A0A087YIP6_POEFO Loading...

Tropomodulin 2

AlphaFold DB , UniProt , Accession A0A087YIP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 350 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.5Very low52.9Low240 Ų240135.6 Ų135.6100%1.18269%0.694SS**  0107.60-82.2179.2-111.500107.6L3M1-L3 PolarHBondContact O-N 3.3Å
2A43.7Very low53.8Low94 Ų94134.8 Ų134.878%0.77768%0.677SS**  trans-67.9129.317400000108.3S4A2-S4 PolarHBondContact O-N 3.46Å
3L39.8Very low54.8Low110 Ų110136.4 Ų136.458%0.57668%0.677SS**  trans-59.2135.5-176.2-67.1135.7000110.7M1 F5 K6M1-L3 PolarHBondContact O-N 3.3Å; L3-F5 HydrophobicContact CB-CD1 3.97Å; L3-F5 HydrophobicContact CB-CD2 3.97Å; L3-F5 HydrophobicContact CB-CE1 3.45Å; L3-F5 VanDerWaalsContact CB-CE1 3.45Å; L3-F5 HydrophobicContact CB-CE2 3.42Å; L3-F5 VanDerWaalsContact CB-CE2 3.42Å; L3-F5 HydrophobicContact CB-CG 4.25Å; L3-F5 HydrophobicContact CB-CZ 3.17Å; L3-F5 HydrophobicContact CD1-CE1 4.48Å; L3-F5 HydrophobicContact CD1-CE2 3.92Å; L3-F5 HydrophobicContact CD1-CZ 3.57Å; L3-F5 HydrophobicContact CD2-CE1 3.69Å; L3-F5 HydrophobicContact CD2-CZ 3.58Å; L3-F5 HydrophobicContact CG-CE1 4.03Å; L3-F5 HydrophobicContact CG-CE2 4.14Å; L3-F5 HydrophobicContact CG-CZ 3.58Å; L3-F5 PolarHBondContact O-N 3.24Å; L3-K6 PolarHBondContact O-N 2.88Å; L3-K6 VanDerWaalsContact O-N 3.11Å
4S50.3Low55.8Low109 Ų109137.9 Ų137.976%0.76269%0.688SS**G310 helixtrans-57.8-13.2-169.4-168.30000115.4A2A2-S4 PolarHBondContact O-N 3.46Å
5F52.5Low57.3Low133 Ų133133.7 Ų133.758%0.58367%0.668SS**G310 helixtrans-83.5-10179.138.2-100.8000114.5L3L3-F5 HydrophobicContact CB-CD1 3.97Å; L3-F5 HydrophobicContact CB-CD2 3.97Å; L3-F5 HydrophobicContact CB-CE1 3.45Å; L3-F5 VanDerWaalsContact CB-CE1 3.45Å; L3-F5 HydrophobicContact CB-CE2 3.42Å; L3-F5 VanDerWaalsContact CB-CE2 3.42Å; L3-F5 HydrophobicContact CB-CG 4.25Å; L3-F5 HydrophobicContact CB-CZ 3.17Å; L3-F5 HydrophobicContact CD1-CE1 4.48Å; L3-F5 HydrophobicContact CD1-CE2 3.92Å; L3-F5 HydrophobicContact CD1-CZ 3.57Å; L3-F5 HydrophobicContact CD2-CE1 3.69Å; L3-F5 HydrophobicContact CD2-CZ 3.58Å; L3-F5 HydrophobicContact CG-CE1 4.03Å; L3-F5 HydrophobicContact CG-CE2 4.14Å; L3-F5 HydrophobicContact CG-CZ 3.58Å; L3-F5 PolarHBondContact O-N 3.24Å
6K51.5Low58.5Low144 Ų144131 Ų13163%0.62666%0.657SS**G310 helixtrans-80.6-12.1176.7-80.1-169.2174.5-173.50114.8L3 D8L3-K6 PolarHBondContact O-N 2.88Å; L3-K6 VanDerWaalsContact O-N 3.11Å; K6-D8 VanDerWaalsContact C-N 3.32Å; K6-D8 PolarHBondContact O-N 3.2Å
7K55.3Low59.3Low184 Ų184131.7 Ų131.780%0.866%0.657SS**THydrogen-bonded Turntrans-74.7-21-172.5-120.5179.3177.9-176.10113.9
8D56.6Low60.2Low106 Ų106130.7 Ų130.757%0.56766%0.655SS**THydrogen-bonded Turntrans-107.68.5-176.5-68.6-34.4000113.7K6 K11 Y12K6-D8 VanDerWaalsContact C-N 3.32Å; K6-D8 PolarHBondContact O-N 3.2Å; D8-K11 WeakPolarHBondContact O-CE 3.44Å; D8-K11 WeakPolarHBondContact O-CG 3.38Å; D8-Y12 WeakPolarHBondContact O-CD2 3.36Å; D8-Y12 WeakPolarHBondContact O-CE2 3.2Å
9L58.3Low61.3Low106 Ų106129.3 Ų129.356%0.55565%0.646SS**SBendtrans-91.8-17.5-179.2-78.9161.9000113.6K11 Y12L9-K11 VanDerWaalsContact C-N 3.29Å; L9-K11 PolarHBondContact O-N 2.67Å; L9-Y12 PolarHBondContact O-N 3.2Å
10E65.4Low62.1Low139 Ų139127.3 Ų127.365%0.6564%0.636SS**G310 helixtrans-66.9-29.6178.5-70.8-163.4149.500113Y12 K13E10-Y12 PolarHBondContact O-N 3.38Å; E10-Y12 VanDerWaalsContact O-N 3.16Å; E10-K13 PolarHBondContact O-N 3.17Å
11K67.4Low62.6Low127 Ų127124.6 Ų124.655%0.55262%0.624SS**G310 helixtrans-66.4-11.9175.556.2167.3165.11600114.5D8 L9D8-K11 WeakPolarHBondContact O-CE 3.44Å; D8-K11 WeakPolarHBondContact O-CG 3.38Å; L9-K11 VanDerWaalsContact C-N 3.29Å; L9-K11 PolarHBondContact O-N 2.67Å
12Y62.7Low64.4Low126 Ų126120 Ų12049%0.49460%0.604SS.*G310 helixtrans-107.60.8179.4-57.2-72.4000112.8D8 L9 E10 I15D8-Y12 WeakPolarHBondContact O-CD2 3.36Å; D8-Y12 WeakPolarHBondContact O-CE2 3.2Å; L9-Y12 PolarHBondContact O-N 3.2Å; E10-Y12 PolarHBondContact O-N 3.38Å; E10-Y12 VanDerWaalsContact O-N 3.16Å; Y12-I15 HydrophobicContact CD1-CD1 3.55Å; Y12-I15 HydrophobicContact CE1-CD1 4.41Å; Y12-I15 HydrophobicContact CG-CD1 4.37Å
13K66.7Low66.3Low155 Ų155122.4 Ų122.467%0.67460%0.597SS**THydrogen-bonded Turntrans-70.9-28.9-178.6-95.1-177.2173.4175.20114.4E10E10-K13 PolarHBondContact O-N 3.17Å
14D70Confident68.2Low157 Ų157119.7 Ų119.784%0.8458%0.583SS**THydrogen-bonded Turntrans-109.621.1-172.2-58.7-41.7000112.4
15I77.3Confident69.8Low75 Ų75117 Ų11739%0.38556%0.564SS.*  trans-83.5129.4176.5-65.1-177.2000108.8Y12 E17 I20Y12-I15 HydrophobicContact CD1-CD1 3.55Å; Y12-I15 HydrophobicContact CE1-CD1 4.41Å; Y12-I15 HydrophobicContact CG-CD1 4.37Å; I15-E17 PolarHBondContact O-N 3.13Å; I15-E17 VanDerWaalsContact O-N 3.12Å; I15-I20 HydrophobicContact CG2-CD1 3.28Å; I15-I20 HydrophobicContact CG2-CG1 4.39Å
16D77.1Confident71Confident91 Ų91119 Ų11949%0.48758%0.575SS.*  trans-75.896.4172-167.1-26.9000109.3D18 E19 I20D16-D18 VanDerWaalsContact C-N 3.25Å; D16-D18 PolarHBondContact O-N 3.39Å; D16-D18 PolarHBondContact OD1-N 3.48Å; D16-E19 HydrophobicContact CB-CB 3.96Å; D16-E19 PolarHBondContact O-N 3.22Å; D16-E19 PolarHBondContact OD1-N 3.22Å; D16-E19 VanDerWaalsContact OD1-N 3.14Å; D16-I20 PolarHBondContact O-N 2.77Å
17E71.3Confident72.3Confident143 Ų143120 Ų12067%0.66858%0.582SS**Hα-helixtrans-61.5-35.5-178.7-62.7-179.717500111.3I15 I20 L21I15-E17 PolarHBondContact O-N 3.13Å; I15-E17 VanDerWaalsContact O-N 3.12Å; E17-I20 PolarHBondContact O-N 3.11Å; E17-L21 VanDerWaalsContact O-CG 3.27Å; E17-L21 WeakPolarHBondContact O-CG 3.46Å; E17-L21 PolarHBondContact O-N 2.79Å
18D75.4Confident73.5Confident114 Ų114115.7 Ų115.761%0.6157%0.565SS**Hα-helixtrans-71.4-35.2-178.9-67.4-34.3000111.6D16 I20 N22D16-D18 VanDerWaalsContact C-N 3.25Å; D16-D18 PolarHBondContact O-N 3.39Å; D16-D18 PolarHBondContact OD1-N 3.48Å; D18-I20 VanDerWaalsContact C-N 3.32Å; D18-I20 PolarHBondContact O-N 2.92Å; D18-N22 WeakPolarHBondContact O-CB 3.48Å; D18-N22 PolarHBondContact O-N 3.26Å; D18-N22 VanDerWaalsContact O-N 3.09Å; D18-N22 PolarHBondContact O-ND2 3.06Å
19E82.1Confident74.5Confident104 Ų104114 Ų11449%0.48656%0.555SS.*Hα-helixtrans-66.5-34.7174.8-161.1-167.6159.200111.9D16 K23D16-E19 HydrophobicContact CB-CB 3.96Å; D16-E19 PolarHBondContact O-N 3.22Å; D16-E19 PolarHBondContact OD1-N 3.22Å; D16-E19 VanDerWaalsContact OD1-N 3.14Å; E19-K23 WeakPolarHBondContact O-CD 3.38Å; E19-K23 WeakPolarHBondContact O-CG 3.43Å; E19-K23 WeakPolarHBondContact OE1-CE 3.34Å; E19-K23 IonicContact OE1-NZ 2.65Å; E19-K23 PolarHBondContact OE1-NZ 2.94Å
20I77.1Confident75.2Confident88 Ų88115.8 Ų115.845%0.45156%0.559SS.*Hα-helixtrans-73.4-45.4177.7-65.6177.2000110.6I15 D16 E17 D18 N22 K23 L24I15-I20 HydrophobicContact CG2-CD1 3.28Å; I15-I20 HydrophobicContact CG2-CG1 4.39Å; D16-I20 PolarHBondContact O-N 2.77Å; E17-I20 PolarHBondContact O-N 3.11Å; D18-I20 VanDerWaalsContact C-N 3.32Å; D18-I20 PolarHBondContact O-N 2.92Å; I20-N22 VanDerWaalsContact C-N 3.29Å; I20-N22 PolarHBondContact O-N 3.32Å; I20-K23 PolarHBondContact O-N 3.38Å; I20-K23 VanDerWaalsContact O-N 3.09Å; I20-L24 PolarHBondContact O-N 3.23Å
21L72.7Confident75.8Confident72 Ų72115.6 Ų115.638%0.37756%0.558SS.*Hα-helixtrans-61.9-37.4179.4-71171.2000112.1E17 K23 L24 L29 L32E17-L21 VanDerWaalsContact O-CG 3.27Å; E17-L21 WeakPolarHBondContact O-CG 3.46Å; E17-L21 PolarHBondContact O-N 2.79Å; L21-K23 VanDerWaalsContact C-N 3.25Å; L21-K23 PolarHBondContact O-N 3.14Å; L21-L24 HydrophobicContact CD2-CD1 4.24Å; L21-L24 PolarHBondContact O-N 2.95Å; L21-L29 HydrophobicContact CD2-CD2 4.14Å; L21-L32 HydrophobicContact CD2-CD2 4.39Å
22N78.9Confident76.1Confident142 Ų142113.6 Ų113.676%0.75955%0.553SS**THydrogen-bonded Turntrans-71-16.4176.6-77.2-47.8000114.3D18 I20D18-N22 WeakPolarHBondContact O-CB 3.48Å; D18-N22 PolarHBondContact O-N 3.26Å; D18-N22 VanDerWaalsContact O-N 3.09Å; D18-N22 PolarHBondContact O-ND2 3.06Å; I20-N22 VanDerWaalsContact C-N 3.29Å; I20-N22 PolarHBondContact O-N 3.32Å
23K83Confident76.3Confident145 Ų145113.4 Ų113.463%0.6356%0.556SS**THydrogen-bonded Turntrans-90.3-12.4176.7-73.7171.6-173.5167.10113.1E19 I20 L21E19-K23 WeakPolarHBondContact O-CD 3.38Å; E19-K23 WeakPolarHBondContact O-CG 3.43Å; E19-K23 WeakPolarHBondContact OE1-CE 3.34Å; E19-K23 IonicContact OE1-NZ 2.65Å; E19-K23 PolarHBondContact OE1-NZ 2.94Å; I20-K23 PolarHBondContact O-N 3.38Å; I20-K23 VanDerWaalsContact O-N 3.09Å; L21-K23 VanDerWaalsContact C-N 3.25Å; L21-K23 PolarHBondContact O-N 3.14Å
24L79.8Confident76.4Confident53 Ų53109.1 Ų109.128%0.27754%0.543SS..SBendtrans-79.1140.9178.5-70.7167.7000110.6I20 L21 E28 L29I20-L24 PolarHBondContact O-N 3.23Å; L21-L24 HydrophobicContact CD2-CD1 4.24Å; L21-L24 PolarHBondContact O-N 2.95Å; L24-E28 HydrophobicContact CB-CB 4.42Å; L24-E28 HydrophobicContact CD2-CB 4.01Å; L24-L29 HydrophobicContact CB-CD1 4.44Å; L24-L29 HydrophobicContact CB-CG 3.97Å; L24-L29 HydrophobicContact CD1-CD2 4.46Å
25S84.7Confident76.3Confident54 Ų54106.2 Ų106.238%0.37853%0.531SS..  trans-73.1159.2171.963.60000111.3E27 E28 L29S25-E27 PolarHBondContact O-N 3.3Å; S25-E28 WeakPolarHBondContact CB-OE2 3.39Å; S25-E28 PolarHBondContact N-OE2 3.23Å; S25-E28 PolarHBondContact O-N 3.42Å; S25-E28 VanDerWaalsContact OG-CD 3.25Å; S25-E28 VanDerWaalsContact OG-CG 3.27Å; S25-E28 WeakPolarHBondContact OG-CG 3.47Å; S25-E28 PolarHBondContact OG-OE2 2.95Å; S25-L29 PolarHBondContact O-N 3.26Å
26E78.7Confident75.6Confident175 Ų175108.5 Ų108.582%0.81854%0.543SS*.Hα-helixtrans-59.8-29-178.1-158.1173.6-173.500112.5K30E26-K30 WeakPolarHBondContact O-CB 3.36Å; E26-K30 PolarHBondContact O-N 3.01Å
27E78.2Confident74.7Confident163 Ų163109.4 Ų109.476%0.76255%0.545SS*.Hα-helixtrans-74.4-37.2175.1-64.5-177.4174.800112.7S25 K30 Q31S25-E27 PolarHBondContact O-N 3.3Å; E27-K30 PolarHBondContact O-N 3.39Å; E27-Q31 PolarHBondContact O-N 3.27Å; E27-Q31 VanDerWaalsContact O-N 3.07Å
28E79.8Confident74.1Confident94 Ų94110.5 Ų110.544%0.43955%0.55SS..Hα-helixtrans-74.3-36.9178.2-69.4168136.600111.9L24 S25 K30 Q31 L32L24-E28 HydrophobicContact CB-CB 4.42Å; L24-E28 HydrophobicContact CD2-CB 4.01Å; S25-E28 WeakPolarHBondContact CB-OE2 3.39Å; S25-E28 PolarHBondContact N-OE2 3.23Å; S25-E28 PolarHBondContact O-N 3.42Å; S25-E28 VanDerWaalsContact OG-CD 3.25Å; S25-E28 VanDerWaalsContact OG-CG 3.27Å; S25-E28 WeakPolarHBondContact OG-CG 3.47Å; S25-E28 PolarHBondContact OG-OE2 2.95Å; E28-K30 VanDerWaalsContact C-N 3.27Å; E28-K30 PolarHBondContact O-N 3.32Å; E28-Q31 PolarHBondContact O-N 2.91Å; E28-L32 WeakPolarHBondContact O-CB 3.38Å; E28-L32 PolarHBondContact O-N 2.87Å
29L77.4Confident73.3Confident70 Ų70107.9 Ų107.937%0.36654%0.538SS..Hα-helixtrans-58.5-42.1171.1-84.5159.2000111.2L21 L24 S25 L32 E33L21-L29 HydrophobicContact CD2-CD2 4.14Å; L24-L29 HydrophobicContact CB-CD1 4.44Å; L24-L29 HydrophobicContact CB-CG 3.97Å; L24-L29 HydrophobicContact CD1-CD2 4.46Å; S25-L29 PolarHBondContact O-N 3.26Å; L29-L32 WeakPolarHBondContact O-CB 3.43Å; L29-L32 PolarHBondContact O-N 2.89Å; L29-E33 WeakPolarHBondContact O-CB 3.25Å; L29-E33 PolarHBondContact O-N 3.36Å
30K74.5Confident72Confident145 Ų145107.7 Ų107.763%0.6354%0.54SS*.Hα-helixtrans-69.2-35.3178.8-159.7173.2-173.61750112.8E26 E27 E28 T34E26-K30 WeakPolarHBondContact O-CB 3.36Å; E26-K30 PolarHBondContact O-N 3.01Å; E27-K30 PolarHBondContact O-N 3.39Å; E28-K30 VanDerWaalsContact C-N 3.27Å; E28-K30 PolarHBondContact O-N 3.32Å; K30-T34 PolarHBondContact O-N 3.08Å; K30-T34 PolarHBondContact O-OG1 2.86Å
31Q76.8Confident71.1Confident135 Ų135108.3 Ų108.363%0.63155%0.55SS*.Hα-helixtrans-67-41.2170.9-80-177.8-8.100112E27 E28 E33 T34 V35E27-Q31 PolarHBondContact O-N 3.27Å; E27-Q31 VanDerWaalsContact O-N 3.07Å; E28-Q31 PolarHBondContact O-N 2.91Å; Q31-E33 VanDerWaalsContact C-N 3.32Å; Q31-E33 PolarHBondContact O-N 2.7Å; Q31-T34 PolarHBondContact O-N 3.45Å; Q31-V35 WeakPolarHBondContact O-CG2 3.33Å; Q31-V35 PolarHBondContact O-N 3.2Å
32L73.1Confident70.2Confident85 Ų85112.4 Ų112.445%0.44557%0.567SS.*Hα-helixtrans-62.9-40.9176.8-159.280.3000111.3L21 E28 L29 V35 L36L21-L32 HydrophobicContact CD2-CD2 4.39Å; E28-L32 WeakPolarHBondContact O-CB 3.38Å; E28-L32 PolarHBondContact O-N 2.87Å; L29-L32 WeakPolarHBondContact O-CB 3.43Å; L29-L32 PolarHBondContact O-N 2.89Å; L32-V35 PolarHBondContact O-N 3.45Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.1Å
33E67.6Low69.5Low121 Ų121107.9 Ų107.957%0.56554%0.543SS*.Hα-helixtrans-60.4-45.3173.1-168.6173.8-161.500111.2L29 Q31 V35 L36 E37L29-E33 WeakPolarHBondContact O-CB 3.25Å; L29-E33 PolarHBondContact O-N 3.36Å; Q31-E33 VanDerWaalsContact C-N 3.32Å; Q31-E33 PolarHBondContact O-N 2.7Å; E33-V35 VanDerWaalsContact C-N 3.34Å; E33-V35 PolarHBondContact O-N 2.95Å; E33-L36 PolarHBondContact O-N 3.18Å; E33-E37 WeakPolarHBondContact O-CG 3.49Å; E33-E37 PolarHBondContact O-N 3.5Å
34T68.8Low68.5Low66 Ų66105.2 Ų105.241%0.40555%0.548SS..Hα-helixtrans-63.3-37.6176.5-48.40000112.3K30 Q31 E37 E38K30-T34 PolarHBondContact O-N 3.08Å; K30-T34 PolarHBondContact O-OG1 2.86Å; Q31-T34 PolarHBondContact O-N 3.45Å; T34-E37 WeakPolarHBondContact O-CB 3.35Å; T34-E37 PolarHBondContact O-N 2.8Å; T34-E38 PolarHBondContact O-N 3.13Å
35V67.4Low67.8Low96 Ų96110.2 Ų110.258%0.58257%0.574SS**Hα-helixtrans-70.8-33.6177.3171.40000111.8Q31 L32 E33 E37 E38Q31-V35 WeakPolarHBondContact O-CG2 3.33Å; Q31-V35 PolarHBondContact O-N 3.2Å; L32-V35 PolarHBondContact O-N 3.45Å; E33-V35 VanDerWaalsContact C-N 3.34Å; E33-V35 PolarHBondContact O-N 2.95Å; V35-E37 VanDerWaalsContact C-N 3.3Å; V35-E38 PolarHBondContact O-N 2.97Å
36L62.7Low66.4Low123 Ų123110.8 Ų110.864%0.64457%0.572SS**Hα-helixtrans-67.6-30.6170.4-73.4169.2000112L32 E33 V39L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.1Å; E33-L36 PolarHBondContact O-N 3.18Å; L36-V39 WeakPolarHBondContact O-CB 3.43Å; L36-V39 WeakPolarHBondContact O-CG2 3.18Å; L36-V39 PolarHBondContact O-N 3.05Å
37E59Low65.6Low110 Ų110106 Ų10651%0.51456%0.556SS.*Hα-helixtrans-70.5-25.9176-72-179147.400113.6E33 T34 V35 V39 K53E33-E37 WeakPolarHBondContact O-CG 3.49Å; E33-E37 PolarHBondContact O-N 3.5Å; T34-E37 WeakPolarHBondContact O-CB 3.35Å; T34-E37 PolarHBondContact O-N 2.8Å; V35-E37 VanDerWaalsContact C-N 3.3Å; E37-V39 VanDerWaalsContact C-N 3.32Å; E37-K53 IonicContact OE1-NZ 3.81Å; E37-K53 PolarHBondContact OE1-NZ 3.03Å
38E59Low64.9Low166 Ų166102.2 Ų102.278%0.77655%0.553SS**THydrogen-bonded Turntrans-86.73.2175.4-68-170.4168.100113.7T34 V35 D40T34-E38 PolarHBondContact O-N 3.13Å; V35-E38 PolarHBondContact O-N 2.97Å; E38-D40 PolarHBondContact O-N 3.22Å
39V58.1Low63.9Low58 Ų58102.6 Ų102.635%0.35257%0.566SS.*SBendtrans-70124.4179.2178.40000110.1L36 E37 N43 L46L36-V39 WeakPolarHBondContact O-CB 3.43Å; L36-V39 WeakPolarHBondContact O-CG2 3.18Å; L36-V39 PolarHBondContact O-N 3.05Å; E37-V39 VanDerWaalsContact C-N 3.32Å; V39-N43 HydrophobicContact CG1-CB 4.35Å; V39-N43 WeakPolarHBondContact CG1-ND2 3.31Å; V39-L46 HydrophobicContact CG1-CD1 4.35Å
40D56.1Low63.2Low100 Ų100105.7 Ų105.754%0.53558%0.58SS.*  trans-37.1119.2-177.8-174.1-3.3000113.4E38 E42 N43E38-D40 PolarHBondContact O-N 3.22Å; D40-E42 PolarHBondContact O-N 3.39Å; D40-E42 WeakPolarHBondContact OD1-CB 3.41Å; D40-E42 PolarHBondContact OD1-N 3.25Å; D40-N43 WeakPolarHBondContact O-CB 3.5Å; D40-N43 PolarHBondContact O-N 2.94Å
41P56.3Low62.7Low102 Ų102103.3 Ų103.366%0.66257%0.567SS**THydrogen-bonded Turntrans-60.1-18.8178.821.6-31.1000113.6N43P41-N43 VanDerWaalsContact C-N 3.32Å
42E54.3Low61.8Low157 Ų157103.9 Ų103.973%0.73457%0.57SS**THydrogen-bonded Turntrans-82.6-1.5174.3-74-84.313000113.6D40 A44 R51D40-E42 PolarHBondContact O-N 3.39Å; D40-E42 WeakPolarHBondContact OD1-CB 3.41Å; D40-E42 PolarHBondContact OD1-N 3.25Å; E42-A44 PolarHBondContact O-N 3.45Å; E42-R51 PolarHBondContact O-NH1 2.81Å
43N65.1Low61.2Low48 Ų48106.8 Ų106.826%0.25758%0.579SS.*  trans-57.295.8-173.8-172.9-5.2000112.6V39 D40 P41 L45 L46 R51V39-N43 HydrophobicContact CG1-CB 4.35Å; V39-N43 WeakPolarHBondContact CG1-ND2 3.31Å; D40-N43 WeakPolarHBondContact O-CB 3.5Å; D40-N43 PolarHBondContact O-N 2.94Å; P41-N43 VanDerWaalsContact C-N 3.32Å; N43-L45 PolarHBondContact O-N 3.44Å; N43-L45 WeakPolarHBondContact OD1-CB 3.37Å; N43-L45 PolarHBondContact OD1-N 2.97Å; N43-L46 HydrophobicContact CB-CD1 4.38Å; N43-L46 PolarHBondContact O-N 2.98Å; N43-L46 VanDerWaalsContact O-N 3.09Å; N43-R51 PolarHBondContact O-NH1 3.22Å; N43-R51 VanDerWaalsContact O-NH1 3.15Å; N43-R51 PolarHBondContact O-NH2 2.99Å
44A61.1Low60.8Low88 Ų88108 Ų10873%0.72759%0.589SS**THydrogen-bonded Turntrans-56-17.9-174.700000114.1E42 R51E42-A44 PolarHBondContact O-N 3.45Å; A44-R51 VanDerWaalsContact CA-NH2 3.27Å; A44-R51 PolarHBondContact O-NH2 2.68Å
45L64.8Low60.5Low159 Ų159113.1 Ų113.183%0.83261%0.609SS**THydrogen-bonded Turntrans-85-16.4-177.4-66.1160.9000113.6N43N43-L45 PolarHBondContact O-N 3.44Å; N43-L45 WeakPolarHBondContact OD1-CB 3.37Å; N43-L45 PolarHBondContact OD1-N 2.97Å
