolarHBondContact O-N 3.31Å
248Q92.6Very high93.7Very high116 Ų11645 Ų4554%0.54222%0.222SC..THydrogen-bonded Turntrans-79.2-5.3174.7-58.5178.2-8.300113.1T213 Y246T213-Q248 VanDerWaalsContact CB-OE1 3.27Å; T213-Q248 PolarHBondContact OG1-OE1 3.38Å; Y246-Q248 PolarHBondContact O-N 3.42Å; Y246-Q248 VanDerWaalsContact O-N 3.11Å
249L94.6Very high92.1Very high7 Ų750.4 Ų50.44%0.03724%0.243CC..PPolyproline II helixtrans-87.3127.5-173.5-164.166.1000111.1F204 Y209 L220 L222 F242 Y246 P247 V251F204-L249 HydrophobicContact CE2-CD1 4.42Å; F204-L249 HydrophobicContact CE2-CD2 3.96Å; F204-L249 HydrophobicContact CZ-CD2 4.26Å; Y209-L249 HydrophobicContact CD2-CD1 4.38Å; Y209-L249 HydrophobicContact CE2-CD1 4.45Å; L220-L249 HydrophobicContact CB-CD1 4.17Å; L220-L249 HydrophobicContact CD2-CD1 3.64Å; L220-L249 HydrophobicContact CG-CD1 3.75Å; L222-L249 HydrophobicContact CB-CD1 3.79Å; L222-L249 HydrophobicContact CB-CD2 3.45Å; L222-L249 VanDerWaalsContact CB-CD2 3.45Å; L222-L249 HydrophobicContact CB-CG 3.59Å; L222-L249 HydrophobicContact CD2-CD2 3.57Å; L222-L249 HydrophobicContact CG-CD2 4.11Å; F242-L249 HydrophobicContact CB-CD2 4.17Å; F242-L249 HydrophobicContact CD1-CD2 4.17Å; F242-L249 HydrophobicContact CG-CD2 4.5Å; Y246-L249 WeakPolarHBondContact O-CB 3.31Å; Y246-L249 PolarHBondContact O-N 3.13Å; P247-L249 PolarHBondContact O-N 3.31Å; L249-V251 HydrophobicContact CD2-CG2 4.22Å; L249-V251 HydrophobicContact CG-CG2 4.33Å
250H96.7Very high90.3Very high69 Ų6950.4 Ų50.432%0.31925%0.245SC..EExtended strand (participates in β ladder)trans-83.9116.1165.5-65.8-93.2000108.7L220 V221 L222 A293L220-H250 PolarHBondContact O-N 3.11Å; V221-H250 CarbonylContact C-O 3.39Å; V221-H250 VanDerWaalsContact CA-O 3.27Å; V221-H250 WeakPolarHBondContact CA-O 3.37Å; V221-H250 HydrophobicContact CB-CB 4.41Å; V221-H250 HydrophobicContact CG1-CB 4.23Å; V221-H250 WeakPolarHBondContact CG1-O 3.44Å; V221-H250 HydrophobicContact CG2-CB 4.12Å; L222-H250 PolarHBondContact N-O 2.98Å; H250-A293 HydrophobicContact CB-CB 4.18Å
251V97.6Very high88.2Confident29 Ų2951.4 Ų51.418%0.17626%0.257CS..EExtended strand (participates in β ladder)trans-96.9122.5-179.5-173.40000110.2L222 L224 K239 F242 L249L222-V251 HydrophobicContact CD2-CG1 4.45Å; L222-V251 HydrophobicContact CD2-CG2 4.39Å; L222-V251 WeakPolarHBondContact O-CA 3.37Å; L224-V251 HydrophobicContact CD1-CG1 3.81Å; L224-V251 HydrophobicContact CG-CG1 4Å; K239-V251 HydrophobicContact CB-CG1 4.47Å; K239-V251 HydrophobicContact CG-CB 4.42Å; K239-V251 HydrophobicContact CG-CG1 4.01Å; F242-V251 HydrophobicContact CB-CG2 4.19Å; L249-V251 HydrophobicContact CD2-CG2 4.22Å; L249-V251 HydrophobicContact CG-CG2 4.33Å
252V97.4Very high85.7Confident3 Ų357.3 Ų57.32%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-116.9132.7178.7170.40000109.4V221 L222 V223 L224 Q289 L290 A293V221-V252 HydrophobicContact CG1-CB 4.21Å; V221-V252 HydrophobicContact CG1-CG2 3.59Å; L222-V252 PolarHBondContact O-N 2.85Å; V223-V252 WeakPolarHBondContact CA-O 3.46Å; L224-V252 PolarHBondContact N-O 2.83Å; V252-Q289 HydrophobicContact CG1-CB 3.95Å; V252-Q289 HydrophobicContact CG2-CB 4.42Å; V252-L290 HydrophobicContact CG1-CB 4.31Å; V252-L290 HydrophobicContact CG2-CD1 4.39Å; V252-A293 HydrophobicContact CG2-CB 4.12Å
253L96.7Very high83.4Confident8 Ų860.4 Ų60.44%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-91.3130172.7-55.2-174.5000109.3L224 V227 V235 G286 L539L224-L253 HydrophobicContact CB-CD2 3.93Å; L224-L253 HydrophobicContact CD1-CD2 3.74Å; L224-L253 HydrophobicContact CG-CD2 4.32Å; V227-L253 HydrophobicContact CG1-CB 4.16Å; V227-L253 HydrophobicContact CG1-CD2 4.43Å; V235-L253 HydrophobicContact CG1-CD1 3.99Å; V235-L253 HydrophobicContact CG1-CD2 3.81Å; V235-L253 HydrophobicContact CG1-CG 4.5Å; L253-G286 VanDerWaalsContact O-CA 3.23Å; L253-G286 WeakPolarHBondContact O-CA 3.25Å; L253-L539 HydrophobicContact CD1-CD1 3.39Å
254F95.9Very high80.7Confident0 Ų059.5 Ų59.50%030%0.302CS..EExtended strand (participates in β ladder)trans-137.1142.3-176.5-157.7-82.3000112.9V223 L224 N225 K226 V227 A284 L285 P287 L376 L380V223-F254 HydrophobicContact CG1-CB 3.42Å; V223-F254 VanDerWaalsContact CG1-CB 3.42Å; V223-F254 HydrophobicContact CG1-CG 4.19Å; L224-F254 PolarHBondContact O-N 3.21Å; N225-F254 CarbonylContact C-O 3.53Å; N225-F254 WeakPolarHBondContact CA-O 3.29Å; N225-F254 WeakPolarHBondContact OD1-CD1 3.4Å; N225-F254 PolarHBondContact OD1-O 3.31Å; K226-F254 PolarHBondContact N-O 3.22Å; V227-F254 PolarHBondContact N-O 2.97Å; F254-A284 HydrophobicContact CE1-CB 4.41Å; F254-A284 HydrophobicContact CZ-CB 4.14Å; F254-L285 VanDerWaalsContact CA-O 3.29Å; F254-L285 WeakPolarHBondContact CA-O 3.48Å; F254-L285 WeakPolarHBondContact CD2-O 3.49Å; F254-L285 WeakPolarHBondContact CG-O 3.46Å; F254-P287 HydrophobicContact CE2-CG 4.14Å; F254-P287 HydrophobicContact CZ-CG 4.49Å; F254-L376 HydrophobicContact CD1-CB 4.45Å; F254-L376 HydrophobicContact CD1-CD1 4.06Å; F254-L376 HydrophobicContact CD1-CG 4.21Å; F254-L376 HydrophobicContact CD2-CD1 4.19Å; F254-L376 HydrophobicContact CD2-CG 4.48Å; F254-L376 HydrophobicContact CE1-CB 4.12Å; F254-L376 HydrophobicContact CE1-CD1 4.3Å; F254-L376 HydrophobicContact CE1-CG 3.94Å; F254-L376 HydrophobicContact CE2-CD1 4.42Å; F254-L376 HydrophobicContact CE2-CG 4.23Å; F254-L376 HydrophobicContact CG-CD1 4.02Å; F254-L376 HydrophobicContact CG-CG 4.49Å; F254-L376 HydrophobicContact CZ-CD1 4.48Å; F254-L376 HydrophobicContact CZ-CG 3.95Å; F254-L380 HydrophobicContact CE2-CD2 3.77Å; F254-L380 HydrophobicContact CE2-CG 4.3Å; F254-L380 HydrophobicContact CZ-CD2 4.19Å; F254-L380 HydrophobicContact CZ-CG 4.31Å
255T92.7Very high78.4Confident6 Ų661.1 Ų61.14%0.03731%0.31CS..BIsolated β-bridgetrans-145.3127.2159175.60000109.5V227 D228 F257 P258 A284 L285V227-T255 HydrophobicContact CG2-CG2 3.84Å; D228-T255 VanDerWaalsContact OD1-CB 3.3Å; D228-T255 WeakPolarHBondContact OD1-CB 3.45Å; D228-T255 PolarHBondContact OD1-OG1 3.43Å; T255-F257 PolarHBondContact O-N 2.88Å; T255-F257 PolarHBondContact OG1-N 3.02Å; T255-F257 PolarHBondContact OG1-O 3.21Å; T255-P258 HydrophobicContact CG2-CB 4.4Å; T255-P258 HydrophobicContact CG2-CG 4.04Å; T255-A284 CarbonylContact O-C 3.59Å; T255-A284 VanDerWaalsContact O-CA 3.31Å; T255-A284 WeakPolarHBondContact O-CA 3.41Å; T255-L285 HydrophobicContact CG2-CB 3.73Å; T255-L285 PolarHBondContact N-O 3.1Å; T255-L285 PolarHBondContact O-N 3.35Å
256S89.3Confident76.1Confident5 Ų560.9 Ų60.94%0.03531%0.312CS..SBendtrans-71-21174.9-52.60000112.9S375 L376S256-S375 PolarHBondContact OG-O 3.22Å; S256-L376 PolarHBondContact OG-N 3.29Å
257F77.1Confident73.8Confident52 Ų5262.1 Ų62.123%0.22832%0.323CS..SBendtrans-142.284-174.7-59.1-73.8000109.5T255 R259 W281T255-F257 PolarHBondContact O-N 2.88Å; T255-F257 PolarHBondContact OG1-N 3.02Å; T255-F257 PolarHBondContact OG1-O 3.21Å; F257-R259 PolarHBondContact O-N 3.15Å; F257-W281 HydrophobicContact CD2-CZ3 4.41Å; F257-W281 AromaticContact CE1-CD2 3.92Å; F257-W281 HydrophobicContact CE1-CD2 3.92Å; F257-W281 AromaticContact CE1-CE2 3.99Å; F257-W281 AromaticContact CE1-CE3 3.97Å; F257-W281 HydrophobicContact CE1-CE3 3.97Å; F257-W281 HydrophobicContact CE1-CH2 4.28Å; F257-W281 HydrophobicContact CE1-CZ2 4.22Å; F257-W281 HydrophobicContact CE1-CZ3 4.11Å; F257-W281 HydrophobicContact CE2-CE3 4.17Å; F257-W281 AromaticContact CE2-CH2 3.5Å; F257-W281 HydrophobicContact CE2-CH2 3.5Å; F257-W281 HydrophobicContact CE2-CZ2 4.12Å; F257-W281 AromaticContact CE2-CZ3 3.49Å; F257-W281 HydrophobicContact CE2-CZ3 3.49Å; F257-W281 VanDerWaalsContact CE2-CZ3 3.49Å; F257-W281 AromaticContact CZ-CD2 3.81Å; F257-W281 HydrophobicContact CZ-CD2 3.81Å; F257-W281 AromaticContact CZ-CE2 3.61Å; F257-W281 AromaticContact CZ-CE3 3.66Å; F257-W281 HydrophobicContact CZ-CE3 3.66Å; F257-W281 AromaticContact CZ-CH2 3.22Å; F257-W281 HydrophobicContact CZ-CH2 3.22Å; F257-W281 AromaticContact CZ-CZ2 3.38Å; F257-W281 HydrophobicContact CZ-CZ2 3.38Å; F257-W281 AromaticContact CZ-CZ3 3.34Å; F257-W281 HydrophobicContact CZ-CZ3 3.34Å
258P72.1Confident71.7Confident43 Ų4359.3 Ų59.328%0.27931%0.306SS..  trans-54.6129.7170.6-19.229.3000109.8T255 R283T255-P258 HydrophobicContact CG2-CB 4.4Å; T255-P258 HydrophobicContact CG2-CG 4.04Å; P258-R283 WeakPolarHBondContact CD-O 3.44Å; P258-R283 WeakPolarHBondContact CG-O 3.46Å
259R64.9Low70Confident113 Ų11355.9 Ų55.943%0.42629%0.294SS..  trans-61.4146.3172.6-75.4-177-179.8-166.6-1.7109.5D228 F257 P261 G512D228-R259 HydrophobicContact CB-CG 4.21Å; D228-R259 IonicContact OD2-NE 2.97Å; F257-R259 PolarHBondContact O-N 3.15Å; R259-P261 VanDerWaalsContact O-CD 3.23Å; R259-P261 WeakPolarHBondContact O-CD 3.4Å; R259-G512 PolarHBondContact NH2-O 3.33Å
260D59.1Low68.3Low55 Ų5556 Ų5629%0.29430%0.296SS..  trans-70.2115169.7-167.1-29000108.9R262 T263D260-R262 PolarHBondContact O-N 3.27Å; D260-R262 VanDerWaalsContact OD1-CB 3.27Å; D260-R262 WeakPolarHBondContact OD1-CB 3.32Å; D260-R262 WeakPolarHBondContact OD1-CG 3.32Å; D260-R262 IonicContact OD1-CZ 2.58Å; D260-R262 PolarHBondContact OD1-N 3.07Å; D260-R262 IonicContact OD1-NE 3.96Å; D260-R262 PolarHBondContact OD1-NE 2.88Å; D260-R262 IonicContact OD1-NH2 2.86Å; D260-R262 IonicContact OD2-CZ 3.88Å; D260-R262 VanDerWaalsContact OD2-CZ 3.26Å; D260-R262 IonicContact OD2-NE 2.69Å; D260-R262 PolarHBondContact OD2-NE 2.88Å; D260-R262 VanDerWaalsContact OD2-NE 3.09Å; D260-R262 IonicContact OD2-NH2 3.01Å; D260-R262 PolarHBondContact OD2-NH2 2.86Å; D260-T263 PolarHBondContact O-N 3.41Å; D260-T263 PolarHBondContact O-OG1 3.21Å
261P52.7Low66.8Low79 Ų7956 Ų5651%0.51330%0.297SS..THydrogen-bonded Turntrans-62.1-14.4-179.225.2-34.1000113.2R259 T263R259-P261 VanDerWaalsContact O-CD 3.23Å; R259-P261 WeakPolarHBondContact O-CD 3.4Å; P261-T263 VanDerWaalsContact C-N 3.3Å
262R45.5Very low65Low142 Ų14258.9 Ų58.954%0.53631%0.307SS..THydrogen-bonded Turntrans-73.8-18.6175.1-61.2175.4-69.7173.30.6113.4D260 P264D260-R262 PolarHBondContact O-N 3.27Å; D260-R262 VanDerWaalsContact OD1-CB 3.27Å; D260-R262 WeakPolarHBondContact OD1-CB 3.32Å; D260-R262 WeakPolarHBondContact OD1-CG 3.32Å; D260-R262 IonicContact OD1-CZ 2.58Å; D260-R262 PolarHBondContact OD1-N 3.07Å; D260-R262 IonicContact OD1-NE 3.96Å; D260-R262 PolarHBondContact OD1-NE 2.88Å; D260-R262 IonicContact OD1-NH2 2.86Å; D260-R262 IonicContact OD2-CZ 3.88Å; D260-R262 VanDerWaalsContact OD2-CZ 3.26Å; D260-R262 IonicContact OD2-NE 2.69Å; D260-R262 PolarHBondContact OD2-NE 2.88Å; D260-R262 VanDerWaalsContact OD2-NE 3.09Å; D260-R262 IonicContact OD2-NH2 3.01Å; D260-R262 PolarHBondContact OD2-NH2 2.86Å; R262-P264 WeakPolarHBondContact O-CD 3.38Å
263T50.3Low62.9Low65 Ų6563.1 Ų63.140%0.39933%0.326SS..SBendtrans-70.8113.5174.741.10000109.7D260 P261D260-T263 PolarHBondContact O-N 3.41Å; D260-T263 PolarHBondContact O-OG1 3.21Å; P261-T263 VanDerWaalsContact C-N 3.3Å
264P39.6Very low60.9Low98 Ų9867.1 Ų67.164%0.63635%0.354SS*.  trans-61.5141.4176.9-1932.5000110R262 D266R262-P264 WeakPolarHBondContact O-CD 3.38Å; P264-D266 HydrophobicContact CB-CB 4.38Å; P264-D266 PolarHBondContact O-N 2.58Å
265Q46.7Very low58.5Low187 Ų18777 Ų7787%0.87439%0.391SS*.  trans-71.447.7163.2-70.4-177.5-900110.7
266D47.6Very low56.7Low78 Ų7884 Ų8442%0.41742%0.417SS..  trans-68.5133.6170.2-175.2-8.6000107.7P264 S268 S269P264-D266 HydrophobicContact CB-CB 4.38Å; P264-D266 PolarHBondContact O-N 2.58Å; D266-S268 PolarHBondContact O-N 2.92Å; D266-S268 PolarHBondContact OD1-N 2.96Å; D266-S268 VanDerWaalsContact OD1-N 3.1Å; D266-S268 PolarHBondContact OD1-OG 2.93Å; D266-S268 PolarHBondContact OD2-OG 3.47Å; D266-S269 WeakPolarHBondContact O-CA 3.49Å; D266-S269 WeakPolarHBondContact O-CB 3.31Å; D266-S269 PolarHBondContact O-N 3.22Å; D266-S269 PolarHBondContact O-OG 3.24Å
267P47.8Very low54.6Low51 Ų5193 Ų9333%0.33145%0.45SS..G310 helixtrans-47.2-30.3168.9-4.2-5.8000113.6S269 V270P267-S269 PolarHBondContact O-N 3.02Å; P267-V270 WeakPolarHBondContact O-CB 3.42Å; P267-V270 WeakPolarHBondContact O-CG2 3.42Å; P267-V270 PolarHBondContact O-N 2.73Å
268S49.1Very low53.4Low40 Ų4093.8 Ų93.828%0.2847%0.473SS..G310 helixtrans-61.7-27.8172.977.20000113.5D266 V270 L271D266-S268 PolarHBondContact O-N 2.92Å; D266-S268 PolarHBondContact OD1-N 2.96Å; D266-S268 VanDerWaalsContact OD1-N 3.1Å; D266-S268 PolarHBondContact OD1-OG 2.93Å; D266-S268 PolarHBondContact OD2-OG 3.47Å; S268-V270 PolarHBondContact O-N 3.22Å; S268-L271 PolarHBondContact O-N 2.85Å; S268-L271 VanDerWaalsContact O-N 3.1Å
269S56.8Low52.4Low43 Ų4397.2 Ų97.230%0.30148%0.481SS..G310 helixtrans-63.2-22.6178.573.60000113.5D266 P267 L271 K272D266-S269 WeakPolarHBondContact O-CA 3.49Å; D266-S269 WeakPolarHBondContact O-CB 3.31Å; D266-S269 PolarHBondContact O-N 3.22Å; D266-S269 PolarHBondContact O-OG 3.24Å; P267-S269 PolarHBondContact O-N 3.02Å; S269-L271 PolarHBondContact O-N 2.81Å; S269-L271 VanDerWaalsContact O-N 3.16Å; S269-K272 PolarHBondContact O-N 2.88Å; S269-K272 VanDerWaalsContact O-N 3.14Å
270V59Low52.5Low11 Ų1192.6 Ų92.67%0.06747%0.468CS..G310 helixtrans-56.9-33.2174.8178.90000110.5P267 S268 L457 R513 L514P267-V270 WeakPolarHBondContact O-CB 3.42Å; P267-V270 WeakPolarHBondContact O-CG2 3.42Å; P267-V270 PolarHBondContact O-N 2.73Å; S268-V270 PolarHBondContact O-N 3.22Å; V270-L457 HydrophobicContact CB-CD2 4.47Å; V270-L457 HydrophobicContact CG1-CD2 3.71Å; V270-R513 HydrophobicContact CG1-CB 4.1Å; V270-R513 WeakPolarHBondContact O-CD 3.25Å; V270-R513 PolarHBondContact O-NH1 3.09Å; V270-L514 HydrophobicContact CG1-CD2 4Å; V270-L514 HydrophobicContact CG1-CG 4.29Å
271L64.4Low53.3Low68 Ų6891 Ų9136%0.35646%0.458SS..THydrogen-bonded Turntrans-84.9-31.3-179.3-53.7-176.7000112.6S268 S269 K273 L457 W482 R513S268-L271 PolarHBondContact O-N 2.85Å; S268-L271 VanDerWaalsContact O-N 3.1Å; S269-L271 PolarHBondContact O-N 2.81Å; S269-L271 VanDerWaalsContact O-N 3.16Å; L271-K273 PolarHBondContact O-N 3.14Å; L271-L457 HydrophobicContact CD2-CD2 4.42Å; L271-W482 HydrophobicContact CD2-CH2 3.57Å; L271-W482 HydrophobicContact CD2-CZ3 4.29Å; L271-R513 PolarHBondContact O-NH1 3.34Å
272K60.6Low54.4Low89 Ų8989 Ų8939%0.38745%0.445SS..  trans-66122.1-178.5-64.2-171.5176.5-1700110.7S269 S274 R513S269-K272 PolarHBondContact O-N 2.88Å; S269-K272 VanDerWaalsContact O-N 3.14Å; K272-S274 PolarHBondContact O-N 3.33Å; K272-R513 PolarHBondContact O-NH1 3.09Å
273K53Low56.1Low92 Ų9287.1 Ų87.140%0.444%0.437SS..  trans-76.9107166.7-75.6179.4-175.21730107.3L271 R275 E558 L560L271-K273 PolarHBondContact O-N 3.14Å; K273-R275 PolarHBondContact O-N 3.16Å; K273-R275 VanDerWaalsContact O-N 3.09Å; K273-E558 IonicContact NZ-OE2 2.88Å; K273-E558 PolarHBondContact NZ-OE2 3.38Å; K273-L560 VanDerWaalsContact CE-CD2 3.45Å
274S54Low57.7Low92 Ų9284.7 Ų84.764%0.64342%0.424SS*.  trans-65.2112.1165.2-179.30000108.4K272 R276K272-S274 PolarHBondContact O-N 3.33Å; S274-R276 PolarHBondContact O-N 3.04Å
275R47.2Very low60Low207 Ų20781.1 Ų81.178%0.78140%0.4SS*.  trans-67.5122171.8-73.1-177.7117.6171.62.9108.1K273 R277K273-R275 PolarHBondContact O-N 3.16Å; K273-R275 VanDerWaalsContact O-N 3.09Å; R275-R277 PolarHBondContact O-N 3.05Å
276R53.9Low62.1Low154 Ų15472.6 Ų72.658%0.58136%0.362SS*.  trans-76.1104.1177.5-63176.2177.9172.2-3.3108.1S274S274-R276 PolarHBondContact O-N 3.04Å
277R45.8Very low64.3Low193 Ų19369.6 Ų69.673%0.72835%0.346SS*.  trans-67.4143.5176.2-69.4-175.4175.9-177.3-1.6111R275 R279 G280R275-R277 PolarHBondContact O-N 3.05Å; R277-R279 VanDerWaalsContact C-N 3.31Å; R277-R279 PolarHBondContact O-N 3.31Å; R277-R279 VanDerWaalsContact O-N 3.09Å; R277-G280 PolarHBondContact O-N 3.03Å; R277-G280 VanDerWaalsContact O-N 3.1Å
278G50.3Low66.5Low69 Ų6970 Ų7071%0.71134%0.344SS*.THydrogen-bonded Turntrans-57.4-22.7-163.900000118G280G278-G280 VanDerWaalsContact C-N 3.29Å; G278-G280 PolarHBondContact O-N 3.3Å
279R52.7Low68.7Low115 Ų11571 Ų7143%0.43434%0.344SS..THydrogen-bonded Turntrans-87.517.9175.2-67.8-173.3-177.9-146.1-0.4114.3R277 W281 T282R277-R279 VanDerWaalsContact C-N 3.31Å; R277-R279 PolarHBondContact O-N 3.31Å; R277-R279 VanDerWaalsContact O-N 3.09Å; R279-W281 VanDerWaalsContact C-N 3.32Å; R279-W281 PolarHBondContact O-N 3.39Å; R279-T282 PolarHBondContact O-OG1 3.47Å; R279-T282 VanDerWaalsContact O-OG1 3.14Å
280G66.9Low70.7Confident16 Ų1669 Ų6917%0.16533%0.33CS..  trans-63.3-29.5-173.500000115.5R277 G278 R283R277-G280 PolarHBondContact O-N 3.03Å; R277-G280 VanDerWaalsContact O-N 3.1Å; G278-G280 VanDerWaalsContact C-N 3.29Å; G278-G280 PolarHBondContact O-N 3.3Å; G280-R283 PolarHBondContact O-N 3.19Å
281W74.7Confident72.5Confident23 Ų2368.4 Ų68.49%0.08733%0.327CS..G310 helixtrans-74.2-33.7-172.2-63.2109.1000114.2F257 R279 R283 A284 S375 N378 G382 V388F257-W281 HydrophobicContact CD2-CZ3 4.41Å; F257-W281 AromaticContact CE1-CD2 3.92Å; F257-W281 HydrophobicContact CE1-CD2 3.92Å; F257-W281 AromaticContact CE1-CE2 3.99Å; F257-W281 AromaticContact CE1-CE3 3.97Å; F257-W281 HydrophobicContact CE1-CE3 3.97Å; F257-W281 HydrophobicContact CE1-CH2 4.28Å; F257-W281 HydrophobicContact CE1-CZ2 4.22Å; F257-W281 HydrophobicContact CE1-CZ3 4.11Å; F257-W281 HydrophobicContact CE2-CE3 4.17Å; F257-W281 AromaticContact CE2-CH2 3.5Å; F257-W281 HydrophobicContact CE2-CH2 3.5Å; F257-W281 HydrophobicContact CE2-CZ2 4.12Å; F257-W281 AromaticContact CE2-CZ3 3.49Å; F257-W281 HydrophobicContact CE2-CZ3 3.49Å; F257-W281 VanDerWaalsContact CE2-CZ3 3.49Å; F257-W281 AromaticContact CZ-CD2 3.81Å; F257-W281 HydrophobicContact CZ-CD2 3.81Å; F257-W281 AromaticContact CZ-CE2 3.61Å; F257-W281 AromaticContact CZ-CE3 3.66Å; F257-W281 HydrophobicContact CZ-CE3 3.66Å; F257-W281 AromaticContact CZ-CH2 3.22Å; F257-W281 HydrophobicContact CZ-CH2 3.22Å; F257-W281 AromaticContact CZ-CZ2 3.38Å; F257-W281 HydrophobicContact CZ-CZ2 3.38Å; F257-W281 AromaticContact CZ-CZ3 3.34Å; F257-W281 HydrophobicContact CZ-CZ3 3.34Å; R279-W281 VanDerWaalsContact C-N 3.32Å; R279-W281 PolarHBondContact O-N 3.39Å; W281-R283 PolarHBondContact O-N 3.06Å; W281-A284 VanDerWaalsContact O-CB 3.31Å; W281-A284 WeakPolarHBondContact O-CB 3.44Å; W281-A284 PolarHBondContact O-N 3.27Å; W281-A284 VanDerWaalsContact O-N 3.13Å; W281-S375 WeakPolarHBondContact CZ3-O 3.46Å; W281-N378 HydrophobicContact CD2-CB 3.61Å; W281-N378 HydrophobicContact CE3-CB 3.47Å; W281-N378 VanDerWaalsContact CE3-CB 3.47Å; W281-N378 HydrophobicContact CG-CB 4.44Å; W281-N378 HydrophobicContact CH2-CB 3.47Å; W281-N378 VanDerWaalsContact CH2-CB 3.47Å; W281-N378 HydrophobicContact CZ2-CB 3.6Å; W281-N378 WeakPolarHBondContact CZ2-ND2 3.41Å; W281-N378 HydrophobicContact CZ3-CB 3.43Å; W281-N378 VanDerWaalsContact CZ3-CB 3.43Å; W281-G382 WeakPolarHBondContact CB-O 3.33Å; W281-V388 HydrophobicContact CH2-CG1 4.39Å
282T76.9Confident74Confident37 Ų3772.3 Ų72.323%0.22734%0.337CS..G310 helixtrans-67.1-17.8177.254.60000112.8R279 A284 G382R279-T282 PolarHBondContact O-OG1 3.47Å; R279-T282 VanDerWaalsContact O-OG1 3.14Å; T282-A284 VanDerWaalsContact C-N 3.28Å; T282-G382 WeakPolarHBondContact CG2-O 3.33Å
283R80.6Confident75.8Confident101 Ų10168.5 Ų68.538%0.38132%0.322SS..G310 helixtrans-85.64.7176-57-176.480.7-174.44.1113.1P258 G280 W281 L285 A318P258-R283 WeakPolarHBondContact CD-O 3.44Å; P258-R283 WeakPolarHBondContact CG-O 3.46Å; G280-R283 PolarHBondContact O-N 3.19Å; W281-R283 PolarHBondContact O-N 3.06Å; R283-L285 PolarHBondContact O-N 3.48Å; R283-A318 HydrophobicContact CG-CB 4.08Å
284A84.7Confident77.9Confident15 Ų1564.1 Ų64.112%0.12430%0.303CS..  trans-54.5130.1-179.400000111.4F254 T255 W281 T282 P287F254-A284 HydrophobicContact CE1-CB 4.41Å; F254-A284 HydrophobicContact CZ-CB 4.14Å; T255-A284 CarbonylContact O-C 3.59Å; T255-A284 VanDerWaalsContact O-CA 3.31Å; T255-A284 WeakPolarHBondContact O-CA 3.41Å; W281-A284 VanDerWaalsContact O-CB 3.31Å; W281-A284 WeakPolarHBondContact O-CB 3.44Å; W281-A284 PolarHBondContact O-N 3.27Å; W281-A284 VanDerWaalsContact O-N 3.13Å; T282-A284 VanDerWaalsContact C-N 3.28Å; A284-P287 HydrophobicContact CB-CG 4.29Å; A284-P287 VanDerWaalsContact O-CD 3.26Å; A284-P287 WeakPolarHBondContact O-CD 3.34Å
285L87Confident79.9Confident23 Ų2362.6 Ų62.612%0.1229%0.285CS..BIsolated β-bridgetrans-89.4138.8172.3-177148.7000109.1V227 F254 T255 R283 L542V227-L285 HydrophobicContact CG2-CD2 4.48Å; F254-L285 VanDerWaalsContact CA-O 3.29Å; F254-L285 WeakPolarHBondContact CA-O 3.48Å; F254-L285 WeakPolarHBondContact CD2-O 3.49Å; F254-L285 WeakPolarHBondContact CG-O 3.46Å; T255-L285 HydrophobicContact CG2-CB 3.73Å; T255-L285 PolarHBondContact N-O 3.1Å; T255-L285 PolarHBondContact O-N 3.35Å; R283-L285 PolarHBondContact O-N 3.48Å; L285-L542 HydrophobicContact CD1-CB 3.84Å; L285-L542 HydrophobicContact CD1-CD2 4.31Å
286G91.7Very high82.3Confident7 Ų755.7 Ų55.77%0.07227%0.273CS..SBendtrans112.3-23178.400000117L253 E288 Q289 L290L253-G286 VanDerWaalsContact O-CA 3.23Å; L253-G286 WeakPolarHBondContact O-CA 3.25Å; G286-E288 VanDerWaalsContact C-N 3.27Å; G286-E288 PolarHBondContact O-N 3.44Å; G286-Q289 PolarHBondContact O-N 2.84Å; G286-L290 PolarHBondContact O-N 3.44Å
287P94.2Very high84.3Confident15 Ų1549.6 Ų49.610%0.09725%0.251CS..Hα-helixtrans-52.3-42.3176.7-28.333.7000113.6F254 A284 L290 L291 I311 L380F254-P287 HydrophobicContact CE2-CG 4.14Å; F254-P287 HydrophobicContact CZ-CG 4.49Å; A284-P287 HydrophobicContact CB-CG 4.29Å; A284-P287 VanDerWaalsContact O-CD 3.26Å; A284-P287 WeakPolarHBondContact O-CD 3.34Å; P287-L290 PolarHBondContact O-N 2.97Å; P287-L291 WeakPolarHBondContact O-CB 3.43Å; P287-L291 PolarHBondContact O-N 3.4Å; P287-I311 HydrophobicContact CB-CD1 3.96Å; P287-I311 HydrophobicContact CB-CG1 4.1Å; P287-L380 HydrophobicContact CB-CD2 4.12Å; P287-L380 HydrophobicContact CG-CD2 4.14Å
288E93.7Very high86.6Confident61 Ų6140.5 Ų40.529%0.28522%0.217SC..Hα-helixtrans-66.6-38.4177.2177.460.4-160.200112.9G286 R292G286-E288 VanDerWaalsContact C-N 3.27Å; G286-E288 PolarHBondContact O-N 3.44Å; E288-R292 WeakPolarHBondContact O-CG 3.5Å; E288-R292 PolarHBondContact O-N 3.34Å; E288-R292 VanDerWaalsContact O-N 3.15Å; E288-R292 IonicContact OE1-CZ 2.69Å; E288-R292 VanDerWaalsContact OE1-CZ 3.3Å; E288-R292 IonicContact OE1-NE 3.91Å; E288-R292 PolarHBondContact OE1-NE 3.49Å; E288-R292 IonicContact OE1-NH2 3.68Å; E288-R292 PolarHBondContact OE1-NH2 3.06Å
289Q95.5Very high88.6Confident59 Ų5942.6 Ų42.628%0.27622%0.216SC..Hα-helixtrans-67.8-39.7175.3-69.9-172.821.600111.1V252 G286 R292 A293V252-Q289 HydrophobicContact CG1-CB 3.95Å; V252-Q289 HydrophobicContact CG2-CB 4.42Å; G286-Q289 PolarHBondContact O-N 2.84Å; Q289-R292 PolarHBondContact O-N 2.93Å; Q289-A293 PolarHBondContact O-N 2.99Å
290L97.2Very high90.4Very high1 Ų140.5 Ų40.51%0.00523%0.23CC..Hα-helixtrans-66.2-42.4177.3-175.561.6000111.7L192 V221 V252 G286 P287 R292 A293 C294 W307 L380L192-L290 HydrophobicContact CD1-CD1 4.2Å; L192-L290 HydrophobicContact CD1-CD2 4.01Å; L192-L290 HydrophobicContact CD2-CD1 3.7Å; V221-L290 HydrophobicContact CG1-CD1 4.06Å; V252-L290 HydrophobicContact CG1-CB 4.31Å; V252-L290 HydrophobicContact CG2-CD1 4.39Å; G286-L290 PolarHBondContact O-N 3.44Å; P287-L290 PolarHBondContact O-N 2.97Å; L290-R292 PolarHBondContact O-N 3.12Å; L290-A293 PolarHBondContact O-N 2.87Å; L290-C294 PolarHBondContact O-N 3.38Å; L290-C294 PolarHBondContact O-SG 3.22Å; L290-W307 HydrophobicContact CD2-CH2 3.99Å; L290-W307 HydrophobicContact CD2-CZ2 4.15Å; L290-W307 HydrophobicContact CG-CH2 3.94Å; L290-W307 HydrophobicContact CG-CZ2 4.37Å; L290-L380 HydrophobicContact CD2-CD1 3.79Å; L290-L380 HydrophobicContact CD2-CD2 3.77Å; L290-L380 HydrophobicContact CD2-CG 4.43Å
291L97.2Very high91.7Very high0 Ų046.8 Ų46.80%025%0.253CS..Hα-helixtrans-56.2-50.3173.7174.465000110.6P287 A293 C294 E295 L304 W307 R308 I311P287-L291 WeakPolarHBondContact O-CB 3.43Å; P287-L291 PolarHBondContact O-N 3.4Å; L291-A293 VanDerWaalsContact C-N 3.33Å; L291-A293 PolarHBondContact O-N 3.42Å; L291-C294 WeakPolarHBondContact O-CB 3.17Å; L291-C294 PolarHBondContact O-N 3.24Å; L291-C294 VanDerWaalsContact O-N 3.12Å; L291-E295 HydrophobicContact CD1-CG 4.23Å; L291-E295 HydrophobicContact CG-CG 4.45Å; L291-E295 WeakPolarHBondContact O-CG 3.37Å; L291-E295 PolarHBondContact O-N 3.03Å; L291-L304 HydrophobicContact CD1-CB 3.93Å; L291-L304 HydrophobicContact CD1-CD1 4.28Å; L291-W307 HydrophobicContact CD1-CB 4.35Å; L291-W307 HydrophobicContact CD1-CD2 3.95Å; L291-W307 HydrophobicContact CD1-CE3 3.68Å; L291-W307 HydrophobicContact CD1-CG 4.26Å; L291-W307 HydrophobicContact CD1-CZ3 4.34Å; L291-R308 HydrophobicContact CD2-CB 3.8Å; L291-R308 HydrophobicContact CD2-CG 4.14Å; L291-I311 HydrophobicContact CB-CD1 3.94Å; L291-I311 HydrophobicContact CD2-CD1 3.95Å
292R97.1Very high92.6Very high149 Ų14946.1 Ų46.156%0.56225%0.251SS*.Hα-helixtrans-60.3-40.6178.5-70.1175-165.2178.73.2112.9E288 Q289 L290 E295 A296E288-R292 WeakPolarHBondContact O-CG 3.5Å; E288-R292 PolarHBondContact O-N 3.34Å; E288-R292 VanDerWaalsContact O-N 3.15Å; E288-R292 IonicContact OE1-CZ 2.69Å; E288-R292 VanDerWaalsContact OE1-CZ 3.3Å; E288-R292 IonicContact OE1-NE 3.91Å; E288-R292 PolarHBondContact OE1-NE 3.49Å; E288-R292 IonicContact OE1-NH2 3.68Å; E288-R292 PolarHBondContact OE1-NH2 3.06Å; Q289-R292 PolarHBondContact O-N 2.93Å; L290-R292 PolarHBondContact O-N 3.12Å; R292-E295 PolarHBondContact O-N 3.42Å; R292-A296 WeakPolarHBondContact O-CB 3.44Å; R292-A296 PolarHBondContact O-N 2.77Å
293A97.1Very high93.5Very high9 Ų949.2 Ų49.27%0.07427%0.267CS..Hα-helixtrans-62-45.2174.700000110.8V221 H250 V252 Q289 L290 L291 E295 A296 I297V221-A293 HydrophobicContact CG1-CB 4.48Å; V221-A293 HydrophobicContact CG2-CB 4.49Å; H250-A293 HydrophobicContact CB-CB 4.18Å; V252-A293 HydrophobicContact CG2-CB 4.12Å; Q289-A293 PolarHBondContact O-N 2.99Å; L290-A293 PolarHBondContact O-N 2.87Å; L291-A293 VanDerWaalsContact C-N 3.33Å; L291-A293 PolarHBondContact O-N 3.42Å; A293-E295 PolarHBondContact O-N 2.87Å; A293-A296 PolarHBondContact O-N 3.09Å; A293-I297 WeakPolarHBondContact O-CD1 3.44Å; A293-I297 WeakPolarHBondContact O-CG1 3.45Å; A293-I297 PolarHBondContact O-N 3.41Å; A293-I297 VanDerWaalsContact O-N 3.11Å
294C97.3Very high94.2Very high0 Ų044.8 Ų44.80%025%0.25CS..Hα-helixtrans-63.2-41.5177-64.80000112I190 L290 L291 A296 I297 T298 L304 W307I190-C294 HydrophobicContact CD1-CB 4.3Å; L290-C294 PolarHBondContact O-N 3.38Å; L290-C294 PolarHBondContact O-SG 3.22Å; L291-C294 WeakPolarHBondContact O-CB 3.17Å; L291-C294 PolarHBondContact O-N 3.24Å; L291-C294 VanDerWaalsContact O-N 3.12Å; C294-A296 PolarHBondContact O-N 3.47Å; C294-I297 PolarHBondContact O-N 3.11Å; C294-I297 VanDerWaalsContact O-N 3.17Å; C294-T298 WeakPolarHBondContact O-CG2 3.46Å; C294-T298 PolarHBondContact O-N 3.38Å; C294-T298 PolarHBondContact O-OG1 3.01Å; C294-T298 VanDerWaalsContact O-OG1 3.06Å; C294-L304 HydrophobicContact CB-CD1 4.03Å; C294-W307 HydrophobicContact CB-CZ3 4.09Å
295E96.9Very high94.7Very high60 Ų6046.4 Ų46.428%0.2826%0.261SS..Hα-helixtrans-61.6-41.2175.8-72.8-179.3142.200112.8L291 R292 A293 I297 V299 L304 R308L291-E295 HydrophobicContact CD1-CG 4.23Å; L291-E295 HydrophobicContact CG-CG 4.45Å; L291-E295 WeakPolarHBondContact O-CG 3.37Å; L291-E295 PolarHBondContact O-N 3.03Å; R292-E295 PolarHBondContact O-N 3.42Å; A293-E295 PolarHBondContact O-N 2.87Å; E295-I297 VanDerWaalsContact C-N 3.26Å; E295-I297 PolarHBondContact O-N 2.94Å; E295-V299 PolarHBondContact O-N 2.89Å; E295-L304 HydrophobicContact CG-CB 4.47Å; E295-L304 HydrophobicContact CG-CD1 3.67Å; E295-R308 IonicContact OE1-CZ 2.77Å; E295-R308 IonicContact OE1-NE 2.82Å; E295-R308 IonicContact OE1-NH2 3.81Å; E295-R308 PolarHBondContact OE1-NH2 2.77Å; E295-R308 IonicContact OE2-CZ 3.17Å; E295-R308 IonicContact OE2-NH2 2.69Å; E295-R308 PolarHBondContact OE2-NH2 3.1Å
296A96.4Very high95.1Very high62 Ų6246.9 Ų46.951%0.51227%0.266SS..Hα-helixtrans-64.8-31.3175.700000112.5R292 A293 C294 V299R292-A296 WeakPolarHBondContact O-CB 3.44Å; R292-A296 PolarHBondContact O-N 2.77Å; A293-A296 PolarHBondContact O-N 3.09Å; C294-A296 PolarHBondContact O-N 3.47Å; A296-V299 VanDerWaalsContact O-CG2 3.29Å; A296-V299 WeakPolarHBondContact O-CG2 3.35Å
297I96Very high95.2Very high26 Ų2646.6 Ų46.613%0.13326%0.263CS..Hα-helixtrans-82.6-43.5-179.8-67.6162.9000111.7I190 A219 V221 A293 C294 E295I190-I297 HydrophobicContact CD1-CB 4.15Å; I190-I297 HydrophobicContact CD1-CD1 4.24Å; I190-I297 HydrophobicContact CD1-CG2 3.77Å; I190-I297 HydrophobicContact CG1-CG2 3.92Å; I190-I297 HydrophobicContact CG2-CD1 4.19Å; A219-I297 HydrophobicContact CB-CB 4.32Å; A219-I297 HydrophobicContact CB-CD1 3.83Å; A219-I297 HydrophobicContact CB-CG1 3.95Å; A219-I297 HydrophobicContact CB-CG2 3.38Å; V221-I297 HydrophobicContact CG2-CD1 3.71Å; A293-I297 WeakPolarHBondContact O-CD1 3.44Å; A293-I297 WeakPolarHBondContact O-CG1 3.45Å; A293-I297 PolarHBondContact O-N 3.41Å; A293-I297 VanDerWaalsContact O-N 3.11Å; C294-I297 PolarHBondContact O-N 3.11Å; C294-I297 VanDerWaalsContact O-N 3.17Å; E295-I297 VanDerWaalsContact C-N 3.26Å; E295-I297 PolarHBondContact O-N 2.94Å
298T95.1Very high95.3Very high2 Ų250.7 Ų50.71%0.01228%0.277CS..Hα-helixtrans-78.6-25.9-176.361.20000112.2I190 C294 G300 K301 V302 Y356 V361I190-T298 HydrophobicContact CD1-CG2 4.3Å; C294-T298 WeakPolarHBondContact O-CG2 3.46Å; C294-T298 PolarHBondContact O-N 3.38Å; C294-T298 PolarHBondContact O-OG1 3.01Å; C294-T298 VanDerWaalsContact O-OG1 3.06Å; T298-G300 PolarHBondContact O-N 3.46Å; T298-K301 VanDerWaalsContact O-CB 3.23Å; T298-K301 WeakPolarHBondContact O-CB 3.44Å; T298-K301 WeakPolarHBondContact O-CD 3.38Å; T298-K301 WeakPolarHBondContact O-CG 3.38Å; T298-K301 PolarHBondContact O-N 3.32Å; T298-V302 HydrophobicContact CG2-CB 4.48Å; T298-Y356 HydrophobicContact CG2-CE1 3.81Å; T298-V361 HydrophobicContact CG2-CG2 4.31Å
299V92.6Very high95.4Very high114 Ų11453.8 Ų53.869%0.69129%0.291SS*.THydrogen-bonded Turntrans49.445.3176.6-162.30000111.6E295 A296 K301E295-V299 PolarHBondContact O-N 2.89Å; A296-V299 VanDerWaalsContact O-CG2 3.29Å; A296-V299 WeakPolarHBondContact O-CG2 3.35Å; V299-K301 VanDerWaalsContact C-N 3.3Å; V299-K301 PolarHBondContact O-N 2.98Å
300G90.4Very high95.3Very high71 Ų7151.9 Ų51.973%0.73228%0.282SS*.THydrogen-bonded Turntrans75.86178.200000115.9T298 V302T298-G300 PolarHBondContact O-N 3.46Å; G300-V302 PolarHBondContact O-N 2.7Å
301K93.5Very high95Very high147 Ų14752.5 Ų52.564%0.63929%0.285SS*.SBendtrans-68.1-21.2173.8-67.3173.9-177.3177.80113.6T298 V299 Y356T298-K301 VanDerWaalsContact O-CB 3.23Å; T298-K301 WeakPolarHBondContact O-CB 3.44Å; T298-K301 WeakPolarHBondContact O-CD 3.38Å; T298-K301 WeakPolarHBondContact O-CG 3.38Å; T298-K301 PolarHBondContact O-N 3.32Å; V299-K301 VanDerWaalsContact C-N 3.3Å; V299-K301 PolarHBondContact O-N 2.98Å; K301-Y356 HydrophobicContact CB-CD2 4Å; K301-Y356 HydrophobicContact CB-CE2 4.06Å; K301-Y356 HydrophobicContact CD-CD2 4.01Å; K301-Y356 HydrophobicContact CD-CE2 3.54Å; K301-Y356 HydrophobicContact CG-CE2 4.47Å
302V94.6Very high94.8Very high9 Ų955.5 Ų55.56%0.05531%0.31CS..SBendtrans-131.8137.4179.11760000108.8T298 G300 L304 Y356 G359 V361T298-V302 HydrophobicContact CG2-CB 4.48Å; G300-V302 PolarHBondContact O-N 2.7Å; V302-L304 HydrophobicContact CG1-CD2 3.91Å; V302-L304 PolarHBondContact O-N 3.14Å; V302-Y356 HydrophobicContact CG2-CD1 3.38Å; V302-Y356 HydrophobicContact CG2-CD2 4.45Å; V302-Y356 HydrophobicContact CG2-CE1 4.13Å; V302-Y356 HydrophobicContact CG2-CG 3.55Å; V302-G359 WeakPolarHBondContact CG1-O 3.39Å; V302-V361 HydrophobicContact CB-CB 4.46Å; V302-V361 HydrophobicContact CG1-CB 4.13Å; V302-V361 HydrophobicContact CG1-CG1 4.04Å; V302-V361 HydrophobicContact CG2-CB 4.16Å
303D95Very high94.4Very high103 Ų10355.3 Ų55.355%0.55131%0.309SS*.  trans-77.8110.1175.5-179.817.1000110.9S305 S406D303-S305 WeakPolarHBondContact OD1-CB 3.45Å; D303-S305 PolarHBondContact OD1-N 2.75Å; D303-S305 PolarHBondContact OD1-OG 2.83Å; D303-S305 PolarHBondContact OD2-OG 2.63Å; D303-S406 VanDerWaalsContact O-CB 3.3Å; D303-S406 WeakPolarHBondContact O-CB 3.46Å; D303-S406 PolarHBondContact O-OG 3.21Å
304L96Very high94Very high7 Ų756.3 Ų56.34%0.03731%0.313CS..  trans-102.19178.7-57.4179.1000112.9L291 C294 E295 V302 S306 W307 R308 V361 V407L291-L304 HydrophobicContact CD1-CB 3.93Å; L291-L304 HydrophobicContact CD1-CD1 4.28Å; C294-L304 HydrophobicContact CB-CD1 4.03Å; E295-L304 HydrophobicContact CG-CB 4.47Å; E295-L304 HydrophobicContact CG-CD1 3.67Å; V302-L304 HydrophobicContact CG1-CD2 3.91Å; V302-L304 PolarHBondContact O-N 3.14Å; L304-S306 VanDerWaalsContact C-N 3.34Å; L304-S306 PolarHBondContact O-N 3.05Å; L304-W307 HydrophobicContact CD2-CE3 4.31Å; L304-W307 PolarHBondContact O-N 3.49Å; L304-W307 VanDerWaalsContact O-N 3.13Å; L304-R308 PolarHBondContact O-N 2.96Å; L304-V361 HydrophobicContact CD2-CG1 3.96Å; L304-V407 HydrophobicContact CD2-CG2 3.55Å
305S95.2Very high93.4Very high50 Ų5060.5 Ų60.535%0.3534%0.339SS..Hα-helixtrans-57.4-44.5179.161.40000112.5D303 W307 R308 E309D303-S305 WeakPolarHBondContact OD1-CB 3.45Å; D303-S305 PolarHBondContact OD1-N 2.75Å; D303-S305 PolarHBondContact OD1-OG 2.83Å; D303-S305 PolarHBondContact OD2-OG 2.63Å; S305-W307 VanDerWaalsContact C-N 3.26Å; S305-W307 PolarHBondContact O-N 3.11Å; S305-R308 WeakPolarHBondContact O-CB 3.43Å; S305-R308 PolarHBondContact O-N 3.06Å; S305-R308 VanDerWaalsContact O-N 3.13Å; S305-E309 WeakPolarHBondContact O-CG 3.28Å; S305-E309 PolarHBondContact O-N 2.82Å
306S94.5Very high92.8Very high33 Ų3360.1 Ų60.123%0.23135%0.345CS..Hα-helixtrans-58.3-36.3176.8640000113L304 K310 T404 S406L304-S306 VanDerWaalsContact C-N 3.34Å; L304-S306 PolarHBondContact O-N 3.05Å; S306-K310 WeakPolarHBondContact O-CB 3.47Å; S306-K310 PolarHBondContact O-N 3.08Å; S306-T404 WeakPolarHBondContact OG-CB 3.44Å; S306-T404 PolarHBondContact OG-OG1 3.26Å; S306-S406 PolarHBondContact OG-OG 2.94Å
307W95Very high91.9Very high0 Ų058.9 Ų58.90%034%0.339CS..Hα-helixtrans-73.9-40177.8-172.111.9000111.1L290 L291 C294 L304 S305 E309 K310 I311 I363 L380 L403 T404 V407L290-W307 HydrophobicContact CD2-CH2 3.99Å; L290-W307 HydrophobicContact CD2-CZ2 4.15Å; L290-W307 HydrophobicContact CG-CH2 3.94Å; L290-W307 HydrophobicContact CG-CZ2 4.37Å; L291-W307 HydrophobicContact CD1-CB 4.35Å; L291-W307 HydrophobicContact CD1-CD2 3.95Å; L291-W307 HydrophobicContact CD1-CE3 3.68Å; L291-W307 HydrophobicContact CD1-CG 4.26Å; L291-W307 HydrophobicContact CD1-CZ3 4.34Å; C294-W307 HydrophobicContact CB-CZ3 4.09Å; L304-W307 HydrophobicContact CD2-CE3 4.31Å; L304-W307 PolarHBondContact O-N 3.49Å; L304-W307 VanDerWaalsContact O-N 3.13Å; S305-W307 VanDerWaalsContact C-N 3.26Å; S305-W307 PolarHBondContact O-N 3.11Å; W307-E309 PolarHBondContact O-N 3.39Å; W307-K310 WeakPolarHBondContact O-CB 3.38Å; W307-K310 PolarHBondContact O-N 3.35Å; W307-I311 WeakPolarHBondContact O-CG1 3.21Å; W307-I311 PolarHBondContact O-N 3.13Å; W307-I363 HydrophobicContact CH2-CD1 4.01Å; W307-I363 HydrophobicContact CZ3-CD1 3.96Å; W307-L380 HydrophobicContact CZ2-CD2 4.36Å; W307-L403 HydrophobicContact CD2-CD2 3.99Å; W307-L403 HydrophobicContact CG-CD2 4.26Å; W307-L403 HydrophobicContact CH2-CD2 4.46Å; W307-L403 HydrophobicContact CZ2-CD2 3.66Å; W307-L403 VanDerWaalsContact NE1-CD2 3.31Å; W307-T404 HydrophobicContact CB-CG2 3.87Å; W307-T404 HydrophobicContact CG-CG2 4.42Å; W307-V407 HydrophobicContact CB-CG2 4.3Å; W307-V407 HydrophobicContact CD2-CG2 4.35Å; W307-V407 HydrophobicContact CE3-CG1 4.06Å; W307-V407 HydrophobicContact CE3-CG2 3.82Å; W307-V407 HydrophobicContact CZ3-CG1 4.1Å
308R95.4Very high90.9Very high101 Ų10158.9 Ų58.938%0.38134%0.342SS..Hα-helixtrans-58.4-46.8172.4-175.7-178.7-61.1-72.711112.2L291 E295 L304 S305 K310 I311 A312L291-R308 HydrophobicContact CD2-CB 3.8Å; L291-R308 HydrophobicContact CD2-CG 4.14Å; E295-R308 IonicContact OE1-CZ 2.77Å; E295-R308 IonicContact OE1-NE 2.82Å; E295-R308 IonicContact OE1-NH2 3.81Å; E295-R308 PolarHBondContact OE1-NH2 2.77Å; E295-R308 IonicContact OE2-CZ 3.17Å; E295-R308 IonicContact OE2-NH2 2.69Å; E295-R308 PolarHBondContact OE2-NH2 3.1Å; L304-R308 PolarHBondContact O-N 2.96Å; S305-R308 WeakPolarHBondContact O-CB 3.43Å; S305-R308 PolarHBondContact O-N 3.06Å; S305-R308 VanDerWaalsContact O-N 3.13Å; R308-K310 VanDerWaalsContact C-N 3.33Å; R308-K310 PolarHBondContact O-N 2.81Å; R308-I311 PolarHBondContact O-N 2.99Å; R308-A312 PolarHBondContact O-N 3.28Å
309E94.9Very high89.6Confident127 Ų12763.4 Ų63.459%0.59337%0.37SS*.Hα-helixtrans-62.8-40177.2-71.9175.5-175.300111.8S305 W307 A312 R313S305-E309 WeakPolarHBondContact O-CG 3.28Å; S305-E309 PolarHBondContact O-N 2.82Å; W307-E309 PolarHBondContact O-N 3.39Å; E309-A312 PolarHBondContact O-N 3.3Å; E309-R313 WeakPolarHBondContact O-CG 3.29Å; E309-R313 PolarHBondContact O-N 2.81Å
310K93.4Very high87.8Confident19 Ų1969 Ų698%0.08338%0.379CS..Hα-helixtrans-57.9-51.7172.5-175.8-166.9179-66.10111.3S306 W307 R308 A312 R313 D314 L380 V381 L403S306-K310 WeakPolarHBondContact O-CB 3.47Å; S306-K310 PolarHBondContact O-N 3.08Å; W307-K310 WeakPolarHBondContact O-CB 3.38Å; W307-K310 PolarHBondContact O-N 3.35Å; R308-K310 VanDerWaalsContact C-N 3.33Å; R308-K310 PolarHBondContact O-N 2.81Å; K310-A312 VanDerWaalsContact C-N 3.27Å; K310-A312 PolarHBondContact O-N 3.02Å; K310-R313 WeakPolarHBondContact O-CB 3.33Å; K310-R313 PolarHBondContact O-N 2.89Å; K310-R313 VanDerWaalsContact O-N 3.1Å; K310-D314 IonicContact NZ-OD1 3.88Å; K310-D314 IonicContact NZ-OD2 2.96Å; K310-D314 PolarHBondContact NZ-OD2 3.23Å; K310-D314 VanDerWaalsContact O-CG 3.31Å; K310-D314 PolarHBondContact O-N 3.17Å; K310-L380 PolarHBondContact NZ-O 2.77Å; K310-V381 VanDerWaalsContact CE-O 3.25Å; K310-V381 WeakPolarHBondContact CE-O 3.21Å; K310-V381 VanDerWaalsContact NZ-C 3.28Å; K310-V381 PolarHBondContact NZ-O 2.7Å; K310-L403 HydrophobicContact CD-CD1 3.88Å; K310-L403 HydrophobicContact CD-CG 4.42Å
311I92.5Very high85.8Confident14 Ų1466.8 Ų66.87%0.07236%0.356CS..Hα-helixtrans-58.2-42.6179.1-68.4171.3000110.6P287 L291 W307 R308 R313 D314 V315P287-I311 HydrophobicContact CB-CD1 3.96Å; P287-I311 HydrophobicContact CB-CG1 4.1Å; L291-I311 HydrophobicContact CB-CD1 3.94Å; L291-I311 HydrophobicContact CD2-CD1 3.95Å; W307-I311 WeakPolarHBondContact O-CG1 3.21Å; W307-I311 PolarHBondContact O-N 3.13Å; R308-I311 PolarHBondContact O-N 2.99Å; I311-R313 VanDerWaalsContact C-N 3.33Å; I311-R313 PolarHBondContact O-N 3.42Å; I311-D314 PolarHBondContact O-N 3.06Å; I311-V315 HydrophobicContact CG2-CG2 4.38Å; I311-V315 VanDerWaalsContact O-CG2 3.31Å; I311-V315 WeakPolarHBondContact O-CG2 3.37Å; I311-V315 PolarHBondContact O-N 3Å
312A91.6Very high83.6Confident62 Ų6263.5 Ų63.551%0.51235%0.346SS..Hα-helixtrans-61.2-40.4177.300000112.5R308 E309 K310 A316R308-A312 PolarHBondContact O-N 3.28Å; E309-A312 PolarHBondContact O-N 3.3Å; K310-A312 VanDerWaalsContact C-N 3.27Å; K310-A312 PolarHBondContact O-N 3.02Å; A312-A316 WeakPolarHBondContact O-CB 3.32Å; A312-A316 PolarHBondContact O-N 3.43Å
313R89.5Confident80.8Confident145 Ų14565.8 Ų65.855%0.54737%0.371SS..Hα-helixtrans-64.3-45.1173.7-72.8-172.8-64.3125.7-2.7112.2E309 K310 I311 V315 A316 G317E309-R313 WeakPolarHBondContact O-CG 3.29Å; E309-R313 PolarHBondContact O-N 2.81Å; K310-R313 WeakPolarHBondContact O-CB 3.33Å; K310-R313 PolarHBondContact O-N 2.89Å; K310-R313 VanDerWaalsContact O-N 3.1Å; I311-R313 VanDerWaalsContact C-N 3.33Å; I311-R313 PolarHBondContact O-N 3.42Å; R313-V315 VanDerWaalsContact C-N 3.33Å; R313-V315 PolarHBondContact O-N 3.47Å; R313-A316 PolarHBondContact O-N 3.21Å; R313-G317 PolarHBondContact O-N 2.72Å
314D87.6Confident78.1Confident31 Ų3166.2 Ų66.217%0.16638%0.382CS..Hα-helixtrans-61.1-42.8179.7-63.4-21.9000111.2K310 I311 G317 A318K310-D314 IonicContact NZ-OD1 3.88Å; K310-D314 IonicContact NZ-OD2 2.96Å; K310-D314 PolarHBondContact NZ-OD2 3.23Å; K310-D314 VanDerWaalsContact O-CG 3.31Å; K310-D314 PolarHBondContact O-N 3.17Å; I311-D314 PolarHBondContact O-N 3.06Å; D314-G317 PolarHBondContact O-N 3.13Å; D314-A318 VanDerWaalsContact O-CB 3.31Å; D314-A318 WeakPolarHBondContact O-CB 3.48Å; D314-A318 PolarHBondContact O-N 3.15Å
315V85Confident75.5Confident88 Ų8870.1 Ų70.153%0.53342%0.424SS..Hα-helixtrans-65.1-40.2176.3172.50000111.8I311 R313 T319I311-V315 HydrophobicContact CG2-CG2 4.38Å; I311-V315 VanDerWaalsContact O-CG2 3.31Å; I311-V315 WeakPolarHBondContact O-CG2 3.37Å; I311-V315 PolarHBondContact O-N 3Å; R313-V315 VanDerWaalsContact C-N 3.33Å; R313-V315 PolarHBondContact O-N 3.47Å; V315-T319 PolarHBondContact O-N 2.72Å; V315-T319 PolarHBondContact O-OG1 2.72Å; V315-T319 VanDerWaalsContact O-OG1 3.11Å
316A84.1Confident72.6Confident51 Ų5175.4 Ų75.442%0.42144%0.443SS..Hα-helixtrans-65.1-45175.100000111.7A312 R313 A318 T319 W320A312-A316 WeakPolarHBondContact O-CB 3.32Å; A312-A316 PolarHBondContact O-N 3.43Å; R313-A316 PolarHBondContact O-N 3.21Å; A316-A318 PolarHBondContact O-N 3.26Å; A316-T319 PolarHBondContact O-N 3.32Å; A316-T319 PolarHBondContact O-OG1 2.81Å; A316-W320 PolarHBondContact O-N 3.44Å
317G78.5Confident70Confident36 Ų3682.3 Ų82.337%0.37147%0.471SS..Hα-helixtrans-62.5-40176.400000113.1R313 D314 T319 W320 G321R313-G317 PolarHBondContact O-N 2.72Å; D314-G317 PolarHBondContact O-N 3.13Å; G317-T319 VanDerWaalsContact C-N 3.31Å; G317-T319 PolarHBondContact O-N 3.05Å; G317-W320 PolarHBondContact O-N 3Å; G317-G321 PolarHBondContact O-N 3.21Å; G317-G321 VanDerWaalsContact O-N 3.08Å
318A74.9Confident67.2Low26 Ų2688.8 Ų88.822%0.21550%0.502CS..Hα-helixtrans-66.6-28.5178.300000113.8R283 D314 A316R283-A318 HydrophobicContact CG-CB 4.08Å; D314-A318 VanDerWaalsContact O-CB 3.31Å; D314-A318 WeakPolarHBondContact O-CB 3.48Å; D314-A318 PolarHBondContact O-N 3.15Å; A316-A318 PolarHBondContact O-N 3.26Å
319T66.9Low64.6Low97 Ų9791.6 Ų91.660%0.59552%0.519SS*.Hα-helixtrans-81.8-27.7179.245.50000113.1V315 A316 G317V315-T319 PolarHBondContact O-N 2.72Å; V315-T319 PolarHBondContact O-OG1 2.72Å; V315-T319 VanDerWaalsContact O-OG1 3.11Å; A316-T319 PolarHBondContact O-N 3.32Å; A316-T319 PolarHBondContact O-OG1 2.81Å; G317-T319 VanDerWaalsContact C-N 3.31Å; G317-T319 PolarHBondContact O-N 3.05Å
320W55.1Low62.2Low232 Ų23291.7 Ų91.788%0.87952%0.52SS*.Hα-helixtrans-95-23.2-177.6-70.828.4000113.1A316 G317 N322A316-W320 PolarHBondContact O-N 3.44Å; G317-W320 PolarHBondContact O-N 3Å; W320-N322 VanDerWaalsContact C-N 3.25Å; W320-N322 PolarHBondContact O-N 2.85Å
321G49.5Very low59.8Low24 Ų2498.8 Ų98.825%0.24755%0.553CS.*  trans-75.725.9-172.900000117.9G317 G323G317-G321 PolarHBondContact O-N 3.21Å; G317-G321 VanDerWaalsContact O-N 3.08Å; G321-G323 PolarHBondContact O-N 3.29Å
322N46.5Very low57.6Low79 Ų79106 Ų10642%0.42259%0.592SS.*  trans-83.27.9174.1-9821.7000113.9W320 P548W320-N322 VanDerWaalsContact C-N 3.25Å; W320-N322 PolarHBondContact O-N 2.85Å; N322-P548 PolarHBondContact ND2-O 3.45Å
323G36.4Very low55.5Low56 Ų56104.3 Ų104.358%0.57758%0.58SS**SBendtrans-89.1119.4174.200000112.4G321G321-G323 PolarHBondContact O-N 3.29Å
324S36.6Very low53.6Low112 Ų112101.9 Ų101.978%0.78358%0.583SS**  trans24.4101.7156.5580000118.5E326S324-E326 VanDerWaalsContact C-N 3.3Å; S324-E326 PolarHBondContact O-N 3.4Å
325G41.6Very low51.9Low89 Ų89104.9 Ų104.992%0.91861%0.612SS**  670.9109.600000121.4
326E34.5Very low50.7Low161 Ų161102 Ų10275%0.75260%0.595SS**  trans-116.2119.6173.3-67.6-176.2-178.400109.5S324 E328S324-E326 VanDerWaalsContact C-N 3.3Å; S324-E326 PolarHBondContact O-N 3.4Å; E326-E328 PolarHBondContact O-N 3.36Å
327E39.9Very low50Low178 Ų178104 Ų10483%0.83260%0.598SS**  trans-61.175.9161.4-65.8173.9175.500107E329E327-E329 PolarHBondContact O-N 2.99Å
328E36.8Very low49.3Very low137 Ų137105.1 Ų105.164%0.6460%0.598SS**  trans-6195.6149.9-71.7-177173.400103.8E326 E330E326-E328 PolarHBondContact O-N 3.36Å; E328-E330 PolarHBondContact O-N 2.88Å
329E41.3Very low48.9Very low160 Ų160107.5 Ų107.575%0.74861%0.605SS**  trans-47.894.6155.8-69.3177.6170.200104.7E327 E331E327-E329 PolarHBondContact O-N 2.99Å; E329-E331 PolarHBondContact O-N 3.38Å
330E44Very low48.4Very low129 Ų129109.8 Ų109.860%0.60361%0.608SS**  trans-66.377.9169.6-78.9-176.6-175.800106.1E328 D332E328-E330 PolarHBondContact O-N 2.88Å; E330-D332 PolarHBondContact O-N 2.7Å
331E43.3Very low48.2Very low167 Ų167101.8 Ų101.878%0.7858%0.581SS**THydrogen-bonded Turntrans-62.8-18.9166.8-101-170.8154.100110.5E329 G333E329-E331 PolarHBondContact O-N 3.38Å; E331-G333 PolarHBondContact O-N 3.36Å
332D45.3Very low48.1Very low166 Ų166104.3 Ų104.389%0.88859%0.591SS**THydrogen-bonded Turntrans-92.416.9-173.3-76.8-28.5000115.4E330E330-D332 PolarHBondContact O-N 2.7Å
333G47.2Very low48.2Very low26 Ų26102.5 Ų102.527%0.26858%0.582SS.*SBendtrans-73.1145.4162.400000110.4E331 A335E331-G333 PolarHBondContact O-N 3.36Å; G333-A335 PolarHBondContact O-N 2.74Å; G333-A335 VanDerWaalsContact O-N 3.15Å
334P50.6Low48.6Very low94 Ų94105.2 Ų105.261%0.6159%0.592SS**  trans-51.9130.8172.122-31.4000109V336 R383P334-V336 PolarHBondContact O-N 2.78Å; P334-R383 PolarHBondContact O-NH2 2.76Å
335A52.3Low48.8Very low94 Ų94102.9 Ų102.978%0.77758%0.579SS**  trans-52.7113.5179.500000108.4G333 L337G333-A335 PolarHBondContact O-N 2.74Å; G333-A335 VanDerWaalsContact O-N 3.15Å; A335-L337 PolarHBondContact O-N 3.49Å; A335-L337 VanDerWaalsContact O-N 3.1Å
336V60.4Low49.2Very low28 Ų28102.2 Ų102.217%0.1755%0.553CS.*  trans-72108.2171.51730000104.3P334 V338 V381 V385P334-V336 PolarHBondContact O-N 2.78Å; V336-V338 HydrophobicContact CG1-CG2 4.34Å; V336-V338 PolarHBondContact O-N 2.92Å; V336-V381 HydrophobicContact CG2-CG1 3.72Å; V336-V385 HydrophobicContact CB-CG1 4.3Å; V336-V385 HydrophobicContact CG1-CG1 4.39Å; V336-V385 HydrophobicContact CG2-CG1 4.37Å
337L67.7Low49.8Very low92 Ų92102 Ų10248%0.48255%0.552SS.*  trans-65.8109.8175.7-172.173.2000107.5A335 E339 F402A335-L337 PolarHBondContact O-N 3.49Å; A335-L337 VanDerWaalsContact O-N 3.1Å; L337-E339 HydrophobicContact CD2-CG 3.95Å; L337-E339 WeakPolarHBondContact CD2-OE1 3.38Å; L337-E339 HydrophobicContact CG-CG 4Å; L337-F402 HydrophobicContact CB-CB 4.46Å; L337-F402 HydrophobicContact CB-CD2 4.05Å; L337-F402 HydrophobicContact CD2-CD2 3.96Å; L337-F402 HydrophobicContact CD2-CE2 4.03Å; L337-F402 HydrophobicContact CG-CD2 4.4Å; L337-F402 PolarHBondContact O-N 3.31Å
338V64Low50.2Low61 Ų6195.5 Ų95.537%0.3753%0.526SS..EExtended strand (participates in β ladder)trans-96.2104.5172-175.40000107V336 Y401V336-V338 HydrophobicContact CG1-CG2 4.34Å; V336-V338 PolarHBondContact O-N 2.92Å; V338-Y401 HydrophobicContact CG1-CD1 4.17Å; V338-Y401 HydrophobicContact CG1-CE1 3.87Å; V338-Y401 HydrophobicContact CG2-CD1 3.91Å; V338-Y401 HydrophobicContact CG2-CE1 4.13Å
339E66.1Low50.7Low76 Ų7692.1 Ų92.136%0.35552%0.515SS..EExtended strand (participates in β ladder)trans-94.4110.7172.9-68.3-173.3173.900109.1L337 Q341 T400L337-E339 HydrophobicContact CD2-CG 3.95Å; L337-E339 WeakPolarHBondContact CD2-OE1 3.38Å; L337-E339 HydrophobicContact CG-CG 4Å; E339-Q341 PolarHBondContact O-N 3.26Å; E339-T400 PolarHBondContact N-O 3.39Å; E339-T400 PolarHBondContact O-N 2.98Å
340Q56.4Low51.1Low144 Ų14484.9 Ų84.967%0.67348%0.482SS*.  trans-84.3100.4162.5-67.8-174.81700108.2T342Q340-T342 PolarHBondContact O-N 3.01Å; Q340-T342 VanDerWaalsContact O-N 3.08Å
341Q52.8Low51.3Low64 Ų6484 Ų8430%0.29949%0.488SS..  trans-72.4103.2170.1-69.9-172.8-0.200108.5E339E339-Q341 PolarHBondContact O-N 3.26Å