46L56.8Low60.3Low66 Ų66112 Ų11235%0.34660%0.602SS.*SBendtrans-91.9133.9178.1-68.1172.3000111.3V39 N43 R51V39-L46 HydrophobicContact CG1-CD1 4.35Å; N43-L46 HydrophobicContact CB-CD1 4.38Å; N43-L46 PolarHBondContact O-N 2.98Å; N43-L46 VanDerWaalsContact O-N 3.09Å; L46-R51 HydrophobicContact CB-CG 4.34Å; L46-R51 VanDerWaalsContact O-CZ 3.25Å; L46-R51 PolarHBondContact O-NE 3.14Å; L46-R51 PolarHBondContact O-NH2 3.22Å
47P61.6Low60.7Low74 Ų74114.5 Ų114.548%0.48162%0.616SS.*  trans-55.9145.1172.1-23.633.3000111.7S49 M50P47-S49 PolarHBondContact O-N 3.45Å; P47-M50 HydrophobicContact CG-SD 4.17Å; P47-M50 PolarHBondContact O-N 2.85Å
48A63Low61.4Low84 Ų84117.4 Ų117.469%0.69463%0.627SS**G310 helixtrans-54.8-32.5-17500000113.9M50 R51A48-M50 PolarHBondContact O-N 3.34Å; A48-R51 PolarHBondContact O-N 3.34Å
49S59.1Low62.2Low101 Ų101114.4 Ų114.471%0.70663%0.625SS**G310 helixtrans-68.7-15.4177.157.30000114.6P47P47-S49 PolarHBondContact O-N 3.45Å
50M61.7Low62.9Low136 Ų136116.6 Ų116.667%0.6765%0.648SS**G310 helixtrans-106.51.5-178.6-67.3176.4164.600112.5P47 A48P47-M50 HydrophobicContact CG-SD 4.17Å; P47-M50 PolarHBondContact O-N 2.85Å; A48-M50 PolarHBondContact O-N 3.34Å
51R64.6Low63.6Low95 Ų95117.7 Ų117.736%0.35866%0.659SS.*SBendtrans-87.5-16178.4-62.9179.1-173.9-121.8-0.5113.2E42 N43 A44 L46 A48E42-R51 PolarHBondContact O-NH1 2.81Å; N43-R51 PolarHBondContact O-NH1 3.22Å; N43-R51 VanDerWaalsContact O-NH1 3.15Å; N43-R51 PolarHBondContact O-NH2 2.99Å; A44-R51 VanDerWaalsContact CA-NH2 3.27Å; A44-R51 PolarHBondContact O-NH2 2.68Å; L46-R51 HydrophobicContact CB-CG 4.34Å; L46-R51 VanDerWaalsContact O-CZ 3.25Å; L46-R51 PolarHBondContact O-NE 3.14Å; L46-R51 PolarHBondContact O-NH2 3.22Å; A48-R51 PolarHBondContact O-N 3.34Å
52Q58.3Low64.7Low146 Ų146115.4 Ų115.468%0.68265%0.654SS**SBendtrans-126.2126-174.5-171.6175.4-33.200109.5
53K60.3Low65.8Low146 Ų146114 Ų11464%0.63566%0.658SS**  trans-64.8143.7176.1-174.6170.3-174.7160.70110.9E37 Q55E37-K53 IonicContact OE1-NZ 3.81Å; E37-K53 PolarHBondContact OE1-NZ 3.03Å; K53-Q55 PolarHBondContact O-N 2.98Å
54D58.5Low66.6Low146 Ų146119.6 Ų119.678%0.78168%0.681SS**  trans-65.8110.9162.6-96.7-28.7000108.7T56D54-T56 PolarHBondContact O-N 2.88Å; D54-T56 VanDerWaalsContact O-N 3.07Å
55Q63.4Low67.6Low174 Ų174119.6 Ų119.681%0.81367%0.669SS**  trans-80.120.5-176-60.8-1771000112.8K53K53-Q55 PolarHBondContact O-N 2.98Å
56T63.7Low68.7Low72 Ų72119.6 Ų119.644%0.44266%0.658SS.*  trans-144.4130.6-174.8-164.80000112.5D54 K58D54-T56 PolarHBondContact O-N 2.88Å; D54-T56 VanDerWaalsContact O-N 3.07Å; T56-K58 HydrophobicContact CG2-CB 4.45Å; T56-K58 PolarHBondContact O-N 3.25Å; T56-K58 WeakPolarHBondContact OG1-CB 3.49Å; T56-K58 WeakPolarHBondContact OG1-CG 3.19Å; T56-K58 PolarHBondContact OG1-N 2.99Å
57D70.8Confident70.2Confident176 Ų176121.3 Ų121.394%0.94167%0.667SS**  trans-78.84.1171.3-49.7-50000112.2
58K73.8Confident71.4Confident172 Ų172125.6 Ų125.675%0.74867%0.674SS**PPolyproline II helixtrans-80.9124.4-177.6-66.3178.8-178.4177.40109.7T56T56-K58 HydrophobicContact CG2-CB 4.45Å; T56-K58 PolarHBondContact O-N 3.25Å; T56-K58 WeakPolarHBondContact OG1-CB 3.49Å; T56-K58 WeakPolarHBondContact OG1-CG 3.19Å; T56-K58 PolarHBondContact OG1-N 2.99Å
59S74.8Confident72.5Confident103 Ų103125.1 Ų125.172%0.7266%0.659SS**PPolyproline II helixtrans-56.2141170.458.60000111.3T61S59-T61 PolarHBondContact O-N 2.85Å; S59-T61 VanDerWaalsContact O-N 3.15Å
60A72.7Confident73.9Confident103 Ų103123.7 Ų123.785%0.85164%0.643SS**PPolyproline II helixtrans-51.1120.617900000111.4G62A60-G62 PolarHBondContact O-N 2.97Å
61T71.5Confident75.4Confident124 Ų124124.2 Ų124.276%0.76164%0.642SS**  trans-83.79.5-174.117.40000113.7S59S59-T61 PolarHBondContact O-N 2.85Å; S59-T61 VanDerWaalsContact O-N 3.15Å
62G79.3Confident76.6Confident54 Ų54126.1 Ų126.156%0.55765%0.65SS**  trans90.2-173.7-178.100000113.5A60A60-G62 PolarHBondContact O-N 2.97Å
63P77.6Confident78Confident127 Ų127123 Ų12383%0.82564%0.638SS**SBendtrans-63.1151.8176.426.6-33000111.4D65P63-D65 PolarHBondContact O-N 3.09Å
64F80.7Confident79.5Confident165 Ų165122.4 Ų122.472%0.72464%0.637SS**  trans-58.3119.2-177.4175.7-102.9000112.2R66 L69F64-R66 HydrophobicContact CE1-CB 3.92Å; F64-R66 HydrophobicContact CZ-CB 4.24Å; F64-L69 HydrophobicContact CE2-CD2 3.86Å; F64-L69 HydrophobicContact CZ-CD2 4.25Å
65D83.1Confident81.2Confident89 Ų89121.5 Ų121.548%0.47663%0.626SS.*  trans-114.3106.5174.4-176.7-13.5000109.8P63 D67 R68 L69P63-D65 PolarHBondContact O-N 3.09Å; D65-D67 PolarHBondContact O-N 3.44Å; D65-D67 PolarHBondContact OD1-N 3.12Å; D65-D67 VanDerWaalsContact OD1-N 3.14Å; D65-R68 HydrophobicContact CB-CB 4.05Å; D65-R68 PolarHBondContact O-N 3.22Å; D65-R68 PolarHBondContact OD1-N 3.49Å; D65-L69 PolarHBondContact O-N 3.49Å
66R87.3Confident82.4Confident159 Ų159117.3 Ų117.360%0.661%0.606SS**Hα-helixtrans-62.9-39.1-175.4-176.3177.5179-87.90.4112.6F64 R68 L69 L70F64-R66 HydrophobicContact CE1-CB 3.92Å; F64-R66 HydrophobicContact CZ-CB 4.24Å; R66-R68 VanDerWaalsContact C-N 3.33Å; R66-L69 PolarHBondContact O-N 3.22Å; R66-L70 HydrophobicContact CG-CD1 4.27Å; R66-L70 WeakPolarHBondContact O-CG 3.35Å; R66-L70 PolarHBondContact O-N 2.91Å; R66-L70 VanDerWaalsContact O-N 3.08Å
67D89.1Confident83.5Confident101 Ų101117.4 Ų117.454%0.5461%0.614SS.*Hα-helixtrans-73.4-33.4-174.9-69-16.3000110.8D65 K71D65-D67 PolarHBondContact O-N 3.44Å; D65-D67 PolarHBondContact OD1-N 3.12Å; D65-D67 VanDerWaalsContact OD1-N 3.14Å; D67-K71 WeakPolarHBondContact O-CG 3.21Å; D67-K71 PolarHBondContact O-N 2.76Å
68R87.1Confident84.2Confident165 Ų165117.1 Ų117.162%0.62361%0.609SS**Hα-helixtrans-67.6-39.5173.5-168.4176.5179.7-174.7-0.9112.1D65 R66 Y72D65-R68 HydrophobicContact CB-CB 4.05Å; D65-R68 PolarHBondContact O-N 3.22Å; D65-R68 PolarHBondContact OD1-N 3.49Å; R66-R68 VanDerWaalsContact C-N 3.33Å; R68-Y72 PolarHBondContact O-N 3.25Å; R68-Y72 VanDerWaalsContact O-N 3.1Å
69L86.1Confident84.9Confident74 Ų74115.1 Ų115.139%0.38760%0.603SS.*Hα-helixtrans-64-45.9175.8177.462.1000111.6F64 D65 R66 K71 Y72 L73F64-L69 HydrophobicContact CE2-CD2 3.86Å; F64-L69 HydrophobicContact CZ-CD2 4.25Å; D65-L69 PolarHBondContact O-N 3.49Å; R66-L69 PolarHBondContact O-N 3.22Å; L69-K71 PolarHBondContact O-N 2.97Å; L69-Y72 WeakPolarHBondContact O-CB 3.45Å; L69-Y72 PolarHBondContact O-N 2.84Å; L69-L73 HydrophobicContact CD1-CD1 4.15Å; L69-L73 HydrophobicContact CD1-CG 4.17Å; L69-L73 HydrophobicContact CG-CD1 4.04Å; L69-L73 HydrophobicContact CG-CG 4.45Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 2.72Å
70L88.1Confident85.4Confident71 Ų71117 Ų11737%0.37260%0.595SS.*Hα-helixtrans-61.2-44.7179.8-72.4170.1000111.9R66 Y72 L73 E74R66-L70 HydrophobicContact CG-CD1 4.27Å; R66-L70 WeakPolarHBondContact O-CG 3.35Å; R66-L70 PolarHBondContact O-N 2.91Å; R66-L70 VanDerWaalsContact O-N 3.08Å; L70-Y72 VanDerWaalsContact C-N 3.3Å; L70-Y72 PolarHBondContact O-N 3.18Å; L70-L73 PolarHBondContact O-N 2.81Å; L70-E74 WeakPolarHBondContact O-CG 3.43Å; L70-E74 PolarHBondContact O-N 3.12Å
71K92.3Very high85.8Confident147 Ų147120.8 Ų120.864%0.63959%0.592SS**Hα-helixtrans-61.8-36.9175.2-73.3174.4-177.5171.80112.9D67 L69 K75D67-K71 WeakPolarHBondContact O-CG 3.21Å; D67-K71 PolarHBondContact O-N 2.76Å; L69-K71 PolarHBondContact O-N 2.97Å; K71-K75 VanDerWaalsContact O-CB 3.31Å; K71-K75 WeakPolarHBondContact O-CB 3.44Å; K71-K75 PolarHBondContact O-N 3.45Å; K71-K75 VanDerWaalsContact O-N 3.11Å
72Y89.3Confident86Confident134 Ų134122 Ų12253%0.52559%0.594SS.*Hα-helixtrans-64.8-47175.5172.5-93.1000111R68 L69 L70 K75 E76R68-Y72 PolarHBondContact O-N 3.25Å; R68-Y72 VanDerWaalsContact O-N 3.1Å; L69-Y72 WeakPolarHBondContact O-CB 3.45Å; L69-Y72 PolarHBondContact O-N 2.84Å; L70-Y72 VanDerWaalsContact C-N 3.3Å; L70-Y72 PolarHBondContact O-N 3.18Å; Y72-K75 PolarHBondContact O-N 2.96Å; Y72-E76 WeakPolarHBondContact CE1-OE2 3.42Å; Y72-E76 WeakPolarHBondContact O-CB 3.5Å; Y72-E76 PolarHBondContact O-N 3.27Å; Y72-E76 PolarHBondContact OH-OE1 2.77Å; Y72-E76 PolarHBondContact OH-OE2 3.35Å
73L89.5Confident85.8Confident82 Ų82128.9 Ų128.943%0.42960%0.603SS.*Hα-helixtrans-65.5-40.4179.9-68.3172.7000112.5L69 L70 K75 E76 A77L69-L73 HydrophobicContact CD1-CD1 4.15Å; L69-L73 HydrophobicContact CD1-CG 4.17Å; L69-L73 HydrophobicContact CG-CD1 4.04Å; L69-L73 HydrophobicContact CG-CG 4.45Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 2.72Å; L70-L73 PolarHBondContact O-N 2.81Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-E76 PolarHBondContact O-N 3.26Å; L73-A77 VanDerWaalsContact O-CB 3.27Å; L73-A77 WeakPolarHBondContact O-CB 2.97Å; L73-A77 PolarHBondContact O-N 3.09Å
74E91.4Very high85.7Confident133 Ų133130.4 Ų130.462%0.62160%0.604SS**Hα-helixtrans-62.1-42.5174.2-76.417817400111.6L70 M78L70-E74 WeakPolarHBondContact O-CG 3.43Å; L70-E74 PolarHBondContact O-N 3.12Å; E74-M78 VanDerWaalsContact O-CG 3.25Å; E74-M78 WeakPolarHBondContact O-CG 3.45Å; E74-M78 PolarHBondContact O-N 3.45Å; E74-M78 VanDerWaalsContact O-N 3.08Å
75K92.6Very high85Confident126 Ų126128.3 Ų128.355%0.54860%0.601SS.*Hα-helixtrans-66.2-44.7177.5-175.2178.3173.6-176.90111.6K71 Y72 L73 M78 E79K71-K75 VanDerWaalsContact O-CB 3.31Å; K71-K75 WeakPolarHBondContact O-CB 3.44Å; K71-K75 PolarHBondContact O-N 3.45Å; K71-K75 VanDerWaalsContact O-N 3.11Å; Y72-K75 PolarHBondContact O-N 2.96Å; L73-K75 VanDerWaalsContact C-N 3.33Å; K75-M78 PolarHBondContact O-N 3.5Å; K75-E79 WeakPolarHBondContact CE-OE1 3.27Å; K75-E79 IonicContact NZ-OE1 2.67Å; K75-E79 WeakPolarHBondContact O-CB 3.47Å; K75-E79 WeakPolarHBondContact O-CG 3.49Å; K75-E79 PolarHBondContact O-N 3.5Å
76E90.6Very high84.5Confident87 Ų87132.4 Ų132.441%0.40762%0.621SS.*Hα-helixtrans-63.8-40.8178.1-172.7171.8-150.300111.4Y72 L73 M78 E79 Y80Y72-E76 WeakPolarHBondContact CE1-OE2 3.42Å; Y72-E76 WeakPolarHBondContact O-CB 3.5Å; Y72-E76 PolarHBondContact O-N 3.27Å; Y72-E76 PolarHBondContact OH-OE1 2.77Å; Y72-E76 PolarHBondContact OH-OE2 3.35Å; L73-E76 PolarHBondContact O-N 3.26Å; E76-M78 VanDerWaalsContact C-N 3.34Å; E76-M78 PolarHBondContact O-N 3.32Å; E76-E79 PolarHBondContact O-N 2.98Å; E76-Y80 WeakPolarHBondContact O-CB 3.45Å; E76-Y80 PolarHBondContact O-N 3.21Å
77A85.4Confident83.7Confident73 Ų73130.3 Ų130.360%0.60363%0.625SS**Hα-helixtrans-64.5-36.4175.500000112.8L73L73-A77 VanDerWaalsContact O-CB 3.27Å; L73-A77 WeakPolarHBondContact O-CB 2.97Å; L73-A77 PolarHBondContact O-N 3.09Å
78M84.9Confident82.8Confident170 Ų170130.2 Ų130.284%0.83763%0.63SS**Hα-helixtrans-74-29.4175.6-71.2-73.3-79.400112.9E74 K75 E76E74-M78 VanDerWaalsContact O-CG 3.25Å; E74-M78 WeakPolarHBondContact O-CG 3.45Å; E74-M78 PolarHBondContact O-N 3.45Å; E74-M78 VanDerWaalsContact O-N 3.08Å; K75-M78 PolarHBondContact O-N 3.5Å; E76-M78 VanDerWaalsContact C-N 3.34Å; E76-M78 PolarHBondContact O-N 3.32Å
79E90.4Very high81.8Confident130 Ų130131 Ų13161%0.60764%0.638SS**Hα-helixtrans-85.7-23178.4-74.5178.2179.200112.8K75 E76 K81K75-E79 WeakPolarHBondContact CE-OE1 3.27Å; K75-E79 IonicContact NZ-OE1 2.67Å; K75-E79 WeakPolarHBondContact O-CB 3.47Å; K75-E79 WeakPolarHBondContact O-CG 3.49Å; K75-E79 PolarHBondContact O-N 3.5Å; E76-E79 PolarHBondContact O-N 2.98Å; E79-K81 PolarHBondContact O-N 2.96Å
80Y84.6Confident81Confident144 Ų144132.6 Ų132.657%0.56565%0.651SS**SBendtrans-66.6114.5176.6-163.2-92.3000109.6E76 D82E76-Y80 WeakPolarHBondContact O-CB 3.45Å; E76-Y80 PolarHBondContact O-N 3.21Å; Y80-D82 PolarHBondContact O-N 2.86Å
81K81.6Confident80Confident181 Ų181131.7 Ų131.779%0.78766%0.66SS**PPolyproline II helixtrans-68132.1176.6-66.3-177.5179.6-179.50109.5E79 R83E79-K81 PolarHBondContact O-N 2.96Å; K81-R83 PolarHBondContact O-N 3.43Å
82D74.6Confident78.9Confident149 Ų149131.3 Ų131.380%0.79766%0.66SS**PPolyproline II helixtrans-53.4136.5168.6-75.6-26.5000109.4Y80 D84Y80-D82 PolarHBondContact O-N 2.86Å; D82-D84 PolarHBondContact O-N 2.81Å
83R76.3Confident77.6Confident200 Ų200134.8 Ų134.876%0.75568%0.678SS**PPolyproline II helixtrans-67.8130.7177-71.3-177.6176.8-175.9-1.7108.3K81 D85K81-R83 PolarHBondContact O-N 3.43Å; R83-D85 PolarHBondContact O-N 2.66Å
84D74.5Confident76.3Confident159 Ų159140.2 Ų140.285%0.8570%0.698SS**PPolyproline II helixtrans-62.7122.6174.3-67.2-40.6000109.7D82 I86D82-D84 PolarHBondContact O-N 2.81Å; D84-I86 PolarHBondContact O-N 3.07Å
85D67Low75Confident121 Ų121136.9 Ų136.965%0.64770%0.7SS**PPolyproline II helixtrans-62.3125.2173.4-73.2-33.1000109.4R83 V87R83-D85 PolarHBondContact O-N 2.66Å; D85-V87 PolarHBondContact O-N 2.92Å
86I71.1Confident73.9Confident175 Ų175140.7 Ų140.790%0.89772%0.716SS**SBendtrans-56.9-24.8178.1-64.5169.7000111.4D84D84-I86 PolarHBondContact O-N 3.07Å
87V70.6Confident72.4Confident115 Ų115142.9 Ų142.970%0.69774%0.735SS**SBendtrans-124.5111.9172-173.30000107.8D85 F89D85-V87 PolarHBondContact O-N 2.92Å; V87-F89 PolarHBondContact O-N 2.85Å
88P70.8Confident71.3Confident98 Ų98147.6 Ų147.664%0.63674%0.742SS**  trans-61.5127.3-179.521.7-30000109.9T90P88-T90 PolarHBondContact O-N 2.88Å
89F65.1Low70.3Confident181 Ų181145 Ų14579%0.79474%0.736SS**  trans-62.2105.8178.3179.3-104.1000109.9V87 G91V87-F89 PolarHBondContact O-N 2.85Å; F89-G91 PolarHBondContact O-N 2.79Å
90T69.6Low68.9Low108 Ų108143.1 Ų143.166%0.66374%0.735SS**  trans-77.4-4-174.553.50000113.9P88 E92P88-T90 PolarHBondContact O-N 2.88Å; T90-E92 PolarHBondContact O-N 2.98Å
91G67.4Low67.8Low53 Ų53145.4 Ų145.455%0.54675%0.748SS.*  trans65.1-8.5-17900000115.6F89 K93F89-G91 PolarHBondContact O-N 2.79Å; G91-K93 PolarHBondContact O-N 2.85Å
92E68.9Low66.8Low138 Ų138145.9 Ų145.965%0.64575%0.753SS**  trans-80.8112.2178-66.7-175.5165.100110.5T90 K94T90-E92 PolarHBondContact O-N 2.98Å; E92-K94 VanDerWaalsContact C-N 3.33Å; E92-K94 PolarHBondContact O-N 2.82Å
93K62.8Low65.9Low207 Ų207147.5 Ų147.590%0.975%0.753SS**  trans-66.293.2163.9-78.1-175.3177.7179.10108.8G91 G95G91-K93 PolarHBondContact O-N 2.85Å; K93-G95 PolarHBondContact O-N 2.94Å; K93-G95 VanDerWaalsContact O-N 3.12Å
94K61.2Low64.9Low196 Ų196143.6 Ų143.685%0.85275%0.753SS**  trans-70.2106.2170.5-89.1-174.8177.1174.20110.1E92E92-K94 VanDerWaalsContact C-N 3.33Å; E92-K94 PolarHBondContact O-N 2.82Å
95G64.4Low64Low64 Ų64144.2 Ų144.266%0.6675%0.748SS**SBendtrans147.4144.617400000111.2K93 V97K93-G95 PolarHBondContact O-N 2.94Å; K93-G95 VanDerWaalsContact O-N 3.12Å; G95-V97 PolarHBondContact O-N 3.42Å
96K69.6Low63.5Low206 Ų206147 Ų14790%0.89676%0.757SS**  trans-59.9137.5167.6-66.1-178.1179.3-178.20107.7F98K96-F98 PolarHBondContact O-N 2.81Å
97V59.8Low62Low133 Ų133146.1 Ų146.181%0.80675%0.751SS**  trans-48.7119.7169177.90000106.8G95 V99G95-V97 PolarHBondContact O-N 3.42Å; V97-V99 PolarHBondContact O-N 3.11Å
98F61.8Low60.8Low171 Ų171149.6 Ų149.675%0.7576%0.758SS**  trans-63.3105.6-175.4176.3-102000108.5K96 P100K96-F98 PolarHBondContact O-N 2.81Å; F98-P100 HydrophobicContact CE1-CB 3.84Å; F98-P100 HydrophobicContact CZ-CB 4.32Å
99V64.3Low59.8Low117 Ų117153.2 Ų153.271%0.70977%0.766SS**  trans-88.5114.8165.1-176.30000105.4V97 K101V97-V99 PolarHBondContact O-N 3.11Å; V99-K101 PolarHBondContact O-N 2.88Å
100P60.2Low59.2Low89 Ų89153.1 Ų153.158%0.57877%0.768SS**  trans-58.9114.9-179.621-29.4000108.8F98 Q102F98-P100 HydrophobicContact CE1-CB 3.84Å; F98-P100 HydrophobicContact CZ-CB 4.32Å; P100-Q102 PolarHBondContact O-N 3.46Å; P100-Q102 VanDerWaalsContact O-N 3.15Å
101K62.5Low58.2Low192 Ų192156.8 Ų156.884%0.83578%0.777SS**  trans-69.2111.3169.2-68.1-177.1179.9-179.10106.5V99 K103V99-K101 PolarHBondContact O-N 2.88Å; K101-K103 VanDerWaalsContact C-N 3.32Å; K101-K103 PolarHBondContact O-N 2.89Å
102Q60.8Low57.3Low191 Ų191158 Ų15889%0.89378%0.782SS**  trans-61.5100.5165.6-68.3-172.96.600107P100P100-Q102 PolarHBondContact O-N 3.46Å; P100-Q102 VanDerWaalsContact O-N 3.15Å
103K56.1Low56.7Low183 Ų183158.1 Ų158.180%0.79679%0.793SS**  trans-67.4133.8163.9-68.3-175.2178.4-177.30106K101 K105K101-K103 VanDerWaalsContact C-N 3.32Å; K101-K103 PolarHBondContact O-N 2.89Å; K103-K105 PolarHBondContact O-N 3.09Å; K103-K105 VanDerWaalsContact O-N 3.16Å
104P55.1Low56.8Low118 Ų118153.6 Ų153.677%0.76678%0.782SS**  trans-50.3127.6157.5-15.627.9000106E106P104-E106 VanDerWaalsContact C-N 3.3Å; P104-E106 PolarHBondContact O-N 2.91Å
105K55.2Low57Low173 Ų173148.4 Ų148.475%0.75276%0.764SS**  trans-53.6102.9170.9-94.4-178.8171.2-178.50106.2K103 M107K103-K105 PolarHBondContact O-N 3.09Å; K103-K105 VanDerWaalsContact O-N 3.16Å; K105-M107 PolarHBondContact O-N 2.86Å
106E55.9Low57.7Low178 Ų178150.8 Ų150.883%0.83276%0.761SS**  trans-64.8100151-77.1-179.1177.500103.3P104 F108P104-E106 VanDerWaalsContact C-N 3.3Å; P104-E106 PolarHBondContact O-N 2.91Å; E106-F108 VanDerWaalsContact C-N 3.25Å; E106-F108 PolarHBondContact O-N 3.25Å
107M40.8Very low58.2Low157 Ų157145.9 Ų145.977%0.77375%0.75SS**  trans-57.4102165.5-69.4174.259.300104.9K105 Q109K105-M107 PolarHBondContact O-N 2.86Å; M107-Q109 VanDerWaalsContact C-N 3.3Å; M107-Q109 PolarHBondContact O-N 3.17Å