342T46.2Very low51.7Low77 Ų7782 Ų8247%0.47249%0.487SS..  trans-76.4150.6167.954.60000110.3Q340 S344 A345Q340-T342 PolarHBondContact O-N 3.01Å; Q340-T342 VanDerWaalsContact O-N 3.08Å; T342-S344 PolarHBondContact O-N 3.01Å; T342-A345 PolarHBondContact O-N 3.38Å
343D49.2Very low52.6Low41 Ų4179.5 Ų79.522%0.21947%0.47CS..G310 helixtrans-52.6-21.1-172.8-65.98000116R80 A345 M346R80-D343 IonicContact CZ-OD2 3.4Å; R80-D343 VanDerWaalsContact CZ-OD2 3.24Å; R80-D343 IonicContact NH1-OD2 3.38Å; R80-D343 PolarHBondContact NH1-OD2 3.49Å; R80-D343 IonicContact NH2-OD2 3.75Å; R80-D343 PolarHBondContact NH2-OD2 3.37Å; D343-A345 PolarHBondContact O-N 3.43Å; D343-M346 WeakPolarHBondContact CA-SD 3.44Å; D343-M346 HydrophobicContact CB-CG 4.33Å; D343-M346 HydrophobicContact CB-SD 3.51Å; D343-M346 VanDerWaalsContact CB-SD 3.51Å; D343-M346 VanDerWaalsContact O-CB 3.23Å; D343-M346 WeakPolarHBondContact O-CB 3.27Å; D343-M346 PolarHBondContact O-N 3.46Å
344S44.2Very low54.1Low113 Ų11385 Ų8579%0.7949%0.489SS*.G310 helixtrans-67.1-20.2175.8-51.30000113T342T342-S344 PolarHBondContact O-N 3.01Å
345A41.4Very low55.8Low63 Ų6384 Ų8452%0.52147%0.473SS..G310 helixtrans-94.72.5170.900000113.1T342 D343 E347T342-A345 PolarHBondContact O-N 3.38Å; D343-A345 PolarHBondContact O-N 3.43Å; A345-E347 PolarHBondContact O-N 3.15Å
346M48.8Very low57.6Low76 Ų7681 Ų8137%0.37444%0.442SS..  trans-76.854.8175.6-73.6169.6139.200111.7D343 P348D343-M346 WeakPolarHBondContact CA-SD 3.44Å; D343-M346 HydrophobicContact CB-CG 4.33Å; D343-M346 HydrophobicContact CB-SD 3.51Å; D343-M346 VanDerWaalsContact CB-SD 3.51Å; D343-M346 VanDerWaalsContact O-CB 3.23Å; D343-M346 WeakPolarHBondContact O-CB 3.27Å; D343-M346 PolarHBondContact O-N 3.46Å; M346-P348 WeakPolarHBondContact O-CD 3.43Å
347E46.9Very low58.8Low155 Ų15585.5 Ų85.572%0.72446%0.459SS*.  trans-67.4124.4158-71.8-167.9171.900106.9A345 T349A345-E347 PolarHBondContact O-N 3.15Å; E347-T349 PolarHBondContact O-N 3.27Å
348P48.7Very low59.8Low42 Ų4287.9 Ų87.927%0.27347%0.472SS..  trans-65.9111.3-177.333.6-38.2000106.1W135 Y137 M346 G350W135-P348 HydrophobicContact CE3-CB 4.2Å; W135-P348 HydrophobicContact CE3-CG 4.13Å; W135-P348 HydrophobicContact CH2-CB 3.23Å; W135-P348 HydrophobicContact CH2-CG 3.54Å; W135-P348 VanDerWaalsContact CH2-O 3.27Å; W135-P348 WeakPolarHBondContact CH2-O 3.39Å; W135-P348 HydrophobicContact CZ2-CB 3.58Å; W135-P348 HydrophobicContact CZ2-CG 4.35Å; W135-P348 HydrophobicContact CZ3-CB 3.53Å; W135-P348 HydrophobicContact CZ3-CG 3.35Å; Y137-P348 WeakPolarHBondContact CE1-O 3.44Å; Y137-P348 PolarHBondContact OH-O 3.38Å; M346-P348 WeakPolarHBondContact O-CD 3.43Å; P348-G350 PolarHBondContact O-N 3.13Å; P348-G350 VanDerWaalsContact O-N 3.09Å
349T48.4Very low61.1Low67 Ų6787 Ų8741%0.41148%0.475SS..  trans-65113.9174.147.50000105.8R183 E347R183-T349 PolarHBondContact NH1-OG1 3.21Å; E347-T349 PolarHBondContact O-N 3.27Å
350G48.4Very low62.4Low7 Ų784.5 Ų84.57%0.07247%0.465CS..  trans-51.4164.4178.800000111.8Y137 P348 T352Y137-G350 VanDerWaalsContact CZ-N 3.33Å; Y137-G350 PolarHBondContact OH-N 3.02Å; P348-G350 PolarHBondContact O-N 3.13Å; P348-G350 VanDerWaalsContact O-N 3.09Å; G350-T352 PolarHBondContact O-N 3.34Å; G350-T352 PolarHBondContact O-OG1 3.13Å
351P49Very low64.3Low112 Ų11277.7 Ų77.773%0.72743%0.433SS*.SBendtrans-66.520.6-175.926.8-34.7000115Q353P351-Q353 VanDerWaalsContact C-N 3.26Å; P351-Q353 PolarHBondContact O-N 2.81Å
352T51.2Low66.3Low123 Ų12375 Ų7576%0.75542%0.422SS*.  trans-68.787.3167.7500000108.9G350 E354G350-T352 PolarHBondContact O-N 3.34Å; G350-T352 PolarHBondContact O-OG1 3.13Å; T352-E354 PolarHBondContact O-N 3.4Å
353Q63.7Low68.7Low114 Ų11471.4 Ų71.453%0.53340%0.399SS..  trans-72.359.3173.2-66.8-178.3-10.700110.8P351 R355P351-Q353 VanDerWaalsContact C-N 3.26Å; P351-Q353 PolarHBondContact O-N 2.81Å; Q353-R355 VanDerWaalsContact C-N 3.31Å; Q353-R355 PolarHBondContact O-N 2.89Å
354E79.4Confident71Confident141 Ų14169.4 Ų69.466%0.65939%0.389SS*.  trans-67.997.8166.2-173.4174.2-155.800107.9T352T352-E354 PolarHBondContact O-N 3.4Å
355R85.9Confident73.6Confident74 Ų7464 Ų6428%0.27935%0.351SS..THydrogen-bonded Turntrans-66.1141.7177.6-62.1-62.8-169.7116.514.4109.8D189 G217 L218 Q353 K357D189-R355 PolarHBondContact O-NH1 3.18Å; D189-R355 WeakPolarHBondContact OD1-CA 3.38Å; D189-R355 VanDerWaalsContact OD1-CD 3.29Å; D189-R355 WeakPolarHBondContact OD1-CD 3.14Å; G217-R355 PolarHBondContact O-NH2 3.02Å; L218-R355 VanDerWaalsContact CD2-NH1 3.27Å; Q353-R355 VanDerWaalsContact C-N 3.31Å; Q353-R355 PolarHBondContact O-N 2.89Å; R355-K357 VanDerWaalsContact C-N 3.25Å; R355-K357 PolarHBondContact O-N 2.92Å
356Y91.2Very high76.2Confident31 Ų3161 Ų6112%0.12233%0.326CS..THydrogen-bonded Turntrans58.337.7176.2-42.8-62.4000113.4D189 T298 K301 V302 D358 G359 V360 V361D189-Y356 HydrophobicContact CB-CD1 4.12Å; D189-Y356 HydrophobicContact CB-CE1 3.82Å; D189-Y356 PolarHBondContact OD1-N 3.06Å; T298-Y356 HydrophobicContact CG2-CE1 3.81Å; K301-Y356 HydrophobicContact CB-CD2 4Å; K301-Y356 HydrophobicContact CB-CE2 4.06Å; K301-Y356 HydrophobicContact CD-CD2 4.01Å; K301-Y356 HydrophobicContact CD-CE2 3.54Å; K301-Y356 HydrophobicContact CG-CE2 4.47Å; V302-Y356 HydrophobicContact CG2-CD1 3.38Å; V302-Y356 HydrophobicContact CG2-CD2 4.45Å; V302-Y356 HydrophobicContact CG2-CE1 4.13Å; V302-Y356 HydrophobicContact CG2-CG 3.55Å; Y356-D358 PolarHBondContact O-N 2.8Å; Y356-G359 WeakPolarHBondContact O-CA 3.47Å; Y356-G359 PolarHBondContact O-N 3.34Å; Y356-V360 CarbonylContact C-O 3.54Å; Y356-V360 VanDerWaalsContact CA-O 3.3Å; Y356-V360 WeakPolarHBondContact CA-O 3.48Å; Y356-V361 HydrophobicContact CD1-CB 4.03Å; Y356-V361 HydrophobicContact CD1-CG2 4.05Å; Y356-V361 HydrophobicContact CE1-CB 4.28Å; Y356-V361 HydrophobicContact CE1-CG2 3.85Å
357K85.3Confident78.5Confident123 Ų12357.4 Ų57.454%0.53531%0.308SS..G310 helixtrans-50134.9179.6-173.6-176.3172.7-177.90110.6R355 G359 V360R355-K357 VanDerWaalsContact C-N 3.25Å; R355-K357 PolarHBondContact O-N 2.92Å; K357-G359 PolarHBondContact O-N 2.87Å; K357-G359 VanDerWaalsContact O-N 3.12Å; K357-V360 PolarHBondContact O-N 3.47Å
358D87.6Confident80.9Confident142 Ų14250.3 Ų50.376%0.75928%0.275SS*.G310 helixtrans57.921.5-177.7-54.2-49000114.1Y356 V360Y356-D358 PolarHBondContact O-N 2.8Å; D358-V360 VanDerWaalsContact C-N 3.27Å; D358-V360 PolarHBondContact O-N 2.93Å
359G91.3Very high83.2Confident41 Ų4148.6 Ų48.642%0.42326%0.264SS..G310 helixtrans74.215.4-176.800000114V302 Y356 K357V302-G359 WeakPolarHBondContact CG1-O 3.39Å; Y356-G359 WeakPolarHBondContact O-CA 3.47Å; Y356-G359 PolarHBondContact O-N 3.34Å; K357-G359 PolarHBondContact O-N 2.87Å; K357-G359 VanDerWaalsContact O-N 3.12Å
360V93.8Very high85.4Confident25 Ų2547 Ų4715%0.15225%0.253CS..  trans-105.6125.9-178.1-177.10000110Y356 K357 D358 F402 P405 S406 K408Y356-V360 CarbonylContact C-O 3.54Å; Y356-V360 VanDerWaalsContact CA-O 3.3Å; Y356-V360 WeakPolarHBondContact CA-O 3.48Å; K357-V360 PolarHBondContact O-N 3.47Å; D358-V360 VanDerWaalsContact C-N 3.27Å; D358-V360 PolarHBondContact O-N 2.93Å; V360-F402 HydrophobicContact CG1-CE1 4.38Å; V360-P405 WeakPolarHBondContact CG2-O 3.45Å; V360-S406 CarbonylContact C-O 3.55Å; V360-S406 WeakPolarHBondContact CA-O 3.42Å; V360-K408 HydrophobicContact CG1-CB 3.84Å
361V96Very high87.7Confident0 Ų046.7 Ų46.70%025%0.25CC..EExtended strand (participates in β ladder)trans-82.9128.5169.963.20000110.7D189 I190 T298 V302 L304 Y356 I363 S406 V407 K408D189-V361 HydrophobicContact CB-CG2 4.04Å; I190-V361 HydrophobicContact CD1-CG2 3.97Å; I190-V361 HydrophobicContact CG1-CG2 4.24Å; T298-V361 HydrophobicContact CG2-CG2 4.31Å; V302-V361 HydrophobicContact CB-CB 4.46Å; V302-V361 HydrophobicContact CG1-CB 4.13Å; V302-V361 HydrophobicContact CG1-CG1 4.04Å; V302-V361 HydrophobicContact CG2-CB 4.16Å; L304-V361 HydrophobicContact CD2-CG1 3.96Å; Y356-V361 HydrophobicContact CD1-CB 4.03Å; Y356-V361 HydrophobicContact CD1-CG2 4.05Å; Y356-V361 HydrophobicContact CE1-CB 4.28Å; Y356-V361 HydrophobicContact CE1-CG2 3.85Å; V361-I363 HydrophobicContact CG2-CG1 4.23Å; V361-S406 WeakPolarHBondContact CG1-O 3.46Å; V361-S406 PolarHBondContact N-O 2.74Å; V361-V407 HydrophobicContact CG1-CB 4.29Å; V361-V407 HydrophobicContact CG1-CG1 4.23Å; V361-V407 HydrophobicContact CG1-CG2 3.9Å; V361-K408 PolarHBondContact O-N 3.23Å
362T95.8Very high89.8Confident9 Ų942 Ų426%0.05522%0.221CC..EExtended strand (participates in β ladder)trans-99.8119.9174-54.30000110.9M187 D189 I190 K408 C410M187-T362 HydrophobicContact CB-CG2 4.47Å; M187-T362 WeakPolarHBondContact O-CB 3.43Å; M187-T362 WeakPolarHBondContact O-CG2 3.36Å; D189-T362 WeakPolarHBondContact CB-O 3.41Å; D189-T362 PolarHBondContact N-O 2.82Å; D189-T362 PolarHBondContact OD2-N 2.97Å; I190-T362 PolarHBondContact N-O 3Å; I190-T362 VanDerWaalsContact N-O 3.14Å; T362-K408 CarbonylContact C-O 3.57Å; T362-K408 WeakPolarHBondContact CA-O 3.47Å; T362-K408 WeakPolarHBondContact OG1-CE 3.45Å; T362-K408 PolarHBondContact OG1-NZ 2.63Å; T362-C410 WeakPolarHBondContact CG2-SG 3.46Å
363I97.4Very high92Very high0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-110.8110.1-178.8-57.4178.3000109I190 L192 W307 V361 V407 K408 L409 C410I190-I363 HydrophobicContact CB-CG1 4.47Å; I190-I363 CarbonylContact O-C 3.58Å; I190-I363 WeakPolarHBondContact O-CA 3.34Å; L192-I363 HydrophobicContact CD1-CG2 3.54Å; L192-I363 HydrophobicContact CD2-CG2 3.76Å; L192-I363 HydrophobicContact CG-CG2 3.37Å; W307-I363 HydrophobicContact CH2-CD1 4.01Å; W307-I363 HydrophobicContact CZ3-CD1 3.96Å; V361-I363 HydrophobicContact CG2-CG1 4.23Å; I363-V407 HydrophobicContact CD1-CG1 3.88Å; I363-K408 PolarHBondContact N-O 2.77Å; I363-L409 HydrophobicContact CB-CD2 3.93Å; I363-L409 HydrophobicContact CD1-CD2 4.22Å; I363-L409 HydrophobicContact CG2-CD2 4.23Å; I363-L409 CarbonylContact O-C 3.58Å; I363-L409 WeakPolarHBondContact O-CA 3.45Å; I363-C410 PolarHBondContact O-N 3.43Å
364G97Very high93.4Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-92120.4179.900000113.5S188 I190 V191 L192S188-G364 WeakPolarHBondContact OG-CA 3.43Å; S188-G364 PolarHBondContact OG-N 2.85Å; I190-G364 PolarHBondContact O-N 2.82Å; V191-G364 CarbonylContact C-O 3.56Å; V191-G364 WeakPolarHBondContact CA-O 3.33Å; L192-G364 PolarHBondContact N-O 2.69Å
365C97.7Very high94.1Very high0 Ų026.3 Ų26.30%014%0.144CC..EExtended strand (participates in β ladder)trans-87.1117.2176.5-64.10000110.9I194 K373 C410 C412I194-C365 HydrophobicContact CD1-CB 3.76Å; C365-K373 HydrophobicContact CB-CD 3.92Å; C365-K373 HydrophobicContact CB-CG 3.83Å; C365-C410 VanDerWaalsContact CB-O 3.3Å; C365-C410 WeakPolarHBondContact CB-O 3.31Å; C365-C410 PolarHBondContact N-O 2.64Å; C365-C412 PolarHBondContact O-SG 3.19Å
366V97.4Very high94.6Very high0 Ų022.8 Ų22.80%013%0.13CC..EExtended strand (participates in β ladder)trans-122.6143.7176.9-178.60000109.3L181 V184 V191 L192 L193 I194 L208 L415L181-V366 HydrophobicContact CD1-CG1 3.91Å; L181-V366 HydrophobicContact CD1-CG2 4.08Å; V184-V366 HydrophobicContact CG1-CG2 3.76Å; V191-V366 HydrophobicContact CG1-CB 4.38Å; V191-V366 HydrophobicContact CG1-CG2 4.01Å; L192-V366 PolarHBondContact O-N 3.2Å; L192-V366 VanDerWaalsContact O-O 3.09Å; L193-V366 WeakPolarHBondContact CA-O 3.46Å; I194-V366 PolarHBondContact N-O 2.93Å; L208-V366 HydrophobicContact CD2-CG1 3.9Å; V366-L415 HydrophobicContact CG1-CD1 3.82Å
367G96.9Very high94.7Very high0 Ų021.3 Ų21.30%013%0.125CC..EExtended strand (participates in β ladder)trans174.6173.917500000113.2G414 L415G367-G414 WeakPolarHBondContact O-CA 3.43Å; G367-L415 PolarHBondContact O-N 3.14Å
368F97.1Very high95.1Very high5 Ų515.5 Ų15.52%0.02210%0.099CC..  trans-70.7162.2174.6-79.1-108.8000111.3Y121 N203 P205 V371 L415 I416 F417 I431Y121-F368 WeakPolarHBondContact OH-CZ 3.31Å; N203-F368 HydrophobicContact CB-CD2 3.94Å; N203-F368 HydrophobicContact CB-CG 4.39Å; N203-F368 WeakPolarHBondContact O-CD2 3.03Å; N203-F368 WeakPolarHBondContact O-CE2 3.31Å; P205-F368 HydrophobicContact CG-CE2 4.27Å; F368-V371 HydrophobicContact CB-CG1 3.77Å; F368-V371 WeakPolarHBondContact O-CG2 3.49Å; F368-L415 WeakPolarHBondContact CA-O 3.46Å; F368-L415 WeakPolarHBondContact CD1-O 3.33Å; F368-L415 WeakPolarHBondContact CG-O 3.15Å; F368-I416 HydrophobicContact CD1-CG2 4.46Å; F368-I416 HydrophobicContact CE1-CG2 4.19Å; F368-F417 HydrophobicContact CE1-CD2 4.34Å; F368-F417 AromaticContact CE2-CD2 3.66Å; F368-F417 HydrophobicContact CE2-CD2 3.66Å; F368-F417 HydrophobicContact CE2-CE2 4.21Å; F368-F417 HydrophobicContact CZ-CB 3.97Å; F368-F417 AromaticContact CZ-CD2 3.53Å; F368-F417 HydrophobicContact CZ-CD2 3.53Å; F368-F417 HydrophobicContact CZ-CE2 4.49Å; F368-F417 HydrophobicContact CZ-CG 4.14Å; F368-I431 HydrophobicContact CD1-CD1 3.79Å; F368-I431 HydrophobicContact CD1-CG1 4.2Å; F368-I431 HydrophobicContact CD1-CG2 4.44Å; F368-I431 HydrophobicContact CE1-CD1 4.33Å
369P95.8Very high95.3Very high6 Ų68.9 Ų8.94%0.0396%0.064CC..THydrogen-bonded Turntrans-53.5148.4168.7-24.534.6000111.8V371 P392 I416P369-V371 PolarHBondContact O-N 3.42Å; P369-P392 HydrophobicContact CB-CB 3.78Å; P369-P392 HydrophobicContact CB-CG 4.24Å; P369-P392 HydrophobicContact CG-CB 4.32Å; P369-I416 HydrophobicContact CG-CD1 3.76Å; P369-I416 HydrophobicContact CG-CG1 3.72Å
370N95.1Very high95.4Very high33 Ų337 Ų718%0.1765%0.045CC..THydrogen-bonded Turntrans59.76.6174.8-69.7-27000117.6K226 G372 S389 R390 G430K226-N370 WeakPolarHBondContact CE-O 3.46Å; K226-N370 PolarHBondContact NZ-O 2.66Å; N370-G372 PolarHBondContact O-N 3.4Å; N370-G372 VanDerWaalsContact O-N 3.1Å; N370-S389 PolarHBondContact OD1-O 3.26Å; N370-R390 PolarHBondContact ND2-O 2.87Å; N370-R390 PolarHBondContact OD1-O 3.39Å; N370-G430 PolarHBondContact ND2-O 3.01Å
371V96.7Very high95.3Very high2 Ų26.2 Ų6.21%0.0124%0.04CC..SBendtrans-67.1-8.1170.6-590000113.2I194 N203 N225 F368 P369 K373I194-V371 HydrophobicContact CB-CG2 4.08Å; I194-V371 HydrophobicContact CG2-CB 4.32Å; I194-V371 HydrophobicContact CG2-CG2 3.79Å; I194-V371 WeakPolarHBondContact O-CG2 3.5Å; N203-V371 HydrophobicContact CB-CG1 4.16Å; N225-V371 PolarHBondContact ND2-O 2.93Å; F368-V371 HydrophobicContact CB-CG1 3.77Å; F368-V371 WeakPolarHBondContact O-CG2 3.49Å; P369-V371 PolarHBondContact O-N 3.42Å; V371-K373 HydrophobicContact CG2-CB 4.31Å
372G94.6Very high94.9Very high12 Ų126.8 Ų6.812%0.1245%0.046CC..SBendtrans90.72817800000114.3N225 N370 S375 L376N225-G372 WeakPolarHBondContact ND2-CA 3.5Å; N225-G372 PolarHBondContact ND2-O 3.39Å; N370-G372 PolarHBondContact O-N 3.4Å; N370-G372 VanDerWaalsContact O-N 3.1Å; G372-S375 CarbonylContact O-C 3.55Å; G372-S375 WeakPolarHBondContact O-CB 3.31Å; G372-S375 PolarHBondContact O-N 3.43Å; G372-L376 WeakPolarHBondContact O-CB 3.26Å; G372-L376 PolarHBondContact O-N 3.36Å
373K96Very high94.4Very high12 Ų1211 Ų115%0.0526%0.061CC..Hα-helixtrans-59.1-52.6179.4178.3176.956.851.30113.9I194 C365 V371 S375 L376 I377 D411 C412I194-K373 HydrophobicContact CD1-CB 4Å; I194-K373 HydrophobicContact CD1-CD 4.27Å; I194-K373 HydrophobicContact CD1-CG 3.65Å; C365-K373 HydrophobicContact CB-CD 3.92Å; C365-K373 HydrophobicContact CB-CG 3.83Å; V371-K373 HydrophobicContact CG2-CB 4.31Å; K373-S375 VanDerWaalsContact C-N 3.3Å; K373-S375 PolarHBondContact O-N 3.49Å; K373-L376 WeakPolarHBondContact O-CB 3.2Å; K373-L376 PolarHBondContact O-N 3.49Å; K373-L376 VanDerWaalsContact O-N 3.09Å; K373-I377 PolarHBondContact O-N 2.96Å; K373-I377 VanDerWaalsContact O-N 3.13Å; K373-D411 WeakPolarHBondContact CD-OD1 3.15Å; K373-D411 VanDerWaalsContact CE-OD1 3.27Å; K373-D411 WeakPolarHBondContact CE-OD1 3.5Å; K373-D411 WeakPolarHBondContact CG-OD1 3.49Å; K373-D411 IonicContact NZ-OD1 3.62Å; K373-D411 PolarHBondContact NZ-OD1 3.16Å; K373-D411 IonicContact NZ-OD2 2.95Å; K373-D411 PolarHBondContact NZ-OD2 3.35Å; K373-C412 WeakPolarHBondContact CE-O 3.31Å; K373-C412 PolarHBondContact NZ-O 3.19Å
374S94.2Very high93.8Very high14 Ų1416 Ų1610%0.0988%0.082CC..Hα-helixtrans-67.6-32.9178-45.50000111.8L376 I377 N378 V386 T395S374-L376 VanDerWaalsContact C-N 3.33Å; S374-I377 WeakPolarHBondContact O-CB 3.34Å; S374-I377 PolarHBondContact O-N 2.97Å; S374-N378 PolarHBondContact O-N 3.27Å; S374-N378 VanDerWaalsContact O-N 3.09Å; S374-V386 VanDerWaalsContact O-CG1 3.32Å; S374-V386 WeakPolarHBondContact O-CG1 3.29Å; S374-T395 PolarHBondContact OG-OG1 3.3Å
375S93.4Very high93.4Very high24 Ų2417.6 Ų17.617%0.1689%0.092CC..Hα-helixtrans-65.5-35.7170.6-54.20000112.2S256 W281 G372 K373 I377 N378 G379S256-S375 PolarHBondContact OG-O 3.22Å; W281-S375 WeakPolarHBondContact CZ3-O 3.46Å; G372-S375 CarbonylContact O-C 3.55Å; G372-S375 WeakPolarHBondContact O-CB 3.31Å; G372-S375 PolarHBondContact O-N 3.43Å; K373-S375 VanDerWaalsContact C-N 3.3Å; K373-S375 PolarHBondContact O-N 3.49Å; S375-I377 VanDerWaalsContact C-N 3.31Å; S375-N378 PolarHBondContact O-N 3.3Å; S375-G379 PolarHBondContact O-N 2.92Å
376L95.8Very high93Very high0 Ų018 Ų180%010%0.095CC..Hα-helixtrans-63.3-41.6174.3175150.8000110.3L192 I194 V223 F254 S256 G372 K373 S374 G379 L380L192-L376 HydrophobicContact CD1-CD2 4.47Å; I194-L376 HydrophobicContact CD1-CD1 4.45Å; I194-L376 HydrophobicContact CG1-CD1 4.24Å; I194-L376 HydrophobicContact CG2-CD1 4.5Å; V223-L376 HydrophobicContact CB-CD1 4.31Å; V223-L376 HydrophobicContact CG1-CD1 3.69Å; V223-L376 HydrophobicContact CG2-CD1 4.28Å; F254-L376 HydrophobicContact CD1-CB 4.45Å; F254-L376 HydrophobicContact CD1-CD1 4.06Å; F254-L376 HydrophobicContact CD1-CG 4.21Å; F254-L376 HydrophobicContact CD2-CD1 4.19Å; F254-L376 HydrophobicContact CD2-CG 4.48Å; F254-L376 HydrophobicContact CE1-CB 4.12Å; F254-L376 HydrophobicContact CE1-CD1 4.3Å; F254-L376 HydrophobicContact CE1-CG 3.94Å; F254-L376 HydrophobicContact CE2-CD1 4.42Å; F254-L376 HydrophobicContact CE2-CG 4.23Å; F254-L376 HydrophobicContact CG-CD1 4.02Å; F254-L376 HydrophobicContact CG-CG 4.49Å; F254-L376 HydrophobicContact CZ-CD1 4.48Å; F254-L376 HydrophobicContact CZ-CG 3.95Å; S256-L376 PolarHBondContact OG-N 3.29Å; G372-L376 WeakPolarHBondContact O-CB 3.26Å; G372-L376 PolarHBondContact O-N 3.36Å; K373-L376 WeakPolarHBondContact O-CB 3.2Å; K373-L376 PolarHBondContact O-N 3.49Å; K373-L376 VanDerWaalsContact O-N 3.09Å; S374-L376 VanDerWaalsContact C-N 3.33Å; L376-G379 CarbonylContact O-C 3.46Å; L376-G379 PolarHBondContact O-N 2.85Å; L376-G379 VanDerWaalsContact O-N 3.17Å; L376-L380 HydrophobicContact CD2-CD1 3.55Å; L376-L380 HydrophobicContact CD2-CG 4.09Å; L376-L380 HydrophobicContact CG-CD1 4.43Å; L376-L380 HydrophobicContact CG-CG 4.5Å; L376-L380 WeakPolarHBondContact O-CG 3.4Å; L376-L380 PolarHBondContact O-N 3.14Å
377I94.4Very high92.6Very high0 Ų021 Ų210%012%0.115CC..Hα-helixtrans-59.3-51.5175.5-65.8170.8000111K373 S374 S375 G379 L380 V381 V385 V386 Y401 L409 D411K373-I377 PolarHBondContact O-N 2.96Å; K373-I377 VanDerWaalsContact O-N 3.13Å; S374-I377 WeakPolarHBondContact O-CB 3.34Å; S374-I377 PolarHBondContact O-N 2.97Å; S375-I377 VanDerWaalsContact C-N 3.31Å; I377-G379 VanDerWaalsContact C-N 3.25Å; I377-G379 PolarHBondContact O-N 2.79Å; I377-L380 PolarHBondContact O-N 3.01Å; I377-V381 HydrophobicContact CG2-CG2 4.38Å; I377-V381 WeakPolarHBondContact O-CB 3.38Å; I377-V381 VanDerWaalsContact O-CG2 3.31Å; I377-V381 WeakPolarHBondContact O-CG2 3.41Å; I377-V381 PolarHBondContact O-N 3.02Å; I377-V385 HydrophobicContact CG2-CG2 4.25Å; I377-V386 HydrophobicContact CB-CG1 4.29Å; I377-V386 HydrophobicContact CG2-CG1 4.25Å; I377-Y401 HydrophobicContact CD1-CD2 4.24Å; I377-Y401 HydrophobicContact CD1-CE2 3.95Å; I377-Y401 HydrophobicContact CG2-CD1 4.39Å; I377-Y401 HydrophobicContact CG2-CD2 4.03Å; I377-Y401 HydrophobicContact CG2-CE2 4.24Å; I377-Y401 HydrophobicContact CG2-CG 4.12Å; I377-L409 HydrophobicContact CG2-CD1 4.45Å; I377-D411 HydrophobicContact CD1-CB 3.51Å; I377-D411 VanDerWaalsContact CD1-CG 3.43Å
378N92.7Very high92.3Very high0 Ų022.9 Ų22.90%013%0.127CC..Hα-helixtrans-58.6-37.8175.5-72.1-25.5000112.4W281 S374 S375 V381 G382 R383 V385 V386W281-N378 HydrophobicContact CD2-CB 3.61Å; W281-N378 HydrophobicContact CE3-CB 3.47Å; W281-N378 VanDerWaalsContact CE3-CB 3.47Å; W281-N378 HydrophobicContact CG-CB 4.44Å; W281-N378 HydrophobicContact CH2-CB 3.47Å; W281-N378 VanDerWaalsContact CH2-CB 3.47Å; W281-N378 HydrophobicContact CZ2-CB 3.6Å; W281-N378 WeakPolarHBondContact CZ2-ND2 3.41Å; W281-N378 HydrophobicContact CZ3-CB 3.43Å; W281-N378 VanDerWaalsContact CZ3-CB 3.43Å; S374-N378 PolarHBondContact O-N 3.27Å; S374-N378 VanDerWaalsContact O-N 3.09Å; S375-N378 PolarHBondContact O-N 3.3Å; N378-V381 PolarHBondContact O-N 3.16Å; N378-G382 PolarHBondContact O-N 3.4Å; N378-R383 PolarHBondContact O-N 3.38Å; N378-V385 WeakPolarHBondContact OD1-CG2 3.33Å; N378-V385 PolarHBondContact OD1-N 3.37Å; N378-V386 PolarHBondContact ND2-O 3.08Å; N378-V386 VanDerWaalsContact OD1-CG1 3.32Å; N378-V386 WeakPolarHBondContact OD1-CG1 3.23Å; N378-V386 PolarHBondContact OD1-N 3.09Å
379G92.6Very high92Very high3 Ų324.6 Ų24.63%0.03114%0.14CC..Hα-helixtrans-67.7-37176.300000113.5S375 L376 I377S375-G379 PolarHBondContact O-N 2.92Å; L376-G379 CarbonylContact O-C 3.46Å; L376-G379 PolarHBondContact O-N 2.85Å; L376-G379 VanDerWaalsContact O-N 3.17Å; I377-G379 VanDerWaalsContact C-N 3.25Å; I377-G379 PolarHBondContact O-N 2.79Å
380L93.4Very high91.6Very high2 Ų229 Ų291%0.0116%0.155CC..Hα-helixtrans-70-40.8173.7-70.3179.1000111.6F254 P287 L290 W307 K310 L376 I377 G382 L403 L409F254-L380 HydrophobicContact CE2-CD2 3.77Å; F254-L380 HydrophobicContact CE2-CG 4.3Å; F254-L380 HydrophobicContact CZ-CD2 4.19Å; F254-L380 HydrophobicContact CZ-CG 4.31Å; P287-L380 HydrophobicContact CB-CD2 4.12Å; P287-L380 HydrophobicContact CG-CD2 4.14Å; L290-L380 HydrophobicContact CD2-CD1 3.79Å; L290-L380 HydrophobicContact CD2-CD2 3.77Å; L290-L380 HydrophobicContact CD2-CG 4.43Å; W307-L380 HydrophobicContact CZ2-CD2 4.36Å; K310-L380 PolarHBondContact NZ-O 2.77Å; L376-L380 HydrophobicContact CD2-CD1 3.55Å; L376-L380 HydrophobicContact CD2-CG 4.09Å; L376-L380 HydrophobicContact CG-CD1 4.43Å; L376-L380 HydrophobicContact CG-CG 4.5Å; L376-L380 WeakPolarHBondContact O-CG 3.4Å; L376-L380 PolarHBondContact O-N 3.14Å; I377-L380 PolarHBondContact O-N 3.01Å; L380-G382 VanDerWaalsContact C-N 3.31Å; L380-L403 HydrophobicContact CB-CD1 4.44Å; L380-L403 HydrophobicContact CB-CD2 4.39Å; L380-L403 WeakPolarHBondContact O-CD1 3.41Å; L380-L409 HydrophobicContact CB-CD1 4.31Å; L380-L409 HydrophobicContact CD1-CD1 3.93Å; L380-L409 HydrophobicContact CD1-CD2 4.29Å
381V91.2Very high91.3Very high8 Ų829.2 Ų29.25%0.04816%0.158CC..Hα-helixtrans-70.8-29.6178.5172.20000111.5K310 V336 I377 N378 R383 V385 L403K310-V381 VanDerWaalsContact CE-O 3.25Å; K310-V381 WeakPolarHBondContact CE-O 3.21Å; K310-V381 VanDerWaalsContact NZ-C 3.28Å; K310-V381 PolarHBondContact NZ-O 2.7Å; V336-V381 HydrophobicContact CG2-CG1 3.72Å; I377-V381 HydrophobicContact CG2-CG2 4.38Å; I377-V381 WeakPolarHBondContact O-CB 3.38Å; I377-V381 VanDerWaalsContact O-CG2 3.31Å; I377-V381 WeakPolarHBondContact O-CG2 3.41Å; I377-V381 PolarHBondContact O-N 3.02Å; N378-V381 PolarHBondContact O-N 3.16Å; V381-R383 VanDerWaalsContact C-N 3.32Å; V381-R383 HydrophobicContact CG1-CG 3.81Å; V381-V385 HydrophobicContact CB-CG2 4.23Å; V381-V385 HydrophobicContact CG1-CG1 3.65Å; V381-V385 HydrophobicContact CG1-CG2 4.15Å; V381-V385 HydrophobicContact CG2-CG2 4.04Å; V381-L403 HydrophobicContact CG2-CD1 4.07Å
382G87.3Confident91Very high12 Ų1229.3 Ų29.312%0.12416%0.159CC..THydrogen-bonded Turntrans87.3-2.2179.800000113.9W281 T282 N378 L380W281-G382 WeakPolarHBondContact CB-O 3.33Å; T282-G382 WeakPolarHBondContact CG2-O 3.33Å; N378-G382 PolarHBondContact O-N 3.4Å; L380-G382 VanDerWaalsContact C-N 3.31Å
383R85.2Confident90.7Very high98 Ų9829.4 Ų29.437%0.3716%0.16SC..SBendtrans-145.9163.5175.659.5175.3-179137.5-9.4110.6P334 N378 V381 V385P334-R383 PolarHBondContact O-NH2 2.76Å; N378-R383 PolarHBondContact O-N 3.38Å; V381-R383 VanDerWaalsContact C-N 3.32Å; V381-R383 HydrophobicContact CG1-CG 3.81Å; R383-V385 HydrophobicContact CG-CG1 4.1Å; R383-V385 PolarHBondContact O-N 3.1Å
384K86.6Confident90.3Very high104 Ų10432.5 Ų32.545%0.45217%0.174SC..  trans-72.5107.2177.1-170.7177.4177.5-177.80109.2D575K384-D575 IonicContact NZ-OD2 3.27Å; K384-D575 PolarHBondContact NZ-OD2 2.67Å
385V88.3Confident90Very high35 Ų3532.4 Ų32.421%0.21217%0.173CC..  trans-114.5-22.2174-65.10000113.1V336 I377 N378 V381 R383 Y401V336-V385 HydrophobicContact CB-CG1 4.3Å; V336-V385 HydrophobicContact CG1-CG1 4.39Å; V336-V385 HydrophobicContact CG2-CG1 4.37Å; I377-V385 HydrophobicContact CG2-CG2 4.25Å; N378-V385 WeakPolarHBondContact OD1-CG2 3.33Å; N378-V385 PolarHBondContact OD1-N 3.37Å; V381-V385 HydrophobicContact CB-CG2 4.23Å; V381-V385 HydrophobicContact CG1-CG1 3.65Å; V381-V385 HydrophobicContact CG1-CG2 4.15Å; V381-V385 HydrophobicContact CG2-CG2 4.04Å; R383-V385 HydrophobicContact CG-CG1 4.1Å; R383-V385 PolarHBondContact O-N 3.1Å; V385-Y401 HydrophobicContact CG2-CD1 4.12Å; V385-Y401 HydrophobicContact CG2-CE1 4.23Å
386V88.6Confident89.4Confident8 Ų833.9 Ų33.95%0.04818%0.175CC..SBendtrans-124.1140.3175.762.90000110.2S374 I377 N378 Y401S374-V386 VanDerWaalsContact O-CG1 3.32Å; S374-V386 WeakPolarHBondContact O-CG1 3.29Å; I377-V386 HydrophobicContact CB-CG1 4.29Å; I377-V386 HydrophobicContact CG2-CG1 4.25Å; N378-V386 PolarHBondContact ND2-O 3.08Å; N378-V386 VanDerWaalsContact OD1-CG1 3.32Å; N378-V386 WeakPolarHBondContact OD1-CG1 3.23Å; N378-V386 PolarHBondContact OD1-N 3.09Å; V386-Y401 HydrophobicContact CB-CE1 4.21Å; V386-Y401 WeakPolarHBondContact CB-OH 3.44Å; V386-Y401 WeakPolarHBondContact CG2-OH 3.49Å
387S89.3Confident88.8Confident62 Ų6236.5 Ų36.543%0.43419%0.186SC..  trans-67.4143173.857.60000110.7H394S387-H394 WeakPolarHBondContact CB-NE2 3.41Å; S387-H394 PolarHBondContact O-CD2 3.41Å; S387-H394 PolarHBondContact O-NE2 3.14Å; S387-H394 PolarHBondContact OG-NE2 3.4Å
388V89.8Confident88.4Confident41 Ų4137 Ų3725%0.24819%0.188CC..  trans-122142.9179.9-60.40000108.7W281W281-V388 HydrophobicContact CH2-CG1 4.39Å
389S90.4Very high88.2Confident41 Ų4138.3 Ų38.329%0.28719%0.194SC..  trans-141156176.9178.70000110.1N370 T391 H394N370-S389 PolarHBondContact OD1-O 3.26Å; S389-T391 VanDerWaalsContact C-N 3.32Å; S389-T391 PolarHBondContact OG-N 3.43Å; S389-H394 VanDerWaalsContact CB-CG 3.42Å; S389-H394 WeakPolarHBondContact CB-ND1 3.26Å
390R87.8Confident88.2Confident97 Ų9738.3 Ų38.337%0.36619%0.193SC..SBendtrans-84.9-10.3170-58.8176.5-171.6-78.21.9111.9N370 P392 D511N370-R390 PolarHBondContact ND2-O 2.87Å; N370-R390 PolarHBondContact OD1-O 3.39Å; R390-P392 WeakPolarHBondContact O-CD 3.49Å; R390-D511 VanDerWaalsContact CD-OD1 3.27Å; R390-D511 WeakPolarHBondContact CD-OD1 3.4Å; R390-D511 VanDerWaalsContact CZ-CG 3.4Å; R390-D511 IonicContact CZ-OD1 2.66Å; R390-D511 IonicContact CZ-OD2 3.44Å; R390-D511 VanDerWaalsContact CZ-OD2 3.3Å; R390-D511 IonicContact NE-OD1 2.56Å; R390-D511 PolarHBondContact NE-OD1 3.42Å; R390-D511 IonicContact NE-OD2 2.75Å; R390-D511 IonicContact NH1-OD1 3.92Å; R390-D511 PolarHBondContact NH1-OD1 3.32Å; R390-D511 IonicContact NH1-OD2 3.85Å; R390-D511 PolarHBondContact NH1-OD2 3.3Å; R390-D511 IonicContact NH2-OD2 3.8Å
391T90Very high88.1Confident39 Ų3938.2 Ų38.224%0.23919%0.193CC..SBendtrans-86.6121.7179.8-62.70000109.3S389 D571S389-T391 VanDerWaalsContact C-N 3.32Å; S389-T391 PolarHBondContact OG-N 3.43Å; T391-D571 PolarHBondContact OG1-OD2 2.92Å
392P90.6Very high88.2Confident4 Ų440.3 Ų40.33%0.02620%0.201CC..THydrogen-bonded Turntrans-54.8142.6174.2-29.338.6000112.5N64 L83 P369 R390 G430 I431N64-P392 PolarHBondContact ND2-O 2.95Å; L83-P392 HydrophobicContact CD1-CB 3.89Å; P369-P392 HydrophobicContact CB-CB 3.78Å; P369-P392 HydrophobicContact CB-CG 4.24Å; P369-P392 HydrophobicContact CG-CB 4.32Å; R390-P392 WeakPolarHBondContact O-CD 3.49Å; P392-G430 VanDerWaalsContact CG-O 3.25Å; P392-G430 WeakPolarHBondContact CG-O 3.45Å; P392-I431 WeakPolarHBondContact CG-O 3.4Å
393G87.1Confident88.5Confident14 Ų1440.3 Ų40.314%0.14420%0.198CC..THydrogen-bonded Turntrans84.517.7-179.200000114.8R396G393-R396 WeakPolarHBondContact O-CG 3.41Å
394H87.3Confident88.8Confident76 Ų7636.2 Ų36.235%0.35218%0.184SC..  trans-66.4-57174.7-174.272.5000112.7S387 S389 R396S387-H394 WeakPolarHBondContact CB-NE2 3.41Å; S387-H394 PolarHBondContact O-CD2 3.41Å; S387-H394 PolarHBondContact O-NE2 3.14Å; S387-H394 PolarHBondContact OG-NE2 3.4Å; S389-H394 VanDerWaalsContact CB-CG 3.42Å; S389-H394 WeakPolarHBondContact CB-ND1 3.26Å; H394-R396 PolarHBondContact O-N 3.24Å
395T87.5Confident89Confident13 Ų1336.7 Ų36.78%0.0820%0.198CC..  trans-71.2115.8168-57.20000108.3S374 C412 P413S374-T395 PolarHBondContact OG-OG1 3.3Å; T395-C412 WeakPolarHBondContact CG2-O 3.45Å; T395-P413 VanDerWaalsContact O-CA 3.27Å; T395-P413 WeakPolarHBondContact O-CA 3.38Å; T395-P413 VanDerWaalsContact O-CB 3.28Å; T395-P413 WeakPolarHBondContact O-CB 3.27Å
396R81.9Confident89.3Confident54 Ų5435.7 Ų35.720%0.20419%0.192CC..  trans-108.2-33.4-179-64.7179.8-163.81769.3113.2Q66 P78 G393 H394Q66-R396 VanDerWaalsContact NE2-NH2 3.12Å; P78-R396 PolarHBondContact O-NH1 3.33Å; G393-R396 WeakPolarHBondContact O-CG 3.41Å; H394-R396 PolarHBondContact O-N 3.24Å
397Y82.3Confident89.6Confident56 Ų5635.3 Ų35.322%0.2219%0.19CC..SBendtrans-112.8147.2-173.3-58.4-87.2000110.7Y76 Y81 Q399Y76-Y397 AromaticContact CE2-CE1 3.8Å; Y76-Y397 HydrophobicContact CE2-CE1 3.8Å; Y76-Y397 HydrophobicContact CE2-CE2 4.39Å; Y76-Y397 AromaticContact CE2-CZ 3.51Å; Y76-Y397 WeakPolarHBondContact CE2-OH 3.46Å; Y76-Y397 AromaticContact CZ-CZ 3.75Å; Y76-Y397 WeakPolarHBondContact OH-CE2 3.49Å; Y76-Y397 PolarHBondContact OH-OH 2.87Å; Y81-Y397 HydrophobicContact CD2-CD1 4.09Å; Y81-Y397 AromaticContact CD2-CE1 3.42Å; Y81-Y397 HydrophobicContact CD2-CE1 3.42Å; Y81-Y397 VanDerWaalsContact CD2-CE1 3.42Å; Y81-Y397 AromaticContact CD2-CZ 3.57Å; Y81-Y397 WeakPolarHBondContact CD2-OH 3.47Å; Y81-Y397 AromaticContact CE2-CD1 3.73Å; Y81-Y397 HydrophobicContact CE2-CD1 3.73Å; Y81-Y397 AromaticContact CE2-CE1 3.15Å; Y81-Y397 HydrophobicContact CE2-CE1 3.15Å; Y81-Y397 AromaticContact CE2-CZ 3.81Å; Y397-Q399 PolarHBondContact O-N 2.92Å; Y397-Q399 PolarHBondContact O-NE2 3.46Å
398F87.5Confident89.9Confident10 Ų1034.4 Ų34.44%0.04418%0.178CC..  trans-55.1130.3163.9178-89.9000110.7R183 V184 M187 T400 C410 D411R183-F398 HydrophobicContact CG-CD2 4.41Å; R183-F398 HydrophobicContact CG-CG 4.49Å; V184-F398 HydrophobicContact CG2-CD2 3.72Å; V184-F398 HydrophobicContact CG2-CE2 3.78Å; M187-F398 HydrophobicContact CE-CD1 4.15Å; M187-F398 HydrophobicContact CE-CD2 4.02Å; M187-F398 HydrophobicContact CE-CE1 3.41Å; M187-F398 VanDerWaalsContact CE-CE1 3.41Å; M187-F398 HydrophobicContact CE-CE2 3.22Å; M187-F398 HydrophobicContact CE-CG 4.43Å; M187-F398 HydrophobicContact CE-CZ 2.92Å; M187-F398 HydrophobicContact SD-CE1 4.42Å; M187-F398 HydrophobicContact SD-CZ 4.21Å; F398-T400 WeakPolarHBondContact CE1-OG1 3.23Å; F398-T400 WeakPolarHBondContact CZ-OG1 3.42Å; F398-C410 HydrophobicContact CE2-CB 3.61Å; F398-C410 HydrophobicContact CZ-CB 3.56Å; F398-D411 VanDerWaalsContact CA-O 3.26Å; F398-D411 WeakPolarHBondContact CA-O 3.47Å; F398-D411 WeakPolarHBondContact CD2-O 3.34Å
399Q88.4Confident90.2Very high28 Ų2832.4 Ų32.413%0.13117%0.166CC..EExtended strand (participates in β ladder)trans-133.1146.6-177.7-74.2165.272.800110.4Y397 Y401 C410 D411Y397-Q399 PolarHBondContact O-N 2.92Å; Y397-Q399 PolarHBondContact O-NE2 3.46Å; Q399-Y401 HydrophobicContact CB-CE2 3.72Å; Q399-Y401 PolarHBondContact OE1-OH 2.61Å; Q399-C410 CarbonylContact O-C 3.53Å; Q399-C410 WeakPolarHBondContact O-CA 3.36Å; Q399-D411 HydrophobicContact CB-CB 4.37Å; Q399-D411 PolarHBondContact N-O 3.11Å; Q399-D411 PolarHBondContact O-N 2.71Å
400T91.5Very high90.4Very high2 Ų230.5 Ų30.51%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-123.9137.5179.5-67.50000111.1E339 F398 F402 K408 L409E339-T400 PolarHBondContact N-O 3.39Å; E339-T400 PolarHBondContact O-N 2.98Å; F398-T400 WeakPolarHBondContact CE1-OG1 3.23Å; F398-T400 WeakPolarHBondContact CZ-OG1 3.42Å; T400-F402 HydrophobicContact CG2-CE2 4.26Å; T400-K408 HydrophobicContact CG2-CD 3.59Å; T400-K408 HydrophobicContact CG2-CG 3.47Å; T400-K408 VanDerWaalsContact CG2-CG 3.47Å; T400-L409 WeakPolarHBondContact CA-O 3.44Å
401Y92Very high90.6Very high1 Ų125.9 Ų25.90%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-133.1126.9-179.2-49.8-94.5000109.7V338 I377 V385 V386 Q399 L403 L409 D411V338-Y401 HydrophobicContact CG1-CD1 4.17Å; V338-Y401 HydrophobicContact CG1-CE1 3.87Å; V338-Y401 HydrophobicContact CG2-CD1 3.91Å; V338-Y401 HydrophobicContact CG2-CE1 4.13Å; I377-Y401 HydrophobicContact CD1-CD2 4.24Å; I377-Y401 HydrophobicContact CD1-CE2 3.95Å; I377-Y401 HydrophobicContact CG2-CD1 4.39Å; I377-Y401 HydrophobicContact CG2-CD2 4.03Å; I377-Y401 HydrophobicContact CG2-CE2 4.24Å; I377-Y401 HydrophobicContact CG2-CG 4.12Å; V385-Y401 HydrophobicContact CG2-CD1 4.12Å; V385-Y401 HydrophobicContact CG2-CE1 4.23Å; V386-Y401 HydrophobicContact CB-CE1 4.21Å; V386-Y401 WeakPolarHBondContact CB-OH 3.44Å; V386-Y401 WeakPolarHBondContact CG2-OH 3.49Å; Q399-Y401 HydrophobicContact CB-CE2 3.72Å; Q399-Y401 PolarHBondContact OE1-OH 2.61Å; Y401-L403 PolarHBondContact O-N 3.25Å; Y401-L409 PolarHBondContact N-O 2.95Å; Y401-L409 PolarHBondContact O-N 3.34Å; Y401-D411 HydrophobicContact CE2-CB 4Å
402F92.8Very high90.6Very high52 Ų5224 Ų2423%0.22812%0.124CC..EExtended strand (participates in β ladder)trans-85.5107.2170.4-75.2-92.3000109.8L337 V360 T400 K408L337-F402 HydrophobicContact CB-CB 4.46Å; L337-F402 HydrophobicContact CB-CD2 4.05Å; L337-F402 HydrophobicContact CD2-CD2 3.96Å; L337-F402 HydrophobicContact CD2-CE2 4.03Å; L337-F402 HydrophobicContact CG-CD2 4.4Å; L337-F402 PolarHBondContact O-N 3.31Å; V360-F402 HydrophobicContact CG1-CE1 4.38Å; T400-F402 HydrophobicContact CG2-CE2 4.26Å; F402-K408 HydrophobicContact CD1-CB 4.31Å; F402-K408 HydrophobicContact CD1-CG 4.42Å; F402-K408 HydrophobicContact CE1-CB 4.15Å; F402-K408 HydrophobicContact CE1-CD 4.16Å; F402-K408 HydrophobicContact CE1-CG 4.12Å; F402-K408 HydrophobicContact CE2-CD 4.39Å; F402-K408 HydrophobicContact CE2-CG 4.42Å; F402-K408 HydrophobicContact CZ-CD 3.87Å; F402-K408 HydrophobicContact CZ-CG 4.13Å
403L92.7Very high90.6Very high12 Ų1224.1 Ų24.16%0.06313%0.125CC..EExtended strand (participates in β ladder)trans-72.7-39.5175.6179.360.1000110.8W307 K310 L380 V381 Y401 V407 L409W307-L403 HydrophobicContact CD2-CD2 3.99Å; W307-L403 HydrophobicContact CG-CD2 4.26Å; W307-L403 HydrophobicContact CH2-CD2 4.46Å; W307-L403 HydrophobicContact CZ2-CD2 3.66Å; W307-L403 VanDerWaalsContact NE1-CD2 3.31Å; K310-L403 HydrophobicContact CD-CD1 3.88Å; K310-L403 HydrophobicContact CD-CG 4.42Å; L380-L403 HydrophobicContact CB-CD1 4.44Å; L380-L403 HydrophobicContact CB-CD2 4.39Å; L380-L403 WeakPolarHBondContact O-CD1 3.41Å; V381-L403 HydrophobicContact CG2-CD1 4.07Å; Y401-L403 PolarHBondContact O-N 3.25Å; L403-V407 HydrophobicContact CB-CB 4.37Å; L403-V407 HydrophobicContact CB-CG1 4.21Å; L403-V407 HydrophobicContact CD2-CG1 4.16Å; L403-V407 PolarHBondContact N-O 3.12Å; L403-L409 HydrophobicContact CB-CD1 4.19Å; L403-L409 HydrophobicContact CB-CG 4.15Å; L403-L409 HydrophobicContact CD2-CD1 4.31Å
404T93.2Very high90.9Very high12 Ų1224 Ų247%0.07412%0.123CC..EExtended strand (participates in β ladder)trans-144.6170.6168.471.40000108.4S306 W307 S406 V407S306-T404 WeakPolarHBondContact OG-CB 3.44Å; S306-T404 PolarHBondContact OG-OG1 3.26Å; W307-T404 HydrophobicContact CB-CG2 3.87Å; W307-T404 HydrophobicContact CG-CG2 4.42Å; T404-S406 PolarHBondContact O-N 2.82Å; T404-S406 VanDerWaalsContact O-N 3.11Å; T404-S406 PolarHBondContact OG1-N 3.47Å; T404-S406 PolarHBondContact OG1-OG 3.26Å; T404-V407 PolarHBondContact N-O 3.2Å; T404-V407 PolarHBondContact O-N 2.93Å; T404-V407 VanDerWaalsContact O-N 3.14Å; T404-V407 VanDerWaalsContact O-O 3.1Å; T404-V407 WeakPolarHBondContact OG1-CB 3.5Å; T404-V407 WeakPolarHBondContact OG1-CG2 3.46Å; T404-V407 PolarHBondContact OG1-N 3.01Å
405P90.9Very high91.1Very high113 Ų11320.3 Ų20.373%0.73411%0.106SC*.THydrogen-bonded Turntrans-56.5-26.7176.1-27.436.7000114.3V360V360-P405 WeakPolarHBondContact CG2-O 3.45Å
406S93.7Very high91.5Very high15 Ų1519.8 Ų19.811%0.10510%0.103CC..THydrogen-bonded Turntrans-102.4-4.3179.757.60000114.3D303 S306 V360 V361 T404D303-S406 VanDerWaalsContact O-CB 3.3Å; D303-S406 WeakPolarHBondContact O-CB 3.46Å; D303-S406 PolarHBondContact O-OG 3.21Å; S306-S406 PolarHBondContact OG-OG 2.94Å; V360-S406 CarbonylContact C-O 3.55Å; V360-S406 WeakPolarHBondContact CA-O 3.42Å; V361-S406 WeakPolarHBondContact CG1-O 3.46Å; V361-S406 PolarHBondContact N-O 2.74Å; T404-S406 PolarHBondContact O-N 2.82Å; T404-S406 VanDerWaalsContact O-N 3.11Å; T404-S406 PolarHBondContact OG1-N 3.47Å; T404-S406 PolarHBondContact OG1-OG 3.26Å
407V95.8Very high92.2Very high0 Ų017.4 Ų17.40%09%0.094CC..EExtended strand (participates in β ladder)trans-128.8111.9-176.1-176.50000110.5L304 W307 V361 I363 L403 T404L304-V407 HydrophobicContact CD2-CG2 3.55Å; W307-V407 HydrophobicContact CB-CG2 4.3Å; W307-V407 HydrophobicContact CD2-CG2 4.35Å; W307-V407 HydrophobicContact CE3-CG1 4.06Å; W307-V407 HydrophobicContact CE3-CG2 3.82Å; W307-V407 HydrophobicContact CZ3-CG1 4.1Å; V361-V407 HydrophobicContact CG1-CB 4.29Å; V361-V407 HydrophobicContact CG1-CG1 4.23Å; V361-V407 HydrophobicContact CG1-CG2 3.9Å; I363-V407 HydrophobicContact CD1-CG1 3.88Å; L403-V407 HydrophobicContact CB-CB 4.37Å; L403-V407 HydrophobicContact CB-CG1 4.21Å; L403-V407 HydrophobicContact CD2-CG1 4.16Å; L403-V407 PolarHBondContact N-O 3.12Å; T404-V407 PolarHBondContact N-O 3.2Å; T404-V407 PolarHBondContact O-N 2.93Å; T404-V407 VanDerWaalsContact O-N 3.14Å; T404-V407 VanDerWaalsContact O-O 3.1Å; T404-V407 WeakPolarHBondContact OG1-CB 3.5Å; T404-V407 WeakPolarHBondContact OG1-CG2 3.46Å; T404-V407 PolarHBondContact OG1-N 3.01Å
408K95.3Very high92.9Very high42 Ų4214.7 Ų14.718%0.1838%0.083CC..EExtended strand (participates in β ladder)trans-107.2125.1178.8-171-17879.1-166.70110.1V360 V361 T362 I363 T400 F402V360-K408 HydrophobicContact CG1-CB 3.84Å; V361-K408 PolarHBondContact O-N 3.23Å; T362-K408 CarbonylContact C-O 3.57Å; T362-K408 WeakPolarHBondContact CA-O 3.47Å; T362-K408 WeakPolarHBondContact OG1-CE 3.45Å; T362-K408 PolarHBondContact OG1-NZ 2.63Å; I363-K408 PolarHBondContact N-O 2.77Å; T400-K408 HydrophobicContact CG2-CD 3.59Å; T400-K408 HydrophobicContact CG2-CG 3.47Å; T400-K408 VanDerWaalsContact CG2-CG 3.47Å; F402-K408 HydrophobicContact CD1-CB 4.31Å; F402-K408 HydrophobicContact CD1-CG 4.42Å; F402-K408 HydrophobicContact CE1-CB 4.15Å; F402-K408 HydrophobicContact CE1-CD 4.16Å; F402-K408 HydrophobicContact CE1-CG 4.12Å; F402-K408 HydrophobicContact CE2-CD 4.39Å; F402-K408 HydrophobicContact CE2-CG 4.42Å; F402-K408 HydrophobicContact CZ-CD 3.87Å; F402-K408 HydrophobicContact CZ-CG 4.13Å
409L95.8Very high93.3Very high0 Ų014.4 Ų14.40%08%0.082CC..EExtended strand (participates in β ladder)trans-97.6142172.6-55.4179.4000109.9I363 I377 L380 T400 Y401 L403I363-L409 HydrophobicContact CB-CD2 3.93Å; I363-L409 HydrophobicContact CD1-CD2 4.22Å; I363-L409 HydrophobicContact CG2-CD2 4.23Å; I363-L409 CarbonylContact O-C 3.58Å; I363-L409 WeakPolarHBondContact O-CA 3.45Å; I377-L409 HydrophobicContact CG2-CD1 4.45Å; L380-L409 HydrophobicContact CB-CD1 4.31Å; L380-L409 HydrophobicContact CD1-CD1 3.93Å; L380-L409 HydrophobicContact CD1-CD2 4.29Å; T400-L409 WeakPolarHBondContact CA-O 3.44Å; Y401-L409 PolarHBondContact N-O 2.95Å; Y401-L409 PolarHBondContact O-N 3.34Å; L403-L409 HydrophobicContact CB-CD1 4.19Å; L403-L409 HydrophobicContact CB-CG 4.15Å; L403-L409 HydrophobicContact CD2-CD1 4.31Å
410C93.4Very high93.7Very high0 Ų015.2 Ų15.20%09%0.087CC..EExtended strand (participates in β ladder)trans-126.9134.8178.1-650000110.1T362 I363 C365 F398 Q399T362-C410 WeakPolarHBondContact CG2-SG 3.46Å; I363-C410 PolarHBondContact O-N 3.43Å; C365-C410 VanDerWaalsContact CB-O 3.3Å; C365-C410 WeakPolarHBondContact CB-O 3.31Å; C365-C410 PolarHBondContact N-O 2.64Å; F398-C410 HydrophobicContact CE2-CB 3.61Å; F398-C410 HydrophobicContact CZ-CB 3.56Å; Q399-C410 CarbonylContact O-C 3.53Å; Q399-C410 WeakPolarHBondContact O-CA 3.36Å
411D93Very high93.9Very high0 Ų015.4 Ų15.40%09%0.088CC..EExtended strand (participates in β ladder)trans-120.4144.9-178.1-159.733.1000111.8K373 I377 F398 Q399 Y401K373-D411 WeakPolarHBondContact CD-OD1 3.15Å; K373-D411 VanDerWaalsContact CE-OD1 3.27Å; K373-D411 WeakPolarHBondContact CE-OD1 3.5Å; K373-D411 WeakPolarHBondContact CG-OD1 3.49Å; K373-D411 IonicContact NZ-OD1 3.62Å; K373-D411 PolarHBondContact NZ-OD1 3.16Å; K373-D411 IonicContact NZ-OD2 2.95Å; K373-D411 PolarHBondContact NZ-OD2 3.35Å; I377-D411 HydrophobicContact CD1-CB 3.51Å; I377-D411 VanDerWaalsContact CD1-CG 3.43Å; F398-D411 VanDerWaalsContact CA-O 3.26Å; F398-D411 WeakPolarHBondContact CA-O 3.47Å; F398-D411 WeakPolarHBondContact CD2-O 3.34Å; Q399-D411 HydrophobicContact CB-CB 4.37Å; Q399-D411 PolarHBondContact N-O 3.11Å; Q399-D411 PolarHBondContact O-N 2.71Å; Y401-D411 HydrophobicContact CE2-CB 4Å
412C90Very high94.1Very high0 Ų018 Ų180%011%0.105CC..  trans-127.9168.4172.963.50000112.7Q180 V184 C365 K373 T395Q180-C412 HydrophobicContact CB-CB 4.41Å; V184-C412 HydrophobicContact CG2-CB 3.47Å; V184-C412 VanDerWaalsContact CG2-CB 3.47Å; C365-C412 PolarHBondContact O-SG 3.19Å; K373-C412 WeakPolarHBondContact CE-O 3.31Å; K373-C412 PolarHBondContact NZ-O 3.19Å; T395-C412 WeakPolarHBondContact CG2-O 3.45Å
413P90.8Very high94.2Very high7 Ų716.3 Ų16.35%0.04510%0.097CC..  trans-52154.6164.121.6-35.4000112.7T177 Q180 T395T177-P413 HydrophobicContact CG2-CB 4.39Å; T177-P413 HydrophobicContact CG2-CG 4.2Å; Q180-P413 HydrophobicContact CB-CG 3.71Å; Q180-P413 HydrophobicContact CG-CG 3.77Å; T395-P413 VanDerWaalsContact O-CA 3.27Å; T395-P413 WeakPolarHBondContact O-CA 3.38Å; T395-P413 VanDerWaalsContact O-CB 3.28Å; T395-P413 WeakPolarHBondContact O-CB 3.27Å
414G92.5Very high94.4Very high10 Ų1017.7 Ų17.710%0.10310%0.103CC..  trans-67.1133.717100000110.4G367G367-G414 WeakPolarHBondContact O-CA 3.43Å
415L92.9Very high94.6Very high0 Ų017.2 Ų17.20%010%0.101CC..  trans-108.5134.2-173.5-56.1171.2000110.2T177 L181 V366 G367 F368 F417T177-L415 HydrophobicContact CG2-CD2 3.57Å; L181-L415 HydrophobicContact CB-CD1 3.62Å; L181-L415 HydrophobicContact CB-CD2 4.25Å; L181-L415 HydrophobicContact CD1-CD1 3.53Å; L181-L415 HydrophobicContact CD2-CD1 3.95Å; L181-L415 HydrophobicContact CG-CD1 3.85Å; V366-L415 HydrophobicContact CG1-CD1 3.82Å; G367-L415 PolarHBondContact O-N 3.14Å; F368-L415 WeakPolarHBondContact CA-O 3.46Å; F368-L415 WeakPolarHBondContact CD1-O 3.33Å; F368-L415 WeakPolarHBondContact CG-O 3.15Å; L415-F417 HydrophobicContact CB-CD2 4.38Å; L415-F417 HydrophobicContact CB-CE2 3.71Å; L415-F417 HydrophobicContact CB-CZ 4.4Å; L415-F417 HydrophobicContact CD1-CE2 4.49Å; L415-F417 HydrophobicContact CD1-CZ 4.5Å
416I95.4Very high94.8Very high1 Ų111.9 Ų11.91%0.0057%0.066CC..  trans-118.7107.4-177.2-51.5171.3000108.4F85 Y170 F171 E172 F368 P369 I431F85-I416 HydrophobicContact CE1-CD1 3.61Å; F85-I416 HydrophobicContact CE2-CD1 4.22Å; F85-I416 HydrophobicContact CZ-CD1 3.21Å; Y170-I416 VanDerWaalsContact O-CG2 3.28Å; Y170-I416 WeakPolarHBondContact O-CG2 3.4Å; F171-I416 WeakPolarHBondContact CB-O 3.45Å; E172-I416 PolarHBondContact N-O 3.48Å; F368-I416 HydrophobicContact CD1-CG2 4.46Å; F368-I416 HydrophobicContact CE1-CG2 4.19Å; P369-I416 HydrophobicContact CG-CD1 3.76Å; P369-I416 HydrophobicContact CG-CG1 3.72Å; I416-I431 HydrophobicContact CB-CG2 4.35Å; I416-I431 HydrophobicContact CD1-CG2 3.53Å; I416-I431 HydrophobicContact CG1-CG2 3.73Å; I416-I431 HydrophobicContact CG2-CG2 3.64Å
417F96.6Very high95Very high4 Ų411.5 Ų11.52%0.0186%0.063CC..  trans-81.9149.2-177-65.6-108.8000110.6Y121 F129 W178 L181 P205 L208 F368 L415 S419Y121-F417 HydrophobicContact CE1-CB 4.25Å; F129-F417 HydrophobicContact CB-CD1 3.69Å; F129-F417 HydrophobicContact CB-CE1 3.51Å; F129-F417 HydrophobicContact CD1-CE1 4Å; F129-F417 HydrophobicContact CG-CD1 4.38Å; F129-F417 AromaticContact CG-CE1 3.8Å; F129-F417 HydrophobicContact CG-CE1 3.8Å; W178-F417 AromaticContact CH2-CD1 3.97Å; W178-F417 HydrophobicContact CH2-CD1 3.97Å; W178-F417 HydrophobicContact CH2-CD2 4.46Å; W178-F417 HydrophobicContact CH2-CE1 4.06Å; W178-F417 HydrophobicContact CH2-CG 4.16Å; W178-F417 HydrophobicContact CH2-CZ 4.34Å; W178-F417 HydrophobicContact CZ3-CD1 4.33Å; W178-F417 AromaticContact CZ3-CE1 3.95Å; W178-F417 HydrophobicContact CZ3-CE1 3.95Å; W178-F417 HydrophobicContact CZ3-CZ 4.06Å; L181-F417 HydrophobicContact CD2-CZ 4.49Å; P205-F417 HydrophobicContact CB-CB 4.32Å; P205-F417 HydrophobicContact CB-CD1 3.73Å; P205-F417 HydrophobicContact CB-CD2 4.29Å; P205-F417 HydrophobicContact CB-CE1 4.1Å; P205-F417 HydrophobicContact CB-CG 3.85Å; P205-F417 HydrophobicContact CG-CD1 3.86Å; P205-F417 HydrophobicContact CG-CD2 3.83Å; P205-F417 HydrophobicContact CG-CE1 3.8Å; P205-F417 HydrophobicContact CG-CE2 3.78Å; P205-F417 HydrophobicContact CG-CG 3.89Å; P205-F417 HydrophobicContact CG-CZ 3.79Å; L208-F417 HydrophobicContact CB-CE1 4.28Å; L208-F417 HydrophobicContact CB-CZ 4.46Å; L208-F417 HydrophobicContact CD2-CZ 4.01Å; F368-F417 HydrophobicContact CE1-CD2 4.34Å; F368-F417 AromaticContact CE2-CD2 3.66Å; F368-F417 HydrophobicContact CE2-CD2 3.66Å; F368-F417 HydrophobicContact CE2-CE2 4.21Å; F368-F417 HydrophobicContact CZ-CB 3.97Å; F368-F417 AromaticContact CZ-CD2 3.53Å; F368-F417 HydrophobicContact CZ-CD2 3.53Å; F368-F417 HydrophobicContact CZ-CE2 4.49Å; F368-F417 HydrophobicContact CZ-CG 4.14Å; L415-F417 HydrophobicContact CB-CD2 4.38Å; L415-F417 HydrophobicContact CB-CE2 3.71Å; L415-F417 HydrophobicContact CB-CZ 4.4Å; L415-F417 HydrophobicContact CD1-CE2 4.49Å; L415-F417 HydrophobicContact CD1-CZ 4.5Å; F417-S419 PolarHBondContact O-N 3.18Å
418P96.2Very high95.1Very high0 Ų012 Ų120%07%0.065CC..  trans-64134.2171.631-37.7000109.9L127 D128 Y155 I159 F171L127-P418 HydrophobicContact CD2-CB 4.12Å; D128-P418 WeakPolarHBondContact O-CD 3.36Å; D128-P418 WeakPolarHBondContact O-CG 3.3Å; Y155-P418 VanDerWaalsContact OH-CD 3.3Å; Y155-P418 WeakPolarHBondContact OH-CD 3.47Å; Y155-P418 VanDerWaalsContact OH-CG 3.27Å; Y155-P418 WeakPolarHBondContact OH-CG 3.31Å; I159-P418 HydrophobicContact CD1-CB 4.01Å; I159-P418 HydrophobicContact CD1-CG 3.81Å; F171-P418 HydrophobicContact CB-CB 4.16Å; F171-P418 HydrophobicContact CD1-CB 4Å; F171-P418 HydrophobicContact CD2-CB 4.03Å; F171-P418 HydrophobicContact CE1-CB 4.39Å; F171-P418 HydrophobicContact CE2-CB 4.4Å; F171-P418 HydrophobicContact CG-CB 3.8Å
419S97Very high95.1Very high4 Ų410.1 Ų10.13%0.0286%0.058CC..  trans-151.7173.2-179.1730000110V120 S169 F417 L421V120-S419 WeakPolarHBondContact O-CA 3.07Å; V120-S419 WeakPolarHBondContact O-CB 3.42Å; S169-S419 WeakPolarHBondContact CB-O 3.49Å; S169-S419 WeakPolarHBondContact CB-OG 3.45Å; S169-S419 PolarHBondContact N-O 3.28Å; S169-S419 PolarHBondContact OG-N 3.18Å; S169-S419 PolarHBondContact OG-O 3.21Å; S169-S419 PolarHBondContact OG-OG 3.11Å; F417-S419 PolarHBondContact O-N 3.18Å; S419-L421 VanDerWaalsContact C-N 3.31Å; S419-L421 WeakPolarHBondContact OG-CB 3.05Å; S419-L421 PolarHBondContact OG-N 3.06Å