108F45.3Very low59Low189 Ų189147.3 Ų147.383%0.82975%0.748SS**  trans-53111.5148.8-104.2-94.7000104.6E106 E110E106-F108 VanDerWaalsContact C-N 3.25Å; E106-F108 PolarHBondContact O-N 3.25Å; F108-E110 PolarHBondContact O-N 3.27Å
109Q49.6Very low59.7Low174 Ų174143.4 Ų143.481%0.81374%0.735SS**  trans-65.495.7159.7-84.2-179.5-24.900104.4M107 E111M107-Q109 VanDerWaalsContact C-N 3.3Å; M107-Q109 PolarHBondContact O-N 3.17Å; Q109-E111 PolarHBondContact O-N 3.37Å; Q109-E111 VanDerWaalsContact O-N 3.12Å
110E51.4Low60.4Low178 Ų178142.5 Ų142.583%0.83272%0.723SS**  trans-55.5115.4154.4-77177.8163.500105.2F108 A112F108-E110 PolarHBondContact O-N 3.27Å; E110-A112 PolarHBondContact O-N 3.4Å
111E48.4Very low61.4Low185 Ų185145.1 Ų145.186%0.86473%0.728SS**  trans-61.791.9158.1-76.6-177166.800105.5Q109 T113Q109-E111 PolarHBondContact O-N 3.37Å; Q109-E111 VanDerWaalsContact O-N 3.12Å; E111-T113 PolarHBondContact O-N 3.49Å
112A50.2Low62.2Low78 Ų78138.6 Ų138.665%0.64571%0.709SS**  trans-55.3108.8164.700000105.4E110 T114E110-A112 PolarHBondContact O-N 3.4Å; A112-T114 PolarHBondContact O-N 2.86Å
113T55.1Low63.1Low141 Ų141133.1 Ų133.187%0.86569%0.686SS**  trans-69.884.7170.71.80000105.4E111 L115E111-T113 PolarHBondContact O-N 3.49Å; T113-L115 PolarHBondContact O-N 2.97Å
114T65.3Low64.2Low112 Ų112129.9 Ų129.969%0.68769%0.685SS**PPolyproline II helixtrans-65.7125.8171.650.90000106.8A112A112-T114 PolarHBondContact O-N 2.86Å
115L64.4Low65.5Low87 Ų87128.6 Ų128.646%0.45568%0.678SS.*PPolyproline II helixtrans-61.8149.1170.8-72.4165000108.2T113 L119 E120 L123T113-L115 PolarHBondContact O-N 2.97Å; L115-L119 HydrophobicContact CB-CB 4.5Å; L115-L119 HydrophobicContact CD2-CD2 4.49Å; L115-E120 HydrophobicContact CB-CG 3.63Å; L115-E120 HydrophobicContact CD1-CG 4.39Å; L115-L123 HydrophobicContact CD1-CD1 4.02Å
116D80.3Confident66.8Low114 Ų114121.5 Ų121.561%0.6165%0.652SS**PPolyproline II helixtrans-55.6140.1174.4-75.2-39.6000109.2E118 L119 E120D116-E118 PolarHBondContact O-N 2.92Å; D116-L119 HydrophobicContact CB-CD1 4.26Å; D116-L119 WeakPolarHBondContact O-CA 3.46Å; D116-L119 WeakPolarHBondContact O-CB 3.45Å; D116-L119 PolarHBondContact O-N 3.23Å; D116-E120 PolarHBondContact O-N 3.25Å; D116-E120 VanDerWaalsContact O-N 3.13Å
117P79.6Confident68.2Low103 Ų103116.3 Ų116.367%0.66963%0.633SS**Hα-helixtrans-54.5-33-174.5-27.433.7000113.8E120 E121P117-E120 PolarHBondContact O-N 3.47Å; P117-E121 WeakPolarHBondContact O-CB 3.31Å; P117-E121 PolarHBondContact O-N 3.48Å; P117-E121 VanDerWaalsContact O-N 3.08Å
118E76.9Confident69.9Low163 Ų163115.3 Ų115.376%0.76263%0.63SS**Hα-helixtrans-67.7-34.6175.6-70.7-177166.300112.8D116 A122D116-E118 PolarHBondContact O-N 2.92Å; E118-A122 VanDerWaalsContact O-CB 3.27Å; E118-A122 WeakPolarHBondContact O-CB 3.42Å; E118-A122 PolarHBondContact O-N 3.25Å
119L76.8Confident71.4Confident90 Ų90110.9 Ų110.947%0.47162%0.619SS.*Hα-helixtrans-73-39.1175.7-98.799.3000111.8L115 D116 A122 L123L115-L119 HydrophobicContact CB-CB 4.5Å; L115-L119 HydrophobicContact CD2-CD2 4.49Å; D116-L119 HydrophobicContact CB-CD1 4.26Å; D116-L119 WeakPolarHBondContact O-CA 3.46Å; D116-L119 WeakPolarHBondContact O-CB 3.45Å; D116-L119 PolarHBondContact O-N 3.23Å; L119-A122 PolarHBondContact O-N 3.44Å; L119-L123 WeakPolarHBondContact O-CB 3.33Å; L119-L123 VanDerWaalsContact O-CG 3.29Å; L119-L123 WeakPolarHBondContact O-CG 3.41Å; L119-L123 PolarHBondContact O-N 3.38Å
120E78.1Confident72.9Confident98 Ų98107.5 Ų107.546%0.45860%0.603SS.*Hα-helixtrans-63.7-42.7175.7-70.7-167.7160.600111.5L115 D116 P117 L123 C124L115-E120 HydrophobicContact CB-CG 3.63Å; L115-E120 HydrophobicContact CD1-CG 4.39Å; D116-E120 PolarHBondContact O-N 3.25Å; D116-E120 VanDerWaalsContact O-N 3.13Å; P117-E120 PolarHBondContact O-N 3.47Å; E120-L123 PolarHBondContact O-N 3.28Å; E120-C124 WeakPolarHBondContact O-CB 3.21Å; E120-C124 PolarHBondContact O-N 2.94Å; E120-C124 PolarHBondContact O-SG 3.31Å
121E81.6Confident74.2Confident144 Ų144102 Ų10267%0.67358%0.58SS**Hα-helixtrans-65.4-41.3176.3-171.8172.9-177.400111.6P117 C124 S125P117-E121 WeakPolarHBondContact O-CB 3.31Å; P117-E121 PolarHBondContact O-N 3.48Å; P117-E121 VanDerWaalsContact O-N 3.08Å; E121-C124 PolarHBondContact O-N 3.12Å; E121-S125 WeakPolarHBondContact O-CB 3.29Å; E121-S125 PolarHBondContact O-N 2.91Å; E121-S125 PolarHBondContact O-OG 2.69Å
122A80.3Confident75.4Confident54 Ų5497.2 Ų97.245%0.44657%0.565SS.*Hα-helixtrans-63.4-41.9175.400000112.5E118 L119 S125 A126E118-A122 VanDerWaalsContact O-CB 3.27Å; E118-A122 WeakPolarHBondContact O-CB 3.42Å; E118-A122 PolarHBondContact O-N 3.25Å; L119-A122 PolarHBondContact O-N 3.44Å; A122-S125 PolarHBondContact O-N 3.01Å; A122-S125 PolarHBondContact O-OG 3.35Å; A122-A126 WeakPolarHBondContact O-CB 3.5Å; A122-A126 PolarHBondContact O-N 2.94Å
123L79.1Confident76.7Confident76 Ų7698.5 Ų98.540%0.39856%0.561SS.*Hα-helixtrans-69.7-35.1176.9-72.5170.7000112.3L115 L119 E120 S125 L131L115-L123 HydrophobicContact CD1-CD1 4.02Å; L119-L123 WeakPolarHBondContact O-CB 3.33Å; L119-L123 VanDerWaalsContact O-CG 3.29Å; L119-L123 WeakPolarHBondContact O-CG 3.41Å; L119-L123 PolarHBondContact O-N 3.38Å; E120-L123 PolarHBondContact O-N 3.28Å; L123-S125 VanDerWaalsContact C-N 3.35Å; L123-L131 HydrophobicContact CD2-CD2 4.1Å
124C79.4Confident77.8Confident116 Ų11695.4 Ų95.478%0.78454%0.539SS*.Hα-helixtrans-73.2-24.9176.5-71.80000113.6E120 E121E120-C124 WeakPolarHBondContact O-CB 3.21Å; E120-C124 PolarHBondContact O-N 2.94Å; E120-C124 PolarHBondContact O-SG 3.31Å; E121-C124 PolarHBondContact O-N 3.12Å
125S81.7Confident78.3Confident90 Ų9090.9 Ų90.963%0.62951%0.513SS*.Hα-helixtrans-97.6-11.117956.10000114.2E121 A122 L123E121-S125 WeakPolarHBondContact O-CB 3.29Å; E121-S125 PolarHBondContact O-N 2.91Å; E121-S125 PolarHBondContact O-OG 2.69Å; A122-S125 PolarHBondContact O-N 3.01Å; A122-S125 PolarHBondContact O-OG 3.35Å; L123-S125 VanDerWaalsContact C-N 3.35Å
126A83.5Confident78.8Confident24 Ų2489.6 Ų89.620%0.19852%0.515CS..SBendtrans-65.4142.9176.800000112.1A122 E130 L131A122-A126 WeakPolarHBondContact O-CB 3.5Å; A122-A126 PolarHBondContact O-N 2.94Å; A126-E130 HydrophobicContact CB-CB 4.44Å; A126-L131 HydrophobicContact CB-CD2 4.18Å; A126-L131 HydrophobicContact CB-CG 4.04Å
127T84.3Confident78.6Confident70 Ų7090.9 Ų90.943%0.42952%0.52SS..  trans-76.6155.1174.560.20000111.6T129 E130 L131T127-T129 PolarHBondContact O-N 3.31Å; T127-T129 PolarHBondContact OG1-OG1 3.48Å; T127-E130 WeakPolarHBondContact CB-OE2 3.13Å; T127-E130 PolarHBondContact N-OE2 3.37Å; T127-E130 PolarHBondContact O-N 3.06Å; T127-E130 VanDerWaalsContact OG1-CD 3.22Å; T127-E130 WeakPolarHBondContact OG1-CG 3.3Å; T127-E130 PolarHBondContact OG1-OE2 3.04Å; T127-L131 PolarHBondContact O-N 2.89Å
128D76.5Confident78.4Confident135 Ų13592.1 Ų92.172%0.72252%0.521SS*.Hα-helixtrans-52.7-33.8178.4-67.1-20.5000112.8C132D128-C132 WeakPolarHBondContact O-CB 3.43Å; D128-C132 PolarHBondContact O-N 3.44Å; D128-C132 PolarHBondContact O-SG 2.57Å
129T78.1Confident78.2Confident96 Ų9686.4 Ų86.459%0.58951%0.506SS*.Hα-helixtrans-67.1-42.3175.738.20000113.1T127 L131 C132 D133T127-T129 PolarHBondContact O-N 3.31Å; T127-T129 PolarHBondContact OG1-OG1 3.48Å; T129-L131 VanDerWaalsContact C-N 3.35Å; T129-C132 PolarHBondContact O-N 2.94Å; T129-D133 PolarHBondContact O-N 3.45Å
130E80Confident77.9Confident103 Ų10384.9 Ų84.948%0.48150%0.5SS..Hα-helixtrans-70.4-35.5178.5-69163.8142.600111.1A126 T127 D133 L134A126-E130 HydrophobicContact CB-CB 4.44Å; T127-E130 WeakPolarHBondContact CB-OE2 3.13Å; T127-E130 PolarHBondContact N-OE2 3.37Å; T127-E130 PolarHBondContact O-N 3.06Å; T127-E130 VanDerWaalsContact OG1-CD 3.22Å; T127-E130 WeakPolarHBondContact OG1-CG 3.3Å; T127-E130 PolarHBondContact OG1-OE2 3.04Å; E130-D133 PolarHBondContact O-N 2.94Å; E130-L134 WeakPolarHBondContact O-CB 3.13Å; E130-L134 VanDerWaalsContact O-CG 3.31Å; E130-L134 WeakPolarHBondContact O-CG 3.47Å; E130-L134 PolarHBondContact O-N 2.74Å
131L79.9Confident77.2Confident64 Ų6485.1 Ų85.134%0.33550%0.501SS..Hα-helixtrans-65.8-39.7172.8-71.6170.5000111.9L123 A126 T127 T129 L134 A135L123-L131 HydrophobicContact CD2-CD2 4.1Å; A126-L131 HydrophobicContact CB-CD2 4.18Å; A126-L131 HydrophobicContact CB-CG 4.04Å; T127-L131 PolarHBondContact O-N 2.89Å; T129-L131 VanDerWaalsContact C-N 3.35Å; L131-L134 PolarHBondContact O-N 3.24Å; L131-A135 VanDerWaalsContact O-CB 3.28Å; L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 2.87Å
132C73.4Confident76.2Confident83 Ų8382 Ų8256%0.56149%0.492SS*.Hα-helixtrans-63.3-41.4173.5-77.30000112.4D128 T129 A135 A136D128-C132 WeakPolarHBondContact O-CB 3.43Å; D128-C132 PolarHBondContact O-N 3.44Å; D128-C132 PolarHBondContact O-SG 2.57Å; T129-C132 PolarHBondContact O-N 2.94Å; C132-A135 PolarHBondContact O-N 3.34Å; C132-A136 WeakPolarHBondContact O-CB 3.47Å; C132-A136 PolarHBondContact O-N 2.93Å
133D77.7Confident75.1Confident106 Ų10684.6 Ų84.657%0.56750%0.498SS*.Hα-helixtrans-67.1-42.2177.5-72.7-19.4000111.4T129 E130 A135 A136 I137T129-D133 PolarHBondContact O-N 3.45Å; E130-D133 PolarHBondContact O-N 2.94Å; D133-A135 PolarHBondContact O-N 3.32Å; D133-A136 WeakPolarHBondContact O-CB 3.48Å; D133-A136 PolarHBondContact O-N 3.31Å; D133-I137 VanDerWaalsContact O-CG1 3.26Å; D133-I137 WeakPolarHBondContact O-CG1 3.48Å; D133-I137 PolarHBondContact O-N 2.78Å
134L77Confident74.1Confident76 Ų7686 Ų8640%0.39851%0.509SS..Hα-helixtrans-61.4-42.8172.5-74.7170.5000111.9E130 L131 A136 I137 L138E130-L134 WeakPolarHBondContact O-CB 3.13Å; E130-L134 VanDerWaalsContact O-CG 3.31Å; E130-L134 WeakPolarHBondContact O-CG 3.47Å; E130-L134 PolarHBondContact O-N 2.74Å; L131-L134 PolarHBondContact O-N 3.24Å; L134-A136 VanDerWaalsContact C-N 3.28Å; L134-A136 PolarHBondContact O-N 3.46Å; L134-I137 PolarHBondContact O-N 3.39Å; L134-L138 WeakPolarHBondContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CG 3.2Å; L134-L138 PolarHBondContact O-N 3.31Å
135A75.8Confident72.8Confident17 Ų1785.8 Ų85.814%0.1450%0.504CS..Hα-helixtrans-65.7-31.5176.700000112.6L131 C132 D133 G139 V140 H141L131-A135 VanDerWaalsContact O-CB 3.28Å; L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 2.87Å; C132-A135 PolarHBondContact O-N 3.34Å; D133-A135 PolarHBondContact O-N 3.32Å; A135-G139 CarbonylContact O-C 3.59Å; A135-G139 PolarHBondContact O-N 2.93Å; A135-G139 VanDerWaalsContact O-N 3.1Å; A135-V140 HydrophobicContact CB-CG2 3.93Å; A135-V140 PolarHBondContact O-N 2.93Å; A135-H141 PolarHBondContact O-N 2.81Å
136A74.6Confident71.2Confident60 Ų6083.8 Ų83.850%0.49649%0.49SS..Hα-helixtrans-70.7-42.7172.900000111.6C132 D133 L134 G139C132-A136 WeakPolarHBondContact O-CB 3.47Å; C132-A136 PolarHBondContact O-N 2.93Å; D133-A136 WeakPolarHBondContact O-CB 3.48Å; D133-A136 PolarHBondContact O-N 3.31Å; L134-A136 VanDerWaalsContact C-N 3.28Å; L134-A136 PolarHBondContact O-N 3.46Å; A136-G139 PolarHBondContact O-N 2.91Å
137I76.5Confident69.6Low140 Ų14089.7 Ų89.772%0.71852%0.518SS*.Hα-helixtrans-65.5-41.8177.5-67.7164.4000111.4D133 L134 G139D133-I137 VanDerWaalsContact O-CG1 3.26Å; D133-I137 WeakPolarHBondContact O-CG1 3.48Å; D133-I137 PolarHBondContact O-N 2.78Å; L134-I137 PolarHBondContact O-N 3.39Å; I137-G139 VanDerWaalsContact C-N 3.27Å; I137-G139 PolarHBondContact O-N 2.92Å
138L76.4Confident68Low129 Ų12994 Ų9468%0.67553%0.534SS*.THydrogen-bonded Turntrans-80-6.9178.4-69168000113.2L134 V140L134-L138 WeakPolarHBondContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CG 3.2Å; L134-L138 PolarHBondContact O-N 3.31Å; L138-V140 VanDerWaalsContact C-N 3.27Å; L138-V140 HydrophobicContact CB-CG1 4.41Å; L138-V140 HydrophobicContact CB-CG2 4.11Å; L138-V140 PolarHBondContact O-N 2.93Å
139G71Confident66.6Low44 Ų4490.4 Ų90.445%0.45452%0.517SS..THydrogen-bonded Turntrans71.714.4179.300000115.1A135 A136 I137A135-G139 CarbonylContact O-C 3.59Å; A135-G139 PolarHBondContact O-N 2.93Å; A135-G139 VanDerWaalsContact O-N 3.1Å; A136-G139 PolarHBondContact O-N 2.91Å; I137-G139 VanDerWaalsContact C-N 3.27Å; I137-G139 PolarHBondContact O-N 2.92Å
140V71.9Confident65Low57 Ų5794.6 Ų94.635%0.34552%0.523SS..  trans-95.70.3-174.6-63.80000114.3A135 L138 T142 L143A135-V140 HydrophobicContact CB-CG2 3.93Å; A135-V140 PolarHBondContact O-N 2.93Å; L138-V140 VanDerWaalsContact C-N 3.27Å; L138-V140 HydrophobicContact CB-CG1 4.41Å; L138-V140 HydrophobicContact CB-CG2 4.11Å; L138-V140 PolarHBondContact O-N 2.93Å; V140-T142 PolarHBondContact O-N 3.06Å; V140-T142 VanDerWaalsContact O-N 3.07Å; V140-L143 HydrophobicContact CB-CD1 4.27Å; V140-L143 HydrophobicContact CG1-CD1 4.29Å; V140-L143 WeakPolarHBondContact O-CB 3.47Å; V140-L143 PolarHBondContact O-N 2.85Å
141H62.5Low63.3Low104 Ų10496.5 Ų96.548%0.48154%0.537SS..Hα-helixtrans-51.4-33.5-178.467.1-73.3000114.4A135 L143 V144 T145A135-H141 PolarHBondContact O-N 2.81Å; H141-L143 VanDerWaalsContact C-N 3.32Å; H141-L143 PolarHBondContact O-N 2.91Å; H141-V144 PolarHBondContact O-N 3.42Å; H141-T145 PolarHBondContact O-N 2.89Å; H141-T145 PolarHBondContact O-OG1 2.98Å
142T59.9Low61.9Low79 Ų7996.6 Ų96.649%0.48555%0.553SS.*Hα-helixtrans-68.4-25.8177.143.50000114V140 V144 S146V140-T142 PolarHBondContact O-N 3.06Å; V140-T142 VanDerWaalsContact O-N 3.07Å; T142-V144 VanDerWaalsContact C-N 3.32Å; T142-S146 PolarHBondContact O-OG 2.92Å
143L58.4Low60.7Low108 Ų10898.3 Ų98.357%0.56556%0.561SS**Hα-helixtrans-74.4-27.5177.7-63.1175.3000111.2V140 H141 T149V140-L143 HydrophobicContact CB-CD1 4.27Å; V140-L143 HydrophobicContact CG1-CD1 4.29Å; V140-L143 WeakPolarHBondContact O-CB 3.47Å; V140-L143 PolarHBondContact O-N 2.85Å; H141-L143 VanDerWaalsContact C-N 3.32Å; H141-L143 PolarHBondContact O-N 2.91Å; L143-T149 VanDerWaalsContact O-CB 3.3Å; L143-T149 WeakPolarHBondContact O-CB 3.31Å; L143-T149 WeakPolarHBondContact O-CG2 3.14Å; L143-T149 PolarHBondContact O-OG1 3.46Å
144V56.8Low58.9Low105 Ų10596.4 Ų96.464%0.63657%0.567SS**Hα-helixtrans-88.4-30.4-177.1-167.30000111.9H141 T142 S146H141-V144 PolarHBondContact O-N 3.42Å; T142-V144 VanDerWaalsContact C-N 3.32Å; V144-S146 VanDerWaalsContact C-N 3.3Å
145T51.9Low57.1Low112 Ų11297.4 Ų97.469%0.68758%0.58SS**SBendtrans-82.8-5177.46.40000114.3H141 N147H141-T145 PolarHBondContact O-N 2.89Å; H141-T145 PolarHBondContact O-OG1 2.98Å; T145-N147 PolarHBondContact O-N 2.87Å
146S49.8Very low55.6Low48 Ų48106.9 Ų106.934%0.33662%0.618SS.*  trans-73.5116.4175.2-63.60000109.2T142 V144 Q148 T149T142-S146 PolarHBondContact O-OG 2.92Å; V144-S146 VanDerWaalsContact C-N 3.3Å; S146-Q148 PolarHBondContact O-N 2.89Å; S146-T149 PolarHBondContact O-N 3.16Å; S146-T149 PolarHBondContact O-OG1 2.8Å
147N49.7Very low53.8Low147 Ų147112.6 Ų112.679%0.78663%0.634SS**Hα-helixtrans-53.7-16.1175-79.8-8.6000114T145T145-N147 PolarHBondContact O-N 2.87Å
148Q50.4Low51.9Low160 Ų160109.2 Ų109.275%0.74864%0.635SS**Hα-helixtrans-74.1-28.6174.9-66.9-179.4-1800113.9S146S146-Q148 PolarHBondContact O-N 2.89Å
149T46.9Very low50.2Low60 Ų60114.4 Ų114.437%0.36865%0.647SS.*Hα-helixtrans-87.6-25.8179.950.20000112.8L143 S146 D151 G152L143-T149 VanDerWaalsContact O-CB 3.3Å; L143-T149 WeakPolarHBondContact O-CB 3.31Å; L143-T149 WeakPolarHBondContact O-CG2 3.14Å; L143-T149 PolarHBondContact O-OG1 3.46Å; S146-T149 PolarHBondContact O-N 3.16Å; S146-T149 PolarHBondContact O-OG1 2.8Å; T149-D151 VanDerWaalsContact C-N 3.32Å; T149-D151 PolarHBondContact O-N 3.15Å; T149-G152 PolarHBondContact O-N 3.44Å
150Y44.1Very low48.7Very low184 Ų184119.1 Ų119.172%0.72266%0.661SS**Hα-helixtrans-66.5-33.3176.6-162.8-99.3000112.5G152 T153Y150-G152 VanDerWaalsContact C-N 3.26Å; Y150-G152 PolarHBondContact O-N 2.98Å; Y150-T153 PolarHBondContact O-OG1 3.2Å
151D45.4Very low47.3Very low144 Ų144121.8 Ų121.877%0.7768%0.683SS**Hα-helixtrans-75.3-15-179-133.713.3000113.1T149T149-D151 VanDerWaalsContact C-N 3.32Å; T149-D151 PolarHBondContact O-N 3.15Å
152G50.3Low46.3Very low65 Ų65124.7 Ų124.767%0.6770%0.696SS**Hα-helixtrans-87.5-16.7178.200000115T149 Y150T149-G152 PolarHBondContact O-N 3.44Å; Y150-G152 VanDerWaalsContact C-N 3.26Å; Y150-G152 PolarHBondContact O-N 2.98Å
153T46.6Very low45.6Very low119 Ų119130.8 Ų130.873%0.7371%0.712SS**Hα-helixtrans-107.2-7.6-175.356.70000113.8Y150Y150-T153 PolarHBondContact O-OG1 3.2Å
154G40.3Very low45.2Very low67 Ų67131.2 Ų131.269%0.69172%0.715SS**SBendtrans-80.6-9.8-17900000116.2
155S38.8Very low44.9Very low97 Ų97132.3 Ų132.368%0.67872%0.717SS**  trans-108102.7-175-62.30000111.5E157S155-E157 PolarHBondContact O-N 3.36Å
156K44.8Very low45.1Very low216 Ų216132.5 Ų132.594%0.93972%0.718SS**  trans-71.535.8173.4-84.7-169.9174.4-178.90114.2
157E37.1Very low45.3Very low179 Ų179135.8 Ų135.884%0.83674%0.736SS**SBendtrans-134.3115.3176.4-71.4-168.2166.400111.8S155S155-E157 PolarHBondContact O-N 3.36Å
158G36.7Very low46Very low70 Ų70138 Ų13872%0.72274%0.738SS**  trans69.898.3148.400000117.1N160G158-N160 VanDerWaalsContact C-N 3.3Å; G158-N160 PolarHBondContact O-N 3Å