420L96.9Very high95.1Very high45 Ų4510.2 Ų10.224%0.2366%0.059CC..  trans-96.315.4172.6-58.4-179.5000112.2V120 Q122 L127 Y163V120-L420 PolarHBondContact O-N 3.39Å; Q122-L420 HydrophobicContact CG-CD1 4.14Å; L127-L420 HydrophobicContact CD1-CD1 4.21Å; L127-L420 HydrophobicContact CD1-CD2 3.93Å; L127-L420 HydrophobicContact CD1-CG 3.71Å; Y163-L420 HydrophobicContact CD1-CD2 3.88Å; Y163-L420 HydrophobicContact CE1-CD1 4.38Å; Y163-L420 HydrophobicContact CE1-CD2 3.86Å
421L96.2Very high95.2Very high5 Ų510.3 Ų10.33%0.0266%0.059CC..  trans-64135.5-179-160.276.4000111.3L115 V120 S169 V202 S419 R423 L425 Q426L115-L421 HydrophobicContact CD2-CD1 4.47Å; V120-L421 HydrophobicContact CG1-CB 4.43Å; V120-L421 HydrophobicContact CG1-CD1 4.08Å; V120-L421 HydrophobicContact CG2-CD1 3.9Å; S169-L421 WeakPolarHBondContact CB-O 3.38Å; V202-L421 HydrophobicContact CB-CD2 4.4Å; V202-L421 HydrophobicContact CG1-CD1 4.37Å; V202-L421 HydrophobicContact CG1-CD2 3.41Å; V202-L421 VanDerWaalsContact CG1-CD2 3.41Å; V202-L421 HydrophobicContact CG2-CD1 3.67Å; V202-L421 HydrophobicContact CG2-CD2 4.11Å; S419-L421 VanDerWaalsContact C-N 3.31Å; S419-L421 WeakPolarHBondContact OG-CB 3.05Å; S419-L421 PolarHBondContact OG-N 3.06Å; L421-R423 PolarHBondContact O-N 2.89Å; L421-L425 HydrophobicContact CD1-CD2 3.61Å; L421-L425 HydrophobicContact CD1-CG 4.2Å; L421-L425 HydrophobicContact CD2-CB 4.22Å; L421-L425 HydrophobicContact CD2-CD2 4.3Å; L421-L425 HydrophobicContact CD2-CG 3.94Å; L421-L425 HydrophobicContact CG-CB 4.21Å; L421-L425 HydrophobicContact CG-CD2 4.05Å; L421-L425 HydrophobicContact CG-CG 4.14Å; L421-Q426 HydrophobicContact CB-CG 4.43Å; L421-Q426 HydrophobicContact CD2-CG 3.64Å; L421-Q426 HydrophobicContact CG-CG 4.43Å
422P95.8Very high95.2Very high55 Ų5510.6 Ų10.636%0.3576%0.06SC..  trans-55.5134.5171.3-2634.5000111.9Q424 L425 Q426 Y446P422-Q424 PolarHBondContact O-N 3.34Å; P422-L425 HydrophobicContact CB-CB 4.41Å; P422-L425 WeakPolarHBondContact O-CA 3.15Å; P422-L425 WeakPolarHBondContact O-CB 3.31Å; P422-L425 PolarHBondContact O-N 2.97Å; P422-Q426 PolarHBondContact O-N 2.9Å; P422-Q426 VanDerWaalsContact O-N 3.13Å; P422-Y446 HydrophobicContact CB-CE2 4.47Å
423R95Very high95.3Very high17 Ų1710.8 Ų10.86%0.0646%0.061CC..Hα-helixtrans-59.1-32.6179.8-68.7176.8-176.1-177.73.4112.4D88 S165 L168 Y170 L421 L425 Q426 V427D88-R423 IonicContact OD1-CZ 3.85Å; D88-R423 IonicContact OD1-NH1 2.99Å; D88-R423 PolarHBondContact OD1-NH1 2.96Å; S165-R423 PolarHBondContact O-NH2 2.97Å; S165-R423 PolarHBondContact OG-NH2 2.83Å; L168-R423 PolarHBondContact O-NE 3.22Å; L168-R423 VanDerWaalsContact O-NE 3.16Å; L168-R423 PolarHBondContact O-NH2 3.32Å; Y170-R423 HydrophobicContact CD2-CB 4.34Å; Y170-R423 HydrophobicContact CD2-CG 4.01Å; Y170-R423 HydrophobicContact CE2-CB 3.86Å; Y170-R423 HydrophobicContact CE2-CG 3.76Å; L421-R423 PolarHBondContact O-N 2.89Å; R423-L425 VanDerWaalsContact C-N 3.29Å; R423-L425 PolarHBondContact O-N 3.31Å; R423-Q426 PolarHBondContact O-N 2.85Å; R423-V427 WeakPolarHBondContact O-CG2 3.49Å; R423-V427 PolarHBondContact O-N 3.42Å; R423-V427 VanDerWaalsContact O-N 3.15Å
424Q96.3Very high95.5Very high41 Ų4111.4 Ų11.419%0.1926%0.064CC..Hα-helixtrans-59-41.3173.2-69.674.217.600111.8P422 V427 L428 T442 A443 Y446P422-Q424 PolarHBondContact O-N 3.34Å; Q424-V427 WeakPolarHBondContact O-CB 3.24Å; Q424-V427 PolarHBondContact O-N 2.79Å; Q424-L428 WeakPolarHBondContact O-CG 3.47Å; Q424-L428 PolarHBondContact O-N 2.99Å; Q424-L428 VanDerWaalsContact O-N 3.13Å; Q424-T442 PolarHBondContact NE2-OG1 2.67Å; Q424-A443 HydrophobicContact CB-CB 4.18Å; Q424-A443 HydrophobicContact CG-CB 4.22Å; Q424-Y446 HydrophobicContact CB-CD2 3.98Å; Q424-Y446 HydrophobicContact CB-CG 3.86Å
425L96.6Very high95.4Very high3 Ų313.1 Ų13.12%0.0168%0.077CC..Hα-helixtrans-72.9-34.7178.3-17950.8000111.7L115 V202 L421 P422 R423 V427 L428 A429 Y446 F518L115-L425 HydrophobicContact CD2-CD2 4.44Å; V202-L425 HydrophobicContact CG2-CD2 4.43Å; L421-L425 HydrophobicContact CD1-CD2 3.61Å; L421-L425 HydrophobicContact CD1-CG 4.2Å; L421-L425 HydrophobicContact CD2-CB 4.22Å; L421-L425 HydrophobicContact CD2-CD2 4.3Å; L421-L425 HydrophobicContact CD2-CG 3.94Å; L421-L425 HydrophobicContact CG-CB 4.21Å; L421-L425 HydrophobicContact CG-CD2 4.05Å; L421-L425 HydrophobicContact CG-CG 4.14Å; P422-L425 HydrophobicContact CB-CB 4.41Å; P422-L425 WeakPolarHBondContact O-CA 3.15Å; P422-L425 WeakPolarHBondContact O-CB 3.31Å; P422-L425 PolarHBondContact O-N 2.97Å; R423-L425 VanDerWaalsContact C-N 3.29Å; R423-L425 PolarHBondContact O-N 3.31Å; L425-V427 VanDerWaalsContact C-N 3.26Å; L425-V427 PolarHBondContact O-N 2.97Å; L425-L428 PolarHBondContact O-N 3.44Å; L425-A429 VanDerWaalsContact O-CB 3.26Å; L425-A429 WeakPolarHBondContact O-CB 3.47Å; L425-A429 PolarHBondContact O-N 2.87Å; L425-Y446 HydrophobicContact CB-CE1 4.22Å; L425-Y446 HydrophobicContact CD1-CE1 4.41Å; L425-F518 HydrophobicContact CD1-CD2 4.29Å; L425-F518 HydrophobicContact CD1-CE2 3.36Å; L425-F518 HydrophobicContact CD1-CZ 3.76Å; L425-F518 HydrophobicContact CD2-CE1 4.2Å; L425-F518 HydrophobicContact CD2-CE2 3.9Å; L425-F518 HydrophobicContact CD2-CZ 3.64Å; L425-F518 HydrophobicContact CG-CE2 4.31Å; L425-F518 HydrophobicContact CG-CZ 4.37Å
426Q96.7Very high95.2Very high1 Ų115.2 Ų15.21%0.0059%0.087CC..Hα-helixtrans-60-38172.1-68.1-170.3-65.300112.7S169 Y170 L421 P422 R423 G430 I431S169-Q426 VanDerWaalsContact CB-CD 3.47Å; Y170-Q426 VanDerWaalsContact CD2-OE1 3.24Å; Y170-Q426 PolarHBondContact O-NE2 3.41Å; L421-Q426 HydrophobicContact CB-CG 4.43Å; L421-Q426 HydrophobicContact CD2-CG 3.64Å; L421-Q426 HydrophobicContact CG-CG 4.43Å; P422-Q426 PolarHBondContact O-N 2.9Å; P422-Q426 VanDerWaalsContact O-N 3.13Å; R423-Q426 PolarHBondContact O-N 2.85Å; Q426-G430 PolarHBondContact O-N 3.13Å; Q426-I431 HydrophobicContact CB-CB 4.3Å; Q426-I431 WeakPolarHBondContact O-CB 3.45Å; Q426-I431 PolarHBondContact O-N 3.31Å
427V96.8Very high95Very high7 Ų715.9 Ų15.94%0.0429%0.09CC..Hα-helixtrans-64.3-48.4174.8171.10000110.6R423 Q424 L425 A429 G430 I434 I437 A443 L506 V510R423-V427 WeakPolarHBondContact O-CG2 3.49Å; R423-V427 PolarHBondContact O-N 3.42Å; R423-V427 VanDerWaalsContact O-N 3.15Å; Q424-V427 WeakPolarHBondContact O-CB 3.24Å; Q424-V427 PolarHBondContact O-N 2.79Å; L425-V427 VanDerWaalsContact C-N 3.26Å; L425-V427 PolarHBondContact O-N 2.97Å; V427-A429 VanDerWaalsContact C-N 3.29Å; V427-A429 PolarHBondContact O-N 3.02Å; V427-G430 PolarHBondContact O-N 3.47Å; V427-I434 HydrophobicContact CG1-CG1 4.39Å; V427-I437 HydrophobicContact CB-CD1 4.01Å; V427-I437 HydrophobicContact CG1-CD1 3.33Å; V427-I437 HydrophobicContact CG2-CD1 3.42Å; V427-I437 VanDerWaalsContact CG2-CD1 3.42Å; V427-I437 HydrophobicContact CG2-CG1 4.28Å; V427-A443 HydrophobicContact CB-CB 4.27Å; V427-A443 HydrophobicContact CG1-CB 4.1Å; V427-L506 HydrophobicContact CG1-CD1 3.74Å; V427-L506 HydrophobicContact CG1-CD2 4.1Å; V427-L506 HydrophobicContact CG1-CG 4.37Å; V427-V510 WeakPolarHBondContact O-CG2 3.46Å
428L97.4Very high94.6Very high9 Ų919 Ų195%0.04711%0.105CC..Hα-helixtrans-67.5-28.4-179.9-67.5168.7000113.2Q424 L425 G430 Y446 L447 L506 A509 L516Q424-L428 WeakPolarHBondContact O-CG 3.47Å; Q424-L428 PolarHBondContact O-N 2.99Å; Q424-L428 VanDerWaalsContact O-N 3.13Å; L425-L428 PolarHBondContact O-N 3.44Å; L428-G430 PolarHBondContact O-N 3.1Å; L428-Y446 HydrophobicContact CD1-CD1 3.58Å; L428-Y446 HydrophobicContact CD1-CE1 4.32Å; L428-Y446 HydrophobicContact CD1-CG 4.43Å; L428-L447 HydrophobicContact CD1-CB 3.98Å; L428-L447 HydrophobicContact CD2-CB 3.96Å; L428-L447 HydrophobicContact CD2-CD1 4.17Å; L428-L447 HydrophobicContact CD2-CD2 4.12Å; L428-L447 HydrophobicContact CD2-CG 4.31Å; L428-L506 HydrophobicContact CD2-CD2 3.64Å; L428-L506 HydrophobicContact CG-CD2 4.5Å; L428-A509 HydrophobicContact CD2-CB 3.89Å; L428-L516 HydrophobicContact CD1-CD2 3.9Å
429A96.6Very high94.5Very high3 Ų319.4 Ų19.43%0.02511%0.107CC..THydrogen-bonded Turntrans-76.9-1.9171.700000113.2H199 L425 V427 I431H199-A429 WeakPolarHBondContact NE2-CA 3.34Å; H199-A429 WeakPolarHBondContact NE2-CB 3.45Å; L425-A429 VanDerWaalsContact O-CB 3.26Å; L425-A429 WeakPolarHBondContact O-CB 3.47Å; L425-A429 PolarHBondContact O-N 2.87Å; V427-A429 VanDerWaalsContact C-N 3.29Å; V427-A429 PolarHBondContact O-N 3.02Å; A429-I431 VanDerWaalsContact C-N 3.26Å; A429-I431 HydrophobicContact CB-CD1 3.88Å; A429-I431 HydrophobicContact CB-CG1 3.98Å; A429-I431 PolarHBondContact O-N 2.92Å
430G95.1Very high94.5Very high2 Ų219.2 Ų19.22%0.02111%0.106CC..THydrogen-bonded Turntrans68.721-17800000113.5N370 P392 Q426 V427 L428N370-G430 PolarHBondContact ND2-O 3.01Å; P392-G430 VanDerWaalsContact CG-O 3.25Å; P392-G430 WeakPolarHBondContact CG-O 3.45Å; Q426-G430 PolarHBondContact O-N 3.13Å; V427-G430 PolarHBondContact O-N 3.47Å; L428-G430 PolarHBondContact O-N 3.1Å
431I94.9Very high94.6Very high2 Ų218.1 Ų18.11%0.0110%0.099CC..  trans-78.8-34.6-179.5-64.8171000110.5V202 F368 P392 I416 Q426 A429V202-I431 HydrophobicContact CG1-CD1 3.94Å; F368-I431 HydrophobicContact CD1-CD1 3.79Å; F368-I431 HydrophobicContact CD1-CG1 4.2Å; F368-I431 HydrophobicContact CD1-CG2 4.44Å; F368-I431 HydrophobicContact CE1-CD1 4.33Å; P392-I431 WeakPolarHBondContact CG-O 3.4Å; I416-I431 HydrophobicContact CB-CG2 4.35Å; I416-I431 HydrophobicContact CD1-CG2 3.53Å; I416-I431 HydrophobicContact CG1-CG2 3.73Å; I416-I431 HydrophobicContact CG2-CG2 3.64Å; Q426-I431 HydrophobicContact CB-CB 4.3Å; Q426-I431 WeakPolarHBondContact O-CB 3.45Å; Q426-I431 PolarHBondContact O-N 3.31Å; A429-I431 VanDerWaalsContact C-N 3.26Å; A429-I431 HydrophobicContact CB-CD1 3.88Å; A429-I431 HydrophobicContact CB-CG1 3.98Å; A429-I431 PolarHBondContact O-N 2.92Å
432Y93.8Very high94.6Very high7 Ų719 Ų193%0.02710%0.104CC..SBendtrans-104.5137.8179.4-165-79.8000111.5R61 L63 F85 Y170 I434 Q436 I437R61-Y432 PolarHBondContact NH1-OH 2.94Å; L63-Y432 HydrophobicContact CD1-CE2 4.04Å; F85-Y432 AromaticContact CD2-CD2 3.62Å; F85-Y432 HydrophobicContact CD2-CD2 3.62Å; F85-Y432 AromaticContact CD2-CE2 3.49Å; F85-Y432 HydrophobicContact CD2-CE2 3.49Å; F85-Y432 VanDerWaalsContact CD2-CE2 3.49Å; F85-Y432 AromaticContact CE2-CD2 3.81Å; F85-Y432 HydrophobicContact CE2-CD2 3.81Å; F85-Y432 HydrophobicContact CE2-CE2 4.09Å; Y170-Y432 HydrophobicContact CD1-CD2 4.27Å; Y170-Y432 AromaticContact CD1-CE2 3.92Å; Y170-Y432 HydrophobicContact CD1-CE2 3.92Å; Y170-Y432 AromaticContact CD2-CD2 3.35Å; Y170-Y432 HydrophobicContact CD2-CD2 3.35Å; Y170-Y432 AromaticContact CD2-CE2 3.75Å; Y170-Y432 HydrophobicContact CD2-CE2 3.75Å; Y170-Y432 HydrophobicContact CD2-CG 4.23Å; Y170-Y432 HydrophobicContact CE1-CD2 4.47Å; Y170-Y432 AromaticContact CE1-CE2 3.87Å; Y170-Y432 HydrophobicContact CE1-CE2 3.87Å; Y170-Y432 AromaticContact CE2-CD2 3.59Å; Y170-Y432 HydrophobicContact CE2-CD2 3.59Å; Y170-Y432 AromaticContact CE2-CE2 3.69Å; Y170-Y432 HydrophobicContact CE2-CE2 3.69Å; Y170-Y432 HydrophobicContact CE2-CG 4.3Å; Y170-Y432 AromaticContact CG-CD2 3.7Å; Y170-Y432 HydrophobicContact CG-CD2 3.7Å; Y170-Y432 AromaticContact CG-CE2 3.84Å; Y170-Y432 HydrophobicContact CG-CE2 3.84Å; Y170-Y432 AromaticContact CZ-CE2 3.73Å; Y432-I434 PolarHBondContact O-N 3.48Å; Y432-I434 VanDerWaalsContact O-N 3.15Å; Y432-Q436 HydrophobicContact CE1-CB 4.46Å; Y432-I437 HydrophobicContact CD1-CD1 4.22Å; Y432-I437 HydrophobicContact CD1-CG1 3.51Å; Y432-I437 HydrophobicContact CE1-CG1 3.68Å
433P92.9Very high94.7Very high3 Ų316.6 Ų16.62%0.0199%0.089CC..  trans-66.5113.3-179.524.8-33000112.1L63 A435 Q436L63-P433 HydrophobicContact CB-CG 4.48Å; L63-P433 HydrophobicContact CD1-CG 3.7Å; P433-A435 VanDerWaalsContact C-N 3.26Å; P433-A435 PolarHBondContact O-N 3.37Å; P433-Q436 HydrophobicContact CG-CB 4.19Å; P433-Q436 PolarHBondContact O-N 3.34Å
434I93.8Very high94.9Very high20 Ų2015.8 Ų15.810%0.1039%0.086CC..G310 helixtrans-52.6-43.6-176.9-67.4168.3000112.1V427 Y432 Q436 I437 N503 L506 R507 V510V427-I434 HydrophobicContact CG1-CG1 4.39Å; Y432-I434 PolarHBondContact O-N 3.48Å; Y432-I434 VanDerWaalsContact O-N 3.15Å; I434-Q436 PolarHBondContact O-N 3.3Å; I434-I437 HydrophobicContact CB-CD1 4.45Å; I434-I437 HydrophobicContact CG1-CD1 4.44Å; I434-I437 WeakPolarHBondContact O-CB 3.43Å; I434-I437 WeakPolarHBondContact O-CG1 3.31Å; I434-I437 PolarHBondContact O-N 2.84Å; I434-I437 VanDerWaalsContact O-N 3.13Å; I434-N503 HydrophobicContact CG2-CB 3.9Å; I434-L506 HydrophobicContact CD1-CB 3.76Å; I434-L506 HydrophobicContact CG1-CB 4.19Å; I434-L506 HydrophobicContact CG2-CB 4.18Å; I434-L506 HydrophobicContact CG2-CD1 4.25Å; I434-R507 HydrophobicContact CD1-CG 3.86Å; I434-V510 HydrophobicContact CD1-CG2 3.91Å
435A89.9Confident95Very high46 Ų4614.1 Ų14.138%0.388%0.079SC..G310 helixtrans-60.6-19.1-178.400000114.2P433P433-A435 VanDerWaalsContact C-N 3.26Å; P433-A435 PolarHBondContact O-N 3.37Å
436Q88.9Confident95Very high44 Ų4415.9 Ų15.921%0.2069%0.086CC..G310 helixtrans-1050.6-176.8-68.4172.251.900112.7R61 L63 N64 Y432 P433 I434 Q438R61-Q436 PolarHBondContact NH1-O 3.08Å; R61-Q436 PolarHBondContact NH2-O 3.37Å; L63-Q436 VanDerWaalsContact CA-OE1 3.25Å; L63-Q436 HydrophobicContact CD2-CB 4.21Å; N64-Q436 PolarHBondContact OD1-NE2 2.69Å; Y432-Q436 HydrophobicContact CE1-CB 4.46Å; P433-Q436 HydrophobicContact CG-CB 4.19Å; P433-Q436 PolarHBondContact O-N 3.34Å; I434-Q436 PolarHBondContact O-N 3.3Å; Q436-Q438 PolarHBondContact O-N 2.94Å
437I91Very high95.1Very high15 Ų1515.9 Ų15.98%0.0779%0.086CC..  trans-71.3128.6178.3-60.3171.3000109.7V427 Y432 I434 E439 P440 Y499 L506V427-I437 HydrophobicContact CB-CD1 4.01Å; V427-I437 HydrophobicContact CG1-CD1 3.33Å; V427-I437 HydrophobicContact CG2-CD1 3.42Å; V427-I437 VanDerWaalsContact CG2-CD1 3.42Å; V427-I437 HydrophobicContact CG2-CG1 4.28Å; Y432-I437 HydrophobicContact CD1-CD1 4.22Å; Y432-I437 HydrophobicContact CD1-CG1 3.51Å; Y432-I437 HydrophobicContact CE1-CG1 3.68Å; I434-I437 HydrophobicContact CB-CD1 4.45Å; I434-I437 HydrophobicContact CG1-CD1 4.44Å; I434-I437 WeakPolarHBondContact O-CB 3.43Å; I434-I437 WeakPolarHBondContact O-CG1 3.31Å; I434-I437 PolarHBondContact O-N 2.84Å; I434-I437 VanDerWaalsContact O-N 3.13Å; I437-E439 VanDerWaalsContact CG2-C 3.42Å; I437-E439 WeakPolarHBondContact CG2-O 3.32Å; I437-P440 HydrophobicContact CG2-CB 4.2Å; I437-Y499 WeakPolarHBondContact O-CE2 3.48Å; I437-Y499 PolarHBondContact O-OH 3.29Å; I437-L506 HydrophobicContact CD1-CD1 4.34Å
438Q89.4Confident95.1Very high69 Ų6916 Ų1632%0.3229%0.088SC..SBendtrans-76.2-32178.3-66.7-176.660.300112.5V93 Q436V93-Q438 HydrophobicContact CG1-CB 4.17Å; V93-Q438 HydrophobicContact CG2-CB 4.39Å; Q436-Q438 PolarHBondContact O-N 2.94Å
439E93.8Very high95.1Very high10 Ų1016.4 Ų16.45%0.0479%0.092CC..  trans-137.495.3-178.5-162.3-72.4140.800108.8V93 R96 K97 I437 Y441 T442V93-E439 HydrophobicContact CG1-CB 4.31Å; R96-E439 HydrophobicContact CB-CG 4.02Å; R96-E439 WeakPolarHBondContact CB-OE2 3.48Å; K97-E439 HydrophobicContact CB-CG 4.24Å; K97-E439 HydrophobicContact CG-CB 4.28Å; K97-E439 HydrophobicContact CG-CG 3.36Å; I437-E439 VanDerWaalsContact CG2-C 3.42Å; I437-E439 WeakPolarHBondContact CG2-O 3.32Å; E439-Y441 HydrophobicContact CG-CD2 4.07Å; E439-Y441 WeakPolarHBondContact OE1-CA 3.28Å; E439-Y441 WeakPolarHBondContact OE1-CB 3.42Å; E439-Y441 WeakPolarHBondContact OE1-CD2 3.18Å; E439-Y441 PolarHBondContact OE1-N 3Å; E439-T442 PolarHBondContact OE1-N 3.3Å; E439-T442 VanDerWaalsContact OE1-N 3.14Å; E439-T442 WeakPolarHBondContact OE2-CB 3.3Å; E439-T442 VanDerWaalsContact OE2-CG2 3.31Å; E439-T442 WeakPolarHBondContact OE2-CG2 3.19Å; E439-T442 PolarHBondContact OE2-N 3.33Å; E439-T442 PolarHBondContact OE2-OG1 2.84Å
440P96.8Very high95.2Very high0 Ų018.7 Ų18.70%010%0.1CC..  trans-87.2-13.5-179.831.8-34.7000113.4I437 T442 A443 V444 Y499 A502 L506I437-P440 HydrophobicContact CG2-CB 4.2Å; P440-T442 PolarHBondContact O-N 3.03Å; P440-A443 WeakPolarHBondContact O-CB 3.42Å; P440-A443 PolarHBondContact O-N 3.26Å; P440-V444 PolarHBondContact O-N 3.31Å; P440-Y499 HydrophobicContact CG-CD2 3.85Å; P440-Y499 HydrophobicContact CG-CE2 3.83Å; P440-A502 HydrophobicContact CB-CB 3.9Å; P440-A502 HydrophobicContact CG-CB 3.54Å; P440-L506 HydrophobicContact CB-CD1 3.58Å
441Y98.2Very high95.1Very high22 Ų2219.7 Ų19.79%0.08610%0.104CC..Hα-helixtrans-69.1-39.5-167.4-36.7-66.7000111.6A100 E439 A443 V444 G445 A475 W476 C479 V498 A502A100-Y441 HydrophobicContact CB-CG 4.48Å; E439-Y441 HydrophobicContact CG-CD2 4.07Å; E439-Y441 WeakPolarHBondContact OE1-CA 3.28Å; E439-Y441 WeakPolarHBondContact OE1-CB 3.42Å; E439-Y441 WeakPolarHBondContact OE1-CD2 3.18Å; E439-Y441 PolarHBondContact OE1-N 3Å; Y441-A443 PolarHBondContact O-N 3.14Å; Y441-V444 WeakPolarHBondContact O-CB 3.5Å; Y441-V444 PolarHBondContact O-N 2.86Å; Y441-V444 VanDerWaalsContact O-N 3.08Å; Y441-G445 PolarHBondContact O-N 3Å; Y441-A475 WeakPolarHBondContact O-CB 3.36Å; Y441-W476 HydrophobicContact CD1-CE3 4.48Å; Y441-W476 HydrophobicContact CD2-CE3 4.08Å; Y441-W476 AromaticContact CD2-CZ3 3.97Å; Y441-W476 HydrophobicContact CD2-CZ3 3.97Å; Y441-W476 HydrophobicContact CE1-CZ3 4.24Å; Y441-W476 HydrophobicContact CE2-CE3 4.2Å; Y441-W476 AromaticContact CE2-CZ3 3.62Å; Y441-W476 HydrophobicContact CE2-CZ3 3.62Å; Y441-W476 HydrophobicContact CG-CE3 4.27Å; Y441-W476 HydrophobicContact CG-CZ3 4.47Å; Y441-W476 AromaticContact CZ-CZ3 3.75Å; Y441-C479 HydrophobicContact CD1-CB 4.42Å; Y441-V498 HydrophobicContact CD1-CG1 4.12Å; Y441-V498 HydrophobicContact CE1-CB 4.34Å; Y441-V498 HydrophobicContact CE1-CG1 3.75Å; Y441-A502 HydrophobicContact CD1-CB 3.65Å; Y441-A502 HydrophobicContact CE1-CB 3.85Å
442T97.5Very high95.1Very high24 Ų2423.5 Ų23.515%0.14713%0.129CC..Hα-helixtrans-62.9-30.1175.356.70000113.4R96 A100 Q424 E439 P440 G445 Y446R96-T442 HydrophobicContact CB-CG2 3.72Å; R96-T442 HydrophobicContact CG-CG2 4.24Å; R96-T442 VanDerWaalsContact O-CG2 3.24Å; R96-T442 WeakPolarHBondContact O-CG2 3.45Å; A100-T442 HydrophobicContact CB-CG2 4.12Å; Q424-T442 PolarHBondContact NE2-OG1 2.67Å; E439-T442 PolarHBondContact OE1-N 3.3Å; E439-T442 VanDerWaalsContact OE1-N 3.14Å; E439-T442 WeakPolarHBondContact OE2-CB 3.3Å; E439-T442 VanDerWaalsContact OE2-CG2 3.31Å; E439-T442 WeakPolarHBondContact OE2-CG2 3.19Å; E439-T442 PolarHBondContact OE2-N 3.33Å; E439-T442 PolarHBondContact OE2-OG1 2.84Å; P440-T442 PolarHBondContact O-N 3.03Å; T442-G445 PolarHBondContact O-N 3.36Å; T442-Y446 WeakPolarHBondContact O-CB 3.48Å; T442-Y446 PolarHBondContact O-N 2.79Å
443A98Very high95.1Very high4 Ų423.2 Ų23.23%0.03313%0.128CC..Hα-helixtrans-70.4-36.6173.400000111.8Q424 V427 P440 Y441 Y446 L447 L506Q424-A443 HydrophobicContact CB-CB 4.18Å; Q424-A443 HydrophobicContact CG-CB 4.22Å; V427-A443 HydrophobicContact CB-CB 4.27Å; V427-A443 HydrophobicContact CG1-CB 4.1Å; P440-A443 WeakPolarHBondContact O-CB 3.42Å; P440-A443 PolarHBondContact O-N 3.26Å; Y441-A443 PolarHBondContact O-N 3.14Å; A443-Y446 PolarHBondContact O-N 3.4Å; A443-L447 PolarHBondContact O-N 3.18Å; A443-L506 HydrophobicContact CB-CD1 4.4Å; A443-L506 HydrophobicContact CB-CD2 3.76Å
444V98.4Very high95.1Very high0 Ų024.9 Ų24.90%014%0.136CC..Hα-helixtrans-64.1-42.6170.6176.90000110.9P440 Y441 Y446 L447 A448 I478 A502 L505 L506P440-V444 PolarHBondContact O-N 3.31Å; Y441-V444 WeakPolarHBondContact O-CB 3.5Å; Y441-V444 PolarHBondContact O-N 2.86Å; Y441-V444 VanDerWaalsContact O-N 3.08Å; V444-Y446 PolarHBondContact O-N 2.9Å; V444-L447 WeakPolarHBondContact O-CB 3.47Å; V444-L447 PolarHBondContact O-N 2.82Å; V444-A448 WeakPolarHBondContact O-CB 3.44Å; V444-A448 PolarHBondContact O-N 3.22Å; V444-I478 HydrophobicContact CG1-CG2 3.94Å; V444-A502 HydrophobicContact CG2-CB 4.13Å; V444-L505 HydrophobicContact CG1-CD1 3.75Å; V444-L505 HydrophobicContact CG2-CB 4.19Å; V444-L505 HydrophobicContact CG2-CD1 4.34Å; V444-L506 HydrophobicContact CG2-CD2 3.94Å; V444-L506 HydrophobicContact CG2-CG 4.02Å
445G98.2Very high95.1Very high5 Ų527 Ų275%0.05216%0.156CC..Hα-helixtrans-59.4-45.6174.200000112.3Y441 T442 L447 A448 S449Y441-G445 PolarHBondContact O-N 3Å; T442-G445 PolarHBondContact O-N 3.36Å; G445-L447 VanDerWaalsContact C-N 3.29Å; G445-L447 PolarHBondContact O-N 3.37Å; G445-A448 PolarHBondContact O-N 2.94Å; G445-S449 PolarHBondContact O-N 3.35Å; G445-S449 PolarHBondContact O-OG 3.25Å
446Y97.9Very high95.2Very high40 Ų4027.3 Ų27.316%0.15715%0.151CC..Hα-helixtrans-57.8-41.3176.4-172.7-81000112.5P422 Q424 L425 L428 T442 A443 V444 R450 L516 F518P422-Y446 HydrophobicContact CB-CE2 4.47Å; Q424-Y446 HydrophobicContact CB-CD2 3.98Å; Q424-Y446 HydrophobicContact CB-CG 3.86Å; L425-Y446 HydrophobicContact CB-CE1 4.22Å; L425-Y446 HydrophobicContact CD1-CE1 4.41Å; L428-Y446 HydrophobicContact CD1-CD1 3.58Å; L428-Y446 HydrophobicContact CD1-CE1 4.32Å; L428-Y446 HydrophobicContact CD1-CG 4.43Å; T442-Y446 WeakPolarHBondContact O-CB 3.48Å; T442-Y446 PolarHBondContact O-N 2.79Å; A443-Y446 PolarHBondContact O-N 3.4Å; V444-Y446 PolarHBondContact O-N 2.9Å; Y446-R450 VanDerWaalsContact CE1-CZ 3.5Å; Y446-R450 VanDerWaalsContact CE2-CZ 3.47Å; Y446-R450 PolarHBondContact O-NH1 3.02Å; Y446-R450 PolarHBondContact OH-NH2 3.46Å; Y446-L516 HydrophobicContact CE1-CD2 4.46Å; Y446-F518 HydrophobicContact CE1-CZ 4.1Å
447L98Very high95.3Very high1 Ų125.4 Ų25.41%0.00514%0.142CC..Hα-helixtrans-65.3-51.3174.9178.866.9000111.4L428 A443 V444 G445 S449 R450 I451 V453 A509 L514 L516L428-L447 HydrophobicContact CD1-CB 3.98Å; L428-L447 HydrophobicContact CD2-CB 3.96Å; L428-L447 HydrophobicContact CD2-CD1 4.17Å; L428-L447 HydrophobicContact CD2-CD2 4.12Å; L428-L447 HydrophobicContact CD2-CG 4.31Å; A443-L447 PolarHBondContact O-N 3.18Å; V444-L447 WeakPolarHBondContact O-CB 3.47Å; V444-L447 PolarHBondContact O-N 2.82Å; G445-L447 VanDerWaalsContact C-N 3.29Å; G445-L447 PolarHBondContact O-N 3.37Å; L447-S449 VanDerWaalsContact C-N 3.29Å; L447-S449 PolarHBondContact O-N 3.34Å; L447-R450 WeakPolarHBondContact O-CA 3.19Å; L447-R450 PolarHBondContact O-N 2.96Å; L447-I451 HydrophobicContact CD1-CD1 3.49Å; L447-I451 VanDerWaalsContact CD1-CD1 3.49Å; L447-I451 HydrophobicContact CD1-CG1 3.95Å; L447-I451 HydrophobicContact CD2-CD1 4.41Å; L447-I451 HydrophobicContact CG-CD1 3.87Å; L447-I451 HydrophobicContact CG-CG1 4.09Å; L447-I451 PolarHBondContact O-N 3.38Å; L447-V453 HydrophobicContact CD2-CG2 4.27Å; L447-V453 HydrophobicContact CG-CG2 4.1Å; L447-A509 HydrophobicContact CD1-CB 4.25Å; L447-A509 HydrophobicContact CD2-CB 3.74Å; L447-L514 HydrophobicContact CD2-CD1 4.27Å; L447-L516 HydrophobicContact CD1-CB 3.81Å; L447-L516 HydrophobicContact CD1-CD2 4.05Å; L447-L516 HydrophobicContact CD1-CG 4.44Å
448A97.7Very high95.4Very high9 Ų930.4 Ų30.47%0.07417%0.165CC..Hα-helixtrans-70.1-22.3-174.600000114.3L105 V444 G445 R450 I451 V453 I478L105-A448 HydrophobicContact CD1-CB 4.01Å; V444-A448 WeakPolarHBondContact O-CB 3.44Å; V444-A448 PolarHBondContact O-N 3.22Å; G445-A448 PolarHBondContact O-N 2.94Å; A448-R450 PolarHBondContact O-N 3.35Å; A448-I451 CarbonylContact C-O 3.6Å; A448-I451 VanDerWaalsContact O-O 3.05Å; A448-V453 HydrophobicContact CB-CB 4.17Å; A448-V453 HydrophobicContact CB-CG2 3.95Å; A448-I478 HydrophobicContact CB-CD1 3.3Å
449S97.2Very high95.6Very high19 Ų1928 Ų2813%0.13315%0.154CC..THydrogen-bonded Turntrans-70.5-17.2167.8-73.30000113.2Q106 P107 V108 G445 L447Q106-S449 WeakPolarHBondContact O-CB 3.36Å; Q106-S449 PolarHBondContact O-OG 3.17Å; P107-S449 CarbonylContact C-O 3.57Å; P107-S449 WeakPolarHBondContact CA-O 3.39Å; V108-S449 WeakPolarHBondContact CG2-O 3.42Å; V108-S449 PolarHBondContact N-O 3.32Å; G445-S449 PolarHBondContact O-N 3.35Å; G445-S449 PolarHBondContact O-OG 3.25Å; L447-S449 VanDerWaalsContact C-N 3.29Å; L447-S449 PolarHBondContact O-N 3.34Å
450R97.1Very high95.5Very high51 Ų5134.7 Ų34.719%0.19218%0.179CC..THydrogen-bonded Turntrans-110.8-28.4-172.9-79.6170.9179.874.24.7114.3V108 L113 Y446 L447 A448 L516V108-R450 HydrophobicContact CG2-CB 4.39Å; V108-R450 HydrophobicContact CG2-CG 3.51Å; L113-R450 HydrophobicContact CD2-CB 3.89Å; L113-R450 HydrophobicContact CD2-CG 3.68Å; Y446-R450 VanDerWaalsContact CE1-CZ 3.5Å; Y446-R450 VanDerWaalsContact CE2-CZ 3.47Å; Y446-R450 PolarHBondContact O-NH1 3.02Å; Y446-R450 PolarHBondContact OH-NH2 3.46Å; L447-R450 WeakPolarHBondContact O-CA 3.19Å; L447-R450 PolarHBondContact O-N 2.96Å; A448-R450 PolarHBondContact O-N 3.35Å; R450-L516 HydrophobicContact CB-CD1 3.65Å; R450-L516 HydrophobicContact CG-CD1 4.37Å
451I94.5Very high95.3Very high23 Ų2335.2 Ų35.212%0.11818%0.182CC..SBendtrans-129.4149.5174.670.5176.7000109.3L447 A448 V453 L514 L516L447-I451 HydrophobicContact CD1-CD1 3.49Å; L447-I451 VanDerWaalsContact CD1-CD1 3.49Å; L447-I451 HydrophobicContact CD1-CG1 3.95Å; L447-I451 HydrophobicContact CD2-CD1 4.41Å; L447-I451 HydrophobicContact CG-CD1 3.87Å; L447-I451 HydrophobicContact CG-CG1 4.09Å; L447-I451 PolarHBondContact O-N 3.38Å; A448-I451 CarbonylContact C-O 3.6Å; A448-I451 VanDerWaalsContact O-O 3.05Å; I451-V453 HydrophobicContact CD1-CG2 3.94Å; I451-V453 HydrophobicContact CG1-CG2 3.54Å; I451-V453 PolarHBondContact O-N 3.49Å; I451-L514 HydrophobicContact CD1-CB 3.83Å; I451-L514 HydrophobicContact CD1-CD2 4.44Å; I451-L516 HydrophobicContact CG2-CD1 4.07Å
452P93.6Very high95Very high81 Ų8136.9 Ų36.953%0.52620%0.195SC..  trans-77.664.2-175.833-36.6000111.9Q454 A455 L456P452-Q454 VanDerWaalsContact C-N 3.26Å; P452-Q454 PolarHBondContact O-N 3.04Å; P452-A455 HydrophobicContact CB-CB 4.22Å; P452-A455 PolarHBondContact O-N 3.49Å; P452-A455 VanDerWaalsContact O-N 3.09Å; P452-L456 HydrophobicContact CG-CD1 4.32Å; P452-L456 HydrophobicContact CG-CG 4.25Å; P452-L456 WeakPolarHBondContact O-CG 3.23Å; P452-L456 PolarHBondContact O-N 3.49Å
453V94.7Very high94.5Very high1 Ų142.3 Ų42.31%0.00622%0.219CC..Hα-helixtrans-53-42.7-174.81760000111.8L447 A448 I451 A455 L456 L457 I478 L505 L514L447-V453 HydrophobicContact CD2-CG2 4.27Å; L447-V453 HydrophobicContact CG-CG2 4.1Å; A448-V453 HydrophobicContact CB-CB 4.17Å; A448-V453 HydrophobicContact CB-CG2 3.95Å; I451-V453 HydrophobicContact CD1-CG2 3.94Å; I451-V453 HydrophobicContact CG1-CG2 3.54Å; I451-V453 PolarHBondContact O-N 3.49Å; V453-A455 VanDerWaalsContact C-N 3.34Å; V453-A455 PolarHBondContact O-N 3.09Å; V453-L456 PolarHBondContact O-N 2.95Å; V453-L457 HydrophobicContact CG1-CD1 3.72Å; V453-L457 HydrophobicContact CG1-CG 4.28Å; V453-L457 VanDerWaalsContact O-CB 3.31Å; V453-L457 WeakPolarHBondContact O-CB 3.39Å; V453-L457 WeakPolarHBondContact O-CG 2.97Å; V453-L457 PolarHBondContact O-N 3.29Å; V453-I478 HydrophobicContact CG1-CG2 4.22Å; V453-L505 HydrophobicContact CG1-CD2 4.48Å; V453-L514 HydrophobicContact CG1-CD1 4.49Å
454Q93.5Very high93.9Very high39 Ų3942.5 Ų42.518%0.18222%0.22CC..Hα-helixtrans-61.7-42.9-178.9-56.489.3-33.900111.5P452 H458 L459 W473 I478P452-Q454 VanDerWaalsContact C-N 3.26Å; P452-Q454 PolarHBondContact O-N 3.04Å; Q454-H458 WeakPolarHBondContact O-CA 3.46Å; Q454-H458 PolarHBondContact O-N 3.24Å; Q454-L459 PolarHBondContact O-N 3.38Å; Q454-W473 HydrophobicContact CB-CZ2 4.42Å; Q454-W473 HydrophobicContact CG-CD2 3.85Å; Q454-W473 HydrophobicContact CG-CE3 4.03Å; Q454-W473 HydrophobicContact CG-CG 4.34Å; Q454-W473 HydrophobicContact CG-CH2 4.29Å; Q454-W473 HydrophobicContact CG-CZ2 4.17Å; Q454-W473 HydrophobicContact CG-CZ3 4.25Å; Q454-I478 HydrophobicContact CG-CD1 4.48Å; Q454-I478 HydrophobicContact CG-CG1 4.17Å
455A91.9Very high92.9Very high64 Ų6450.9 Ų50.953%0.52926%0.259SS..Hα-helixtrans-72.4-45.8178.300000111.3P452 V453 L457 H458P452-A455 HydrophobicContact CB-CB 4.22Å; P452-A455 PolarHBondContact O-N 3.49Å; P452-A455 VanDerWaalsContact O-N 3.09Å; V453-A455 VanDerWaalsContact C-N 3.34Å; V453-A455 PolarHBondContact O-N 3.09Å; A455-L457 VanDerWaalsContact C-N 3.28Å; A455-L457 PolarHBondContact O-N 3.01Å; A455-H458 PolarHBondContact O-N 3.3Å; A455-H458 VanDerWaalsContact O-N 3.17Å; A455-H458 PolarHBondContact O-ND1 2.94Å
456L91.9Very high92Very high53 Ų5355.8 Ų55.828%0.27728%0.284SS..Hα-helixtrans-60.6-37.7179.2-70.6172.1000112.4P452 V453 L514P452-L456 HydrophobicContact CG-CD1 4.32Å; P452-L456 HydrophobicContact CG-CG 4.25Å; P452-L456 WeakPolarHBondContact O-CG 3.23Å; P452-L456 PolarHBondContact O-N 3.49Å; V453-L456 PolarHBondContact O-N 2.95Å; L456-L514 HydrophobicContact CB-CD2 4.37Å; L456-L514 HydrophobicContact CD1-CD2 4.07Å
457L92.8Very high90.6Very high3 Ų359.2 Ų59.22%0.01631%0.312CS..THydrogen-bonded Turntrans-97.26.1179.9-61.8-177.5000113V270 L271 V453 A455 L459 W482 K485 L505 L514V270-L457 HydrophobicContact CB-CD2 4.47Å; V270-L457 HydrophobicContact CG1-CD2 3.71Å; L271-L457 HydrophobicContact CD2-CD2 4.42Å; V453-L457 HydrophobicContact CG1-CD1 3.72Å; V453-L457 HydrophobicContact CG1-CG 4.28Å; V453-L457 VanDerWaalsContact O-CB 3.31Å; V453-L457 WeakPolarHBondContact O-CB 3.39Å; V453-L457 WeakPolarHBondContact O-CG 2.97Å; V453-L457 PolarHBondContact O-N 3.29Å; A455-L457 VanDerWaalsContact C-N 3.28Å; A455-L457 PolarHBondContact O-N 3.01Å; L457-L459 VanDerWaalsContact C-N 3.33Å; L457-L459 HydrophobicContact CB-CD1 4.41Å; L457-L459 HydrophobicContact CB-CD2 3.88Å; L457-L459 HydrophobicContact CB-CG 3.86Å; L457-L459 PolarHBondContact O-N 2.91Å; L457-W482 HydrophobicContact CB-CZ3 4.21Å; L457-W482 HydrophobicContact CD1-CD2 4.36Å; L457-W482 HydrophobicContact CD1-CE3 4.03Å; L457-W482 HydrophobicContact CD1-CH2 4.32Å; L457-W482 HydrophobicContact CD1-CZ3 4.01Å; L457-W482 HydrophobicContact CD2-CH2 4.1Å; L457-W482 HydrophobicContact CD2-CZ3 4.12Å; L457-W482 HydrophobicContact CG-CZ3 4.36Å; L457-K485 PolarHBondContact O-NZ 3.03Å; L457-L505 HydrophobicContact CD1-CD2 3.31Å; L457-L514 HydrophobicContact CD1-CD1 4.29Å; L457-L514 HydrophobicContact CD2-CD2 4.31Å; L457-L514 HydrophobicContact CG-CD2 4.42Å
458H92Very high89.4Confident120 Ų12064.3 Ų64.356%0.55635%0.347SS*.THydrogen-bonded Turntrans41.657.5-175.3-49.8-71.6000112.4Q454 A455 K485Q454-H458 WeakPolarHBondContact O-CA 3.46Å; Q454-H458 PolarHBondContact O-N 3.24Å; A455-H458 PolarHBondContact O-N 3.3Å; A455-H458 VanDerWaalsContact O-N 3.17Å; A455-H458 PolarHBondContact O-ND1 2.94Å; H458-K485 PolarHBondContact O-NZ 3.33Å; H458-K485 VanDerWaalsContact O-NZ 3.16Å
459L92.8Very high88.3Confident20 Ų2066 Ų6611%0.10536%0.361CS..PPolyproline II helixtrans-84.1139-179.6-59.1-177.2000110.6Q454 L457 W473 I478 A481 W482 K485Q454-L459 PolarHBondContact O-N 3.38Å; L457-L459 VanDerWaalsContact C-N 3.33Å; L457-L459 HydrophobicContact CB-CD1 4.41Å; L457-L459 HydrophobicContact CB-CD2 3.88Å; L457-L459 HydrophobicContact CB-CG 3.86Å; L457-L459 PolarHBondContact O-N 2.91Å; L459-W473 HydrophobicContact CB-CH2 3.86Å; L459-W473 HydrophobicContact CB-CZ3 4.38Å; L459-I478 HydrophobicContact CD1-CG2 3.93Å; L459-A481 HydrophobicContact CB-CB 4.14Å; L459-A481 HydrophobicContact CD1-CB 4.4Å; L459-W482 HydrophobicContact CD2-CB 4.43Å; L459-W482 HydrophobicContact CD2-CE3 3.81Å; L459-K485 HydrophobicContact CD2-CD 4.07Å
460R91.9Very high87.5Confident149 Ų14974.6 Ų74.656%0.56240%0.399SS*.PPolyproline II helixtrans-97.1135.4168.1-179.8-179.7174.51662.6108.8A464 E465 A481R460-A464 PolarHBondContact NE-O 3Å; R460-A464 VanDerWaalsContact NE-O 3.14Å; R460-A464 PolarHBondContact NH2-O 3.2Å; R460-E465 PolarHBondContact NH2-O 3.21Å; R460-A481 WeakPolarHBondContact O-CB 3.37Å
461H94.1Very high87Confident12 Ų1274.9 Ų74.96%0.05640%0.402CS..PPolyproline II helixtrans-61.6135.1177.4-170.5-87.5000110.3E463 A464 H471 P472 W473 D477H461-E463 IonicContact CE1-OE2 3.65Å; H461-E463 PolarHBondContact ND1-N 3.05Å; H461-E463 VanDerWaalsContact ND1-N 3.13Å; H461-E463 PolarHBondContact O-N 3.06Å; H461-A464 HydrophobicContact CB-CB 3.81Å; H461-A464 PolarHBondContact O-N 3.45Å; H461-A464 VanDerWaalsContact O-N 3.08Å; H461-H471 HydrophobicContact CB-CB 4.26Å; H461-H471 AromaticContact ND1-CG 3.84Å; H461-P472 PolarHBondContact NE2-O 3.23Å; H461-W473 HydrophobicContact CB-CH2 3.94Å; H461-W473 HydrophobicContact CB-CZ2 3.69Å; H461-W473 AromaticContact CD2-CD2 3.67Å; H461-W473 AromaticContact CD2-CE2 3.76Å; H461-W473 AromaticContact CD2-CE3 3.87Å; H461-W473 VanDerWaalsContact N-CH2 3.33Å; H461-D477 IonicContact NE2-OD2 3.66Å
462P91.2Very high86.9Confident56 Ų5677.8 Ų77.836%0.36442%0.423SS..THydrogen-bonded Turntrans-58.1-34.4-176.7-25.935.4000114.1D477 E480 A481P462-D477 HydrophobicContact CG-CB 4.32Å; P462-E480 HydrophobicContact CB-CG 4.26Å; P462-E480 HydrophobicContact CG-CB 4.08Å; P462-E480 HydrophobicContact CG-CG 4.01Å; P462-A481 HydrophobicContact CG-CB 4.26Å
463E88.1Confident87Confident139 Ų13976.1 Ų76.165%0.6541%0.406SS*.THydrogen-bonded Turntrans-92.4-1.8179.3-53.9-175.3153.400114.2H461 E465H461-E463 IonicContact CE1-OE2 3.65Å; H461-E463 PolarHBondContact ND1-N 3.05Å; H461-E463 VanDerWaalsContact ND1-N 3.13Å; H461-E463 PolarHBondContact O-N 3.06Å; E463-E465 PolarHBondContact O-N 2.94Å; E463-E465 VanDerWaalsContact O-N 3.11Å
464A84.5Confident87.1Confident8 Ų876.4 Ų76.47%0.06641%0.408CS..  trans-76.9103.5-178.900000110.6R460 H461R460-A464 PolarHBondContact NE-O 3Å; R460-A464 VanDerWaalsContact NE-O 3.14Å; R460-A464 PolarHBondContact NH2-O 3.2Å; H461-A464 HydrophobicContact CB-CB 3.81Å; H461-A464 PolarHBondContact O-N 3.45Å; H461-A464 VanDerWaalsContact O-N 3.08Å
465E78Confident87.3Confident176 Ų17674.7 Ų74.782%0.82240%0.401SS*.SBendtrans-68-47.6168.6-65.1-172.8170.800110.7R460 E463R460-E465 PolarHBondContact NH2-O 3.21Å; E463-E465 PolarHBondContact O-N 2.94Å; E463-E465 VanDerWaalsContact O-N 3.11Å
466D77.9Confident87.5Confident108 Ų10874.5 Ų74.558%0.57839%0.386SS*.SBendtrans-97.5128.7174.7-77.9-35000111.5S468 A469D466-S468 PolarHBondContact O-N 2.99Å; D466-S468 VanDerWaalsContact O-N 3.08Å; D466-A469 HydrophobicContact CB-CB 4.47Å; D466-A469 PolarHBondContact O-N 2.94Å; D466-A469 VanDerWaalsContact O-N 3.14Å
467P69.4Low87.8Confident112 Ų11273.1 Ų73.173%0.72738%0.379SS*.THydrogen-bonded Turntrans-59.9-20177.6-2433.2000115
468S71.7Confident88Confident108 Ų10873 Ų7376%0.75538%0.378SS*.THydrogen-bonded Turntrans-89.6-7-179.755.50000114.2D466D466-S468 PolarHBondContact O-N 2.99Å; D466-S468 VanDerWaalsContact O-N 3.08Å
469A75Confident88.3Confident44 Ų4467.2 Ų67.236%0.36435%0.352SS..  trans-77.3124.9179.600000110.7D466 H471D466-A469 HydrophobicContact CB-CB 4.47Å; D466-A469 PolarHBondContact O-N 2.94Å; D466-A469 VanDerWaalsContact O-N 3.14Å; A469-H471 PolarHBondContact O-CD2 2.95Å; A469-H471 PolarHBondContact O-N 3.49Å
470E79.8Confident88.5Confident199 Ų19969 Ų6993%0.9336%0.36SS*.  trans-79105172.7-70.4-175.2177.100109.8
471H87Confident88.8Confident57 Ų5762.2 Ų62.226%0.26434%0.336SS..PPolyproline II helixtrans-100.1138.7172.4-71.3-96.8000110.8H461 A469 W473H461-H471 HydrophobicContact CB-CB 4.26Å; H461-H471 AromaticContact ND1-CG 3.84Å; A469-H471 PolarHBondContact O-CD2 2.95Å; A469-H471 PolarHBondContact O-N 3.49Å; H471-W473 VanDerWaalsContact O-CD1 3.23Å
472P92.4Very high88.9Confident85 Ų8561.7 Ų61.755%0.55233%0.333SS*.PPolyproline II helixtrans-67134.917128.5-32.8000110.1V104 H461V104-P472 HydrophobicContact CG1-CB 3.66Å; V104-P472 HydrophobicContact CG2-CB 4.13Å; H461-P472 PolarHBondContact NE2-O 3.23Å
473W95.6Very high89.2Confident45 Ų4559 Ų5917%0.1732%0.316CS..PPolyproline II helixtrans-98.6133.2-179.4-67.877000111.2L105 Q454 L459 H461 H471 D477 I478 A481L105-W473 WeakPolarHBondContact CB-O 3.4Å; L105-W473 PolarHBondContact N-O 3.42Å; Q454-W473 HydrophobicContact CB-CZ2 4.42Å; Q454-W473 HydrophobicContact CG-CD2 3.85Å; Q454-W473 HydrophobicContact CG-CE3 4.03Å; Q454-W473 HydrophobicContact CG-CG 4.34Å; Q454-W473 HydrophobicContact CG-CH2 4.29Å; Q454-W473 HydrophobicContact CG-CZ2 4.17Å; Q454-W473 HydrophobicContact CG-CZ3 4.25Å; L459-W473 HydrophobicContact CB-CH2 3.86Å; L459-W473 HydrophobicContact CB-CZ3 4.38Å; H461-W473 HydrophobicContact CB-CH2 3.94Å; H461-W473 HydrophobicContact CB-CZ2 3.69Å; H461-W473 AromaticContact CD2-CD2 3.67Å; H461-W473 AromaticContact CD2-CE2 3.76Å; H461-W473 AromaticContact CD2-CE3 3.87Å; H461-W473 VanDerWaalsContact N-CH2 3.33Å; H471-W473 VanDerWaalsContact O-CD1 3.23Å; W473-D477 HydrophobicContact CE3-CB 3.92Å; W473-D477 HydrophobicContact CZ3-CB 4.45Å; W473-I478 HydrophobicContact CE3-CG1 3.72Å; W473-I478 HydrophobicContact CZ3-CG1 4.28Å; W473-A481 HydrophobicContact CH2-CB 4.29Å; W473-A481 HydrophobicContact CZ3-CB 3.96Å
474C96.8Very high89.6Confident7 Ų757.3 Ų57.35%0.04731%0.308CS..BIsolated β-bridgetrans-100.8174.2159.578.80000111.4A100 R101 Q103 W476 D477 I478A100-C474 PolarHBondContact O-SG 2.59Å; A100-C474 VanDerWaalsContact O-SG 3.33Å; R101-C474 PolarHBondContact O-SG 3.35Å; Q103-C474 WeakPolarHBondContact O-CB 3.46Å; C474-W476 VanDerWaalsContact C-N 3.26Å; C474-W476 PolarHBondContact O-N 3.49Å; C474-D477 PolarHBondContact N-OD2 3.48Å; C474-D477 PolarHBondContact O-N 3.26Å; C474-D477 PolarHBondContact SG-OD2 2.87Å; C474-I478 PolarHBondContact O-N 3.08Å
475A97.6Very high90.1Very high3 Ų361.4 Ų61.43%0.02532%0.324CS..Hα-helixtrans-64.8-33.6179.300000112.4A100 L105 Y441 C479A100-A475 HydrophobicContact CB-CB 4.19Å; A100-A475 PolarHBondContact O-N 3.06Å; L105-A475 HydrophobicContact CD1-CB 4.49Å; Y441-A475 WeakPolarHBondContact O-CB 3.36Å; A475-C479 PolarHBondContact O-N 2.79Å; A475-C479 PolarHBondContact O-SG 3.15Å
476W97.5Very high90.9Very high60 Ų6056 Ų5623%0.22730%0.296CS..Hα-helixtrans-64.1-45175.7-172.4-84.9000111.7A100 R101 Y441 C474 I478 C479 E480 V498A100-W476 WeakPolarHBondContact O-CB 3.35Å; A100-W476 PolarHBondContact O-N 3.39Å; R101-W476 HydrophobicContact CG-CB 3.97Å; R101-W476 HydrophobicContact CG-CD2 3.83Å; R101-W476 HydrophobicContact CG-CE3 3.81Å; R101-W476 HydrophobicContact CG-CG 3.91Å; Y441-W476 HydrophobicContact CD1-CE3 4.48Å; Y441-W476 HydrophobicContact CD2-CE3 4.08Å; Y441-W476 AromaticContact CD2-CZ3 3.97Å; Y441-W476 HydrophobicContact CD2-CZ3 3.97Å; Y441-W476 HydrophobicContact CE1-CZ3 4.24Å; Y441-W476 HydrophobicContact CE2-CE3 4.2Å; Y441-W476 AromaticContact CE2-CZ3 3.62Å; Y441-W476 HydrophobicContact CE2-CZ3 3.62Å; Y441-W476 HydrophobicContact CG-CE3 4.27Å; Y441-W476 HydrophobicContact CG-CZ3 4.47Å; Y441-W476 AromaticContact CZ-CZ3 3.75Å; C474-W476 VanDerWaalsContact C-N 3.26Å; C474-W476 PolarHBondContact O-N 3.49Å; W476-I478 VanDerWaalsContact C-N 3.29Å; W476-I478 PolarHBondContact O-N 3.15Å; W476-C479 WeakPolarHBondContact O-CB 3.48Å; W476-C479 PolarHBondContact O-N 2.94Å; W476-E480 PolarHBondContact NE1-OE2 2.87Å; W476-E480 PolarHBondContact O-N 3.42Å; W476-V498 HydrophobicContact CD2-CG1 4Å; W476-V498 HydrophobicContact CE3-CG1 4.12Å; W476-V498 HydrophobicContact CH2-CB 4.22Å; W476-V498 HydrophobicContact CH2-CG1 4.2Å; W476-V498 HydrophobicContact CH2-CG2 4.38Å; W476-V498 HydrophobicContact CZ2-CB 4.08Å; W476-V498 HydrophobicContact CZ2-CG1 4.09Å; W476-V498 HydrophobicContact CZ2-CG2 3.76Å; W476-V498 HydrophobicContact CZ3-CG1 4.22Å
477D97.4Very high91.6Very high24 Ų2452.7 Ų52.713%0.12829%0.288CS..Hα-helixtrans-60.4-39.3-179.1-55.6-35000112H461 P462 W473 C474 E480 A481H461-D477 IonicContact NE2-OD2 3.66Å; P462-D477 HydrophobicContact CG-CB 4.32Å; W473-D477 HydrophobicContact CE3-CB 3.92Å; W473-D477 HydrophobicContact CZ3-CB 4.45Å; C474-D477 PolarHBondContact N-OD2 3.48Å; C474-D477 PolarHBondContact O-N 3.26Å; C474-D477 PolarHBondContact SG-OD2 2.87Å; D477-E480 PolarHBondContact O-N 2.95Å; D477-A481 VanDerWaalsContact O-CB 3.22Å; D477-A481 WeakPolarHBondContact O-CB 3.42Å; D477-A481 PolarHBondContact O-N 3.24Å
478I97.8Very high92.9Very high0 Ų048.1 Ų48.10%026%0.256CS..Hα-helixtrans-62-46.2175-66.8167.3000110.7L105 V444 A448 V453 Q454 L459 W473 C474 W476 W482 L505L105-I478 HydrophobicContact CD1-CD1 3.4Å; V444-I478 HydrophobicContact CG1-CG2 3.94Å; A448-I478 HydrophobicContact CB-CD1 3.3Å; V453-I478 HydrophobicContact CG1-CG2 4.22Å; Q454-I478 HydrophobicContact CG-CD1 4.48Å; Q454-I478 HydrophobicContact CG-CG1 4.17Å; L459-I478 HydrophobicContact CD1-CG2 3.93Å; W473-I478 HydrophobicContact CE3-CG1 3.72Å; W473-I478 HydrophobicContact CZ3-CG1 4.28Å; C474-I478 PolarHBondContact O-N 3.08Å; W476-I478 VanDerWaalsContact C-N 3.29Å; W476-I478 PolarHBondContact O-N 3.15Å; I478-W482 WeakPolarHBondContact O-CB 3.42Å; I478-W482 PolarHBondContact O-N 2.94Å; I478-L505 HydrophobicContact CG2-CD1 3.95Å
479C98.1Very high94Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-66.9-39.1-179.7-63.40000111.1Y441 A475 W476 W482 A483 V498 A501 A502Y441-C479 HydrophobicContact CD1-CB 4.42Å; A475-C479 PolarHBondContact O-N 2.79Å; A475-C479 PolarHBondContact O-SG 3.15Å; W476-C479 WeakPolarHBondContact O-CB 3.48Å; W476-C479 PolarHBondContact O-N 2.94Å; C479-W482 PolarHBondContact O-N 3.4Å; C479-A483 WeakPolarHBondContact O-CB 3.46Å; C479-A483 PolarHBondContact O-N 3.01Å; C479-V498 HydrophobicContact CB-CG1 3.33Å; C479-A501 WeakPolarHBondContact O-CB 3.37Å; C479-A502 HydrophobicContact CB-CB 4.45Å
480E97.4Very high94.9Very high57 Ų5747 Ų4727%0.26623%0.233SC..Hα-helixtrans-68.3-44.6176.8-178.5157.6-14800112.2P462 W476 D477 W482 A483 E484 N496 V498P462-E480 HydrophobicContact CB-CG 4.26Å; P462-E480 HydrophobicContact CG-CB 4.08Å; P462-E480 HydrophobicContact CG-CG 4.01Å; W476-E480 PolarHBondContact NE1-OE2 2.87Å; W476-E480 PolarHBondContact O-N 3.42Å; D477-E480 PolarHBondContact O-N 2.95Å; E480-W482 VanDerWaalsContact C-N 3.28Å; E480-W482 PolarHBondContact O-N 3.29Å; E480-A483 WeakPolarHBondContact O-CB 3.46Å; E480-A483 PolarHBondContact O-N 3.34Å; E480-A483 VanDerWaalsContact O-N 3.17Å; E480-E484 PolarHBondContact O-N 3.04Å; E480-N496 HydrophobicContact CG-CB 4.22Å; E480-V498 HydrophobicContact CB-CG2 4.26Å
481A96.8Very high95.4Very high7 Ų742.4 Ų42.46%0.05823%0.23CC..Hα-helixtrans-60.4-39.4174.100000111.9L459 R460 P462 W473 D477 E484 K485L459-A481 HydrophobicContact CB-CB 4.14Å; L459-A481 HydrophobicContact CD1-CB 4.4Å; R460-A481 WeakPolarHBondContact O-CB 3.37Å; P462-A481 HydrophobicContact CG-CB 4.26Å; W473-A481 HydrophobicContact CH2-CB 4.29Å; W473-A481 HydrophobicContact CZ3-CB 3.96Å; D477-A481 VanDerWaalsContact O-CB 3.22Å; D477-A481 WeakPolarHBondContact O-CB 3.42Å; D477-A481 PolarHBondContact O-N 3.24Å; A481-E484 PolarHBondContact O-N 3.19Å; A481-K485 WeakPolarHBondContact O-CB 3.49Å; A481-K485 PolarHBondContact O-N 3.3Å
482W97.3Very high95.4Very high0 Ų049.8 Ų49.80%026%0.261CS..Hα-helixtrans-68.3-39.4174.9-176.1-122.1000112.6L271 L457 L459 I478 C479 E480 E484 K485 R486 A501 S504 L505 L508L271-W482 HydrophobicContact CD2-CH2 3.57Å; L271-W482 HydrophobicContact CD2-CZ3 4.29Å; L457-W482 HydrophobicContact CB-CZ3 4.21Å; L457-W482 HydrophobicContact CD1-CD2 4.36Å; L457-W482 HydrophobicContact CD1-CE3 4.03Å; L457-W482 HydrophobicContact CD1-CH2 4.32Å; L457-W482 HydrophobicContact CD1-CZ3 4.01Å; L457-W482 HydrophobicContact CD2-CH2 4.1Å; L457-W482 HydrophobicContact CD2-CZ3 4.12Å; L457-W482 HydrophobicContact CG-CZ3 4.36Å; L459-W482 HydrophobicContact CD2-CB 4.43Å; L459-W482 HydrophobicContact CD2-CE3 3.81Å; I478-W482 WeakPolarHBondContact O-CB 3.42Å; I478-W482 PolarHBondContact O-N 2.94Å; C479-W482 PolarHBondContact O-N 3.4Å; E480-W482 VanDerWaalsContact C-N 3.28Å; E480-W482 PolarHBondContact O-N 3.29Å; W482-E484 VanDerWaalsContact C-N 3.35Å; W482-K485 HydrophobicContact CE3-CB 4.41Å; W482-K485 HydrophobicContact CE3-CD 4.31Å; W482-K485 HydrophobicContact CZ3-CD 4.19Å; W482-K485 PolarHBondContact O-N 3.27Å; W482-R486 HydrophobicContact CD2-CG 3.81Å; W482-R486 HydrophobicContact CE3-CG 4.07Å; W482-R486 HydrophobicContact CG-CG 4.47Å; W482-R486 HydrophobicContact CH2-CG 4.06Å; W482-R486 HydrophobicContact CZ2-CG 3.74Å; W482-R486 HydrophobicContact CZ3-CG 4.19Å; W482-R486 WeakPolarHBondContact O-CB 3.07Å; W482-R486 WeakPolarHBondContact O-CG 3.48Å; W482-R486 PolarHBondContact O-N 2.85Å; W482-A501 HydrophobicContact CB-CB 4.33Å; W482-A501 HydrophobicContact CG-CB 4.41Å; W482-S504 PolarHBondContact NE1-OG 2.82Å; W482-S504 VanDerWaalsContact NE1-OG 3.09Å; W482-L505 HydrophobicContact CB-CD1 4.09Å; W482-L505 HydrophobicContact CB-CD2 4.39Å; W482-L505 HydrophobicContact CB-CG 4.4Å; W482-L505 HydrophobicContact CD2-CD2 4Å; W482-L505 HydrophobicContact CG-CD1 4.17Å; W482-L505 HydrophobicContact CG-CD2 3.83Å; W482-L505 HydrophobicContact CG-CG 3.94Å; W482-L508 HydrophobicContact CH2-CD1 4.28Å; W482-L508 HydrophobicContact CZ2-CD1 3.72Å
483A97.6Very high95.3Very high0 Ų048.6 Ų48.60%026%0.258CS..Hα-helixtrans-59.8-45.5173.900000111.2C479 E480 R486 G487 Y488 N496 A501C479-A483 WeakPolarHBondContact O-CB 3.46Å; C479-A483 PolarHBondContact O-N 3.01Å; E480-A483 WeakPolarHBondContact O-CB 3.46Å; E480-A483 PolarHBondContact O-N 3.34Å; E480-A483 VanDerWaalsContact O-N 3.17Å; A483-R486 PolarHBondContact O-N 3.32Å; A483-G487 CarbonylContact O-C 3.58Å; A483-G487 PolarHBondContact O-N 3.24Å; A483-Y488 PolarHBondContact O-N 2.93Å; A483-N496 HydrophobicContact CB-CB 3.83Å; A483-A501 HydrophobicContact CB-CB 3.69Å
484E95.9Very high95.1Very high104 Ų10450 Ų5049%0.48628%0.279SS..Hα-helixtrans-61.1-51.2176.5-16864.1-136.800110.9E480 A481 W482 R486 G487 K489 N496E480-E484 PolarHBondContact O-N 3.04Å; A481-E484 PolarHBondContact O-N 3.19Å; W482-E484 VanDerWaalsContact C-N 3.35Å; E484-R486 VanDerWaalsContact C-N 3.26Å; E484-R486 PolarHBondContact O-N 2.94Å; E484-G487 PolarHBondContact O-N 3.35Å; E484-K489 IonicContact OE1-NZ 3.7Å; E484-K489 PolarHBondContact OE1-NZ 3.04Å; E484-K489 IonicContact OE2-NZ 2.73Å; E484-K489 PolarHBondContact OE2-NZ 3.18Å; E484-N496 VanDerWaalsContact OE2-CG 3.29Å; E484-N496 PolarHBondContact OE2-ND2 2.94Å; E484-N496 PolarHBondContact OE2-OD1 2.67Å
485K94.5Very high94.9Very high94 Ų9458.8 Ų58.841%0.40931%0.312SS..Hα-helixtrans-59.7-35.2-178.8-176.5166.8-174.4164.60113L457 H458 L459 A481 W482L457-K485 PolarHBondContact O-NZ 3.03Å; H458-K485 PolarHBondContact O-NZ 3.33Å; H458-K485 VanDerWaalsContact O-NZ 3.16Å; L459-K485 HydrophobicContact CD2-CD 4.07Å; A481-K485 WeakPolarHBondContact O-CB 3.49Å; A481-K485 PolarHBondContact O-N 3.3Å; W482-K485 HydrophobicContact CE3-CB 4.41Å; W482-K485 HydrophobicContact CE3-CD 4.31Å; W482-K485 HydrophobicContact CZ3-CD 4.19Å; W482-K485 PolarHBondContact O-N 3.27Å
486R94.2Very high94.9Very high61 Ų6160 Ų6023%0.2332%0.318CS..THydrogen-bonded Turntrans-90.4-2.5178.6-70-63.6-155.6157.75.3114W482 A483 E484 Y488W482-R486 HydrophobicContact CD2-CG 3.81Å; W482-R486 HydrophobicContact CE3-CG 4.07Å; W482-R486 HydrophobicContact CG-CG 4.47Å; W482-R486 HydrophobicContact CH2-CG 4.06Å; W482-R486 HydrophobicContact CZ2-CG 3.74Å; W482-R486 HydrophobicContact CZ3-CG 4.19Å; W482-R486 WeakPolarHBondContact O-CB 3.07Å; W482-R486 WeakPolarHBondContact O-CG 3.48Å; W482-R486 PolarHBondContact O-N 2.85Å; A483-R486 PolarHBondContact O-N 3.32Å; E484-R486 VanDerWaalsContact C-N 3.26Å; E484-R486 PolarHBondContact O-N 2.94Å; R486-Y488 HydrophobicContact CB-CD1 3.81Å; R486-Y488 HydrophobicContact CB-CD2 3.87Å; R486-Y488 HydrophobicContact CB-CE1 3.65Å; R486-Y488 HydrophobicContact CB-CE2 3.71Å; R486-Y488 HydrophobicContact CB-CG 3.91Å; R486-Y488 HydrophobicContact CG-CE1 4.46Å; R486-Y488 HydrophobicContact CG-CE2 4.02Å; R486-Y488 PolarHBondContact O-N 3.44Å