159Y40.2Very low46.7Very low237 Ų237133.4 Ų133.493%0.92973%0.734SS**SBendtrans-57.986.3160.3-74.4-93.9000111.2
160N39.3Very low48Very low143 Ų143139.8 Ų139.877%0.76576%0.76SS**  trans-168.641.8163.7-102.2-42.9000112G158G158-N160 VanDerWaalsContact C-N 3.3Å; G158-N160 PolarHBondContact O-N 3Å
161S42.6Very low49.6Very low113 Ų113140 Ų14079%0.7976%0.764SS**  trans-98.3100.3162.6-840000109Y163S161-Y163 PolarHBondContact O-N 3.17Å
162E42.5Very low51Low165 Ų165140.4 Ų140.477%0.77176%0.763SS**  trans-39.3115.6157-163171.8-149.100108.7N164E162-N164 PolarHBondContact O-N 2.93Å
163Y45.4Very low52.4Low208 Ų208143.5 Ų143.582%0.81677%0.765SS**  trans-63.878.8177.2-97.9-89.6000109.8S161 D165S161-Y163 PolarHBondContact O-N 3.17Å; Y163-D165 VanDerWaalsContact C-N 3.3Å; Y163-D165 WeakPolarHBondContact CD1-OD2 3.3Å; Y163-D165 PolarHBondContact O-N 3.36Å
164N48.8Very low54Low116 Ų116142 Ų14262%0.6276%0.757SS**  trans-96.563.3164.9-80.7-37.9000108.1E162 V166E162-N164 PolarHBondContact O-N 2.93Å; N164-V166 PolarHBondContact O-N 3.34Å
165D52.3Low55.9Low129 Ų129144.2 Ų144.269%0.6976%0.757SS**  trans-71.870.5166.6-86.3-28.9000109.2Y163 V167Y163-D165 VanDerWaalsContact C-N 3.3Å; Y163-D165 WeakPolarHBondContact CD1-OD2 3.3Å; Y163-D165 PolarHBondContact O-N 3.36Å; D165-V167 PolarHBondContact O-N 2.85Å
166V54.3Low57.8Low115 Ų115147.7 Ų147.770%0.69776%0.76SS**  trans-67.7104.1161.6-177.80000105.6N164 K168N164-V166 PolarHBondContact O-N 3.34Å; V166-K168 PolarHBondContact O-N 3Å
167V55.1Low59.5Low117 Ų117144.9 Ų144.971%0.70976%0.755SS**  trans-49.6101.2171.3179.20000107.9D165 G169D165-V167 PolarHBondContact O-N 2.85Å; V167-G169 PolarHBondContact O-N 3.45Å
168K64.3Low61.5Low194 Ų194144.5 Ų144.584%0.84375%0.753SS**  trans-72.5112.8174.2-70.7178.8-175.1167.20106V166 E170V166-K168 PolarHBondContact O-N 3Å; K168-E170 PolarHBondContact O-N 2.93Å
169G64Low63.8Low64 Ų64146.6 Ų146.666%0.6675%0.754SS**  trans-50.7136.4172.500000110V167 K171V167-G169 PolarHBondContact O-N 3.45Å; G169-K171 PolarHBondContact O-N 3.3Å
170E75.6Confident66Low194 Ų194141 Ų14191%0.90775%0.747SS**  trans-55.9126.8178-166.4171.7-175.300108.9K168 M172K168-E170 PolarHBondContact O-N 2.93Å; E170-M172 PolarHBondContact O-N 3.41Å
171K77.3Confident68.5Low188 Ų188135.9 Ų135.982%0.81772%0.72SS**  trans-66.2110.7177.4-71.7-178.4-179.7177.40107.1G169 N173G169-K171 PolarHBondContact O-N 3.3Å; K171-N173 PolarHBondContact O-N 3.25Å
172M74.8Confident70.8Confident152 Ų152136.7 Ų136.775%0.74972%0.722SS**  trans-56113.8173.9-175.965-174.300108.4E170 V175E170-M172 PolarHBondContact O-N 3.41Å; M172-V175 HydrophobicContact CE-CG2 3.83Å
173N79.9Confident73.2Confident131 Ų131130.9 Ų130.970%0.70170%0.698SS**  trans-63.3124.9169.7-73.7-29.9000107K171 V175K171-N173 PolarHBondContact O-N 3.25Å; N173-V175 PolarHBondContact O-N 3.23Å; N173-V175 VanDerWaalsContact O-N 3.11Å
174P80.8Confident75.5Confident86 Ų86125.2 Ų125.256%0.55868%0.682SS**  trans-57.8122.8177.523.4-31.8000108.6F176P174-F176 HydrophobicContact CB-CE2 4.38Å; P174-F176 HydrophobicContact CB-CZ 4.2Å; P174-F176 HydrophobicContact CG-CE2 3.84Å; P174-F176 HydrophobicContact CG-CZ 3.72Å; P174-F176 WeakPolarHBondContact O-CD2 3.44Å; P174-F176 PolarHBondContact O-N 2.87Å
175V79.3Confident77.7Confident115 Ų115121 Ų12170%0.69766%0.661SS**  trans-73.8108.9172.9-178.40000106.4M172 N173M172-V175 HydrophobicContact CE-CG2 3.83Å; N173-V175 PolarHBondContact O-N 3.23Å; N173-V175 VanDerWaalsContact O-N 3.11Å
176F78.5Confident79.7Confident169 Ų169119.6 Ų119.674%0.74165%0.65SS**  trans-82.5125.8170.6-60.2-78000108.2P174 E178P174-F176 HydrophobicContact CB-CE2 4.38Å; P174-F176 HydrophobicContact CB-CZ 4.2Å; P174-F176 HydrophobicContact CG-CE2 3.84Å; P174-F176 HydrophobicContact CG-CZ 3.72Å; P174-F176 WeakPolarHBondContact O-CD2 3.44Å; P174-F176 PolarHBondContact O-N 2.87Å; F176-E178 PolarHBondContact O-N 3.03Å; F176-E178 VanDerWaalsContact O-N 3.14Å
177D80.2Confident81.6Confident158 Ų158119.3 Ų119.385%0.84564%0.641SS**  trans-65.5113.3171.6-75.4-30.7000108.8
178E79.3Confident83.6Confident170 Ų170114.4 Ų114.479%0.79461%0.611SS**PPolyproline II helixtrans-63.6141.3171.2-68.7-173.517200109.8F176F176-E178 PolarHBondContact O-N 3.03Å; F176-E178 VanDerWaalsContact O-N 3.14Å
179P85.1Confident85.1Confident114 Ų114105.3 Ų105.374%0.7457%0.571SS**PPolyproline II helixtrans-60.5148.1176.626.4-33.9000110.5
180P87.6Confident86.7Confident119 Ų119105.8 Ų105.877%0.77356%0.557SS**PPolyproline II helixtrans-59.3148.717726.5-34.2000110.7P182P180-P182 WeakPolarHBondContact O-CD 3.03Å
181N90.6Very high87.7Confident37 Ų37100.4 Ų100.420%0.19853%0.528CS..PPolyproline II helixtrans-55.7122.2179.2-179.2-16.1000110.2T183 N203 N205 I207N181-T183 PolarHBondContact O-N 3.13Å; N181-T183 WeakPolarHBondContact OD1-CB 3.19Å; N181-T183 PolarHBondContact OD1-N 3.47Å; N181-T183 PolarHBondContact OD1-OG1 3.14Å; N181-N203 PolarHBondContact ND2-O 3.46Å; N181-N205 VanDerWaalsContact CB-O 3.29Å; N181-N205 WeakPolarHBondContact CB-O 3.46Å; N181-N205 PolarHBondContact ND2-N 3.48Å; N181-N205 PolarHBondContact ND2-O 3.43Å; N181-I207 HydrophobicContact CB-CD1 4.39Å; N181-I207 HydrophobicContact CB-CG1 3.85Å
182P91.2Very high88.6Confident129 Ų12991.5 Ų91.584%0.83849%0.49SS*.  trans-77.3-2.8-174.732.2-37.3000113.8P180 N184P180-P182 WeakPolarHBondContact O-CD 3.03Å; P182-N184 PolarHBondContact O-N 2.93Å
183T93.1Very high89.6Confident43 Ų4389 Ų8926%0.26447%0.474SS..  trans-67.4123.5-172.3-56.80000111.9N181 V185 T188 N203 L204N181-T183 PolarHBondContact O-N 3.13Å; N181-T183 WeakPolarHBondContact OD1-CB 3.19Å; N181-T183 PolarHBondContact OD1-N 3.47Å; N181-T183 PolarHBondContact OD1-OG1 3.14Å; T183-V185 PolarHBondContact O-N 2.98Å; T183-T188 WeakPolarHBondContact CG2-OG1 3.32Å; T183-N203 WeakPolarHBondContact CB-O 3.48Å; T183-N203 PolarHBondContact OG1-O 3.16Å; T183-N203 VanDerWaalsContact OG1-O 3.12Å; T183-L204 HydrophobicContact CG2-CD2 3.96Å
184N94.5Very high90.4Very high89 Ų8988.7 Ų88.748%0.47647%0.473SS..  trans-79.6115.3172.8-173-43.6000110.4P182 E186 E187 T188P182-N184 PolarHBondContact O-N 2.93Å; N184-E186 PolarHBondContact OD1-N 3.26Å; N184-E186 VanDerWaalsContact OD1-N 3.11Å; N184-E187 HydrophobicContact CB-CB 4.04Å; N184-E187 PolarHBondContact OD1-N 2.97Å; N184-E187 VanDerWaalsContact OD1-N 3.13Å; N184-T188 VanDerWaalsContact O-CB 3.27Å; N184-T188 WeakPolarHBondContact O-CB 3.09Å; N184-T188 PolarHBondContact O-N 2.95Å; N184-T188 PolarHBondContact O-OG1 3.19Å
185V94.3Very high91.1Very high29 Ų2987.2 Ų87.218%0.17646%0.46CS..Hα-helixtrans-63.6-46.9-175.1-177.10000112T183 L189 L204 I207 I210 T214 F218T183-V185 PolarHBondContact O-N 2.98Å; V185-L189 WeakPolarHBondContact O-CB 3.23Å; V185-L189 PolarHBondContact O-N 3.1Å; V185-L204 HydrophobicContact CG2-CD2 4.48Å; V185-I207 HydrophobicContact CG2-CD1 4.05Å; V185-I207 HydrophobicContact CG2-CG2 4.08Å; V185-I210 HydrophobicContact CG1-CD1 4.48Å; V185-I210 HydrophobicContact CG1-CG2 4.2Å; V185-I210 HydrophobicContact CG2-CD1 4.06Å; V185-I210 HydrophobicContact CG2-CG1 4.24Å; V185-T214 HydrophobicContact CG1-CG2 3.95Å; V185-F218 HydrophobicContact CG1-CE2 3.54Å; V185-F218 HydrophobicContact CG1-CZ 3.87Å; V185-F218 WeakPolarHBondContact O-CZ 3.38Å
186E93.9Very high91.9Very high98 Ų9883.9 Ų83.946%0.45844%0.438SS..Hα-helixtrans-70.5-45.5-175.2-17557.9-146.400111.2N184 T188 L189 Q190N184-E186 PolarHBondContact OD1-N 3.26Å; N184-E186 VanDerWaalsContact OD1-N 3.11Å; E186-T188 VanDerWaalsContact C-N 3.31Å; E186-T188 PolarHBondContact O-N 3.33Å; E186-L189 WeakPolarHBondContact O-CB 3.35Å; E186-L189 PolarHBondContact O-N 2.76Å; E186-Q190 WeakPolarHBondContact O-CG 3.31Å; E186-Q190 PolarHBondContact O-N 3.49Å; E186-Q190 PolarHBondContact OE1-NE2 2.9Å
187E95.3Very high92.7Very high110 Ų11077.7 Ų77.751%0.51442%0.423SS..Hα-helixtrans-59.9-44.5177.1-171.7-170.7156.400111.1N184 L189 Q190 R191N184-E187 HydrophobicContact CB-CB 4.04Å; N184-E187 PolarHBondContact OD1-N 2.97Å; N184-E187 VanDerWaalsContact OD1-N 3.13Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.11Å; E187-Q190 PolarHBondContact O-N 3.34Å; E187-R191 WeakPolarHBondContact O-CG 3.4Å; E187-R191 PolarHBondContact O-N 2.93Å
188T96.3Very high93.5Very high14 Ų1473.9 Ų73.99%0.08641%0.408CS..Hα-helixtrans-62.9-41.6178.3-55.10000111.2T183 N184 E186 Q190 R191 I192 L199 V202 F218T183-T188 WeakPolarHBondContact CG2-OG1 3.32Å; N184-T188 VanDerWaalsContact O-CB 3.27Å; N184-T188 WeakPolarHBondContact O-CB 3.09Å; N184-T188 PolarHBondContact O-N 2.95Å; N184-T188 PolarHBondContact O-OG1 3.19Å; E186-T188 VanDerWaalsContact C-N 3.31Å; E186-T188 PolarHBondContact O-N 3.33Å; T188-Q190 VanDerWaalsContact C-N 3.34Å; T188-Q190 PolarHBondContact O-N 3.43Å; T188-R191 PolarHBondContact O-N 2.81Å; T188-I192 HydrophobicContact CG2-CD1 4.22Å; T188-I192 VanDerWaalsContact O-CG1 3.31Å; T188-I192 WeakPolarHBondContact O-CG1 3.35Å; T188-I192 PolarHBondContact O-N 3.31Å; T188-L199 HydrophobicContact CG2-CD2 4.24Å; T188-V202 HydrophobicContact CG2-CG1 3.88Å; T188-V202 HydrophobicContact CG2-CG2 4.15Å; T188-F218 HydrophobicContact CG2-CE1 4.25Å
189L96.4Very high94.3Very high2 Ų266.6 Ų66.61%0.0137%0.374CS..Hα-helixtrans-60.4-43.4175.6-179.658.9000111.7V185 E186 E187 I192 K193 T214 D217 F218 A221V185-L189 WeakPolarHBondContact O-CB 3.23Å; V185-L189 PolarHBondContact O-N 3.1Å; E186-L189 WeakPolarHBondContact O-CB 3.35Å; E186-L189 PolarHBondContact O-N 2.76Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.11Å; L189-I192 PolarHBondContact O-N 2.98Å; L189-K193 HydrophobicContact CG-CD 4.35Å; L189-K193 WeakPolarHBondContact O-CG 3.49Å; L189-K193 PolarHBondContact O-N 2.92Å; L189-T214 HydrophobicContact CD2-CG2 4.19Å; L189-D217 HydrophobicContact CD1-CB 4.27Å; L189-D217 HydrophobicContact CD2-CB 4.05Å; L189-F218 HydrophobicContact CB-CE1 3.9Å; L189-F218 HydrophobicContact CB-CE2 4.13Å; L189-F218 HydrophobicContact CB-CZ 3.68Å; L189-F218 HydrophobicContact CD1-CB 4.45Å; L189-F218 HydrophobicContact CD1-CD1 3.87Å; L189-F218 HydrophobicContact CD1-CD2 4.17Å; L189-F218 HydrophobicContact CD1-CE1 4.12Å; L189-F218 HydrophobicContact CD1-CE2 4.38Å; L189-F218 HydrophobicContact CD1-CG 3.9Å; L189-F218 HydrophobicContact CD1-CZ 4.37Å; L189-A221 HydrophobicContact CD1-CB 4.23Å
190Q96.5Very high94.8Very high75 Ų7567.4 Ų67.435%0.3537%0.367SS..Hα-helixtrans-64.2-40.6176.7-64.8-58.9-27.100111.9E186 E187 T188 I192 K193 N194E186-Q190 WeakPolarHBondContact O-CG 3.31Å; E186-Q190 PolarHBondContact O-N 3.49Å; E186-Q190 PolarHBondContact OE1-NE2 2.9Å; E187-Q190 PolarHBondContact O-N 3.34Å; T188-Q190 VanDerWaalsContact C-N 3.34Å; T188-Q190 PolarHBondContact O-N 3.43Å; Q190-I192 VanDerWaalsContact C-N 3.34Å; Q190-I192 PolarHBondContact O-N 3.46Å; Q190-K193 PolarHBondContact O-N 2.96Å; Q190-N194 WeakPolarHBondContact O-CB 3.43Å; Q190-N194 VanDerWaalsContact O-CG 3.22Å; Q190-N194 PolarHBondContact O-N 3.16Å; Q190-N194 PolarHBondContact O-ND2 2.82Å
191R96.8Very high95.3Very high80 Ų8067.1 Ų67.130%0.30236%0.355SS..Hα-helixtrans-63.4-38.6175.9-69.917869.3-175.90.8112.5E187 T188 N194 N195 D196 S198 L199E187-R191 WeakPolarHBondContact O-CG 3.4Å; E187-R191 PolarHBondContact O-N 2.93Å; T188-R191 PolarHBondContact O-N 2.81Å; R191-N194 PolarHBondContact O-N 2.85Å; R191-N195 PolarHBondContact O-N 3.2Å; R191-D196 HydrophobicContact CB-CB 4.2Å; R191-D196 IonicContact CZ-OD2 3.21Å; R191-D196 IonicContact NE-OD2 2.79Å; R191-D196 PolarHBondContact NE-OD2 2.79Å; R191-D196 IonicContact NH2-OD2 2.77Å; R191-D196 PolarHBondContact NH2-OD2 2.93Å; R191-D196 WeakPolarHBondContact O-CB 3.22Å; R191-D196 PolarHBondContact O-N 2.96Å; R191-S198 PolarHBondContact NH2-OG 3.28Å; R191-L199 HydrophobicContact CB-CD2 3.92Å
192I96.6Very high95.6Very high2 Ų265.6 Ų65.61%0.0135%0.347CS..Hα-helixtrans-65.4-45.4174.2-65.6167.8000110.6T188 L189 Q190 N194 N195 L199 V202 F218 A221 M222 N225 V228 F231T188-I192 HydrophobicContact CG2-CD1 4.22Å; T188-I192 VanDerWaalsContact O-CG1 3.31Å; T188-I192 WeakPolarHBondContact O-CG1 3.35Å; T188-I192 PolarHBondContact O-N 3.31Å; L189-I192 PolarHBondContact O-N 2.98Å; Q190-I192 VanDerWaalsContact C-N 3.34Å; Q190-I192 PolarHBondContact O-N 3.46Å; I192-N194 VanDerWaalsContact C-N 3.28Å; I192-N194 PolarHBondContact O-N 3.49Å; I192-N195 PolarHBondContact O-N 3.48Å; I192-L199 HydrophobicContact CD1-CD2 4.49Å; I192-L199 HydrophobicContact CG1-CD2 3.59Å; I192-V202 HydrophobicContact CD1-CG1 4.37Å; I192-V202 HydrophobicContact CD1-CG2 3.88Å; I192-V202 HydrophobicContact CG1-CG2 4.3Å; I192-F218 HydrophobicContact CD1-CD1 3.45Å; I192-F218 VanDerWaalsContact CD1-CD1 3.45Å; I192-F218 HydrophobicContact CD1-CE1 3.52Å; I192-A221 HydrophobicContact CG2-CB 3.74Å; I192-M222 HydrophobicContact CD1-SD 4.22Å; I192-M222 HydrophobicContact CG1-SD 4.46Å; I192-M222 HydrophobicContact CG2-CG 3.97Å; I192-M222 HydrophobicContact CG2-SD 3.7Å; I192-N225 HydrophobicContact CG2-CB 4.27Å; I192-N225 PolarHBondContact O-ND2 3.32Å; I192-N225 VanDerWaalsContact O-ND2 3.14Å; I192-V228 HydrophobicContact CG1-CG2 4.32Å; I192-F231 HydrophobicContact CD1-CE2 4.46Å
193K95.9Very high95.8Very high99 Ų9963 Ų6343%0.4333%0.326SS..Hα-helixtrans-59.6-37.9176.5-75174.1178.7172.50112.3L189 Q190 N195 A221L189-K193 HydrophobicContact CG-CD 4.35Å; L189-K193 WeakPolarHBondContact O-CG 3.49Å; L189-K193 PolarHBondContact O-N 2.92Å; Q190-K193 PolarHBondContact O-N 2.96Å; K193-N195 PolarHBondContact O-N 3.41Å; K193-A221 HydrophobicContact CG-CB 3.71Å
194N96.6Very high96Very high125 Ų12561 Ų6167%0.66831%0.313SS*.THydrogen-bonded Turntrans-78.90.2176.9-67.1-21.8000113.6Q190 R191 I192 D196Q190-N194 WeakPolarHBondContact O-CB 3.43Å; Q190-N194 VanDerWaalsContact O-CG 3.22Å; Q190-N194 PolarHBondContact O-N 3.16Å; Q190-N194 PolarHBondContact O-ND2 2.82Å; R191-N194 PolarHBondContact O-N 2.85Å; I192-N194 VanDerWaalsContact C-N 3.28Å; I192-N194 PolarHBondContact O-N 3.49Å; N194-D196 VanDerWaalsContact C-N 3.31Å; N194-D196 PolarHBondContact O-N 2.99Å
195N95.7Very high96Very high54 Ų5458.3 Ų58.329%0.28930%0.299SS..THydrogen-bonded Turntrans50.749.1-176.4-163.239.1000112.6R191 I192 K193 G197 N225 T226 H227R191-N195 PolarHBondContact O-N 3.2Å; I192-N195 PolarHBondContact O-N 3.48Å; K193-N195 PolarHBondContact O-N 3.41Å; N195-G197 PolarHBondContact O-N 3.25Å; N195-N225 WeakPolarHBondContact OD1-CA 3.46Å; N195-N225 PolarHBondContact OD1-ND2 3.5Å; N195-T226 PolarHBondContact ND2-OG1 3.48Å; N195-T226 PolarHBondContact OD1-N 3.44Å; N195-T226 PolarHBondContact OD1-OG1 2.7Å; N195-H227 PolarHBondContact O-CD2 3.25Å; N195-H227 VanDerWaalsContact O-CD2 3.23Å; N195-H227 PolarHBondContact OD1-CD2 3.29Å; N195-H227 VanDerWaalsContact OD1-CD2 3.26Å
196D96.1Very high95.9Very high45 Ų4561.7 Ų61.724%0.24132%0.316CS..  trans-62.2117-179.4178.7-0.2000111.8R191 N194 S198 L199R191-D196 HydrophobicContact CB-CB 4.2Å; R191-D196 IonicContact CZ-OD2 3.21Å; R191-D196 IonicContact NE-OD2 2.79Å; R191-D196 PolarHBondContact NE-OD2 2.79Å; R191-D196 IonicContact NH2-OD2 2.77Å; R191-D196 PolarHBondContact NH2-OD2 2.93Å; R191-D196 WeakPolarHBondContact O-CB 3.22Å; R191-D196 PolarHBondContact O-N 2.96Å; N194-D196 VanDerWaalsContact C-N 3.31Å; N194-D196 PolarHBondContact O-N 2.99Å; D196-S198 PolarHBondContact O-N 3.14Å; D196-S198 WeakPolarHBondContact OD1-CB 3.42Å; D196-S198 PolarHBondContact OD1-N 3.45Å; D196-S198 PolarHBondContact OD1-OG 3.45Å; D196-S198 PolarHBondContact OD2-OG 3.26Å; D196-L199 HydrophobicContact CB-CB 4.32Å; D196-L199 PolarHBondContact O-N 3.05Å; D196-L199 VanDerWaalsContact O-N 3.14Å
197G94.6Very high95.8Very high40 Ų4058.3 Ų58.341%0.41230%0.301SS..THydrogen-bonded Turntrans-63.9-18.4179.700000115.4N195N195-G197 PolarHBondContact O-N 3.25Å
198S96.4Very high95.2Very high77 Ų7760.5 Ų60.554%0.53831%0.309SS..THydrogen-bonded Turntrans-81.7-21.8176.470.30000113R191 D196 K200R191-S198 PolarHBondContact NH2-OG 3.28Å; D196-S198 PolarHBondContact O-N 3.14Å; D196-S198 WeakPolarHBondContact OD1-CB 3.42Å; D196-S198 PolarHBondContact OD1-N 3.45Å; D196-S198 PolarHBondContact OD1-OG 3.45Å; D196-S198 PolarHBondContact OD2-OG 3.26Å; S198-K200 PolarHBondContact O-N 3.34Å
199L96.1Very high94.6Very high17 Ų1766 Ų669%0.08934%0.338CS..  trans-86.697.4-175.8-172.766000110.9T188 R191 I192 D196 V202 H227 V228T188-L199 HydrophobicContact CG2-CD2 4.24Å; R191-L199 HydrophobicContact CB-CD2 3.92Å; I192-L199 HydrophobicContact CD1-CD2 4.49Å; I192-L199 HydrophobicContact CG1-CD2 3.59Å; D196-L199 HydrophobicContact CB-CB 4.32Å; D196-L199 PolarHBondContact O-N 3.05Å; D196-L199 VanDerWaalsContact O-N 3.14Å; L199-V202 HydrophobicContact CD1-CG2 4.28Å; L199-V202 HydrophobicContact CD2-CG2 3.97Å; L199-V202 HydrophobicContact CG-CG2 4.08Å; L199-H227 CarbonylContact O-C 3.53Å; L199-V228 HydrophobicContact CD2-CG2 4.26Å; L199-V228 HydrophobicContact CG-CG2 4.16Å; L199-V228 WeakPolarHBondContact O-CG2 3.45Å
200K96.9Very high94.4Very high132 Ų13266.6 Ų66.657%0.57434%0.341SS*.  trans-99.2-27.7-179.8-64-177.1-179.3178.40113.9S198 T229 K230S198-K200 PolarHBondContact O-N 3.34Å; K200-T229 PolarHBondContact O-N 3.14Å; K200-T229 PolarHBondContact O-OG1 3.36Å; K200-T229 VanDerWaalsContact O-OG1 3.05Å; K200-K230 PolarHBondContact O-N 2.91Å
201E96.9Very high94.3Very high113 Ų11366.4 Ų66.453%0.52835%0.346SS..EExtended strand (participates in β ladder)trans-133.6131-174-56.1-168.5169.200109.4K230E201-K230 WeakPolarHBondContact CA-O 3.41Å; E201-K230 HydrophobicContact CB-CB 4.34Å; E201-K230 HydrophobicContact CG-CB 4.09Å; E201-K230 HydrophobicContact CG-CD 4.1Å; E201-K230 HydrophobicContact CG-CG 4.2Å; E201-K230 WeakPolarHBondContact OE1-CD 3.32Å; E201-K230 VanDerWaalsContact OE1-CE 3.25Å; E201-K230 WeakPolarHBondContact OE1-CE 3.5Å; E201-K230 IonicContact OE1-NZ 2.86Å; E201-K230 PolarHBondContact OE1-NZ 3.21Å
202V97Very high94.1Very high5 Ų566 Ų663%0.0335%0.349CS..EExtended strand (participates in β ladder)trans-120.8117.4178.7175.80000107.9T188 I192 L199 L204 V228 K230 F231 S232T188-V202 HydrophobicContact CG2-CG1 3.88Å; T188-V202 HydrophobicContact CG2-CG2 4.15Å; I192-V202 HydrophobicContact CD1-CG1 4.37Å; I192-V202 HydrophobicContact CD1-CG2 3.88Å; I192-V202 HydrophobicContact CG1-CG2 4.3Å; L199-V202 HydrophobicContact CD1-CG2 4.28Å; L199-V202 HydrophobicContact CD2-CG2 3.97Å; L199-V202 HydrophobicContact CG-CG2 4.08Å; V202-L204 HydrophobicContact CG1-CD2 4.39Å; V202-L204 HydrophobicContact CG1-CG 4.13Å; V202-V228 HydrophobicContact CB-CG1 4.46Å; V202-V228 HydrophobicContact CG2-CG1 3.86Å; V202-V228 HydrophobicContact CG2-CG2 4.04Å; V202-K230 PolarHBondContact N-O 3.06Å; V202-F231 HydrophobicContact CB-CD2 3.72Å; V202-F231 HydrophobicContact CB-CE2 4.07Å; V202-F231 HydrophobicContact CB-CG 4.5Å; V202-F231 HydrophobicContact CG1-CD2 3.71Å; V202-F231 HydrophobicContact CG1-CE2 3.51Å; V202-F231 HydrophobicContact CG1-CZ 4.26Å; V202-F231 HydrophobicContact CG2-CD2 4.36Å; V202-F231 WeakPolarHBondContact O-CA 3.4Å; V202-S232 PolarHBondContact O-N 2.67Å
203N96.4Very high94.1Very high74 Ų7469.9 Ų69.940%0.39637%0.374SS..EExtended strand (participates in β ladder)trans-122.2103.3-177.8-177.91.4000110.7N181 T183 N205N181-N203 PolarHBondContact ND2-O 3.46Å; T183-N203 WeakPolarHBondContact CB-O 3.48Å; T183-N203 PolarHBondContact OG1-O 3.16Å; T183-N203 VanDerWaalsContact OG1-O 3.12Å; N203-N205 WeakPolarHBondContact OD1-CB 3.43Å; N203-N205 PolarHBondContact OD1-N 3.32Å; N203-N205 PolarHBondContact OD1-ND2 2.93Å; N203-N205 PolarHBondContact OD1-OD1 3.21Å
204L95.9Very high94.1Very high0 Ų066.4 Ų66.40%036%0.362CS..  trans-102.715.8175.9-55-178.9000112.3T183 V185 V202 I207 I210 L215 F218 F231 S232 L233 T236T183-L204 HydrophobicContact CG2-CD2 3.96Å; V185-L204 HydrophobicContact CG2-CD2 4.48Å; V202-L204 HydrophobicContact CG1-CD2 4.39Å; V202-L204 HydrophobicContact CG1-CG 4.13Å; L204-I207 HydrophobicContact CB-CD1 4.33Å; L204-I207 HydrophobicContact CD2-CD1 4.11Å; L204-I207 PolarHBondContact O-N 3.05Å; L204-I210 HydrophobicContact CB-CD1 4.16Å; L204-I210 HydrophobicContact CD1-CD1 4.28Å; L204-L215 HydrophobicContact CD1-CD2 4.46Å; L204-F218 HydrophobicContact CD1-CD2 4.2Å; L204-F218 HydrophobicContact CD1-CE1 4.23Å; L204-F218 HydrophobicContact CD1-CE2 3.9Å; L204-F218 HydrophobicContact CD1-CZ 3.9Å; L204-F218 HydrophobicContact CD2-CZ 4.46Å; L204-F231 HydrophobicContact CD1-CZ 3.87Å; L204-S232 PolarHBondContact N-O 3.19Å; L204-L233 HydrophobicContact CB-CB 4.4Å; L204-T236 WeakPolarHBondContact O-CG2 3.34Å
205N95.2Very high94Very high33 Ų3360.5 Ų60.518%0.17633%0.33CS..THydrogen-bonded Turntrans-59.8141.6-175.3-65.6-6.4000111.6N181 N203 I207 S232 L233 A234N181-N205 VanDerWaalsContact CB-O 3.29Å; N181-N205 WeakPolarHBondContact CB-O 3.46Å; N181-N205 PolarHBondContact ND2-N 3.48Å; N181-N205 PolarHBondContact ND2-O 3.43Å; N203-N205 WeakPolarHBondContact OD1-CB 3.43Å; N203-N205 PolarHBondContact OD1-N 3.32Å; N203-N205 PolarHBondContact OD1-ND2 2.93Å; N203-N205 PolarHBondContact OD1-OD1 3.21Å; N205-I207 PolarHBondContact O-N 3.42Å; N205-S232 PolarHBondContact ND2-OG 2.86Å; N205-S232 VanDerWaalsContact OD1-C 3.31Å; N205-S232 VanDerWaalsContact OD1-CB 3.31Å; N205-S232 WeakPolarHBondContact OD1-CB 3.14Å; N205-S232 PolarHBondContact OD1-O 3.17Å; N205-S232 PolarHBondContact OD1-OG 3.13Å; N205-L233 PolarHBondContact OD1-N 3.4Å; N205-A234 VanDerWaalsContact CA-O 3.3Å; N205-A234 WeakPolarHBondContact CA-O 3.22Å; N205-A234 HydrophobicContact CB-CB 4.4Å; N205-A234 WeakPolarHBondContact OD1-CB 3.44Å; N205-A234 PolarHBondContact OD1-N 3.23Å
206N92.7Very high94Very high101 Ų10162.8 Ų62.854%0.5434%0.337SS..THydrogen-bonded Turntrans60.38.5175.9-54.6-52.6000115.3K208 A234N206-K208 PolarHBondContact O-N 2.91Å; N206-K208 VanDerWaalsContact O-N 3.16Å; N206-A234 PolarHBondContact N-O 3.44Å
207I91.9Very high94.1Very high27 Ų2764 Ų6414%0.13834%0.344CS..  trans-77.6104.2172.7-58178.8000107.9N181 V185 L204 N205 I210N181-I207 HydrophobicContact CB-CD1 4.39Å; N181-I207 HydrophobicContact CB-CG1 3.85Å; V185-I207 HydrophobicContact CG2-CD1 4.05Å; V185-I207 HydrophobicContact CG2-CG2 4.08Å; L204-I207 HydrophobicContact CB-CD1 4.33Å; L204-I207 HydrophobicContact CD2-CD1 4.11Å; L204-I207 PolarHBondContact O-N 3.05Å; N205-I207 PolarHBondContact O-N 3.42Å; I207-I210 HydrophobicContact CB-CD1 3.94Å; I207-I210 HydrophobicContact CB-CG1 4.21Å; I207-I210 HydrophobicContact CG2-CD1 3.86Å; I207-I210 HydrophobicContact CG2-CG1 3.68Å
208K81.6Confident94.2Very high155 Ų15562.1 Ų62.167%0.67432%0.324SS*.THydrogen-bonded Turntrans-74.3144.2178-61.9175.5-175.7172.50109.4N206N206-K208 PolarHBondContact O-N 2.91Å; N206-K208 VanDerWaalsContact O-N 3.16Å
209N85.1Confident94.2Very high129 Ų12958.4 Ų58.469%0.6930%0.299SS*.THydrogen-bonded Turntrans72.329.6172-46.7-39.1000116.6P211N209-P211 WeakPolarHBondContact O-CD 3.23Å
210I92.1Very high94.2Very high15 Ų1564.3 Ų64.38%0.07732%0.324CS..  trans-68.8125.1165.7-53.3-179.5000108.6V185 L204 I207 I212 T214 L215 T236V185-I210 HydrophobicContact CG1-CD1 4.48Å; V185-I210 HydrophobicContact CG1-CG2 4.2Å; V185-I210 HydrophobicContact CG2-CD1 4.06Å; V185-I210 HydrophobicContact CG2-CG1 4.24Å; L204-I210 HydrophobicContact CB-CD1 4.16Å; L204-I210 HydrophobicContact CD1-CD1 4.28Å; I207-I210 HydrophobicContact CB-CD1 3.94Å; I207-I210 HydrophobicContact CB-CG1 4.21Å; I207-I210 HydrophobicContact CG2-CD1 3.86Å; I207-I210 HydrophobicContact CG2-CG1 3.68Å; I210-I212 PolarHBondContact O-N 3.23Å; I210-T214 HydrophobicContact CG2-CG2 4.19Å; I210-L215 HydrophobicContact CB-CD2 4.35Å; I210-L215 HydrophobicContact CB-CG 4.31Å; I210-L215 HydrophobicContact CD1-CD2 4.28Å; I210-L215 HydrophobicContact CG2-CD1 4.43Å; I210-L215 HydrophobicContact CG2-CD2 3.81Å; I210-L215 HydrophobicContact CG2-CG 3.72Å; I210-T236 HydrophobicContact CD1-CG2 4.3Å
211P93.8Very high94.2Very high72 Ų7258.9 Ų58.947%0.46830%0.303SS..  trans-61.1138.4175.8-21.833.2000111.3N209 P213 T214 L215N209-P211 WeakPolarHBondContact O-CD 3.23Å; P211-P213 VanDerWaalsContact C-CD 3.42Å; P211-P213 VanDerWaalsContact C-N 3.29Å; P211-T214 WeakPolarHBondContact O-CA 3.41Å; P211-T214 VanDerWaalsContact O-CB 3.32Å; P211-T214 WeakPolarHBondContact O-CB 3.18Å; P211-T214 PolarHBondContact O-N 2.97Å; P211-L215 PolarHBondContact O-N 3.38Å; P211-L215 VanDerWaalsContact O-N 3.16Å
212I93.2Very high94.2Very high70 Ų7053.5 Ų53.536%0.35928%0.278SS..Hα-helixtrans-52.5-42.2175.3-64.4174.4000112.1I210 T214 L215 K216 V242I210-I212 PolarHBondContact O-N 3.23Å; I212-T214 VanDerWaalsContact C-N 3.29Å; I212-T214 PolarHBondContact O-N 3.2Å; I212-L215 PolarHBondContact O-N 3.25Å; I212-K216 HydrophobicContact CG2-CD 4.34Å; I212-K216 HydrophobicContact CG2-CG 4.48Å; I212-K216 WeakPolarHBondContact O-CG 3.38Å; I212-K216 PolarHBondContact O-N 2.96Å; I212-V242 HydrophobicContact CG2-CG2 3.97Å
213P95.8Very high94.1Very high84 Ų8456.2 Ų56.255%0.54529%0.29SS..Hα-helixtrans-57.5-40.8175.1-2635.9000113.1P211 L215 K216 D217P211-P213 VanDerWaalsContact C-CD 3.42Å; P211-P213 VanDerWaalsContact C-N 3.29Å; P213-L215 PolarHBondContact O-N 3.34Å; P213-K216 WeakPolarHBondContact O-CB 3.46Å; P213-K216 PolarHBondContact O-N 3.49Å; P213-K216 VanDerWaalsContact O-N 3.17Å; P213-D217 PolarHBondContact O-N 2.87Å
214T95.4Very high93.9Very high27 Ų2761.2 Ų61.217%0.16631%0.309CS..Hα-helixtrans-62.9-42.3177.3-49.40000111.3V185 L189 I210 P211 I212 K216 D217 F218V185-T214 HydrophobicContact CG1-CG2 3.95Å; L189-T214 HydrophobicContact CD2-CG2 4.19Å; I210-T214 HydrophobicContact CG2-CG2 4.19Å; P211-T214 WeakPolarHBondContact O-CA 3.41Å; P211-T214 VanDerWaalsContact O-CB 3.32Å; P211-T214 WeakPolarHBondContact O-CB 3.18Å; P211-T214 PolarHBondContact O-N 2.97Å; I212-T214 VanDerWaalsContact C-N 3.29Å; I212-T214 PolarHBondContact O-N 3.2Å; T214-K216 VanDerWaalsContact C-N 3.31Å; T214-K216 PolarHBondContact O-N 3.11Å; T214-D217 WeakPolarHBondContact O-CB 3.49Å; T214-D217 PolarHBondContact O-N 2.95Å; T214-D217 VanDerWaalsContact O-N 3.15Å; T214-F218 HydrophobicContact CG2-CD2 4.32Å; T214-F218 HydrophobicContact CG2-CE2 4.01Å; T214-F218 WeakPolarHBondContact O-CD2 3.5Å; T214-F218 PolarHBondContact O-N 3.44Å
215L95.5Very high94Very high1 Ų161.3 Ų61.31%0.00531%0.309CS..Hα-helixtrans-63.9-35.7174.9-67.8172.1000112.6L204 I210 P211 I212 P213 D217 F218 A219 L233 S238 V242L204-L215 HydrophobicContact CD1-CD2 4.46Å; I210-L215 HydrophobicContact CB-CD2 4.35Å; I210-L215 HydrophobicContact CB-CG 4.31Å; I210-L215 HydrophobicContact CD1-CD2 4.28Å; I210-L215 HydrophobicContact CG2-CD1 4.43Å; I210-L215 HydrophobicContact CG2-CD2 3.81Å; I210-L215 HydrophobicContact CG2-CG 3.72Å; P211-L215 PolarHBondContact O-N 3.38Å; P211-L215 VanDerWaalsContact O-N 3.16Å; I212-L215 PolarHBondContact O-N 3.25Å; P213-L215 PolarHBondContact O-N 3.34Å; L215-D217 VanDerWaalsContact C-N 3.35Å; L215-F218 WeakPolarHBondContact O-CB 3.37Å; L215-F218 PolarHBondContact O-N 2.86Å; L215-A219 PolarHBondContact O-N 3.47Å; L215-L233 HydrophobicContact CD2-CD1 4.23Å; L215-S238 WeakPolarHBondContact CD1-OG 3.4Å; L215-V242 HydrophobicContact CB-CG1 4.04Å; L215-V242 HydrophobicContact CB-CG2 4.01Å; L215-V242 HydrophobicContact CD1-CG1 4.41Å; L215-V242 HydrophobicContact CD1-CG2 4Å
216K96.3Very high94Very high101 Ų10163.3 Ų63.344%0.43932%0.322SS..Hα-helixtrans-67.2-37.3172.4-67.6-179.565.7176.50111.7I212 P213 T214 F218 A219 K220 A245I212-K216 HydrophobicContact CG2-CD 4.34Å; I212-K216 HydrophobicContact CG2-CG 4.48Å; I212-K216 WeakPolarHBondContact O-CG 3.38Å; I212-K216 PolarHBondContact O-N 2.96Å; P213-K216 WeakPolarHBondContact O-CB 3.46Å; P213-K216 PolarHBondContact O-N 3.49Å; P213-K216 VanDerWaalsContact O-N 3.17Å; T214-K216 VanDerWaalsContact C-N 3.31Å; T214-K216 PolarHBondContact O-N 3.11Å; K216-F218 VanDerWaalsContact C-N 3.31Å; K216-F218 PolarHBondContact O-N 3.27Å; K216-A219 PolarHBondContact O-N 3.34Å; K216-K220 PolarHBondContact O-N 2.97Å; K216-A245 HydrophobicContact CB-CB 4.41Å; K216-A245 HydrophobicContact CG-CB 4.06Å
217D96.6Very high94.2Very high71 Ų7161.8 Ų61.838%0.3831%0.312SS..Hα-helixtrans-65.1-35.4174.9-72.5-16.5000111.8L189 P213 T214 L215 K220 A221L189-D217 HydrophobicContact CD1-CB 4.27Å; L189-D217 HydrophobicContact CD2-CB 4.05Å; P213-D217 PolarHBondContact O-N 2.87Å; T214-D217 WeakPolarHBondContact O-CB 3.49Å; T214-D217 PolarHBondContact O-N 2.95Å; T214-D217 VanDerWaalsContact O-N 3.15Å; L215-D217 VanDerWaalsContact C-N 3.35Å; D217-K220 PolarHBondContact O-N 3.27Å; D217-A221 VanDerWaalsContact O-CB 3.25Å; D217-A221 WeakPolarHBondContact O-CB 3.45Å; D217-A221 PolarHBondContact O-N 3.02Å
218F96.7Very high94.5Very high0 Ų060.5 Ų60.50%031%0.305CS..Hα-helixtrans-59.2-51.1169.9-85.6-78000111.5V185 T188 L189 I192 L204 T214 L215 K216 K220 A221 M222 F231V185-F218 HydrophobicContact CG1-CE2 3.54Å; V185-F218 HydrophobicContact CG1-CZ 3.87Å; V185-F218 WeakPolarHBondContact O-CZ 3.38Å; T188-F218 HydrophobicContact CG2-CE1 4.25Å; L189-F218 HydrophobicContact CB-CE1 3.9Å; L189-F218 HydrophobicContact CB-CE2 4.13Å; L189-F218 HydrophobicContact CB-CZ 3.68Å; L189-F218 HydrophobicContact CD1-CB 4.45Å; L189-F218 HydrophobicContact CD1-CD1 3.87Å; L189-F218 HydrophobicContact CD1-CD2 4.17Å; L189-F218 HydrophobicContact CD1-CE1 4.12Å; L189-F218 HydrophobicContact CD1-CE2 4.38Å; L189-F218 HydrophobicContact CD1-CG 3.9Å; L189-F218 HydrophobicContact CD1-CZ 4.37Å; I192-F218 HydrophobicContact CD1-CD1 3.45Å; I192-F218 VanDerWaalsContact CD1-CD1 3.45Å; I192-F218 HydrophobicContact CD1-CE1 3.52Å; L204-F218 HydrophobicContact CD1-CD2 4.2Å; L204-F218 HydrophobicContact CD1-CE1 4.23Å; L204-F218 HydrophobicContact CD1-CE2 3.9Å; L204-F218 HydrophobicContact CD1-CZ 3.9Å; L204-F218 HydrophobicContact CD2-CZ 4.46Å; T214-F218 HydrophobicContact CG2-CD2 4.32Å; T214-F218 HydrophobicContact CG2-CE2 4.01Å; T214-F218 WeakPolarHBondContact O-CD2 3.5Å; T214-F218 PolarHBondContact O-N 3.44Å; L215-F218 WeakPolarHBondContact O-CB 3.37Å; L215-F218 PolarHBondContact O-N 2.86Å; K216-F218 VanDerWaalsContact C-N 3.31Å; K216-F218 PolarHBondContact O-N 3.27Å; F218-K220 VanDerWaalsContact C-N 3.32Å; F218-K220 PolarHBondContact O-N 3.38Å; F218-A221 PolarHBondContact O-N 2.87Å; F218-M222 VanDerWaalsContact O-CB 3.3Å; F218-M222 WeakPolarHBondContact O-CB 3.23Å; F218-M222 WeakPolarHBondContact O-CG 3.27Å; F218-M222 PolarHBondContact O-N 3.16Å; F218-F231 HydrophobicContact CB-CE2 4.35Å; F218-F231 HydrophobicContact CB-CZ 4.11Å; F218-F231 AromaticContact CD1-CE2 3.87Å; F218-F231 HydrophobicContact CD1-CE2 3.87Å; F218-F231 HydrophobicContact CD1-CZ 4.13Å; F218-F231 HydrophobicContact CG-CE2 4.35Å; F218-F231 HydrophobicContact CG-CZ 4.19Å
219A96.8Very high95.3Very high0 Ų055.4 Ų55.40%029%0.287CS..Hα-helixtrans-57.8-46178.700000111.4L215 K216 A221 M222 E223 A245 F246 M249L215-A219 PolarHBondContact O-N 3.47Å; K216-A219 PolarHBondContact O-N 3.34Å; A219-A221 PolarHBondContact O-N 3.2Å; A219-M222 WeakPolarHBondContact O-CB 3.29Å; A219-M222 PolarHBondContact O-N 2.8Å; A219-E223 PolarHBondContact O-N 3.03Å; A219-A245 HydrophobicContact CB-CB 3.82Å; A219-F246 HydrophobicContact CB-CD2 4.03Å; A219-F246 HydrophobicContact CB-CE2 4.09Å; A219-F246 HydrophobicContact CB-CG 4.3Å; A219-F246 HydrophobicContact CB-CZ 4.39Å; A219-M249 HydrophobicContact CB-CB 4.3Å; A219-M249 WeakPolarHBondContact O-CB 3.24Å; A219-M249 WeakPolarHBondContact O-CG 3.31Å
220K96.9Very high95.9Very high141 Ų14153.8 Ų53.861%0.61327%0.274SS*.Hα-helixtrans-64.5-40.6178.1-170.8173.1-176.3176.20113.3K216 D217 F218 M222 E223K216-K220 PolarHBondContact O-N 2.97Å; D217-K220 PolarHBondContact O-N 3.27Å; F218-K220 VanDerWaalsContact C-N 3.32Å; F218-K220 PolarHBondContact O-N 3.38Å; K220-M222 VanDerWaalsContact C-N 3.28Å; K220-M222 PolarHBondContact O-N 3.11Å; K220-E223 WeakPolarHBondContact O-CB 3.49Å; K220-E223 PolarHBondContact O-N 3.38Å
221A96.5Very high96.2Very high17 Ų1753.1 Ų53.114%0.1427%0.271CS..Hα-helixtrans-67.1-33.8176.500000111.7L189 I192 K193 D217 F218 A219 E223L189-A221 HydrophobicContact CD1-CB 4.23Å; I192-A221 HydrophobicContact CG2-CB 3.74Å; K193-A221 HydrophobicContact CG-CB 3.71Å; D217-A221 VanDerWaalsContact O-CB 3.25Å; D217-A221 WeakPolarHBondContact O-CB 3.45Å; D217-A221 PolarHBondContact O-N 3.02Å; F218-A221 PolarHBondContact O-N 2.87Å; A219-A221 PolarHBondContact O-N 3.2Å; A221-E223 VanDerWaalsContact C-N 3.34Å; A221-E223 PolarHBondContact O-N 3.2Å
222M96.2Very high96.4Very high0 Ų050.7 Ų50.70%026%0.255CS..Hα-helixtrans-70.1-24.8178.6-75.2-70.5-62.400113.4I192 F218 A219 K220 K224 N225 V228 F231 M249 N253 L256I192-M222 HydrophobicContact CD1-SD 4.22Å; I192-M222 HydrophobicContact CG1-SD 4.46Å; I192-M222 HydrophobicContact CG2-CG 3.97Å; I192-M222 HydrophobicContact CG2-SD 3.7Å; F218-M222 VanDerWaalsContact O-CB 3.3Å; F218-M222 WeakPolarHBondContact O-CB 3.23Å; F218-M222 WeakPolarHBondContact O-CG 3.27Å; F218-M222 PolarHBondContact O-N 3.16Å; A219-M222 WeakPolarHBondContact O-CB 3.29Å; A219-M222 PolarHBondContact O-N 2.8Å; K220-M222 VanDerWaalsContact C-N 3.28Å; K220-M222 PolarHBondContact O-N 3.11Å; M222-K224 PolarHBondContact O-N 3.45Å; M222-K224 VanDerWaalsContact O-N 3.12Å; M222-N225 PolarHBondContact O-N 3.02Å; M222-N225 VanDerWaalsContact O-N 3.09Å; M222-N225 HydrophobicContact SD-CB 4.18Å; M222-V228 HydrophobicContact CE-CB 3.74Å; M222-V228 HydrophobicContact CE-CG1 3.6Å; M222-V228 HydrophobicContact SD-CB 3.84Å; M222-V228 HydrophobicContact SD-CG1 3.94Å; M222-V228 HydrophobicContact SD-CG2 4.03Å; M222-F231 HydrophobicContact CE-CD2 4.38Å; M222-F231 HydrophobicContact CG-CD2 4.47Å; M222-F231 HydrophobicContact SD-CD2 4.33Å; M222-M249 HydrophobicContact CB-CG 3.69Å; M222-M249 HydrophobicContact CB-SD 4.03Å; M222-N253 PolarHBondContact O-ND2 2.92Å; M222-L256 HydrophobicContact CE-CD1 3.89Å