487G94.1Very high94.9Very high39 Ų3959 Ų5940%0.40232%0.317SS..THydrogen-bonded Turntrans64.224.7-174.100000113.7A483 E484 K489A483-G487 CarbonylContact O-C 3.58Å; A483-G487 PolarHBondContact O-N 3.24Å; E484-G487 PolarHBondContact O-N 3.35Å; G487-K489 PolarHBondContact O-N 2.98Å
488Y96.1Very high94.8Very high17 Ų1758.4 Ų58.47%0.06731%0.314CS..  trans-73.5101.4176.4-63.4-18.4000109.5A483 R486 N496 D497 R500 A501A483-Y488 PolarHBondContact O-N 2.93Å; R486-Y488 HydrophobicContact CB-CD1 3.81Å; R486-Y488 HydrophobicContact CB-CD2 3.87Å; R486-Y488 HydrophobicContact CB-CE1 3.65Å; R486-Y488 HydrophobicContact CB-CE2 3.71Å; R486-Y488 HydrophobicContact CB-CG 3.91Å; R486-Y488 HydrophobicContact CG-CE1 4.46Å; R486-Y488 HydrophobicContact CG-CE2 4.02Å; R486-Y488 PolarHBondContact O-N 3.44Å; Y488-N496 WeakPolarHBondContact O-CA 3.49Å; Y488-D497 PolarHBondContact O-N 3.35Å; Y488-R500 HydrophobicContact CD2-CB 4.37Å; Y488-R500 HydrophobicContact CD2-CG 3.92Å; Y488-R500 HydrophobicContact CE2-CG 4.2Å; Y488-R500 HydrophobicContact CG-CG 4.13Å; Y488-A501 HydrophobicContact CD2-CB 4.08Å
489K95.8Very high94.7Very high83 Ų8362 Ų6236%0.36133%0.328SS..BIsolated β-bridgetrans-116.5143.6177.6-54.6-66.2-177.8175.80110.8E484 G487 R495 N496E484-K489 IonicContact OE1-NZ 3.7Å; E484-K489 PolarHBondContact OE1-NZ 3.04Å; E484-K489 IonicContact OE2-NZ 2.73Å; E484-K489 PolarHBondContact OE2-NZ 3.18Å; G487-K489 PolarHBondContact O-N 2.98Å; K489-R495 CarbonylContact C-O 3.28Å; K489-R495 WeakPolarHBondContact CA-O 3.49Å; K489-N496 WeakPolarHBondContact CD-OD1 3.48Å; K489-N496 WeakPolarHBondContact CE-OD1 3.24Å; K489-N496 PolarHBondContact NZ-OD1 3.01Å
490T94Very high94.6Very high45 Ų4566.5 Ų66.528%0.27635%0.345SS..  trans-69.4134.9174.453.60000110.8K492 A494 R495 D497T490-K492 VanDerWaalsContact C-N 3.27Å; T490-K492 PolarHBondContact O-N 2.94Å; T490-K492 VanDerWaalsContact O-N 3.16Å; T490-A494 WeakPolarHBondContact O-CA 3.39Å; T490-A494 PolarHBondContact O-N 3.34Å; T490-R495 PolarHBondContact N-O 3.06Å; T490-R495 PolarHBondContact OG1-N 3.48Å; T490-R495 VanDerWaalsContact OG1-N 3.17Å; T490-R495 PolarHBondContact OG1-O 3.24Å; T490-R495 VanDerWaalsContact OG1-O 3.06Å; T490-D497 HydrophobicContact CG2-CB 3.92Å
491A89.2Confident94.7Very high103 Ų10363.8 Ų63.885%0.85133%0.332SS*.THydrogen-bonded Turntrans-59.3-32.5-172.700000114.6
492K87.3Confident94.7Very high211 Ų21163.4 Ų63.492%0.91733%0.329SS*.THydrogen-bonded Turntrans-93.5-37.5-174.4-68-179.6-178169.60114.2T490T490-K492 VanDerWaalsContact C-N 3.27Å; T490-K492 PolarHBondContact O-N 2.94Å; T490-K492 VanDerWaalsContact O-N 3.16Å
493A89.9Confident94.7Very high60 Ų6063.7 Ų63.750%0.49633%0.331SS..THydrogen-bonded Turntrans-111.1-6.3-169.600000113.4R495A493-R495 HydrophobicContact CB-CG 4Å; A493-R495 PolarHBondContact O-N 3.49Å
494A91Very high94.6Very high75 Ų7564.3 Ų64.362%0.6234%0.335SS*.  trans52.521.8-173.800000114.1T490T490-A494 WeakPolarHBondContact O-CA 3.39Å; T490-A494 PolarHBondContact O-N 3.34Å
495R94.3Very high94.7Very high192 Ų19259.4 Ų59.473%0.72531%0.312SS*.  trans-83.2156.6172.9-64.5-178.4-176.6-176.5-1.2110.1K489 T490 A493 D497K489-R495 CarbonylContact C-O 3.28Å; K489-R495 WeakPolarHBondContact CA-O 3.49Å; T490-R495 PolarHBondContact N-O 3.06Å; T490-R495 PolarHBondContact OG1-N 3.48Å; T490-R495 VanDerWaalsContact OG1-N 3.17Å; T490-R495 PolarHBondContact OG1-O 3.24Å; T490-R495 VanDerWaalsContact OG1-O 3.06Å; A493-R495 HydrophobicContact CB-CG 4Å; A493-R495 PolarHBondContact O-N 3.49Å; R495-D497 PolarHBondContact O-N 3.31Å
496N96.2Very high94.9Very high28 Ų2854.9 Ų54.915%0.1529%0.293CS..BIsolated β-bridgetrans-53.6124.5173.6-74.9-19.1000111.5E480 A483 E484 Y488 K489 V498E480-N496 HydrophobicContact CG-CB 4.22Å; A483-N496 HydrophobicContact CB-CB 3.83Å; E484-N496 VanDerWaalsContact OE2-CG 3.29Å; E484-N496 PolarHBondContact OE2-ND2 2.94Å; E484-N496 PolarHBondContact OE2-OD1 2.67Å; Y488-N496 WeakPolarHBondContact O-CA 3.49Å; K489-N496 WeakPolarHBondContact CD-OD1 3.48Å; K489-N496 WeakPolarHBondContact CE-OD1 3.24Å; K489-N496 PolarHBondContact NZ-OD1 3.01Å; N496-V498 VanDerWaalsContact C-N 3.29Å; N496-V498 PolarHBondContact O-N 2.85Å; N496-V498 VanDerWaalsContact O-N 3.07Å
497D97.1Very high94.9Very high40 Ų4056 Ų5621%0.21430%0.297CS..  trans-83.380.4175.3-170.3-17.4000109.3Y488 T490 R495 Y499 R500 A501Y488-D497 PolarHBondContact O-N 3.35Å; T490-D497 HydrophobicContact CG2-CB 3.92Å; R495-D497 PolarHBondContact O-N 3.31Å; D497-Y499 PolarHBondContact O-N 3.28Å; D497-Y499 PolarHBondContact OD1-N 3.14Å; D497-R500 HydrophobicContact CB-CB 4.08Å; D497-R500 VanDerWaalsContact CG-CB 3.41Å; D497-R500 PolarHBondContact O-N 2.61Å; D497-R500 WeakPolarHBondContact OD1-CB 3.43Å; D497-R500 PolarHBondContact OD1-N 3.45Å; D497-R500 WeakPolarHBondContact OD2-CB 3.22Å; D497-A501 WeakPolarHBondContact O-CB 3.4Å; D497-A501 PolarHBondContact O-N 2.85Å
498V96.3Very high95Very high10 Ų1054.6 Ų54.66%0.06128%0.28CS..Hα-helixtrans-61-32.6-178.6-1710000111.2Y441 W476 C479 E480 N496 A501 A502Y441-V498 HydrophobicContact CD1-CG1 4.12Å; Y441-V498 HydrophobicContact CE1-CB 4.34Å; Y441-V498 HydrophobicContact CE1-CG1 3.75Å; W476-V498 HydrophobicContact CD2-CG1 4Å; W476-V498 HydrophobicContact CE3-CG1 4.12Å; W476-V498 HydrophobicContact CH2-CB 4.22Å; W476-V498 HydrophobicContact CH2-CG1 4.2Å; W476-V498 HydrophobicContact CH2-CG2 4.38Å; W476-V498 HydrophobicContact CZ2-CB 4.08Å; W476-V498 HydrophobicContact CZ2-CG1 4.09Å; W476-V498 HydrophobicContact CZ2-CG2 3.76Å; W476-V498 HydrophobicContact CZ3-CG1 4.22Å; C479-V498 HydrophobicContact CB-CG1 3.33Å; E480-V498 HydrophobicContact CB-CG2 4.26Å; N496-V498 VanDerWaalsContact C-N 3.29Å; N496-V498 PolarHBondContact O-N 2.85Å; N496-V498 VanDerWaalsContact O-N 3.07Å; V498-A501 PolarHBondContact O-N 3.46Å; V498-A502 WeakPolarHBondContact O-CB 3.45Å; V498-A502 PolarHBondContact O-N 3.23Å
499Y96.1Very high94.9Very high75 Ų7554 Ų5429%0.29428%0.279SS..Hα-helixtrans-68.6-48.6178.6-175.3-96.8000111.6I437 P440 D497 A501 A502 N503I437-Y499 WeakPolarHBondContact O-CE2 3.48Å; I437-Y499 PolarHBondContact O-OH 3.29Å; P440-Y499 HydrophobicContact CG-CD2 3.85Å; P440-Y499 HydrophobicContact CG-CE2 3.83Å; D497-Y499 PolarHBondContact O-N 3.28Å; D497-Y499 PolarHBondContact OD1-N 3.14Å; Y499-A501 VanDerWaalsContact C-N 3.27Å; Y499-A501 PolarHBondContact O-N 3.43Å; Y499-A502 PolarHBondContact O-N 3.15Å; Y499-N503 WeakPolarHBondContact CE1-ND2 3.35Å; Y499-N503 PolarHBondContact O-N 3.38Å
500R96.3Very high94.8Very high95 Ų9550.7 Ų50.736%0.35827%0.265SS..Hα-helixtrans-59-41174.1-176.8178.1179.7-176.3-0.2111.6Y488 D497 N503 S504Y488-R500 HydrophobicContact CD2-CB 4.37Å; Y488-R500 HydrophobicContact CD2-CG 3.92Å; Y488-R500 HydrophobicContact CE2-CG 4.2Å; Y488-R500 HydrophobicContact CG-CG 4.13Å; D497-R500 HydrophobicContact CB-CB 4.08Å; D497-R500 VanDerWaalsContact CG-CB 3.41Å; D497-R500 PolarHBondContact O-N 2.61Å; D497-R500 WeakPolarHBondContact OD1-CB 3.43Å; D497-R500 PolarHBondContact OD1-N 3.45Å; D497-R500 WeakPolarHBondContact OD2-CB 3.22Å; R500-N503 PolarHBondContact O-N 3.14Å; R500-S504 WeakPolarHBondContact O-CB 3.48Å; R500-S504 PolarHBondContact O-N 3.2Å
501A97.8Very high94.6Very high0 Ų050.1 Ų50.10%026%0.261CS..Hα-helixtrans-62.3-46.617600000112.6C479 W482 A483 Y488 D497 V498 Y499 N503 S504 L505C479-A501 WeakPolarHBondContact O-CB 3.37Å; W482-A501 HydrophobicContact CB-CB 4.33Å; W482-A501 HydrophobicContact CG-CB 4.41Å; A483-A501 HydrophobicContact CB-CB 3.69Å; Y488-A501 HydrophobicContact CD2-CB 4.08Å; D497-A501 WeakPolarHBondContact O-CB 3.4Å; D497-A501 PolarHBondContact O-N 2.85Å; V498-A501 PolarHBondContact O-N 3.46Å; Y499-A501 VanDerWaalsContact C-N 3.27Å; Y499-A501 PolarHBondContact O-N 3.43Å; A501-N503 PolarHBondContact O-N 3.35Å; A501-S504 WeakPolarHBondContact O-CB 2.98Å; A501-S504 PolarHBondContact O-N 3.21Å; A501-L505 WeakPolarHBondContact O-CG 3.49Å; A501-L505 PolarHBondContact O-N 3.19Å
502A98.1Very high94.6Very high0 Ų045.3 Ų45.30%022%0.221CC..Hα-helixtrans-59.8-47.2177.100000111.8P440 Y441 V444 C479 V498 Y499 S504 L505 L506P440-A502 HydrophobicContact CB-CB 3.9Å; P440-A502 HydrophobicContact CG-CB 3.54Å; Y441-A502 HydrophobicContact CD1-CB 3.65Å; Y441-A502 HydrophobicContact CE1-CB 3.85Å; V444-A502 HydrophobicContact CG2-CB 4.13Å; C479-A502 HydrophobicContact CB-CB 4.45Å; V498-A502 WeakPolarHBondContact O-CB 3.45Å; V498-A502 PolarHBondContact O-N 3.23Å; Y499-A502 PolarHBondContact O-N 3.15Å; A502-S504 VanDerWaalsContact C-N 3.29Å; A502-S504 PolarHBondContact O-N 2.78Å; A502-L505 PolarHBondContact O-N 3.38Å; A502-L506 WeakPolarHBondContact O-CG 3.33Å; A502-L506 PolarHBondContact O-N 3.18Å
503N97.2Very high94.7Very high5 Ų538.5 Ų38.53%0.02719%0.19CC..Hα-helixtrans-61.4-37.4176.2-74.8-8.4000112.2I434 Y499 R500 A501 R507I434-N503 HydrophobicContact CG2-CB 3.9Å; Y499-N503 WeakPolarHBondContact CE1-ND2 3.35Å; Y499-N503 PolarHBondContact O-N 3.38Å; R500-N503 PolarHBondContact O-N 3.14Å; A501-N503 PolarHBondContact O-N 3.35Å; N503-R507 VanDerWaalsContact O-CG 3.31Å; N503-R507 WeakPolarHBondContact O-CG 3.43Å; N503-R507 PolarHBondContact O-N 2.93Å
504S96.2Very high94.8Very high14 Ų1435.6 Ų35.610%0.09817%0.166CC..Hα-helixtrans-61.8-46.8174173.80000112W482 R500 A501 A502 L506 R507 L508W482-S504 PolarHBondContact NE1-OG 2.82Å; W482-S504 VanDerWaalsContact NE1-OG 3.09Å; R500-S504 WeakPolarHBondContact O-CB 3.48Å; R500-S504 PolarHBondContact O-N 3.2Å; A501-S504 WeakPolarHBondContact O-CB 2.98Å; A501-S504 PolarHBondContact O-N 3.21Å; A502-S504 VanDerWaalsContact C-N 3.29Å; A502-S504 PolarHBondContact O-N 2.78Å; S504-L506 PolarHBondContact O-N 3.45Å; S504-R507 PolarHBondContact O-N 3.21Å; S504-L508 WeakPolarHBondContact O-CG 3.37Å; S504-L508 PolarHBondContact O-N 3.16Å
505L97.6Very high94.7Very high0 Ų034 Ų340%015%0.15CC..Hα-helixtrans-61.8-43.6177.8-69.5168.7000112.2V444 V453 L457 I478 W482 A501 A502 R507 L508 A509 L514V444-L505 HydrophobicContact CG1-CD1 3.75Å; V444-L505 HydrophobicContact CG2-CB 4.19Å; V444-L505 HydrophobicContact CG2-CD1 4.34Å; V453-L505 HydrophobicContact CG1-CD2 4.48Å; L457-L505 HydrophobicContact CD1-CD2 3.31Å; I478-L505 HydrophobicContact CG2-CD1 3.95Å; W482-L505 HydrophobicContact CB-CD1 4.09Å; W482-L505 HydrophobicContact CB-CD2 4.39Å; W482-L505 HydrophobicContact CB-CG 4.4Å; W482-L505 HydrophobicContact CD2-CD2 4Å; W482-L505 HydrophobicContact CG-CD1 4.17Å; W482-L505 HydrophobicContact CG-CD2 3.83Å; W482-L505 HydrophobicContact CG-CG 3.94Å; A501-L505 WeakPolarHBondContact O-CG 3.49Å; A501-L505 PolarHBondContact O-N 3.19Å; A502-L505 PolarHBondContact O-N 3.38Å; L505-R507 VanDerWaalsContact C-N 3.34Å; L505-R507 PolarHBondContact O-N 2.66Å; L505-L508 WeakPolarHBondContact O-CB 3.46Å; L505-L508 PolarHBondContact O-N 3.27Å; L505-A509 PolarHBondContact O-N 3.45Å; L505-L514 HydrophobicContact CD2-CD1 4.36Å
506L97.7Very high94.8Very high0 Ų025.5 Ų25.50%012%0.119CC..Hα-helixtrans-63.7-39.6177.4-64.8175.7000111.9V427 L428 I434 I437 P440 A443 V444 A502 S504 A509 V510V427-L506 HydrophobicContact CG1-CD1 3.74Å; V427-L506 HydrophobicContact CG1-CD2 4.1Å; V427-L506 HydrophobicContact CG1-CG 4.37Å; L428-L506 HydrophobicContact CD2-CD2 3.64Å; L428-L506 HydrophobicContact CG-CD2 4.5Å; I434-L506 HydrophobicContact CD1-CB 3.76Å; I434-L506 HydrophobicContact CG1-CB 4.19Å; I434-L506 HydrophobicContact CG2-CB 4.18Å; I434-L506 HydrophobicContact CG2-CD1 4.25Å; I437-L506 HydrophobicContact CD1-CD1 4.34Å; P440-L506 HydrophobicContact CB-CD1 3.58Å; A443-L506 HydrophobicContact CB-CD1 4.4Å; A443-L506 HydrophobicContact CB-CD2 3.76Å; V444-L506 HydrophobicContact CG2-CD2 3.94Å; V444-L506 HydrophobicContact CG2-CG 4.02Å; A502-L506 WeakPolarHBondContact O-CG 3.33Å; A502-L506 PolarHBondContact O-N 3.18Å; S504-L506 PolarHBondContact O-N 3.45Å; L506-A509 PolarHBondContact O-N 3.16Å; L506-V510 WeakPolarHBondContact O-CG2 3.29Å; L506-V510 PolarHBondContact O-N 3.16Å
507R95.7Very high94.8Very high83 Ų8325 Ų2531%0.31312%0.117SC..Hα-helixtrans-62.9-42.7174-73.3177.8-176.4119.3-8.9111.5I434 N503 S504 L505 A509 V510 D511I434-R507 HydrophobicContact CD1-CG 3.86Å; N503-R507 VanDerWaalsContact O-CG 3.31Å; N503-R507 WeakPolarHBondContact O-CG 3.43Å; N503-R507 PolarHBondContact O-N 2.93Å; S504-R507 PolarHBondContact O-N 3.21Å; L505-R507 VanDerWaalsContact C-N 3.34Å; L505-R507 PolarHBondContact O-N 2.66Å; R507-A509 PolarHBondContact O-N 2.98Å; R507-V510 PolarHBondContact O-N 3.06Å; R507-D511 WeakPolarHBondContact O-CB 3.4Å; R507-D511 PolarHBondContact O-N 2.78Å
508L94.3Very high94.8Very high11 Ų1123.2 Ų23.26%0.05811%0.108CC..Hα-helixtrans-59-36174.4-68.5173.5000112.6W482 S504 L505 G512 R513 L514W482-L508 HydrophobicContact CH2-CD1 4.28Å; W482-L508 HydrophobicContact CZ2-CD1 3.72Å; S504-L508 WeakPolarHBondContact O-CG 3.37Å; S504-L508 PolarHBondContact O-N 3.16Å; L505-L508 WeakPolarHBondContact O-CB 3.46Å; L505-L508 PolarHBondContact O-N 3.27Å; L508-G512 PolarHBondContact O-N 3.17Å; L508-R513 HydrophobicContact CD2-CB 4.36Å; L508-R513 HydrophobicContact CD2-CG 4.47Å; L508-R513 WeakPolarHBondContact O-CB 3.47Å; L508-R513 PolarHBondContact O-N 3Å; L508-L514 HydrophobicContact CB-CD1 3.96Å; L508-L514 HydrophobicContact CB-CG 4.09Å; L508-L514 HydrophobicContact CD1-CD1 4.39Å; L508-L514 PolarHBondContact O-N 2.66Å
509A95.2Very high94.9Very high4 Ų424 Ų243%0.03311%0.111CC..Hα-helixtrans-71.8-49.917700000112.6R198 L428 L447 L505 L506 R507 D511 G512 L514R198-A509 PolarHBondContact NH1-O 3.01Å; L428-A509 HydrophobicContact CD2-CB 3.89Å; L447-A509 HydrophobicContact CD1-CB 4.25Å; L447-A509 HydrophobicContact CD2-CB 3.74Å; L505-A509 PolarHBondContact O-N 3.45Å; L506-A509 PolarHBondContact O-N 3.16Å; R507-A509 PolarHBondContact O-N 2.98Å; A509-D511 PolarHBondContact O-N 3.32Å; A509-G512 PolarHBondContact O-N 3.06Å; A509-L514 WeakPolarHBondContact CA-O 3.49Å; A509-L514 HydrophobicContact CB-CB 4.23Å
510V93.5Very high95Very high13 Ų1320.8 Ų20.88%0.07910%0.099CC..Hα-helixtrans-57.9-38.8177.1171.30000111R198 V427 I434 L506 R507 G512R198-V510 PolarHBondContact NH1-O 2.82Å; R198-V510 PolarHBondContact NH2-O 3.34Å; R198-V510 VanDerWaalsContact NH2-O 3.12Å; V427-V510 WeakPolarHBondContact O-CG2 3.46Å; I434-V510 HydrophobicContact CD1-CG2 3.91Å; L506-V510 WeakPolarHBondContact O-CG2 3.29Å; L506-V510 PolarHBondContact O-N 3.16Å; R507-V510 PolarHBondContact O-N 3.06Å; V510-G512 PolarHBondContact O-N 2.82Å
511D89.9Confident95Very high34 Ų3418.9 Ų18.918%0.18210%0.099CC..THydrogen-bonded Turntrans-68.3-12.1177-73.49.9000114.3R390 R507 A509 R513R390-D511 VanDerWaalsContact CD-OD1 3.27Å; R390-D511 WeakPolarHBondContact CD-OD1 3.4Å; R390-D511 VanDerWaalsContact CZ-CG 3.4Å; R390-D511 IonicContact CZ-OD1 2.66Å; R390-D511 IonicContact CZ-OD2 3.44Å; R390-D511 VanDerWaalsContact CZ-OD2 3.3Å; R390-D511 IonicContact NE-OD1 2.56Å; R390-D511 PolarHBondContact NE-OD1 3.42Å; R390-D511 IonicContact NE-OD2 2.75Å; R390-D511 IonicContact NH1-OD1 3.92Å; R390-D511 PolarHBondContact NH1-OD1 3.32Å; R390-D511 IonicContact NH1-OD2 3.85Å; R390-D511 PolarHBondContact NH1-OD2 3.3Å; R390-D511 IonicContact NH2-OD2 3.8Å; R507-D511 WeakPolarHBondContact O-CB 3.4Å; R507-D511 PolarHBondContact O-N 2.78Å; A509-D511 PolarHBondContact O-N 3.32Å; D511-R513 HydrophobicContact CB-CG 4.2Å
512G89.6Confident94.9Very high2 Ų219.8 Ų19.82%0.02111%0.108CC..THydrogen-bonded Turntrans78.117.3-178.300000114.2R259 L508 A509 V510R259-G512 PolarHBondContact NH2-O 3.33Å; L508-G512 PolarHBondContact O-N 3.17Å; A509-G512 PolarHBondContact O-N 3.06Å; V510-G512 PolarHBondContact O-N 2.82Å
513R87.8Confident94.9Very high67 Ų6720.4 Ų20.425%0.25311%0.11SC..SBendtrans-81.8-39.4171.4-51.8-162.8-159.5-173.8-0.3111.3V270 L271 K272 L508 D511V270-R513 HydrophobicContact CG1-CB 4.1Å; V270-R513 WeakPolarHBondContact O-CD 3.25Å; V270-R513 PolarHBondContact O-NH1 3.09Å; L271-R513 PolarHBondContact O-NH1 3.34Å; K272-R513 PolarHBondContact O-NH1 3.09Å; L508-R513 HydrophobicContact CD2-CB 4.36Å; L508-R513 HydrophobicContact CD2-CG 4.47Å; L508-R513 WeakPolarHBondContact O-CB 3.47Å; L508-R513 PolarHBondContact O-N 3Å; D511-R513 HydrophobicContact CB-CG 4.2Å
514L92.1Very high94.8Very high0 Ų021.6 Ų21.60%012%0.119CC..SBendtrans-99.976.7162.8-66.5177.1000107.6V270 L447 I451 V453 L456 L457 L505 L508 A509 L516V270-L514 HydrophobicContact CG1-CD2 4Å; V270-L514 HydrophobicContact CG1-CG 4.29Å; L447-L514 HydrophobicContact CD2-CD1 4.27Å; I451-L514 HydrophobicContact CD1-CB 3.83Å; I451-L514 HydrophobicContact CD1-CD2 4.44Å; V453-L514 HydrophobicContact CG1-CD1 4.49Å; L456-L514 HydrophobicContact CB-CD2 4.37Å; L456-L514 HydrophobicContact CD1-CD2 4.07Å; L457-L514 HydrophobicContact CD1-CD1 4.29Å; L457-L514 HydrophobicContact CD2-CD2 4.31Å; L457-L514 HydrophobicContact CG-CD2 4.42Å; L505-L514 HydrophobicContact CD2-CD1 4.36Å; L508-L514 HydrophobicContact CB-CD1 3.96Å; L508-L514 HydrophobicContact CB-CG 4.09Å; L508-L514 HydrophobicContact CD1-CD1 4.39Å; L508-L514 PolarHBondContact O-N 2.66Å; A509-L514 WeakPolarHBondContact CA-O 3.49Å; A509-L514 HydrophobicContact CB-CB 4.23Å; L514-L516 PolarHBondContact O-N 3.07Å; L514-L516 VanDerWaalsContact O-N 3.15Å
515S90.4Very high94.7Very high42 Ų4229.2 Ų29.229%0.29415%0.153SC..  trans-72.9108.4-171.9-158.10000111.2L229L229-S515 PolarHBondContact O-OG 2.89Å
516L95Very high94.7Very high13 Ų1333.7 Ų33.77%0.06817%0.174CC..  trans-95.5111.6168.2174.762.8000108.7L113 L428 Y446 L447 R450 I451 L514 F518L113-L516 HydrophobicContact CD2-CD1 3.97Å; L428-L516 HydrophobicContact CD1-CD2 3.9Å; Y446-L516 HydrophobicContact CE1-CD2 4.46Å; L447-L516 HydrophobicContact CD1-CB 3.81Å; L447-L516 HydrophobicContact CD1-CD2 4.05Å; L447-L516 HydrophobicContact CD1-CG 4.44Å; R450-L516 HydrophobicContact CB-CD1 3.65Å; R450-L516 HydrophobicContact CG-CD1 4.37Å; I451-L516 HydrophobicContact CG2-CD1 4.07Å; L514-L516 PolarHBondContact O-N 3.07Å; L514-L516 VanDerWaalsContact O-N 3.15Å; L516-F518 HydrophobicContact CD1-CE2 4.4Å; L516-F518 HydrophobicContact CD2-CE2 3.84Å; L516-F518 HydrophobicContact CD2-CZ 4.32Å; L516-F518 HydrophobicContact CG-CD2 4.5Å; L516-F518 HydrophobicContact CG-CE2 3.9Å
517C96.5Very high94.5Very high17 Ų1738.5 Ų38.512%0.11520%0.195CC..  trans-108.7136.3175.7-60.90000110.3R198 L234R198-C517 WeakPolarHBondContact O-CA 3.08Å; L234-C517 HydrophobicContact CD2-CB 3.61Å
518F97.7Very high94.4Very high3 Ų336.8 Ų36.81%0.01320%0.203CC..  trans-96.5157.2167.2-73.7-95.3000110L113 L115 R198 H199 W238 L425 Y446 L516L113-F518 CarbonylContact O-C 3.58Å; L113-F518 VanDerWaalsContact O-CA 3.28Å; L113-F518 WeakPolarHBondContact O-CA 3.36Å; L113-F518 VanDerWaalsContact O-CD1 3.31Å; L113-F518 WeakPolarHBondContact O-CD1 3.45Å; L115-F518 HydrophobicContact CB-CB 4.32Å; L115-F518 HydrophobicContact CB-CD1 3.92Å; L115-F518 HydrophobicContact CB-CG 4.44Å; L115-F518 HydrophobicContact CD2-CD1 4.17Å; L115-F518 HydrophobicContact CD2-CG 4.37Å; R198-F518 PolarHBondContact O-N 3.17Å; H199-F518 HydrophobicContact CB-CD2 4.25Å; W238-F518 WeakPolarHBondContact CZ2-O 3.33Å; W238-F518 PolarHBondContact NE1-O 3.46Å; L425-F518 HydrophobicContact CD1-CD2 4.29Å; L425-F518 HydrophobicContact CD1-CE2 3.36Å; L425-F518 HydrophobicContact CD1-CZ 3.76Å; L425-F518 HydrophobicContact CD2-CE1 4.2Å; L425-F518 HydrophobicContact CD2-CE2 3.9Å; L425-F518 HydrophobicContact CD2-CZ 3.64Å; L425-F518 HydrophobicContact CG-CE2 4.31Å; L425-F518 HydrophobicContact CG-CZ 4.37Å; Y446-F518 HydrophobicContact CE1-CZ 4.1Å; L516-F518 HydrophobicContact CD1-CE2 4.4Å; L516-F518 HydrophobicContact CD2-CE2 3.84Å; L516-F518 HydrophobicContact CD2-CZ 4.32Å; L516-F518 HydrophobicContact CG-CD2 4.5Å; L516-F518 HydrophobicContact CG-CE2 3.9Å
519H97.8Very high94.5Very high27 Ų2740.5 Ų40.513%0.12523%0.226CC..BIsolated β-bridgetrans-117.8153-174.4-42.3131.8000111.6L113 E114 L115 L234 W238 Y523L113-H519 VanDerWaalsContact CB-CE1 3.48Å; L113-H519 WeakPolarHBondContact CB-CE1 3.38Å; L113-H519 WeakPolarHBondContact CB-ND1 3.2Å; L113-H519 PolarHBondContact O-N 2.89Å; E114-H519 VanDerWaalsContact CA-O 3.32Å; E114-H519 WeakPolarHBondContact CA-O 3.06Å; E114-H519 HydrophobicContact CG-CB 4.21Å; L115-H519 PolarHBondContact N-O 3.35Å; L234-H519 HydrophobicContact CD1-CB 4.22Å; W238-H519 VanDerWaalsContact CH2-C 3.48Å; W238-H519 WeakPolarHBondContact CH2-O 3.38Å; W238-H519 WeakPolarHBondContact CZ2-O 3.49Å; H519-Y523 HydrophobicContact CB-CD1 3.63Å; H519-Y523 HydrophobicContact CB-CG 3.83Å; H519-Y523 AromaticContact CD2-CD1 3.86Å; H519-Y523 AromaticContact CD2-CE1 3.94Å; H519-Y523 AromaticContact CG-CD1 3.55Å; H519-Y523 AromaticContact ND1-CD1 3.98Å
520P97.9Very high94.6Very high6 Ų642 Ų424%0.03923%0.231CC..  trans-66.7154.6168.626-28.9000110.3A237 W238 Y241 G522 Y523A237-P520 HydrophobicContact CB-CG 3.93Å; W238-P520 HydrophobicContact CD2-CB 4.27Å; W238-P520 HydrophobicContact CD2-CG 4.17Å; W238-P520 HydrophobicContact CE3-CB 3.77Å; W238-P520 HydrophobicContact CE3-CG 4.15Å; W238-P520 VanDerWaalsContact CH2-CA 3.48Å; W238-P520 HydrophobicContact CH2-CB 3.99Å; W238-P520 HydrophobicContact CZ2-CB 4.48Å; W238-P520 VanDerWaalsContact CZ2-N 3.28Å; W238-P520 HydrophobicContact CZ3-CB 3.59Å; W238-P520 HydrophobicContact CZ3-CG 4.37Å; Y241-P520 HydrophobicContact CD2-CB 3.86Å; Y241-P520 HydrophobicContact CG-CB 4.05Å; P520-G522 PolarHBondContact O-N 3.35Å; P520-Y523 HydrophobicContact CG-CD2 4.46Å; P520-Y523 WeakPolarHBondContact O-CB 3.48Å; P520-Y523 PolarHBondContact O-N 3.16Å; P520-Y523 VanDerWaalsContact O-N 3.14Å
521P97.2Very high94.7Very high56 Ų5646.6 Ų46.636%0.36425%0.252SS..THydrogen-bonded Turntrans-53.8133.5175.2-26.535.2000112.7D116 Y523D116-P521 HydrophobicContact CB-CG 3.78Å; P521-Y523 VanDerWaalsContact C-N 3.32Å
522G95.9Very high94.9Very high18 Ų1849.3 Ų49.319%0.18627%0.274CS..THydrogen-bonded Turntrans81.32.7-178.700000115.2E114 P520 S524 Q526E114-G522 PolarHBondContact OE2-N 3.27Å; P520-G522 PolarHBondContact O-N 3.35Å; G522-S524 VanDerWaalsContact C-N 3.35Å; G522-S524 PolarHBondContact O-N 3.02Å; G522-Q526 WeakPolarHBondContact O-CB 3.33Å; G522-Q526 WeakPolarHBondContact O-CG 3.27Å; G522-Q526 PolarHBondContact O-N 3.1Å
523Y97.2Very high95.2Very high13 Ų1351.3 Ų51.35%0.05128%0.282CS..Hα-helixtrans-63-39.2179.6178.2-100.5000112.7E114 L234 A237 H519 P520 P521 E525 Q526 K527 W530E114-Y523 PolarHBondContact OE1-N 3.03Å; L234-Y523 HydrophobicContact CB-CE2 4.43Å; L234-Y523 HydrophobicContact CD1-CD2 4.29Å; L234-Y523 HydrophobicContact CD1-CE1 4.3Å; L234-Y523 HydrophobicContact CD1-CE2 4.09Å; L234-Y523 HydrophobicContact CD1-CG 4.49Å; A237-Y523 HydrophobicContact CB-CD2 3.58Å; A237-Y523 HydrophobicContact CB-CE2 3.75Å; H519-Y523 HydrophobicContact CB-CD1 3.63Å; H519-Y523 HydrophobicContact CB-CG 3.83Å; H519-Y523 AromaticContact CD2-CD1 3.86Å; H519-Y523 AromaticContact CD2-CE1 3.94Å; H519-Y523 AromaticContact CG-CD1 3.55Å; H519-Y523 AromaticContact ND1-CD1 3.98Å; P520-Y523 HydrophobicContact CG-CD2 4.46Å; P520-Y523 WeakPolarHBondContact O-CB 3.48Å; P520-Y523 PolarHBondContact O-N 3.16Å; P520-Y523 VanDerWaalsContact O-N 3.14Å; P521-Y523 VanDerWaalsContact C-N 3.32Å; Y523-E525 VanDerWaalsContact C-N 3.3Å; Y523-E525 PolarHBondContact O-N 3.14Å; Y523-Q526 CarbonylContact O-C 3.45Å; Y523-Q526 PolarHBondContact O-N 2.69Å; Y523-K527 HydrophobicContact CE1-CG 4.34Å; Y523-K527 WeakPolarHBondContact O-CA 3.33Å; Y523-K527 WeakPolarHBondContact O-CB 3.32Å; Y523-K527 PolarHBondContact O-N 2.97Å; Y523-W530 AromaticContact CD2-CD1 3.68Å; Y523-W530 HydrophobicContact CD2-CG 4.35Å; Y523-W530 HydrophobicContact CE2-CB 4.21Å; Y523-W530 AromaticContact CE2-CD1 3.88Å; Y523-W530 HydrophobicContact CE2-CG 4.18Å