223E95.8Very high96.5Very high62 Ų6247.3 Ų47.329%0.2924%0.238SC..THydrogen-bonded Turntrans-48.5-42.8177.4-75168.2-16300112.8A219 K220 A221 M249 E252A219-E223 PolarHBondContact O-N 3.03Å; K220-E223 WeakPolarHBondContact O-CB 3.49Å; K220-E223 PolarHBondContact O-N 3.38Å; A221-E223 VanDerWaalsContact C-N 3.34Å; A221-E223 PolarHBondContact O-N 3.2Å; E223-M249 HydrophobicContact CG-CB 4.13Å; E223-M249 HydrophobicContact CG-CG 4.2Å; E223-E252 HydrophobicContact CB-CB 4.47Å
224K93.1Very high96.5Very high179 Ų17943.8 Ų43.878%0.77822%0.216SC*.THydrogen-bonded Turntrans-103.6-0.4-177.5-61.3-174.9-179-1780114M222M222-K224 PolarHBondContact O-N 3.45Å; M222-K224 VanDerWaalsContact O-N 3.12Å
225N96.3Very high96.4Very high3 Ų344 Ų442%0.01622%0.221CC..  trans-74.1133.4-176.8-172.1-77.6000110.6I192 N195 M222 H227 V228 N253 T255I192-N225 HydrophobicContact CG2-CB 4.27Å; I192-N225 PolarHBondContact O-ND2 3.32Å; I192-N225 VanDerWaalsContact O-ND2 3.14Å; N195-N225 WeakPolarHBondContact OD1-CA 3.46Å; N195-N225 PolarHBondContact OD1-ND2 3.5Å; M222-N225 PolarHBondContact O-N 3.02Å; M222-N225 VanDerWaalsContact O-N 3.09Å; M222-N225 HydrophobicContact SD-CB 4.18Å; N225-H227 PolarHBondContact OD1-N 3Å; N225-V228 WeakPolarHBondContact OD1-CB 3.43Å; N225-V228 WeakPolarHBondContact OD1-CG2 3.47Å; N225-V228 PolarHBondContact OD1-N 2.76Å; N225-N253 PolarHBondContact O-ND2 3.03Å; N225-T255 PolarHBondContact O-OG1 3.43Å
226T96.5Very high96.3Very high74 Ų7444.1 Ų44.145%0.45422%0.221SC..SBendtrans-108.60.7-175.456.80000114.4N195 T255N195-T226 PolarHBondContact ND2-OG1 3.48Å; N195-T226 PolarHBondContact OD1-N 3.44Å; N195-T226 PolarHBondContact OD1-OG1 2.7Å; T226-T255 WeakPolarHBondContact O-CG2 3.44Å
227H96.9Very high96.1Very high69 Ų6946.7 Ų46.732%0.31923%0.228SC..SBendtrans-120.7-32.4-168.1-62.8-62000114N195 L199 N225 T229N195-H227 PolarHBondContact O-CD2 3.25Å; N195-H227 VanDerWaalsContact O-CD2 3.23Å; N195-H227 PolarHBondContact OD1-CD2 3.29Å; N195-H227 VanDerWaalsContact OD1-CD2 3.26Å; L199-H227 CarbonylContact O-C 3.53Å; N225-H227 PolarHBondContact OD1-N 3Å; H227-T229 PolarHBondContact O-N 2.67Å
228V97.8Very high96Very high0 Ų043.3 Ų43.30%021%0.21CC..  trans-72.4120.9179.5179.10000109.7I192 L199 V202 M222 N225 L256I192-V228 HydrophobicContact CG1-CG2 4.32Å; L199-V228 HydrophobicContact CD2-CG2 4.26Å; L199-V228 HydrophobicContact CG-CG2 4.16Å; L199-V228 WeakPolarHBondContact O-CG2 3.45Å; V202-V228 HydrophobicContact CB-CG1 4.46Å; V202-V228 HydrophobicContact CG2-CG1 3.86Å; V202-V228 HydrophobicContact CG2-CG2 4.04Å; M222-V228 HydrophobicContact CE-CB 3.74Å; M222-V228 HydrophobicContact CE-CG1 3.6Å; M222-V228 HydrophobicContact SD-CB 3.84Å; M222-V228 HydrophobicContact SD-CG1 3.94Å; M222-V228 HydrophobicContact SD-CG2 4.03Å; N225-V228 WeakPolarHBondContact OD1-CB 3.43Å; N225-V228 WeakPolarHBondContact OD1-CG2 3.47Å; N225-V228 PolarHBondContact OD1-N 2.76Å; V228-L256 HydrophobicContact CG1-CD1 4.34Å
229T97.8Very high95.9Very high48 Ų4844.9 Ų44.929%0.29422%0.221SC..  trans-107.9-24.8-17960.50000112.8K200 H227 R257 S258K200-T229 PolarHBondContact O-N 3.14Å; K200-T229 PolarHBondContact O-OG1 3.36Å; K200-T229 VanDerWaalsContact O-OG1 3.05Å; H227-T229 PolarHBondContact O-N 2.67Å; T229-R257 WeakPolarHBondContact O-CA 3.36Å; T229-R257 WeakPolarHBondContact O-CB 3.34Å; T229-R257 PolarHBondContact O-N 3.37Å; T229-S258 PolarHBondContact O-N 2.92Å
230K98.3Very high95.8Very high96 Ų9646.6 Ų46.642%0.41723%0.23SC..EExtended strand (participates in β ladder)trans-128.8128.7176.9-53.9-171.3-170.5153.90110.5K200 E201 V202 S258K200-K230 PolarHBondContact O-N 2.91Å; E201-K230 WeakPolarHBondContact CA-O 3.41Å; E201-K230 HydrophobicContact CB-CB 4.34Å; E201-K230 HydrophobicContact CG-CB 4.09Å; E201-K230 HydrophobicContact CG-CD 4.1Å; E201-K230 HydrophobicContact CG-CG 4.2Å; E201-K230 WeakPolarHBondContact OE1-CD 3.32Å; E201-K230 VanDerWaalsContact OE1-CE 3.25Å; E201-K230 WeakPolarHBondContact OE1-CE 3.5Å; E201-K230 IonicContact OE1-NZ 2.86Å; E201-K230 PolarHBondContact OE1-NZ 3.21Å; V202-K230 PolarHBondContact N-O 3.06Å; K230-S258 WeakPolarHBondContact CA-O 3.45Å
231F98.1Very high95.8Very high1 Ų142.9 Ų42.90%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-129.6124.7176-168.1-79.9000109.4I192 V202 L204 F218 M222 L233 F246 L256 S258 L259 N260I192-F231 HydrophobicContact CD1-CE2 4.46Å; V202-F231 HydrophobicContact CB-CD2 3.72Å; V202-F231 HydrophobicContact CB-CE2 4.07Å; V202-F231 HydrophobicContact CB-CG 4.5Å; V202-F231 HydrophobicContact CG1-CD2 3.71Å; V202-F231 HydrophobicContact CG1-CE2 3.51Å; V202-F231 HydrophobicContact CG1-CZ 4.26Å; V202-F231 HydrophobicContact CG2-CD2 4.36Å; V202-F231 WeakPolarHBondContact O-CA 3.4Å; L204-F231 HydrophobicContact CD1-CZ 3.87Å; F218-F231 HydrophobicContact CB-CE2 4.35Å; F218-F231 HydrophobicContact CB-CZ 4.11Å; F218-F231 AromaticContact CD1-CE2 3.87Å; F218-F231 HydrophobicContact CD1-CE2 3.87Å; F218-F231 HydrophobicContact CD1-CZ 4.13Å; F218-F231 HydrophobicContact CG-CE2 4.35Å; F218-F231 HydrophobicContact CG-CZ 4.19Å; M222-F231 HydrophobicContact CE-CD2 4.38Å; M222-F231 HydrophobicContact CG-CD2 4.47Å; M222-F231 HydrophobicContact SD-CD2 4.33Å; F231-L233 HydrophobicContact CD1-CD2 3.54Å; F231-L233 HydrophobicContact CE1-CB 4.05Å; F231-L233 HydrophobicContact CE1-CD2 3.36Å; F231-L233 HydrophobicContact CE1-CG 4.14Å; F231-F246 AromaticContact CD1-CE1 3.65Å; F231-F246 HydrophobicContact CD1-CE1 3.65Å; F231-F246 AromaticContact CD1-CZ 3.85Å; F231-F246 HydrophobicContact CD1-CZ 3.85Å; F231-F246 AromaticContact CE1-CE1 3.64Å; F231-F246 HydrophobicContact CE1-CE1 3.64Å; F231-F246 HydrophobicContact CE1-CE2 4.43Å; F231-F246 AromaticContact CE1-CZ 3.31Å; F231-F246 HydrophobicContact CE1-CZ 3.31Å; F231-F246 HydrophobicContact CG-CE1 4.28Å; F231-F246 HydrophobicContact CZ-CE1 4.22Å; F231-F246 AromaticContact CZ-CZ 3.73Å; F231-F246 HydrophobicContact CZ-CZ 3.73Å; F231-L256 HydrophobicContact CB-CD1 3.78Å; F231-L256 HydrophobicContact CB-CD2 4.47Å; F231-S258 PolarHBondContact N-O 3.44Å; F231-L259 HydrophobicContact CB-CD1 4.33Å; F231-L259 HydrophobicContact CD1-CD1 4.02Å; F231-L259 CarbonylContact O-C 3.59Å; F231-L259 WeakPolarHBondContact O-CA 3.46Å; F231-N260 PolarHBondContact O-N 3.44Å
232S97.6Very high95.8Very high20 Ų2042.1 Ų42.114%0.1421%0.214CC..EExtended strand (participates in β ladder)trans-131.3127.2-176.9-167.10000110.2V202 L204 N205 N260V202-S232 PolarHBondContact O-N 2.67Å; L204-S232 PolarHBondContact N-O 3.19Å; N205-S232 PolarHBondContact ND2-OG 2.86Å; N205-S232 VanDerWaalsContact OD1-C 3.31Å; N205-S232 VanDerWaalsContact OD1-CB 3.31Å; N205-S232 WeakPolarHBondContact OD1-CB 3.14Å; N205-S232 PolarHBondContact OD1-O 3.17Å; N205-S232 PolarHBondContact OD1-OG 3.13Å; S232-N260 WeakPolarHBondContact OG-CB 3.38Å
233L96.1Very high95.8Very high0 Ų042.1 Ų42.10%021%0.214CC..  trans-136.346.5176.966.5155.6000110.8L204 N205 L215 F231 T236 S238 V242 F246 L259 N260 L261 N264L204-L233 HydrophobicContact CB-CB 4.4Å; N205-L233 PolarHBondContact OD1-N 3.4Å; L215-L233 HydrophobicContact CD2-CD1 4.23Å; F231-L233 HydrophobicContact CD1-CD2 3.54Å; F231-L233 HydrophobicContact CE1-CB 4.05Å; F231-L233 HydrophobicContact CE1-CD2 3.36Å; F231-L233 HydrophobicContact CE1-CG 4.14Å; L233-T236 HydrophobicContact CB-CG2 4.15Å; L233-T236 PolarHBondContact O-OG1 2.93Å; L233-T236 VanDerWaalsContact O-OG1 3.11Å; L233-S238 WeakPolarHBondContact CD1-OG 3.5Å; L233-V242 HydrophobicContact CD1-CG1 4.07Å; L233-F246 HydrophobicContact CD1-CE2 4.11Å; L233-F246 HydrophobicContact CD1-CZ 4.42Å; L233-F246 HydrophobicContact CD2-CE1 4.41Å; L233-F246 HydrophobicContact CD2-CE2 4.47Å; L233-F246 HydrophobicContact CD2-CZ 4.13Å; L233-L259 HydrophobicContact CD2-CD1 4.15Å; L233-N260 VanDerWaalsContact CD2-O 3.23Å; L233-N260 WeakPolarHBondContact CD2-O 3.25Å; L233-N260 PolarHBondContact N-O 3.01Å; L233-L261 HydrophobicContact CD1-CD2 3.72Å; L233-L261 HydrophobicContact CD2-CD2 3.35Å; L233-L261 HydrophobicContact CD2-CG 4.04Å; L233-L261 HydrophobicContact CG-CD2 3.66Å; L233-N264 PolarHBondContact O-ND2 3.22Å
234A95.3Very high95.9Very high10 Ų1041.9 Ų41.98%0.08322%0.217CC..THydrogen-bonded Turntrans-70140.3179.500000111N205 N206 T236 E262N205-A234 VanDerWaalsContact CA-O 3.3Å; N205-A234 WeakPolarHBondContact CA-O 3.22Å; N205-A234 HydrophobicContact CB-CB 4.4Å; N205-A234 WeakPolarHBondContact OD1-CB 3.44Å; N205-A234 PolarHBondContact OD1-N 3.23Å; N206-A234 PolarHBondContact N-O 3.44Å; A234-T236 VanDerWaalsContact C-N 3.31Å; A234-T236 PolarHBondContact O-N 3.2Å; A234-E262 VanDerWaalsContact CA-O 3.24Å; A234-E262 WeakPolarHBondContact CA-O 3.45Å; A234-E262 HydrophobicContact CB-CB 4.3Å
235A93.8Very high96.1Very high32 Ų3234 Ų3426%0.26419%0.185SC..THydrogen-bonded Turntrans57.535.5177.300000115.3E262 S263A235-E262 PolarHBondContact N-O 3.41Å; A235-E262 VanDerWaalsContact N-O 3.1Å; A235-S263 VanDerWaalsContact CA-O 3.31Å; A235-S263 WeakPolarHBondContact CA-O 3.42Å
236T93.7Very high96.1Very high3 Ų333.8 Ų33.82%0.01818%0.184CC..SBendtrans-100.37.8178.261.90000113.9L204 I210 L233 A234 S238 N264L204-T236 WeakPolarHBondContact O-CG2 3.34Å; I210-T236 HydrophobicContact CD1-CG2 4.3Å; L233-T236 HydrophobicContact CB-CG2 4.15Å; L233-T236 PolarHBondContact O-OG1 2.93Å; L233-T236 VanDerWaalsContact O-OG1 3.11Å; A234-T236 VanDerWaalsContact C-N 3.31Å; A234-T236 PolarHBondContact O-N 3.2Å; T236-S238 VanDerWaalsContact C-N 3.3Å; T236-S238 PolarHBondContact O-N 3.18Å; T236-S238 PolarHBondContact OG1-OG 3.45Å; T236-N264 PolarHBondContact N-OD1 3.46Å; T236-N264 PolarHBondContact OG1-OD1 2.93Å
237R92.3Very high96.1Very high155 Ų15530.4 Ų30.459%0.58516%0.163SC*.  trans61.632.8-174.8-55.1-179168.6173.8-5.6113.9N264 F265R237-N264 PolarHBondContact N-OD1 3.33Å; R237-N264 VanDerWaalsContact N-OD1 3.16Å; R237-F265 HydrophobicContact CB-CD2 4.15Å; R237-F265 HydrophobicContact CB-CE2 3.9Å; R237-F265 HydrophobicContact CG-CE2 3.79Å; R237-F265 HydrophobicContact CG-CZ 4.4Å
238S93.6Very high96.1Very high0 Ų031 Ų310%017%0.169CC..  trans-68.8144.1176.3-58.60000111.5L215 L233 T236 N264 F265L215-S238 WeakPolarHBondContact CD1-OG 3.4Å; L233-S238 WeakPolarHBondContact CD1-OG 3.5Å; T236-S238 VanDerWaalsContact C-N 3.3Å; T236-S238 PolarHBondContact O-N 3.18Å; T236-S238 PolarHBondContact OG1-OG 3.45Å; S238-N264 PolarHBondContact N-OD1 3.33Å; S238-F265 CarbonylContact O-C 3.58Å; S238-F265 WeakPolarHBondContact O-CA 3.36Å; S238-F265 WeakPolarHBondContact O-CB 3.45Å; S238-F265 PolarHBondContact O-N 3Å
239S93.9Very high96.1Very high32 Ų3231 Ų3122%0.22417%0.169CC..BIsolated β-bridgetrans-123.6-178.9179.954.90000111.7P241 V242 A243S239-P241 VanDerWaalsContact C-N 3.34Å; S239-P241 WeakPolarHBondContact OG-CD 3.26Å; S239-V242 WeakPolarHBondContact O-CB 3.48Å; S239-V242 PolarHBondContact O-N 2.98Å; S239-A243 PolarHBondContact O-N 3Å
240D96.1Very high96Very high36 Ų3628.8 Ų28.819%0.19316%0.155CC..Hα-helixtrans-49.6-39.5-176.4-60.7-22.3000115.4V242 A243 V244 I266 T267 T269D240-V242 PolarHBondContact O-N 3.29Å; D240-A243 WeakPolarHBondContact O-CB 3.43Å; D240-A243 PolarHBondContact O-N 2.85Å; D240-V244 WeakPolarHBondContact O-CG2 3.39Å; D240-V244 PolarHBondContact O-N 2.72Å; D240-I266 WeakPolarHBondContact OD1-CA 3.47Å; D240-T267 PolarHBondContact OD1-N 3.47Å; D240-T267 PolarHBondContact OD1-OG1 3.47Å; D240-T267 PolarHBondContact OD2-OG1 3.02Å; D240-T269 PolarHBondContact OD2-OG1 3.25Å; D240-T269 VanDerWaalsContact OD2-OG1 3.14Å
241P96.3Very high95.9Very high64 Ų6428.7 Ų28.742%0.41615%0.152SC..Hα-helixtrans-59.6-30.5175.4-26.135.9000114.3S239 A245S239-P241 VanDerWaalsContact C-N 3.34Å; S239-P241 WeakPolarHBondContact OG-CD 3.26Å; P241-A245 PolarHBondContact O-N 3.04Å
242V96.2Very high95.8Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-73.4-45.5173.7-179.30000109.1I212 L215 L233 S239 D240 V244 A245 F246I212-V242 HydrophobicContact CG2-CG2 3.97Å; L215-V242 HydrophobicContact CB-CG1 4.04Å; L215-V242 HydrophobicContact CB-CG2 4.01Å; L215-V242 HydrophobicContact CD1-CG1 4.41Å; L215-V242 HydrophobicContact CD1-CG2 4Å; L233-V242 HydrophobicContact CD1-CG1 4.07Å; S239-V242 WeakPolarHBondContact O-CB 3.48Å; S239-V242 PolarHBondContact O-N 2.98Å; D240-V242 PolarHBondContact O-N 3.29Å; V242-V244 VanDerWaalsContact C-N 3.31Å; V242-V244 PolarHBondContact O-N 2.94Å; V242-A245 PolarHBondContact O-N 3.06Å; V242-A245 VanDerWaalsContact O-N 3.14Å; V242-F246 HydrophobicContact CG1-CD2 3.69Å; V242-F246 HydrophobicContact CG1-CE2 3.72Å; V242-F246 WeakPolarHBondContact O-CD2 3.49Å; V242-F246 PolarHBondContact O-N 3.29Å
243A96.5Very high95.8Very high0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-57.2-43.2176.900000112.3S239 D240 F246 S247 I266 L274S239-A243 PolarHBondContact O-N 3Å; D240-A243 WeakPolarHBondContact O-CB 3.43Å; D240-A243 PolarHBondContact O-N 2.85Å; A243-F246 PolarHBondContact O-N 2.69Å; A243-S247 WeakPolarHBondContact O-CB 3.23Å; A243-S247 PolarHBondContact O-N 3.11Å; A243-S247 PolarHBondContact O-OG 2.74Å; A243-I266 HydrophobicContact CB-CD1 4.16Å; A243-I266 HydrophobicContact CB-CG1 4.29Å; A243-I266 HydrophobicContact CB-CG2 3.76Å; A243-L274 HydrophobicContact CB-CD1 4.11Å; A243-L274 HydrophobicContact CB-CG 4.34Å
244V97.5Very high95.7Very high57 Ų5738.6 Ų38.635%0.34520%0.195SC..Hα-helixtrans-61.3-47174.9174.40000111.1D240 V242 F246 S247 D248D240-V244 WeakPolarHBondContact O-CG2 3.39Å; D240-V244 PolarHBondContact O-N 2.72Å; V242-V244 VanDerWaalsContact C-N 3.31Å; V242-V244 PolarHBondContact O-N 2.94Å; V244-F246 VanDerWaalsContact C-N 3.32Å; V244-F246 PolarHBondContact O-N 3.07Å; V244-S247 WeakPolarHBondContact O-CA 3.48Å; V244-S247 VanDerWaalsContact O-CB 3.23Å; V244-S247 WeakPolarHBondContact O-CB 3.45Å; V244-S247 PolarHBondContact O-N 3.42Å; V244-D248 PolarHBondContact O-N 3.01Å
245A97.5Very high95.8Very high13 Ų1339.6 Ų39.611%0.10720%0.2CC..Hα-helixtrans-61.2-40.2178.100000112.4K216 A219 P241 V242 S247 D248 M249K216-A245 HydrophobicContact CB-CB 4.41Å; K216-A245 HydrophobicContact CG-CB 4.06Å; A219-A245 HydrophobicContact CB-CB 3.82Å; P241-A245 PolarHBondContact O-N 3.04Å; V242-A245 PolarHBondContact O-N 3.06Å; V242-A245 VanDerWaalsContact O-N 3.14Å; A245-S247 VanDerWaalsContact C-N 3.31Å; A245-D248 PolarHBondContact O-N 3Å; A245-M249 WeakPolarHBondContact O-CB 3.36Å; A245-M249 PolarHBondContact O-N 3.01Å
246F97.1Very high96Very high0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-68-31.3173-86.2-90.2000112.5A219 F231 L233 V242 A243 V244 M249 L250 L259 L274A219-F246 HydrophobicContact CB-CD2 4.03Å; A219-F246 HydrophobicContact CB-CE2 4.09Å; A219-F246 HydrophobicContact CB-CG 4.3Å; A219-F246 HydrophobicContact CB-CZ 4.39Å; F231-F246 AromaticContact CD1-CE1 3.65Å; F231-F246 HydrophobicContact CD1-CE1 3.65Å; F231-F246 AromaticContact CD1-CZ 3.85Å; F231-F246 HydrophobicContact CD1-CZ 3.85Å; F231-F246 AromaticContact CE1-CE1 3.64Å; F231-F246 HydrophobicContact CE1-CE1 3.64Å; F231-F246 HydrophobicContact CE1-CE2 4.43Å; F231-F246 AromaticContact CE1-CZ 3.31Å; F231-F246 HydrophobicContact CE1-CZ 3.31Å; F231-F246 HydrophobicContact CG-CE1 4.28Å; F231-F246 HydrophobicContact CZ-CE1 4.22Å; F231-F246 AromaticContact CZ-CZ 3.73Å; F231-F246 HydrophobicContact CZ-CZ 3.73Å; L233-F246 HydrophobicContact CD1-CE2 4.11Å; L233-F246 HydrophobicContact CD1-CZ 4.42Å; L233-F246 HydrophobicContact CD2-CE1 4.41Å; L233-F246 HydrophobicContact CD2-CE2 4.47Å; L233-F246 HydrophobicContact CD2-CZ 4.13Å; V242-F246 HydrophobicContact CG1-CD2 3.69Å; V242-F246 HydrophobicContact CG1-CE2 3.72Å; V242-F246 WeakPolarHBondContact O-CD2 3.49Å; V242-F246 PolarHBondContact O-N 3.29Å; A243-F246 PolarHBondContact O-N 2.69Å; V244-F246 VanDerWaalsContact C-N 3.32Å; V244-F246 PolarHBondContact O-N 3.07Å; F246-M249 HydrophobicContact CD1-CE 3.47Å; F246-M249 VanDerWaalsContact CD1-CE 3.47Å; F246-M249 HydrophobicContact CE1-CE 3.98Å; F246-M249 HydrophobicContact CG-CE 4.43Å; F246-M249 PolarHBondContact O-N 2.9Å; F246-L250 WeakPolarHBondContact O-CB 3.49Å; F246-L250 WeakPolarHBondContact O-CG 3.23Å; F246-L250 PolarHBondContact O-N 3.32Å; F246-L259 HydrophobicContact CD1-CD1 3.83Å; F246-L259 HydrophobicContact CD1-CD2 4.24Å; F246-L259 HydrophobicContact CE1-CD1 3.94Å; F246-L274 HydrophobicContact CB-CD2 4.31Å
247S96.8Very high96.2Very high2 Ų242.8 Ų42.81%0.01421%0.205CC..Hα-helixtrans-64.5-46.6174.3-53.20000110.9A243 V244 A245 M249 L250 R251 S273 L274 A277A243-S247 WeakPolarHBondContact O-CB 3.23Å; A243-S247 PolarHBondContact O-N 3.11Å; A243-S247 PolarHBondContact O-OG 2.74Å; V244-S247 WeakPolarHBondContact O-CA 3.48Å; V244-S247 VanDerWaalsContact O-CB 3.23Å; V244-S247 WeakPolarHBondContact O-CB 3.45Å; V244-S247 PolarHBondContact O-N 3.42Å; A245-S247 VanDerWaalsContact C-N 3.31Å; S247-M249 VanDerWaalsContact C-N 3.34Å; S247-M249 PolarHBondContact O-N 2.77Å; S247-L250 PolarHBondContact O-N 3.49Å; S247-R251 PolarHBondContact O-N 3.33Å; S247-S273 WeakPolarHBondContact CB-O 3.42Å; S247-S273 PolarHBondContact OG-O 3.23Å; S247-L274 VanDerWaalsContact OG-CA 3.26Å; S247-L274 WeakPolarHBondContact OG-CA 3.4Å; S247-L274 WeakPolarHBondContact OG-CD2 3.39Å; S247-L274 WeakPolarHBondContact OG-CG 3.3Å; S247-L274 PolarHBondContact OG-N 2.86Å; S247-A277 WeakPolarHBondContact O-CB 3.44Å