524S95.2Very high95.5Very high30 Ų3052.2 Ų52.221%0.2130%0.297CS..Hα-helixtrans-62.8-40.1-175.6-49.80000111.3A110 E114 G522A110-S524 PolarHBondContact O-OG 2.98Å; E114-S524 WeakPolarHBondContact OE1-CB 3.29Å; E114-S524 PolarHBondContact OE1-N 3.25Å; E114-S524 PolarHBondContact OE1-OG 3.33Å; G522-S524 VanDerWaalsContact C-N 3.35Å; G522-S524 PolarHBondContact O-N 3.02Å
525E95.6Very high95.6Very high174 Ų17454.8 Ų54.881%0.81331%0.309SS*.Hα-helixtrans-71-37.7175.9-61.9-177.1172.700112.2Y523Y523-E525 VanDerWaalsContact C-N 3.3Å; Y523-E525 PolarHBondContact O-N 3.14Å
526Q95.7Very high95.7Very high94 Ų9453.2 Ų53.244%0.43930%0.297SS..Hα-helixtrans-95.68-175.6-62.81785.300114.1G522 Y523 G528 T529 W530G522-Q526 WeakPolarHBondContact O-CB 3.33Å; G522-Q526 WeakPolarHBondContact O-CG 3.27Å; G522-Q526 PolarHBondContact O-N 3.1Å; Y523-Q526 CarbonylContact O-C 3.45Å; Y523-Q526 PolarHBondContact O-N 2.69Å; Q526-G528 VanDerWaalsContact C-N 3.31Å; Q526-G528 PolarHBondContact O-N 3.02Å; Q526-T529 WeakPolarHBondContact O-CA 3.45Å; Q526-T529 VanDerWaalsContact O-CB 3.29Å; Q526-T529 WeakPolarHBondContact O-CB 3.45Å; Q526-T529 PolarHBondContact O-N 2.87Å; Q526-W530 PolarHBondContact O-N 3.42Å; Q526-W530 VanDerWaalsContact O-N 3.14Å
527K93.8Very high95.5Very high101 Ų10156.9 Ų56.944%0.43932%0.321SS..Hα-helixtrans-53-45.9-172-177.7175.8172.8-179.50112.9Y523 T529 W530 E531Y523-K527 HydrophobicContact CE1-CG 4.34Å; Y523-K527 WeakPolarHBondContact O-CA 3.33Å; Y523-K527 WeakPolarHBondContact O-CB 3.32Å; Y523-K527 PolarHBondContact O-N 2.97Å; K527-T529 VanDerWaalsContact C-N 3.29Å; K527-T529 PolarHBondContact O-N 3.48Å; K527-W530 PolarHBondContact O-N 2.84Å; K527-E531 WeakPolarHBondContact CE-OE1 3.43Å; K527-E531 HydrophobicContact CG-CG 4.48Å; K527-E531 WeakPolarHBondContact O-CG 3.34Å; K527-E531 PolarHBondContact O-N 3.05Å
528G95Very high95Very high47 Ų4762.3 Ų62.349%0.48534%0.344SS..Hα-helixtrans-64.6-29.7178.300000113.9Q526 S532Q526-G528 VanDerWaalsContact C-N 3.31Å; Q526-G528 PolarHBondContact O-N 3.02Å; G528-S532 PolarHBondContact O-N 3.3Å; G528-S532 PolarHBondContact O-OG 3.32Å
529T96.5Very high94.4Very high89 Ų8962.4 Ų62.455%0.54635%0.345SS..Hα-helixtrans-68.7-42173.6-55.40000111Q526 K527 S532 H533Q526-T529 WeakPolarHBondContact O-CA 3.45Å; Q526-T529 VanDerWaalsContact O-CB 3.29Å; Q526-T529 WeakPolarHBondContact O-CB 3.45Å; Q526-T529 PolarHBondContact O-N 2.87Å; K527-T529 VanDerWaalsContact C-N 3.29Å; K527-T529 PolarHBondContact O-N 3.48Å; T529-S532 PolarHBondContact O-N 2.95Å; T529-S532 PolarHBondContact O-OG 3.39Å; T529-H533 PolarHBondContact O-N 3.34Å; T529-H533 VanDerWaalsContact O-N 3.14Å
530W96.3Very high93.8Very high36 Ų3665 Ų6514%0.13636%0.362CS..Hα-helixtrans-70.5-36.5177.2-64.5114.6000112.8A233 V236 A237 H240 Y523 Q526 K527 S532 H533 T536A233-W530 HydrophobicContact CB-CB 4.08Å; V236-W530 HydrophobicContact CG1-CE3 3.88Å; V236-W530 HydrophobicContact CG1-CZ3 3.98Å; A237-W530 HydrophobicContact CB-CD2 3.76Å; A237-W530 HydrophobicContact CB-CE3 4.24Å; A237-W530 HydrophobicContact CB-CG 3.95Å; A237-W530 HydrophobicContact CB-CZ2 4.38Å; H240-W530 HydrophobicContact CB-CH2 3.57Å; H240-W530 HydrophobicContact CB-CZ3 3.98Å; H240-W530 AromaticContact CD2-CZ3 3.69Å; H240-W530 AromaticContact CG-CH2 3.73Å; H240-W530 AromaticContact CG-CZ3 3.73Å; Y523-W530 AromaticContact CD2-CD1 3.68Å; Y523-W530 HydrophobicContact CD2-CG 4.35Å; Y523-W530 HydrophobicContact CE2-CB 4.21Å; Y523-W530 AromaticContact CE2-CD1 3.88Å; Y523-W530 HydrophobicContact CE2-CG 4.18Å; Q526-W530 PolarHBondContact O-N 3.42Å; Q526-W530 VanDerWaalsContact O-N 3.14Å; K527-W530 PolarHBondContact O-N 2.84Å; W530-S532 VanDerWaalsContact C-N 3.29Å; W530-S532 PolarHBondContact O-N 3.47Å; W530-H533 WeakPolarHBondContact O-CB 3.41Å; W530-H533 PolarHBondContact O-N 3.4Å; W530-T536 WeakPolarHBondContact O-CB 3.4Å; W530-T536 PolarHBondContact O-OG1 3.28Å
531E94.6Very high92.9Very high110 Ų11068.1 Ų68.151%0.51438%0.381SS..Hα-helixtrans-64.1-33.6175.4-74.2174.8170.400112.7A233 K527A233-E531 HydrophobicContact CB-CG 3.91Å; K527-E531 WeakPolarHBondContact CE-OE1 3.43Å; K527-E531 HydrophobicContact CG-CG 4.48Å; K527-E531 WeakPolarHBondContact O-CG 3.34Å; K527-E531 PolarHBondContact O-N 3.05Å
532S95.3Very high91.7Very high91 Ų9168.5 Ų68.564%0.63638%0.38SS*.THydrogen-bonded Turntrans-91.40.1177.555.60000114.4G528 T529 W530G528-S532 PolarHBondContact O-N 3.3Å; G528-S532 PolarHBondContact O-OG 3.32Å; T529-S532 PolarHBondContact O-N 2.95Å; T529-S532 PolarHBondContact O-OG 3.39Å; W530-S532 VanDerWaalsContact C-N 3.29Å; W530-S532 PolarHBondContact O-N 3.47Å
533H96Very high90.6Very high43 Ų4370 Ų7020%0.19938%0.382CS..  trans-67.4139.2-178.1-165.9-94.6000111.7H240 T529 W530 E535 T536 T537H240-H533 AromaticContact CE1-CE1 3.93Å; H240-H533 AromaticContact CE1-NE2 3.92Å; H240-H533 AromaticContact NE2-CE1 3.43Å; H240-H533 PolarHBondContact NE2-CE1 2.67Å; H240-H533 AromaticContact NE2-NE2 3.8Å; T529-H533 PolarHBondContact O-N 3.34Å; T529-H533 VanDerWaalsContact O-N 3.14Å; W530-H533 WeakPolarHBondContact O-CB 3.41Å; W530-H533 PolarHBondContact O-N 3.4Å; H533-E535 VanDerWaalsContact C-N 3.35Å; H533-E535 WeakPolarHBondContact ND1-CB 3.01Å; H533-E535 PolarHBondContact ND1-N 2.93Å; H533-E535 PolarHBondContact O-N 2.78Å; H533-T536 WeakPolarHBondContact O-CB 3.37Å; H533-T536 PolarHBondContact O-N 2.8Å; H533-T537 PolarHBondContact O-N 3.41Å
534P94.6Very high88.9Confident86 Ų8670.6 Ų70.656%0.55839%0.392SS*.Hα-helixtrans-59-40.8-178.119.2-31.2000113.3T536 T537 E538P534-T536 PolarHBondContact O-N 3.43Å; P534-T537 WeakPolarHBondContact O-CB 3.36Å; P534-T537 PolarHBondContact O-N 2.79Å; P534-E538 PolarHBondContact O-N 2.91Å
535E94.1Very high86.4Confident54 Ų5477.7 Ų77.725%0.25242%0.415SS..Hα-helixtrans-62.1-28176.3-64.7-166.8-177.800113V236 K239 H240 H533 T537 E538 L539V236-E535 HydrophobicContact CG1-CB 4.1Å; V236-E535 HydrophobicContact CG2-CB 3.95Å; K239-E535 WeakPolarHBondContact CD-OE2 3.17Å; K239-E535 IonicContact NZ-OE1 2.95Å; K239-E535 PolarHBondContact NZ-OE1 3.31Å; K239-E535 IonicContact NZ-OE2 3.73Å; K239-E535 PolarHBondContact NZ-OE2 3.17Å; H240-E535 IonicContact NE2-OE1 2.65Å; H240-E535 IonicContact NE2-OE2 3.72Å; H533-E535 VanDerWaalsContact C-N 3.35Å; H533-E535 WeakPolarHBondContact ND1-CB 3.01Å; H533-E535 PolarHBondContact ND1-N 2.93Å; H533-E535 PolarHBondContact O-N 2.78Å; E535-T537 VanDerWaalsContact C-N 3.29Å; E535-T537 PolarHBondContact O-N 3.44Å; E535-E538 PolarHBondContact O-N 3Å; E535-L539 WeakPolarHBondContact O-CB 3.1Å; E535-L539 PolarHBondContact O-N 2.79Å
536T93Very high83.6Confident9 Ų975.2 Ų75.26%0.05541%0.411CS..Hα-helixtrans-65.2-39.3176.4-59.10000110.1P232 A233 W530 H533 P534 L539 V540P232-T536 HydrophobicContact CB-CG2 3.82Å; A233-T536 HydrophobicContact CB-CG2 4.06Å; W530-T536 WeakPolarHBondContact O-CB 3.4Å; W530-T536 PolarHBondContact O-OG1 3.28Å; H533-T536 WeakPolarHBondContact O-CB 3.37Å; H533-T536 PolarHBondContact O-N 2.8Å; P534-T536 PolarHBondContact O-N 3.43Å; T536-L539 PolarHBondContact O-N 3.37Å; T536-V540 VanDerWaalsContact O-CG2 3.24Å; T536-V540 WeakPolarHBondContact O-CG2 3.36Å; T536-V540 PolarHBondContact O-N 3.24Å
537T88.8Confident80.5Confident91 Ų9172 Ų7256%0.55840%0.403SS*.Hα-helixtrans-65.6-43.3177.2-55.50000111H533 P534 E535 L539 V540 V541H533-T537 PolarHBondContact O-N 3.41Å; P534-T537 WeakPolarHBondContact O-CB 3.36Å; P534-T537 PolarHBondContact O-N 2.79Å; E535-T537 VanDerWaalsContact C-N 3.29Å; E535-T537 PolarHBondContact O-N 3.44Å; T537-L539 VanDerWaalsContact C-N 3.33Å; T537-L539 PolarHBondContact O-N 3.07Å; T537-V540 PolarHBondContact O-N 3.04Å; T537-V541 WeakPolarHBondContact O-CG2 3.44Å; T537-V541 PolarHBondContact O-N 3.01Å
538E86.3Confident77.5Confident130 Ų13071.9 Ų71.961%0.60741%0.412SS*.Hα-helixtrans-62.1-41.5175.4-65.4-179.1-176.900111.8P534 E535 V541 L542P534-E538 PolarHBondContact O-N 2.91Å; E535-E538 PolarHBondContact O-N 3Å; E538-V541 PolarHBondContact O-N 2.72Å; E538-L542 WeakPolarHBondContact O-CG 3.17Å; E538-L542 PolarHBondContact O-N 2.93Å
539L86.3Confident74.4Confident5 Ų574.3 Ų74.33%0.02643%0.428CS..Hα-helixtrans-69.2-36.7179.5-160.688.5000112.5P232 V235 L253 E535 T536 T537 V541 L542 Q543P232-L539 HydrophobicContact CB-CB 4.34Å; P232-L539 HydrophobicContact CB-CD2 3.8Å; P232-L539 HydrophobicContact CG-CD2 4.37Å; V235-L539 HydrophobicContact CB-CD2 3.63Å; V235-L539 HydrophobicContact CG1-CD2 3.82Å; V235-L539 HydrophobicContact CG2-CD2 3.89Å; L253-L539 HydrophobicContact CD1-CD1 3.39Å; E535-L539 WeakPolarHBondContact O-CB 3.1Å; E535-L539 PolarHBondContact O-N 2.79Å; T536-L539 PolarHBondContact O-N 3.37Å; T537-L539 VanDerWaalsContact C-N 3.33Å; T537-L539 PolarHBondContact O-N 3.07Å; L539-V541 VanDerWaalsContact C-N 3.27Å; L539-V541 PolarHBondContact O-N 3.05Å; L539-L542 PolarHBondContact O-N 2.92Å; L539-L542 VanDerWaalsContact O-N 3.15Å; L539-Q543 HydrophobicContact CG-CG 4.36Å; L539-Q543 WeakPolarHBondContact O-CB 3.22Å; L539-Q543 WeakPolarHBondContact O-CG 3.22Å; L539-Q543 PolarHBondContact O-N 2.82Å
540V84.9Confident71.1Confident81 Ų8171.9 Ų71.949%0.49142%0.421SS..Hα-helixtrans-57.1-44.9172.4168.90000110.2P232 T536 T537 G544P232-V540 HydrophobicContact CB-CG2 3.89Å; P232-V540 HydrophobicContact CG-CG2 3.7Å; T536-V540 VanDerWaalsContact O-CG2 3.24Å; T536-V540 WeakPolarHBondContact O-CG2 3.36Å; T536-V540 PolarHBondContact O-N 3.24Å; T537-V540 PolarHBondContact O-N 3.04Å; V540-G544 PolarHBondContact O-N 2.69Å
541V77.7Confident67.9Low72 Ų7277 Ų7744%0.43645%0.451SS..Hα-helixtrans-64-42.2176.21750000111T537 E538 L539 G544 R545T537-V541 WeakPolarHBondContact O-CG2 3.44Å; T537-V541 PolarHBondContact O-N 3.01Å; E538-V541 PolarHBondContact O-N 2.72Å; L539-V541 VanDerWaalsContact C-N 3.27Å; L539-V541 PolarHBondContact O-N 3.05Å; V541-G544 CarbonylContact O-C 3.58Å; V541-G544 PolarHBondContact O-N 3.01Å; V541-R545 HydrophobicContact CG1-CG 4.2Å; V541-R545 WeakPolarHBondContact O-CG 3.31Å; V541-R545 PolarHBondContact O-N 3.48Å
542L73.5Confident64.6Low65 Ų6581.4 Ų81.434%0.3447%0.471SS..Hα-helixtrans-66.7-41.7179.7-78.5173.2000113.5L285 E538 L539 G544L285-L542 HydrophobicContact CD1-CB 3.84Å; L285-L542 HydrophobicContact CD1-CD2 4.31Å; E538-L542 WeakPolarHBondContact O-CG 3.17Å; E538-L542 PolarHBondContact O-N 2.93Å; L539-L542 PolarHBondContact O-N 2.92Å; L539-L542 VanDerWaalsContact O-N 3.15Å; L542-G544 VanDerWaalsContact C-N 3.26Å; L542-G544 PolarHBondContact O-N 2.91Å
543Q73Confident61.4Low49 Ų4984.4 Ų84.423%0.22948%0.475CS..Hα-helixtrans-69.4-25.4172.8-71-176-10.800111.9V227 P232 L539V227-Q543 PolarHBondContact O-NE2 2.75Å; P232-Q543 VanDerWaalsContact CG-OE1 3.25Å; L539-Q543 HydrophobicContact CG-CG 4.36Å; L539-Q543 WeakPolarHBondContact O-CB 3.22Å; L539-Q543 WeakPolarHBondContact O-CG 3.22Å; L539-Q543 PolarHBondContact O-N 2.82Å
544G61.8Low58.1Low26 Ų2691.4 Ų91.427%0.26851%0.508SS..Hα-helixtrans-100.91.1-176.500000117.1V540 V541 L542 V546V540-G544 PolarHBondContact O-N 2.69Å; V541-G544 CarbonylContact O-C 3.58Å; V541-G544 PolarHBondContact O-N 3.01Å; L542-G544 VanDerWaalsContact C-N 3.26Å; L542-G544 PolarHBondContact O-N 2.91Å; G544-V546 PolarHBondContact O-N 3.25Å
545R41.9Very low55Low179 Ų17993.7 Ų93.768%0.67551%0.512SS*.  trans-69.987.8-178.2-96.3-178-176.6-168.42.9113.2V541V541-R545 HydrophobicContact CG1-CG 4.2Å; V541-R545 WeakPolarHBondContact O-CG 3.31Å; V541-R545 PolarHBondContact O-N 3.48Å
546V36.8Very low51.7Low121 Ų12199.8 Ų99.873%0.73354%0.54SS*.  43.2127.2118.3-173.70000121.1G544G544-V546 PolarHBondContact O-N 3.25Å
547G31.1Very low48.6Very low26 Ų26106.5 Ų106.527%0.26857%0.571SS.*  trans-147.8148.2141.400000108.9
548P30.6Very low45.9Very low99 Ų99107.2 Ų107.264%0.64357%0.568SS**  trans-72.4157-167.727.9-32.8000114.2N322 G550N322-P548 PolarHBondContact ND2-O 3.45Å; P548-G550 PolarHBondContact O-N 2.96Å
549A28.6Very low43.1Very low98 Ų98109.3 Ų109.381%0.8158%0.578SS**  trans-45.2114.9-174.500000113.6
550G27.9Very low40.5Very low39 Ų39112.8 Ų112.840%0.40260%0.596SS.*  trans-107.4136.7156.700000107.3P548P548-G550 PolarHBondContact O-N 2.96Å
551D28.7Very low37.8Very low144 Ų144113.1 Ų113.177%0.7760%0.602SS**  trans-33.5136.4-164.7-59.2-52.5000117.3E553D551-E553 VanDerWaalsContact C-N 3.28Å; D551-E553 PolarHBondContact O-N 3.41Å
552E26.7Very low35.4Very low201 Ų201113.3 Ų113.394%0.93961%0.606SS**  trans-65.483.5169-65.9176.1178.500109.1
553E27.1Very low33.1Very low154 Ų154113.1 Ų113.172%0.7261%0.61SS**  trans-82.9125.7162.6-72.1-176.517400109D551 E555D551-E553 VanDerWaalsContact C-N 3.28Å; D551-E553 PolarHBondContact O-N 3.41Å; E553-E555 PolarHBondContact O-N 2.96Å
554E27.4Very low30.8Very low191 Ų191116.2 Ų116.289%0.89364%0.636SS**  trans-52.2108-177.4-66.1177.4163.900111E556E554-E556 PolarHBondContact O-N 2.78Å; E554-E556 VanDerWaalsContact O-N 3.07Å
555E28.6Very low29.2Very low134 Ų134122.1 Ų122.163%0.62666%0.657SS**  trans-70101.7176.9-66.7-175.7163.100109.9E553 E557E553-E555 PolarHBondContact O-N 2.96Å; E555-E557 PolarHBondContact O-N 3.3Å
556E25.6Very low28.6Very low182 Ų182122.2 Ų122.285%0.8567%0.665SS**  trans-60.2127.2172.1-68.4-177.2168.700110.6E554 E558E554-E556 PolarHBondContact O-N 2.78Å; E554-E556 VanDerWaalsContact O-N 3.07Å; E556-E558 VanDerWaalsContact C-N 3.34Å; E556-E558 PolarHBondContact O-N 3.2Å
557E27.9Very low28.2Very low149 Ų149119.8 Ų119.870%0.69665%0.645SS**  trans-62.597.1163.2-68.5-173.8171.800107.8E555 E559E555-E557 PolarHBondContact O-N 3.3Å; E557-E559 VanDerWaalsContact C-N 3.27Å; E557-E559 PolarHBondContact O-N 2.84Å
558E30.6Very low28.1Very low107 Ų107121.5 Ų121.550%0.566%0.663SS.*  trans-59.999.3163.6-86.4-167.8-176.100107.6K273 E556 L560K273-E558 IonicContact NZ-OE2 2.88Å; K273-E558 PolarHBondContact NZ-OE2 3.38Å; E556-E558 VanDerWaalsContact C-N 3.34Å; E556-E558 PolarHBondContact O-N 3.2Å; E558-L560 PolarHBondContact O-N 3.39Å
559E28.1Very low28.3Very low174 Ų174123.7 Ų123.781%0.81367%0.665SS**  trans-48.8113.8153.9-70.1-165.9169.700105.9E557 S561E557-E559 VanDerWaalsContact C-N 3.27Å; E557-E559 PolarHBondContact O-N 2.84Å; E559-S561 PolarHBondContact O-N 3.3Å
560L31.9Very low28.4Very low78 Ų78125.6 Ų125.641%0.40866%0.657SS.*  trans-58.690169.6-82.6165000106.7K273 E558 S562K273-L560 VanDerWaalsContact CE-CD2 3.45Å; E558-L560 PolarHBondContact O-N 3.39Å; L560-S562 PolarHBondContact O-N 2.9Å; L560-S562 VanDerWaalsContact O-N 3.16Å
561S27.8Very low28.8Very low88 Ų88127.1 Ų127.162%0.61566%0.656SS**  trans-51121.2-168171.90000110E559 S563E559-S561 PolarHBondContact O-N 3.3Å; S561-S563 PolarHBondContact O-N 3.04Å
562S27.1Very low28.8Very low75 Ų75128 Ų12852%0.52465%0.648SS.*  trans-65.872.6163.7174.60000109L560 C564L560-S562 PolarHBondContact O-N 2.9Å; L560-S562 VanDerWaalsContact O-N 3.16Å; S562-C564 PolarHBondContact O-N 3.17Å; S562-C564 VanDerWaalsContact O-N 3.16Å
563S25.8Very low29.1Very low61 Ų61123.8 Ų123.843%0.42763%0.632SS.*  trans-78.2100.1166.150.70000108.5S561 E565S561-S563 PolarHBondContact O-N 3.04Å; S563-E565 PolarHBondContact O-N 2.64Å
564C24.7Very low29.3Very low114 Ų114119.5 Ų119.577%0.7762%0.623SS**  trans-67.170.1172.5-65.20000111.1S562S562-C564 PolarHBondContact O-N 3.17Å; S562-C564 VanDerWaalsContact O-N 3.16Å
565E29.3Very low29.6Very low151 Ų151115.7 Ų115.771%0.70661%0.609SS**SBendtrans-142.2130.3158.6-67-162.3172.700107.7S563 E567S563-E565 PolarHBondContact O-N 2.64Å; E565-E567 HydrophobicContact CB-CG 4.44Å; E565-E567 PolarHBondContact O-N 2.9Å
566E27.8Very low29.6Very low180 Ų180118.5 Ų118.584%0.84162%0.622SS**  trans-62.766.1162.6-69.3179171.900108.4G568E566-G568 PolarHBondContact O-N 3.36Å
567E29Very low29.8Very low71 Ų71118 Ų11833%0.33262%0.619SS.*  trans-66.2119.9152.2-67.9-148.9161.300104.4K12 E565 E569 R572K12-E567 IonicContact NZ-OE1 3.69Å; K12-E567 PolarHBondContact NZ-OE1 3.28Å; E565-E567 HydrophobicContact CB-CG 4.44Å; E565-E567 PolarHBondContact O-N 2.9Å; E567-E569 PolarHBondContact O-N 3.1Å; E567-E569 VanDerWaalsContact O-N 3.11Å; E567-R572 IonicContact OE1-NH2 3.88Å; E567-R572 IonicContact OE2-CZ 3.26Å; E567-R572 IonicContact OE2-NE 3.09Å; E567-R572 IonicContact OE2-NH2 2.82Å; E567-R572 PolarHBondContact OE2-NH2 2.57Å
568G30.1Very low29.8Very low62 Ų62114.4 Ų114.464%0.63962%0.623SS**  trans-49127.5167.700000106.7E566 E570E566-G568 PolarHBondContact O-N 3.36Å; G568-E570 PolarHBondContact O-N 3.04Å
569E34.3Very low29.6Very low144 Ų144118.4 Ų118.467%0.67364%0.641SS**  trans-59.373.1178.9-61.9-174.9160.200109.4E567 D571E567-E569 PolarHBondContact O-N 3.1Å; E567-E569 VanDerWaalsContact O-N 3.11Å; E569-D571 PolarHBondContact O-N 2.83Å
570E31.3Very low29.6Very low139 Ų139113.3 Ų113.365%0.6564%0.635SS**  trans-70.1114147.6-74.2169.9-159.600102.8K19 G568 R572K19-E570 IonicContact NZ-OE1 3.5Å; K19-E570 PolarHBondContact NZ-OE1 3.09Å; G568-E570 PolarHBondContact O-N 3.04Å; E570-R572 PolarHBondContact O-N 3.45Å
571D34.6Very low29.5Very low70 Ų70117 Ų11737%0.37466%0.655SS.*  trans-45.798.3178.8-89.9-29.6000108.7T391 E569 D573 A574T391-D571 PolarHBondContact OG1-OD2 2.92Å; E569-D571 PolarHBondContact O-N 2.83Å; D571-D573 PolarHBondContact O-N 3.22Å; D571-A574 PolarHBondContact O-N 3.42Å
572R29.4Very low29.6Very low164 Ų164121.5 Ų121.562%0.61967%0.667SS**THydrogen-bonded Turntrans-64.71.2173-69.3-174-178.7167.50.7112.5E567 E570E567-R572 IonicContact OE1-NH2 3.88Å; E567-R572 IonicContact OE2-CZ 3.26Å; E567-R572 IonicContact OE2-NE 3.09Å; E567-R572 IonicContact OE2-NH2 2.82Å; E567-R572 PolarHBondContact OE2-NH2 2.57Å; E570-R572 PolarHBondContact O-N 3.45Å
573D33.7Very low29.5Very low111 Ų111126.9 Ų126.959%0.59468%0.684SS**THydrogen-bonded Turntrans-89.2-5.4173.6-70.2-12.9000112.7D571 D575D571-D573 PolarHBondContact O-N 3.22Å; D573-D575 VanDerWaalsContact C-N 3.32Å; D573-D575 PolarHBondContact O-N 3.33Å; D573-D575 VanDerWaalsContact O-N 3.1Å
574A31.5Very low29.6Very low64 Ų64129.1 Ų129.153%0.52970%0.695SS.*SBendtrans-72.495.7158.900000106.7D571 E576D571-A574 PolarHBondContact O-N 3.42Å; A574-E576 PolarHBondContact O-N 2.65Å; A574-E576 VanDerWaalsContact O-N 3.14Å
575D33.6Very low29.6Very low111 Ų111129.9 Ų129.959%0.59470%0.699SS**  trans-39.8124171.5-57.6-41.7000108.4K384 D573 E577K384-D575 IonicContact NZ-OD2 3.27Å; K384-D575 PolarHBondContact NZ-OD2 2.67Å; D573-D575 VanDerWaalsContact C-N 3.32Å; D573-D575 PolarHBondContact O-N 3.33Å; D573-D575 VanDerWaalsContact O-N 3.1Å; D575-E577 PolarHBondContact O-N 3.46Å
576E27.9Very low29.5Very low194 Ų194129.1 Ų129.191%0.90770%0.704SS**  trans-38.3114.4-173.3-68.1-176.5160.500110.9A574 G578A574-E576 PolarHBondContact O-N 2.65Å; A574-E576 VanDerWaalsContact O-N 3.14Å; E576-G578 PolarHBondContact O-N 3.16Å
577E29.4Very low29.5Very low171 Ų171126 Ų12680%0.79970%0.703SS**  trans-60.7109.2174.7-66.6-163.9169.900108D575 E579D575-E577 PolarHBondContact O-N 3.46Å; E577-E579 PolarHBondContact O-N 3.35Å
578G28.3Very low29.4Very low74 Ų74127 Ų12776%0.76372%0.723SS**  trans-61.9112.5153.400000106.3E576 G580E576-G578 PolarHBondContact O-N 3.16Å; G578-G580 PolarHBondContact O-N 3.11Å
579E27.1Very low29.7Very low190 Ų190130.2 Ų130.289%0.88873%0.733SS**  trans-56.689.1164.4-69.8-179.3171.500107.2E577 D581E577-E579 PolarHBondContact O-N 3.35Å; E579-D581 PolarHBondContact O-N 3.13Å
580G27.9Very low29.4Very low67 Ų67126.9 Ų126.969%0.69174%0.737SS**  trans-70.1117.5164.100000106.3G578 E582G578-G580 PolarHBondContact O-N 3.11Å; G580-E582 PolarHBondContact O-N 3.24Å; G580-E582 VanDerWaalsContact O-N 3.14Å
581D28.5Very low29.3Very low155 Ų155125.7 Ų125.783%0.82974%0.744SS**  trans-45.3121.1177.9-75.9-46.3000109.7E579 E583E579-D581 PolarHBondContact O-N 3.13Å; D581-E583 VanDerWaalsContact C-N 3.28Å; D581-E583 PolarHBondContact O-N 3.08Å
582E29.8Very low28.9Very low183 Ų183127.4 Ų127.486%0.85576%0.761SS**  trans-59.495.3167.4-74.5-173.8160.500107.6G580 T584G580-E582 PolarHBondContact O-N 3.24Å; G580-E582 VanDerWaalsContact O-N 3.14Å; E582-T584 VanDerWaalsContact C-N 3.25Å; E582-T584 PolarHBondContact O-N 3.47Å
583E26Very low29.1Very low188 Ų188128 Ų12888%0.87978%0.776SS**  trans-64.392.7165-76.1-164.1159.700108D581D581-E583 VanDerWaalsContact C-N 3.28Å; D581-E583 PolarHBondContact O-N 3.08Å
584T27.9Very low29.1Very low109 Ų109127.6 Ų127.667%0.66979%0.788SS**  trans-54.8127.3166.343.40000109.1E582 T586E582-T584 VanDerWaalsContact C-N 3.25Å; E582-T584 PolarHBondContact O-N 3.47Å; T584-T586 PolarHBondContact O-N 3.29Å
585P24.9Very low29.2Very low130 Ų130128.1 Ų128.184%0.84480%0.8SS**  trans-70.8107.7-171.826.5-31.7000109.9S587P585-S587 PolarHBondContact O-N 2.83Å
586T26.5Very low29.3Very low134 Ų134134.6 Ų134.682%0.82282%0.816SS**  trans-72.6115.517048.60000109.6T584T584-T586 PolarHBondContact O-N 3.29Å
587S28.1Very low30.4Very low116 Ų116130.7 Ų130.781%0.81180%0.801SS**  trans-52.9136.7166.651.10000112.1P585P585-S587 PolarHBondContact O-N 2.83Å
588A26.6Very low31.1Very low92 Ų92127.6 Ų127.676%0.7680%0.796SS**  trans-61.6178.1175.900000114.2
589P36.1Very low31.8Very low129 Ų129132.4 Ų132.484%0.83879%0.792SS**  -121.5140.5-72.733.5-18.9000111.3
590G27.4Very low33Very low74 Ų74127.5 Ų127.576%0.76378%0.784SS**  trans-147.9110.717600000112.1
591S29.3Very low33.7Very low113 Ų113132.1 Ų132.179%0.7979%0.792SS**  trans20.5119.1160.966.10000120.4
592S27.1Very low34.3Very low107 Ų107131.9 Ų131.975%0.74879%0.79SS**  trans14.2114.2143.462.80000118.6
593L33Very low34.4Very low177 Ų177125.9 Ų125.993%0.92778%0.777SS**  trans-170.6110.9130.2-99.3155.1000109.2
594A34.8Very low34.8Very low102 Ų102126 Ų12684%0.84378%0.777SS**  trans-62.2141.7169.300000111.1
595G33.7Very low35.1Very low75 Ų75128.7 Ų128.777%0.77379%0.788SS**  trans80.575.615100000117.2
596R34.9Very low35.7Very low246 Ų246131.9 Ų131.993%0.92879%0.792SS**  trans-131.5104.9147.3-79.4-170.4169.1-173.8-4.2110P598R596-P598 WeakPolarHBondContact O-CD 3.37Å
597N50.4Low36.1Very low113 Ų113135.4 Ų135.460%0.60482%0.82SS**  trans-55117.4169.7179-6.4000109.4Y599 A600N597-Y599 PolarHBondContact O-N 2.74Å; N597-Y599 VanDerWaalsContact O-N 3.11Å; N597-Y599 WeakPolarHBondContact OD1-CD2 3.36Å; N597-Y599 PolarHBondContact OD1-N 3.14Å; N597-A600 PolarHBondContact O-N 3.14Å
598P45.5Very low36.5Very low106 Ų106136.4 Ų136.469%0.68882%0.82SS**G310 helixtrans-70.2-3.9-173.825.7-32.3000114.5R596R596-P598 WeakPolarHBondContact O-CD 3.37Å
599Y42.5Very low37.1Very low175 Ų175138.7 Ų138.769%0.68682%0.823SS**G310 helixtrans-93.23.1178.7-61.3-75.9000114.5N597 L601 L602N597-Y599 PolarHBondContact O-N 2.74Å; N597-Y599 VanDerWaalsContact O-N 3.11Å; N597-Y599 WeakPolarHBondContact OD1-CD2 3.36Å; N597-Y599 PolarHBondContact OD1-N 3.14Å; Y599-L601 PolarHBondContact O-N 3.08Å; Y599-L602 HydrophobicContact CD1-CD1 4.4Å
600A52.3Low37.1Very low86 Ų86139.3 Ų139.371%0.71182%0.822SS**G310 helixtrans-68.5-13.2176.800000114N597N597-A600 PolarHBondContact O-N 3.14Å
601L43.3Very low37.7Very low164 Ų164143.1 Ų143.186%0.85983%0.826SS**G310 helixtrans-97.67.4-178.3-88.5159.3000114.5Y599Y599-L601 PolarHBondContact O-N 3.08Å
602L39.5Very low38.2Very low151 Ų151145 Ų14579%0.79183%0.828SS**SBendtrans-108.819.5178.3-67.8177.5000113.8Y599Y599-L602 HydrophobicContact CD1-CD1 4.4Å
603G33.1Very low38.9Very low57 Ų57147.5 Ų147.559%0.58883%0.833SS**SBendtrans-132.579.9171.600000109.8
604E33.5Very low39.4Very low189 Ų189145.4 Ų145.488%0.88383%0.827SS**  trans169.892.8151.2-95.6167.3-153.300108.5
605D34.6Very low39.7Very low166 Ų166148.8 Ų148.889%0.88883%0.826SS**  trans-155.295.2154.8-96.2-25.8000107.1
606E36.7Very low40.2Very low197 Ų197154.9 Ų154.992%0.92183%0.83SS**  175134124.3-91.4-179.6-177.300108.7
607C36.4Very low40.7Very low209 Ų209146.6 Ų146.6100%1.41282%0.821SS**  trans-56.70-173.9-65.40000115.2

Retrieved 607 of 607 residues in 3117.7 ms (Link to these results)

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