248D96.6Very high96.4Very high83 Ų8336.2 Ų36.244%0.44418%0.183SC..Hα-helixtrans-60.9-44.7175.8-65.1-26.4000110.8V244 A245 L250 R251V244-D248 PolarHBondContact O-N 3.01Å; A245-D248 PolarHBondContact O-N 3Å; D248-L250 VanDerWaalsContact C-N 3.34Å; D248-L250 PolarHBondContact O-N 3.16Å; D248-R251 WeakPolarHBondContact O-CB 3.42Å; D248-R251 PolarHBondContact O-N 3.15Å; D248-R251 VanDerWaalsContact O-N 3.12Å
249M96.9Very high96.7Very high0 Ų036.2 Ų36.20%018%0.183CC..Hα-helixtrans-58.7-42.2175.1179.7-80.4-64.700112.7A219 M222 E223 A245 F246 S247 R251 E252 N253 L256A219-M249 HydrophobicContact CB-CB 4.3Å; A219-M249 WeakPolarHBondContact O-CB 3.24Å; A219-M249 WeakPolarHBondContact O-CG 3.31Å; M222-M249 HydrophobicContact CB-CG 3.69Å; M222-M249 HydrophobicContact CB-SD 4.03Å; E223-M249 HydrophobicContact CG-CB 4.13Å; E223-M249 HydrophobicContact CG-CG 4.2Å; A245-M249 WeakPolarHBondContact O-CB 3.36Å; A245-M249 PolarHBondContact O-N 3.01Å; F246-M249 HydrophobicContact CD1-CE 3.47Å; F246-M249 VanDerWaalsContact CD1-CE 3.47Å; F246-M249 HydrophobicContact CE1-CE 3.98Å; F246-M249 HydrophobicContact CG-CE 4.43Å; F246-M249 PolarHBondContact O-N 2.9Å; S247-M249 VanDerWaalsContact C-N 3.34Å; S247-M249 PolarHBondContact O-N 2.77Å; M249-R251 PolarHBondContact O-N 3.33Å; M249-E252 PolarHBondContact O-N 3Å; M249-N253 HydrophobicContact CG-CB 4.29Å; M249-N253 WeakPolarHBondContact O-CB 3.29Å; M249-N253 PolarHBondContact O-N 3.21Å; M249-N253 HydrophobicContact SD-CB 3.44Å; M249-N253 WeakPolarHBondContact SD-CB 3.3Å; M249-L256 HydrophobicContact CE-CD2 3.85Å; M249-L256 HydrophobicContact SD-CD2 4.5Å
250L97Very high96.9Very high1 Ų135.4 Ų35.41%0.00518%0.176CC..Hα-helixtrans-65.7-21.8178.7-75.2170.5000113.2F246 S247 D248 L256 L259 L274 A277 L278 N281 L284F246-L250 WeakPolarHBondContact O-CB 3.49Å; F246-L250 WeakPolarHBondContact O-CG 3.23Å; F246-L250 PolarHBondContact O-N 3.32Å; S247-L250 PolarHBondContact O-N 3.49Å; D248-L250 VanDerWaalsContact C-N 3.34Å; D248-L250 PolarHBondContact O-N 3.16Å; L250-L256 HydrophobicContact CD2-CD2 4.28Å; L250-L259 HydrophobicContact CD1-CD2 3.99Å; L250-L274 HydrophobicContact CD1-CD2 4.12Å; L250-A277 HydrophobicContact CB-CB 4.18Å; L250-L278 HydrophobicContact CD1-CD2 4.04Å; L250-N281 PolarHBondContact O-ND2 3.42Å; L250-L284 HydrophobicContact CD2-CD1 4.28Å; L250-L284 HydrophobicContact CD2-CD2 4.04Å
251R95.6Very high96.9Very high94 Ų9433.7 Ų33.736%0.35517%0.167SC..Hα-helixtrans-70.3-39.7175.7-65.5178.7-177-76.11.4111.3S247 D248 M249 K254 E276 A277 D280S247-R251 PolarHBondContact O-N 3.33Å; D248-R251 WeakPolarHBondContact O-CB 3.42Å; D248-R251 PolarHBondContact O-N 3.15Å; D248-R251 VanDerWaalsContact O-N 3.12Å; M249-R251 PolarHBondContact O-N 3.33Å; R251-K254 PolarHBondContact O-NZ 3.43Å; R251-E276 PolarHBondContact NH1-O 3.24Å; R251-A277 HydrophobicContact CG-CB 3.96Å; R251-D280 IonicContact NH1-OD2 2.74Å
252E95.8Very high96.9Very high133 Ų13333 Ų3362%0.62116%0.158SC*.Hα-helixtrans-90-43.9-176-64.7-64.616100112.9E223 M249 K254E223-E252 HydrophobicContact CB-CB 4.47Å; M249-E252 PolarHBondContact O-N 3Å; E252-K254 PolarHBondContact O-N 3.48Å
253N96.5Very high96.8Very high1 Ų135.1 Ų35.11%0.00517%0.172CC..  trans-70.1130.3-173.9-176.5-79.4000111.8M222 N225 M249 T255 L256 N281M222-N253 PolarHBondContact O-ND2 2.92Å; N225-N253 PolarHBondContact O-ND2 3.03Å; M249-N253 HydrophobicContact CG-CB 4.29Å; M249-N253 WeakPolarHBondContact O-CB 3.29Å; M249-N253 PolarHBondContact O-N 3.21Å; M249-N253 HydrophobicContact SD-CB 3.44Å; M249-N253 WeakPolarHBondContact SD-CB 3.3Å; N253-T255 PolarHBondContact ND2-OG1 3.16Å; N253-T255 PolarHBondContact OD1-N 3.14Å; N253-T255 PolarHBondContact OD1-OG1 2.9Å; N253-L256 VanDerWaalsContact OD1-CB 3.29Å; N253-L256 WeakPolarHBondContact OD1-CB 3.39Å; N253-L256 PolarHBondContact OD1-N 2.8Å; N253-N281 PolarHBondContact O-ND2 3.09Å
254K95.2Very high96.8Very high95 Ų9535.2 Ų35.241%0.41317%0.173SC..SBendtrans-11610-179.8-55.8-57.3170-167.20114R251 E252 R257 T283R251-K254 PolarHBondContact O-NZ 3.43Å; E252-K254 PolarHBondContact O-N 3.48Å; K254-R257 PolarHBondContact O-NH1 3.2Å; K254-T283 HydrophobicContact CB-CG2 3.84Å; K254-T283 HydrophobicContact CD-CG2 3.86Å; K254-T283 HydrophobicContact CG-CG2 4.43Å; K254-T283 WeakPolarHBondContact O-CG2 3.4Å
255T96.7Very high96.7Very high30 Ų3036.4 Ų36.418%0.18417%0.174CC..SBendtrans-115.8-29.9-170.250.30000113.3N225 T226 N253 R257N225-T255 PolarHBondContact O-OG1 3.43Å; T226-T255 WeakPolarHBondContact O-CG2 3.44Å; N253-T255 PolarHBondContact ND2-OG1 3.16Å; N253-T255 PolarHBondContact OD1-N 3.14Å; N253-T255 PolarHBondContact OD1-OG1 2.9Å; T255-R257 VanDerWaalsContact C-NH1 3.28Å; T255-R257 PolarHBondContact O-NH1 2.7Å
256L97.7Very high96.6Very high0 Ų035.9 Ų35.90%017%0.169CC..  trans-63.5137.9176.1-165.667.5000110.5M222 V228 F231 M249 L250 N253 L259 T283 L284M222-L256 HydrophobicContact CE-CD1 3.89Å; V228-L256 HydrophobicContact CG1-CD1 4.34Å; F231-L256 HydrophobicContact CB-CD1 3.78Å; F231-L256 HydrophobicContact CB-CD2 4.47Å; M249-L256 HydrophobicContact CE-CD2 3.85Å; M249-L256 HydrophobicContact SD-CD2 4.5Å; L250-L256 HydrophobicContact CD2-CD2 4.28Å; N253-L256 VanDerWaalsContact OD1-CB 3.29Å; N253-L256 WeakPolarHBondContact OD1-CB 3.39Å; N253-L256 PolarHBondContact OD1-N 2.8Å; L256-L259 HydrophobicContact CD2-CB 4.18Å; L256-L259 HydrophobicContact CD2-CD1 4.46Å; L256-T283 CarbonylContact O-C 3.47Å; L256-L284 HydrophobicContact CB-CD1 4.36Å; L256-L284 HydrophobicContact CD2-CD1 4.05Å; L256-L284 HydrophobicContact CG-CD1 3.91Å
257R97.8Very high96.5Very high102 Ų10237.7 Ų37.739%0.38518%0.18SC..  trans-119.7-31.3-179.4-62.1-61.9-178.5-99.32.5112.4T229 K254 T255 T283 T285 E286T229-R257 WeakPolarHBondContact O-CA 3.36Å; T229-R257 WeakPolarHBondContact O-CB 3.34Å; T229-R257 PolarHBondContact O-N 3.37Å; K254-R257 PolarHBondContact O-NH1 3.2Å; T255-R257 VanDerWaalsContact C-NH1 3.28Å; T255-R257 PolarHBondContact O-NH1 2.7Å; R257-T283 WeakPolarHBondContact CD-O 3.49Å; R257-T285 PolarHBondContact O-N 3.08Å; R257-T285 PolarHBondContact O-OG1 3.19Å; R257-E286 PolarHBondContact O-N 3.36Å
258S98.2Very high96.3Very high18 Ų1838.4 Ų38.413%0.12619%0.188CC..EExtended strand (participates in β ladder)trans-133.6126.8-179.3-174.10000110.9T229 K230 F231 E286T229-S258 PolarHBondContact O-N 2.92Å; K230-S258 WeakPolarHBondContact CA-O 3.45Å; F231-S258 PolarHBondContact N-O 3.44Å; S258-E286 CarbonylContact C-O 3.58Å; S258-E286 VanDerWaalsContact CA-O 3.31Å; S258-E286 WeakPolarHBondContact CA-O 3.27Å
259L98.1Very high96.2Very high0 Ų038.3 Ų38.30%019%0.19CC..EExtended strand (participates in β ladder)trans-124.7123.1174.9178.560.4000110.1F231 L233 F246 L250 L256 L261 L284 E286 I287 K288F231-L259 HydrophobicContact CB-CD1 4.33Å; F231-L259 HydrophobicContact CD1-CD1 4.02Å; F231-L259 CarbonylContact O-C 3.59Å; F231-L259 WeakPolarHBondContact O-CA 3.46Å; L233-L259 HydrophobicContact CD2-CD1 4.15Å; F246-L259 HydrophobicContact CD1-CD1 3.83Å; F246-L259 HydrophobicContact CD1-CD2 4.24Å; F246-L259 HydrophobicContact CE1-CD1 3.94Å; L250-L259 HydrophobicContact CD1-CD2 3.99Å; L256-L259 HydrophobicContact CD2-CB 4.18Å; L256-L259 HydrophobicContact CD2-CD1 4.46Å; L259-L261 HydrophobicContact CD1-CG 4.34Å; L259-L261 HydrophobicContact CD2-CD1 3.92Å; L259-L261 HydrophobicContact CD2-CG 4.49Å; L259-L261 HydrophobicContact CG-CD1 4.15Å; L259-L261 HydrophobicContact CG-CG 4.21Å; L259-L284 HydrophobicContact CB-CD1 4.11Å; L259-L284 HydrophobicContact CB-CD2 4.31Å; L259-E286 PolarHBondContact N-O 3.37Å; L259-I287 HydrophobicContact CB-CG1 4.48Å; L259-I287 HydrophobicContact CD2-CD1 4.45Å; L259-I287 CarbonylContact O-C 3.52Å; L259-I287 VanDerWaalsContact O-CA 3.31Å; L259-I287 WeakPolarHBondContact O-CA 3.46Å; L259-K288 PolarHBondContact O-N 3.41Å
260N98.1Very high96Very high15 Ų1538.3 Ų38.38%0.0819%0.191CC..EExtended strand (participates in β ladder)trans-116.6118174.9-170.8-0000112.3F231 S232 L233 E262 K288F231-N260 PolarHBondContact O-N 3.44Å; S232-N260 WeakPolarHBondContact OG-CB 3.38Å; L233-N260 VanDerWaalsContact CD2-O 3.23Å; L233-N260 WeakPolarHBondContact CD2-O 3.25Å; L233-N260 PolarHBondContact N-O 3.01Å; N260-E262 PolarHBondContact ND2-OE2 3.41Å; N260-E262 VanDerWaalsContact OD1-CB 3.23Å; N260-E262 WeakPolarHBondContact OD1-CB 3.48Å; N260-E262 WeakPolarHBondContact OD1-CG 3.32Å; N260-E262 PolarHBondContact OD1-N 3.32Å; N260-E262 PolarHBondContact OD1-OE2 3.39Å; N260-K288 HydrophobicContact CB-CB 4.23Å; N260-K288 HydrophobicContact CB-CD 4.39Å; N260-K288 WeakPolarHBondContact OD1-CB 3.44Å
261L96.4Very high96Very high0 Ų038.4 Ų38.40%019%0.191CC..  trans-12017178.9-70.9164.4000112.1L233 L259 N264 I266 L274 K288 I289 Q292L233-L261 HydrophobicContact CD1-CD2 3.72Å; L233-L261 HydrophobicContact CD2-CD2 3.35Å; L233-L261 HydrophobicContact CD2-CG 4.04Å; L233-L261 HydrophobicContact CG-CD2 3.66Å; L259-L261 HydrophobicContact CD1-CG 4.34Å; L259-L261 HydrophobicContact CD2-CD1 3.92Å; L259-L261 HydrophobicContact CD2-CG 4.49Å; L259-L261 HydrophobicContact CG-CD1 4.15Å; L259-L261 HydrophobicContact CG-CG 4.21Å; L261-N264 PolarHBondContact O-ND2 2.6Å; L261-I266 HydrophobicContact CB-CD1 3.92Å; L261-I266 HydrophobicContact CD1-CD1 4.26Å; L261-I266 HydrophobicContact CD2-CD1 4.09Å; L261-I266 HydrophobicContact CG-CD1 4.34Å; L261-L274 HydrophobicContact CD1-CD1 3.73Å; L261-L274 HydrophobicContact CD1-CD2 4.19Å; L261-K288 WeakPolarHBondContact CA-O 3.41Å; L261-K288 PolarHBondContact N-O 2.75Å; L261-I289 HydrophobicContact CB-CG2 4.34Å; L261-Q292 PolarHBondContact O-NE2 2.91Å
262E95.8Very high95.9Very high49 Ų4937.5 Ų37.523%0.22919%0.191CC..  trans-57.7156.4-179.2-77.6164.2168.900113.8A234 A235 N260 N264 K288 D290A234-E262 VanDerWaalsContact CA-O 3.24Å; A234-E262 WeakPolarHBondContact CA-O 3.45Å; A234-E262 HydrophobicContact CB-CB 4.3Å; A235-E262 PolarHBondContact N-O 3.41Å; A235-E262 VanDerWaalsContact N-O 3.1Å; N260-E262 PolarHBondContact ND2-OE2 3.41Å; N260-E262 VanDerWaalsContact OD1-CB 3.23Å; N260-E262 WeakPolarHBondContact OD1-CB 3.48Å; N260-E262 WeakPolarHBondContact OD1-CG 3.32Å; N260-E262 PolarHBondContact OD1-N 3.32Å; N260-E262 PolarHBondContact OD1-OE2 3.39Å; E262-N264 VanDerWaalsContact C-N 3.28Å; E262-N264 PolarHBondContact O-N 2.84Å; E262-N264 PolarHBondContact O-ND2 3.34Å; E262-N264 VanDerWaalsContact O-ND2 3.16Å; E262-K288 HydrophobicContact CG-CB 3.85Å; E262-K288 WeakPolarHBondContact OE1-CB 3.29Å; E262-K288 WeakPolarHBondContact OE1-CD 3.27Å; E262-D290 VanDerWaalsContact CA-O 3.27Å; E262-D290 WeakPolarHBondContact CA-O 3.48Å; E262-D290 HydrophobicContact CG-CB 4.26Å
263S95.5Very high95.9Very high44 Ų4432.8 Ų32.831%0.30817%0.173SC..SBendtrans58.238.2170.9-53.90000113.6A235 D290 N291A235-S263 VanDerWaalsContact CA-O 3.31Å; A235-S263 WeakPolarHBondContact CA-O 3.42Å; S263-D290 PolarHBondContact N-O 2.85Å; S263-N291 VanDerWaalsContact CA-O 3.23Å; S263-N291 WeakPolarHBondContact CA-O 3.46Å; S263-N291 PolarHBondContact OG-ND2 3.34Å
264N95.8Very high95.9Very high2 Ų232.9 Ų32.91%0.01117%0.173CC..SBendtrans-116.8-168.3-179.8-79.5-55.7000111.5L233 T236 R237 S238 L261 E262 I266 Q292 R293L233-N264 PolarHBondContact O-ND2 3.22Å; T236-N264 PolarHBondContact N-OD1 3.46Å; T236-N264 PolarHBondContact OG1-OD1 2.93Å; R237-N264 PolarHBondContact N-OD1 3.33Å; R237-N264 VanDerWaalsContact N-OD1 3.16Å; S238-N264 PolarHBondContact N-OD1 3.33Å; L261-N264 PolarHBondContact O-ND2 2.6Å; E262-N264 VanDerWaalsContact C-N 3.28Å; E262-N264 PolarHBondContact O-N 2.84Å; E262-N264 PolarHBondContact O-ND2 3.34Å; E262-N264 VanDerWaalsContact O-ND2 3.16Å; N264-I266 HydrophobicContact CB-CD1 4.39Å; N264-I266 HydrophobicContact CB-CG1 4.22Å; N264-Q292 CarbonylContact O-C 3.59Å; N264-Q292 WeakPolarHBondContact O-CA 3.4Å; N264-Q292 PolarHBondContact O-OE1 2.8Å; N264-Q292 VanDerWaalsContact O-OE1 3.11Å; N264-R293 PolarHBondContact O-N 3.39Å
265F95.4Very high95.8Very high83 Ų8328.5 Ų28.536%0.36415%0.154SC..BIsolated β-bridgetrans-113.433.2-175.9-62.2-116.2000110.1R237 S238 R293R237-F265 HydrophobicContact CB-CD2 4.15Å; R237-F265 HydrophobicContact CB-CE2 3.9Å; R237-F265 HydrophobicContact CG-CE2 3.79Å; R237-F265 HydrophobicContact CG-CZ 4.4Å; S238-F265 CarbonylContact O-C 3.58Å; S238-F265 WeakPolarHBondContact O-CA 3.36Å; S238-F265 WeakPolarHBondContact O-CB 3.45Å; S238-F265 PolarHBondContact O-N 3Å; F265-R293 HydrophobicContact CD1-CB 4.08Å; F265-R293 HydrophobicContact CD1-CG 4.26Å; F265-R293 HydrophobicContact CE1-CB 4.49Å; F265-R293 HydrophobicContact CE1-CG 4.41Å; F265-R293 HydrophobicContact CG-CB 4.34Å
266I95.5Very high95.7Very high1 Ų132.2 Ų32.21%0.00517%0.17CC..  trans-81.4128.3178.7-54.4171.3000108D240 A243 L261 N264 V271 Q292D240-I266 WeakPolarHBondContact OD1-CA 3.47Å; A243-I266 HydrophobicContact CB-CD1 4.16Å; A243-I266 HydrophobicContact CB-CG1 4.29Å; A243-I266 HydrophobicContact CB-CG2 3.76Å; L261-I266 HydrophobicContact CB-CD1 3.92Å; L261-I266 HydrophobicContact CD1-CD1 4.26Å; L261-I266 HydrophobicContact CD2-CD1 4.09Å; L261-I266 HydrophobicContact CG-CD1 4.34Å; N264-I266 HydrophobicContact CB-CD1 4.39Å; N264-I266 HydrophobicContact CB-CG1 4.22Å; I266-V271 HydrophobicContact CG2-CG2 3.87Å; I266-Q292 VanDerWaalsContact N-OE1 3.13Å; I266-Q292 WeakPolarHBondContact O-CB 3.26Å
267T94.9Very high95.6Very high39 Ų3932.2 Ų32.224%0.23917%0.17CC..  trans-94.8177.2179.4790000110.9D240 T269 G270 V271D240-T267 PolarHBondContact OD1-N 3.47Å; D240-T267 PolarHBondContact OD1-OG1 3.47Å; D240-T267 PolarHBondContact OD2-OG1 3.02Å; T267-T269 PolarHBondContact O-N 3.47Å; T267-T269 VanDerWaalsContact O-N 3.16Å; T267-T269 PolarHBondContact OG1-N 2.92Å; T267-T269 PolarHBondContact OG1-OG1 2.88Å; T267-G270 PolarHBondContact O-N 2.81Å; T267-V271 PolarHBondContact O-N 3.36Å
268G93.1Very high95.5Very high16 Ų1627.4 Ų27.417%0.16515%0.152CC..Hα-helixtrans-55.4-30.4176.600000113.8Q272G268-Q272 VanDerWaalsContact O-CG 3.25Å; G268-Q272 WeakPolarHBondContact O-CG 3.4Å; G268-Q272 PolarHBondContact O-N 2.71Å
269T93.3Very high95.2Very high81 Ų8131.1 Ų31.150%0.49716%0.163SC..Hα-helixtrans-71.2-4417859.50000111.8D240 T267 V271 Q272 S273D240-T269 PolarHBondContact OD2-OG1 3.25Å; D240-T269 VanDerWaalsContact OD2-OG1 3.14Å; T267-T269 PolarHBondContact O-N 3.47Å; T267-T269 VanDerWaalsContact O-N 3.16Å; T267-T269 PolarHBondContact OG1-N 2.92Å; T267-T269 PolarHBondContact OG1-OG1 2.88Å; T269-V271 VanDerWaalsContact C-N 3.3Å; T269-V271 PolarHBondContact O-N 3.03Å; T269-Q272 WeakPolarHBondContact O-CB 3.48Å; T269-Q272 PolarHBondContact O-N 3.17Å; T269-S273 PolarHBondContact O-N 3.39Å; T269-S273 PolarHBondContact O-OG 3.5Å
270G94.5Very high94.8Very high1 Ų136.5 Ų36.51%0.0119%0.192CC..Hα-helixtrans-63.3-37.817500000112T267 S273 L274T267-G270 PolarHBondContact O-N 2.81Å; G270-S273 PolarHBondContact O-N 2.91Å; G270-L274 PolarHBondContact O-N 3.08Å
271V95.2Very high94.7Very high2 Ų235.9 Ų35.91%0.01219%0.188CC..Hα-helixtrans-68.5-37.6174.1177.70000112I266 T267 T269 S273 L274 V275 I289 L296 I304I266-V271 HydrophobicContact CG2-CG2 3.87Å; T267-V271 PolarHBondContact O-N 3.36Å; T269-V271 VanDerWaalsContact C-N 3.3Å; T269-V271 PolarHBondContact O-N 3.03Å; V271-S273 VanDerWaalsContact C-N 3.32Å; V271-S273 PolarHBondContact O-N 3.34Å; V271-L274 WeakPolarHBondContact O-CB 3.35Å; V271-L274 PolarHBondContact O-N 2.83Å; V271-L274 VanDerWaalsContact O-N 3.13Å; V271-V275 HydrophobicContact CG1-CG2 4.01Å; V271-V275 WeakPolarHBondContact O-CB 3.28Å; V271-V275 VanDerWaalsContact O-CG2 3.23Å; V271-V275 WeakPolarHBondContact O-CG2 3.31Å; V271-V275 PolarHBondContact O-N 3.13Å; V271-I289 HydrophobicContact CG1-CD1 3.73Å; V271-I289 HydrophobicContact CG2-CD1 4.19Å; V271-L296 HydrophobicContact CB-CD1 4.28Å; V271-L296 HydrophobicContact CB-CD2 4.32Å; V271-L296 HydrophobicContact CG1-CD1 4.06Å; V271-L296 HydrophobicContact CG2-CD1 3.87Å; V271-L296 HydrophobicContact CG2-CD2 3.57Å; V271-L296 HydrophobicContact CG2-CG 4.38Å; V271-I304 HydrophobicContact CG1-CD1 3.82Å; V271-I304 HydrophobicContact CG1-CG1 4.09Å
272Q94.3Very high94.6Very high76 Ų7641.4 Ų41.436%0.35522%0.218SC..Hα-helixtrans-57.3-44.7174-79.3170.4-12.500111.8G268 T269 L274 V275 E276G268-Q272 VanDerWaalsContact O-CG 3.25Å; G268-Q272 WeakPolarHBondContact O-CG 3.4Å; G268-Q272 PolarHBondContact O-N 2.71Å; T269-Q272 WeakPolarHBondContact O-CB 3.48Å; T269-Q272 PolarHBondContact O-N 3.17Å; Q272-L274 VanDerWaalsContact C-N 3.31Å; Q272-L274 PolarHBondContact O-N 3.49Å; Q272-V275 PolarHBondContact O-N 2.83Å; Q272-E276 WeakPolarHBondContact O-CG 3.33Å; Q272-E276 PolarHBondContact O-N 2.8Å
273S95.9Very high94.5Very high34 Ų3440 Ų4024%0.23821%0.212CC..Hα-helixtrans-59.6-41.7175-57.60000112.5S247 T269 G270 V271 E276 A277S247-S273 WeakPolarHBondContact CB-O 3.42Å; S247-S273 PolarHBondContact OG-O 3.23Å; T269-S273 PolarHBondContact O-N 3.39Å; T269-S273 PolarHBondContact O-OG 3.5Å; G270-S273 PolarHBondContact O-N 2.91Å; V271-S273 VanDerWaalsContact C-N 3.32Å; V271-S273 PolarHBondContact O-N 3.34Å; S273-E276 PolarHBondContact O-N 3.04Å; S273-A277 PolarHBondContact O-N 2.8Å; S273-A277 VanDerWaalsContact O-N 3.13Å
274L95.7Very high94.6Very high2 Ų237.9 Ų37.91%0.0120%0.198CC..Hα-helixtrans-62.8-46.1176.2-72.7166.6000110.8A243 F246 S247 L250 L261 G270 V271 Q272 E276 A277 L278 I289A243-L274 HydrophobicContact CB-CD1 4.11Å; A243-L274 HydrophobicContact CB-CG 4.34Å; F246-L274 HydrophobicContact CB-CD2 4.31Å; S247-L274 VanDerWaalsContact OG-CA 3.26Å; S247-L274 WeakPolarHBondContact OG-CA 3.4Å; S247-L274 WeakPolarHBondContact OG-CD2 3.39Å; S247-L274 WeakPolarHBondContact OG-CG 3.3Å; S247-L274 PolarHBondContact OG-N 2.86Å; L250-L274 HydrophobicContact CD1-CD2 4.12Å; L261-L274 HydrophobicContact CD1-CD1 3.73Å; L261-L274 HydrophobicContact CD1-CD2 4.19Å; G270-L274 PolarHBondContact O-N 3.08Å; V271-L274 WeakPolarHBondContact O-CB 3.35Å; V271-L274 PolarHBondContact O-N 2.83Å; V271-L274 VanDerWaalsContact O-N 3.13Å; Q272-L274 VanDerWaalsContact C-N 3.31Å; Q272-L274 PolarHBondContact O-N 3.49Å; L274-E276 VanDerWaalsContact C-N 3.34Å; L274-E276 PolarHBondContact O-N 3.19Å; L274-A277 PolarHBondContact O-N 2.9Å; L274-A277 VanDerWaalsContact O-N 3.17Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 2.92Å; L274-I289 HydrophobicContact CD1-CG2 4.44Å
275V94.6Very high94.7Very high4 Ų440.4 Ų40.42%0.02421%0.213CC..Hα-helixtrans-60.5-42.7179.41720000111.3V271 Q272 A277 L278 R279 E303 I304 M307V271-V275 HydrophobicContact CG1-CG2 4.01Å; V271-V275 WeakPolarHBondContact O-CB 3.28Å; V271-V275 VanDerWaalsContact O-CG2 3.23Å; V271-V275 WeakPolarHBondContact O-CG2 3.31Å; V271-V275 PolarHBondContact O-N 3.13Å; Q272-V275 PolarHBondContact O-N 2.83Å; V275-A277 VanDerWaalsContact C-N 3.32Å; V275-A277 PolarHBondContact O-N 3.05Å; V275-L278 PolarHBondContact O-N 3.07Å; V275-R279 PolarHBondContact O-N 3.3Å; V275-E303 HydrophobicContact CG1-CG 4.07Å; V275-I304 HydrophobicContact CG2-CB 4.42Å; V275-I304 HydrophobicContact CG2-CG1 3.59Å; V275-M307 HydrophobicContact CG1-CB 3.38Å; V275-M307 HydrophobicContact CG1-CE 4.26Å; V275-M307 HydrophobicContact CG1-CG 3.74Å; V275-M307 HydrophobicContact CG2-CE 4.31Å; V275-M307 WeakPolarHBondContact O-CG 3.47Å
276E94.5Very high94.8Very high108 Ų10838 Ų3851%0.50520%0.203SC..Hα-helixtrans-63.6-36.3175.9-72.3178.6178.900113R251 Q272 S273 L274R251-E276 PolarHBondContact NH1-O 3.24Å; Q272-E276 WeakPolarHBondContact O-CG 3.33Å; Q272-E276 PolarHBondContact O-N 2.8Å; S273-E276 PolarHBondContact O-N 3.04Å; L274-E276 VanDerWaalsContact C-N 3.34Å; L274-E276 PolarHBondContact O-N 3.19Å
277A95.4Very high94.9Very high0 Ų038 Ų380%020%0.203CC..Hα-helixtrans-71.7-36.2175.800000112.4S247 L250 R251 S273 L274 V275 R279 N281S247-A277 WeakPolarHBondContact O-CB 3.44Å; L250-A277 HydrophobicContact CB-CB 4.18Å; R251-A277 HydrophobicContact CG-CB 3.96Å; S273-A277 PolarHBondContact O-N 2.8Å; S273-A277 VanDerWaalsContact O-N 3.13Å; L274-A277 PolarHBondContact O-N 2.9Å; L274-A277 VanDerWaalsContact O-N 3.17Å; V275-A277 VanDerWaalsContact C-N 3.32Å; V275-A277 PolarHBondContact O-N 3.05Å; A277-R279 VanDerWaalsContact C-N 3.29Å; A277-R279 PolarHBondContact O-N 3.45Å; A277-N281 PolarHBondContact O-N 3.26Å
278L95.3Very high95Very high1 Ų139.2 Ų39.21%0.00521%0.205CC..Hα-helixtrans-69.6-24.1-179.8-70.5171.7000113.5L250 L274 V275 D280 N281 L284 I287 M307 N311 I314L250-L278 HydrophobicContact CD1-CD2 4.04Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 2.92Å; V275-L278 PolarHBondContact O-N 3.07Å; L278-D280 PolarHBondContact O-N 2.93Å; L278-N281 PolarHBondContact O-N 2.92Å; L278-L284 HydrophobicContact CD2-CB 4.48Å; L278-L284 HydrophobicContact CD2-CD2 3.5Å; L278-L284 VanDerWaalsContact CD2-CD2 3.5Å; L278-I287 HydrophobicContact CD1-CD1 3.74Å; L278-I287 HydrophobicContact CD1-CG2 4.37Å; L278-M307 HydrophobicContact CB-CE 3.89Å; L278-M307 HydrophobicContact CB-CG 4.37Å; L278-M307 HydrophobicContact CB-SD 3.72Å; L278-M307 HydrophobicContact CD1-CE 3.67Å; L278-M307 HydrophobicContact CG-CE 4.47Å; L278-N311 PolarHBondContact O-ND2 2.9Å; L278-I314 HydrophobicContact CB-CD1 4.27Å; L278-I314 HydrophobicContact CD1-CD1 4.13Å; L278-I314 HydrophobicContact CD2-CD1 4.17Å; L278-I314 HydrophobicContact CG-CD1 4.42Å
279R92.9Very high95.1Very high95 Ų9538.6 Ų38.636%0.35820%0.198SC..THydrogen-bonded Turntrans-55.5-40.2178.3-172.5178.3-66.7-1731.5112.2V275 A277 E303 M307 Q310V275-R279 PolarHBondContact O-N 3.3Å; A277-R279 VanDerWaalsContact C-N 3.29Å; A277-R279 PolarHBondContact O-N 3.45Å; R279-E303 IonicContact NH2-OE1 3.87Å; R279-E303 PolarHBondContact NH2-OE1 3.37Å; R279-M307 HydrophobicContact CB-CG 4.39Å; R279-Q310 VanDerWaalsContact NE-OE1 3.09Å
280D89.6Confident95.2Very high114 Ų11437.3 Ų37.361%0.6119%0.188SC*.SBendtrans-101.4-3.8-176.7-54.5-41.7000112.9R251 L278R251-D280 IonicContact NH1-OD2 2.74Å; L278-D280 PolarHBondContact O-N 2.93Å
281N94.4Very high95.2Very high2 Ų242.7 Ų42.71%0.01122%0.217CC..  trans-88.3113.7178-170-70.7000111.4L250 N253 A277 L278 T283 L284 N311 S313L250-N281 PolarHBondContact O-ND2 3.42Å; N253-N281 PolarHBondContact O-ND2 3.09Å; A277-N281 PolarHBondContact O-N 3.26Å; L278-N281 PolarHBondContact O-N 2.92Å; N281-T283 PolarHBondContact ND2-OG1 3.1Å; N281-T283 WeakPolarHBondContact OD1-CA 3.29Å; N281-T283 PolarHBondContact OD1-N 3.23Å; N281-T283 PolarHBondContact OD1-OG1 3.49Å; N281-L284 WeakPolarHBondContact OD1-CB 3.44Å; N281-L284 PolarHBondContact OD1-N 2.89Å; N281-N311 PolarHBondContact O-ND2 2.79Å; N281-S313 PolarHBondContact O-OG 3.15Å
282D94.1Very high95.2Very high116 Ų11643.6 Ų43.662%0.6222%0.221SC*.SBendtrans-97.35179.762.9-19.1000113.7S313D282-S313 VanDerWaalsContact C-CB 3.42Å; D282-S313 WeakPolarHBondContact O-CB 3.48Å
283T95.6Very high95.1Very high18 Ų1848.7 Ų48.711%0.1124%0.237CC..SBendtrans-108.6-34.7-170.166.80000113.8K254 L256 R257 N281K254-T283 HydrophobicContact CB-CG2 3.84Å; K254-T283 HydrophobicContact CD-CG2 3.86Å; K254-T283 HydrophobicContact CG-CG2 4.43Å; K254-T283 WeakPolarHBondContact O-CG2 3.4Å; L256-T283 CarbonylContact O-C 3.47Å; R257-T283 WeakPolarHBondContact CD-O 3.49Å; N281-T283 PolarHBondContact ND2-OG1 3.1Å; N281-T283 WeakPolarHBondContact OD1-CA 3.29Å; N281-T283 PolarHBondContact OD1-N 3.23Å; N281-T283 PolarHBondContact OD1-OG1 3.49Å
284L97Very high94.9Very high1 Ų152.6 Ų52.61%0.00525%0.251CS..  trans-73.8128.9179.9-163.875.7000110L250 L256 L259 L278 N281 I287 S313L250-L284 HydrophobicContact CD2-CD1 4.28Å; L250-L284 HydrophobicContact CD2-CD2 4.04Å; L256-L284 HydrophobicContact CB-CD1 4.36Å; L256-L284 HydrophobicContact CD2-CD1 4.05Å; L256-L284 HydrophobicContact CG-CD1 3.91Å; L259-L284 HydrophobicContact CB-CD1 4.11Å; L259-L284 HydrophobicContact CB-CD2 4.31Å; L278-L284 HydrophobicContact CD2-CB 4.48Å; L278-L284 HydrophobicContact CD2-CD2 3.5Å; L278-L284 VanDerWaalsContact CD2-CD2 3.5Å; N281-L284 WeakPolarHBondContact OD1-CB 3.44Å; N281-L284 PolarHBondContact OD1-N 2.89Å; L284-I287 HydrophobicContact CD2-CB 3.94Å; L284-I287 HydrophobicContact CD2-CD1 4.42Å; L284-I287 HydrophobicContact CD2-CG1 4.45Å; L284-S313 CarbonylContact O-C 3.58Å; L284-S313 PolarHBondContact O-OG 3.43Å
285T96.9Very high94.6Very high54 Ų5460.2 Ų60.233%0.33129%0.287SS..  trans-109.6-26.5-176.659.80000113R257 V315 K316R257-T285 PolarHBondContact O-N 3.08Å; R257-T285 PolarHBondContact O-OG1 3.19Å; T285-V315 PolarHBondContact O-N 3.45Å; T285-K316 PolarHBondContact O-N 2.89Å
286E97.6Very high94.3Very high32 Ų3260.6 Ų60.615%0.1529%0.289CS..EExtended strand (participates in β ladder)trans-134.3126.4-179.3178.8170.1172.200109.5R257 S258 L259 K288 K316R257-E286 PolarHBondContact O-N 3.36Å; S258-E286 CarbonylContact C-O 3.58Å; S258-E286 VanDerWaalsContact CA-O 3.31Å; S258-E286 WeakPolarHBondContact CA-O 3.27Å; L259-E286 PolarHBondContact N-O 3.37Å; E286-K288 WeakPolarHBondContact OE1-CE 3.46Å; E286-K288 IonicContact OE1-NZ 4Å; E286-K288 PolarHBondContact OE1-NZ 3.36Å; E286-K316 WeakPolarHBondContact CA-O 3.35Å; E286-K316 HydrophobicContact CB-CB 4.1Å; E286-K316 HydrophobicContact CG-CB 3.88Å; E286-K316 HydrophobicContact CG-CD 4.34Å; E286-K316 IonicContact OE2-NZ 2.81Å
287I97.4Very high94.1Very high2 Ų256.9 Ų56.91%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-130.9136.7168.4-170.5174.1000109.6L259 L278 L284 I289 K316 F317 G318L259-I287 HydrophobicContact CB-CG1 4.48Å; L259-I287 HydrophobicContact CD2-CD1 4.45Å; L259-I287 CarbonylContact O-C 3.52Å; L259-I287 VanDerWaalsContact O-CA 3.31Å; L259-I287 WeakPolarHBondContact O-CA 3.46Å; L278-I287 HydrophobicContact CD1-CD1 3.74Å; L278-I287 HydrophobicContact CD1-CG2 4.37Å; L284-I287 HydrophobicContact CD2-CB 3.94Å; L284-I287 HydrophobicContact CD2-CD1 4.42Å; L284-I287 HydrophobicContact CD2-CG1 4.45Å; I287-I289 HydrophobicContact CD1-CG2 4.1Å; I287-I289 HydrophobicContact CG1-CG2 4.07Å; I287-K316 PolarHBondContact N-O 2.79Å; I287-F317 HydrophobicContact CG2-CD2 3.29Å; I287-F317 HydrophobicContact CG2-CE2 3.5Å; I287-F317 HydrophobicContact CG2-CG 4.29Å; I287-F317 CarbonylContact O-C 3.6Å; I287-F317 WeakPolarHBondContact O-CA 3.42Å; I287-G318 PolarHBondContact O-N 2.89Å
288K97.4Very high93.9Very high65 Ų6560.5 Ų60.528%0.28330%0.302SS..EExtended strand (participates in β ladder)trans-126.2121.1178.8-74172.2161.4154.60109.6L259 N260 L261 E262 E286L259-K288 PolarHBondContact O-N 3.41Å; N260-K288 HydrophobicContact CB-CB 4.23Å; N260-K288 HydrophobicContact CB-CD 4.39Å; N260-K288 WeakPolarHBondContact OD1-CB 3.44Å; L261-K288 WeakPolarHBondContact CA-O 3.41Å; L261-K288 PolarHBondContact N-O 2.75Å; E262-K288 HydrophobicContact CG-CB 3.85Å; E262-K288 WeakPolarHBondContact OE1-CB 3.29Å; E262-K288 WeakPolarHBondContact OE1-CD 3.27Å; E286-K288 WeakPolarHBondContact OE1-CE 3.46Å; E286-K288 IonicContact OE1-NZ 4Å; E286-K288 PolarHBondContact OE1-NZ 3.36Å
289I96.1Very high93.8Very high3 Ų365.6 Ų65.62%0.01533%0.333CS..  trans-132.915.2-177.761169.6000111.8L261 V271 L274 I287 Q292 L296 I304 F317 G318 Y319L261-I289 HydrophobicContact CB-CG2 4.34Å; V271-I289 HydrophobicContact CG1-CD1 3.73Å; V271-I289 HydrophobicContact CG2-CD1 4.19Å; L274-I289 HydrophobicContact CD1-CG2 4.44Å; I287-I289 HydrophobicContact CD1-CG2 4.1Å; I287-I289 HydrophobicContact CG1-CG2 4.07Å; I289-Q292 VanDerWaalsContact O-CG 3.29Å; I289-Q292 WeakPolarHBondContact O-CG 3.16Å; I289-Q292 PolarHBondContact O-NE2 3.19Å; I289-L296 HydrophobicContact CD1-CD1 4.2Å; I289-I304 HydrophobicContact CD1-CD1 4.32Å; I289-F317 HydrophobicContact CD1-CE1 4.12Å; I289-F317 HydrophobicContact CD1-CZ 3.65Å; I289-F317 HydrophobicContact CG1-CE1 4.36Å; I289-F317 HydrophobicContact CG1-CZ 4.18Å; I289-G318 PolarHBondContact N-O 3.41Å; I289-Y319 HydrophobicContact CG1-CD2 4.25Å; I289-Y319 HydrophobicContact CG1-CG 4.42Å
290D94.9Very high93.8Very high53 Ų5361.2 Ų61.228%0.28332%0.317SS..  trans-72.8169.2-175-149.4-2.1000113.4E262 S263 Q292 G318 H320E262-D290 VanDerWaalsContact CA-O 3.27Å; E262-D290 WeakPolarHBondContact CA-O 3.48Å; E262-D290 HydrophobicContact CG-CB 4.26Å; S263-D290 PolarHBondContact N-O 2.85Å; D290-Q292 VanDerWaalsContact C-N 3.29Å; D290-Q292 PolarHBondContact O-N 3.44Å; D290-Q292 PolarHBondContact O-NE2 3.22Å; D290-G318 PolarHBondContact N-O 2.99Å; D290-H320 PolarHBondContact OD1-N 3.14Å; D290-H320 PolarHBondContact OD2-N 3.17Å
291N95.1Very high94Very high114 Ų11455.8 Ų55.861%0.6129%0.288SS*.SBendtrans56.436.7176.2-166.337.1000113.9S263S263-N291 VanDerWaalsContact CA-O 3.23Å; S263-N291 WeakPolarHBondContact CA-O 3.46Å; S263-N291 PolarHBondContact OG-ND2 3.34Å
292Q95Very high94Very high22 Ų2259.6 Ų59.610%0.10331%0.307CS..  trans-67.3155.3171.7-57.3-55.1-43.300110.6L261 N264 I266 I289 D290 Q294 L296L261-Q292 PolarHBondContact O-NE2 2.91Å; N264-Q292 CarbonylContact O-C 3.59Å; N264-Q292 WeakPolarHBondContact O-CA 3.4Å; N264-Q292 PolarHBondContact O-OE1 2.8Å; N264-Q292 VanDerWaalsContact O-OE1 3.11Å; I266-Q292 VanDerWaalsContact N-OE1 3.13Å; I266-Q292 WeakPolarHBondContact O-CB 3.26Å; I289-Q292 VanDerWaalsContact O-CG 3.29Å; I289-Q292 WeakPolarHBondContact O-CG 3.16Å; I289-Q292 PolarHBondContact O-NE2 3.19Å; D290-Q292 VanDerWaalsContact C-N 3.29Å; D290-Q292 PolarHBondContact O-N 3.44Å; D290-Q292 PolarHBondContact O-NE2 3.22Å; Q292-Q294 PolarHBondContact O-N 3.45Å; Q292-Q294 VanDerWaalsContact O-N 3.11Å; Q292-L296 HydrophobicContact CG-CD2 4.42Å
293R92.2Very high94.1Very high183 Ų18356.7 Ų56.769%0.69129%0.289SS*.SBendtrans-54.3-33178.2178.4170.9-178-137.26.1113.6N264 F265N264-R293 PolarHBondContact O-N 3.39Å; F265-R293 HydrophobicContact CD1-CB 4.08Å; F265-R293 HydrophobicContact CD1-CG 4.26Å; F265-R293 HydrophobicContact CE1-CB 4.49Å; F265-R293 HydrophobicContact CE1-CG 4.41Å; F265-R293 HydrophobicContact CG-CB 4.34Å
294Q90.1Very high94.1Very high115 Ų11555.9 Ų55.954%0.53728%0.284SS..SBendtrans-122.6148.2178.8-66-176.8-0.400109.8Q292Q292-Q294 PolarHBondContact O-N 3.45Å; Q292-Q294 VanDerWaalsContact O-N 3.11Å
295Q89.7Confident94Very high163 Ų16355.9 Ų55.976%0.76228%0.284SS*.  trans-64138169.1-67.8-177.4-34.800109.7G297Q295-G297 PolarHBondContact O-N 2.93Å
296L89.5Confident94Very high12 Ų1257.5 Ų57.56%0.06329%0.287CS..  trans-69.1-24.9-175.9-58.1-178.2000113V271 I289 Q292 A300 I304 Y319V271-L296 HydrophobicContact CB-CD1 4.28Å; V271-L296 HydrophobicContact CB-CD2 4.32Å; V271-L296 HydrophobicContact CG1-CD1 4.06Å; V271-L296 HydrophobicContact CG2-CD1 3.87Å; V271-L296 HydrophobicContact CG2-CD2 3.57Å; V271-L296 HydrophobicContact CG2-CG 4.38Å; I289-L296 HydrophobicContact CD1-CD1 4.2Å; Q292-L296 HydrophobicContact CG-CD2 4.42Å; L296-A300 HydrophobicContact CB-CB 3.94Å; L296-A300 WeakPolarHBondContact O-CB 3.39Å; L296-I304 HydrophobicContact CD1-CD1 3.97Å; L296-Y319 HydrophobicContact CD1-CD2 3.93Å; L296-Y319 HydrophobicContact CD1-CE1 4.44Å; L296-Y319 HydrophobicContact CD1-CE2 3.36Å; L296-Y319 HydrophobicContact CG-CE2 3.82Å
297G89.9Confident93.9Very high30 Ų3056 Ų5631%0.30928%0.279SS..  trans86.9157.8-178.900000113.8Q295 T299 A300 E301Q295-G297 PolarHBondContact O-N 2.93Å; G297-T299 VanDerWaalsContact C-N 3.3Å; G297-T299 PolarHBondContact O-N 3.11Å; G297-A300 PolarHBondContact O-N 3.24Å; G297-E301 PolarHBondContact O-N 3.39Å; G297-E301 VanDerWaalsContact O-N 3.09Å
298T91.8Very high93.9Very high76 Ų7655.9 Ų55.947%0.46628%0.279SS..Hα-helixtrans-58.4-36.1-173.3-54.70000114E301 M302 Q323T298-E301 PolarHBondContact O-N 2.95Å; T298-M302 WeakPolarHBondContact O-CG 3.47Å; T298-M302 PolarHBondContact O-N 3.15Å; T298-Q323 HydrophobicContact CG2-CG 4.01Å
299T91.8Very high93.7Very high108 Ų10856.3 Ų56.366%0.66328%0.282SS*.Hα-helixtrans-66.3-43.3179.849.80000111.8G297 M302 E303G297-T299 VanDerWaalsContact C-N 3.3Å; G297-T299 PolarHBondContact O-N 3.11Å; T299-M302 PolarHBondContact O-N 3.15Å; T299-E303 PolarHBondContact O-N 3.16Å
300A92.8Very high93.7Very high2 Ų260.7 Ų60.72%0.01730%0.302CS..Hα-helixtrans-65-43.5175.100000111.1L296 G297 M302 E303 I304L296-A300 HydrophobicContact CB-CB 3.94Å; L296-A300 WeakPolarHBondContact O-CB 3.39Å; G297-A300 PolarHBondContact O-N 3.24Å; A300-M302 VanDerWaalsContact C-N 3.33Å; A300-M302 PolarHBondContact O-N 3.47Å; A300-E303 PolarHBondContact O-N 3.29Å; A300-I304 VanDerWaalsContact O-CG1 3.27Å; A300-I304 WeakPolarHBondContact O-CG1 3.41Å; A300-I304 PolarHBondContact O-N 2.96Å
301E94.6Very high93.6Very high0 Ų058.5 Ų58.50%029%0.29CS..Hα-helixtrans-59.2-41.5177.2-69.4-165.5177.200113.1G297 T298 I304 A305 Y319 F321 T322 Q323 P326G297-E301 PolarHBondContact O-N 3.39Å; G297-E301 VanDerWaalsContact O-N 3.09Å; T298-E301 PolarHBondContact O-N 2.95Å; E301-I304 PolarHBondContact O-N 2.93Å; E301-A305 PolarHBondContact O-N 3.18Å; E301-Y319 HydrophobicContact CG-CE1 3.8Å; E301-Y319 PolarHBondContact OE1-OH 2.84Å; E301-F321 HydrophobicContact CB-CD1 4.06Å; E301-F321 HydrophobicContact CB-CE1 4.41Å; E301-F321 HydrophobicContact CG-CD1 4.14Å; E301-T322 VanDerWaalsContact CD-OG1 3.23Å; E301-T322 WeakPolarHBondContact OE1-CB 3.43Å; E301-T322 PolarHBondContact OE1-N 3.36Å; E301-T322 PolarHBondContact OE1-OG1 3.1Å; E301-T322 PolarHBondContact OE2-N 3.31Å; E301-T322 PolarHBondContact OE2-OG1 3.46Å; E301-Q323 PolarHBondContact OE2-N 3.26Å; E301-P326 HydrophobicContact CB-CB 4.04Å; E301-P326 HydrophobicContact CB-CG 4.02Å
302M94.8Very high93.6Very high83 Ų8356.6 Ų56.641%0.40928%0.28SS..Hα-helixtrans-64.4-40.5176.8-75.7-68.5-64.500112.3T298 T299 A300 A305 K306 P326T298-M302 WeakPolarHBondContact O-CG 3.47Å; T298-M302 PolarHBondContact O-N 3.15Å; T299-M302 PolarHBondContact O-N 3.15Å; A300-M302 VanDerWaalsContact C-N 3.33Å; A300-M302 PolarHBondContact O-N 3.47Å; M302-A305 PolarHBondContact O-N 3.46Å; M302-K306 WeakPolarHBondContact O-CB 3.44Å; M302-K306 PolarHBondContact O-N 2.88Å; M302-P326 HydrophobicContact CG-CG 4.04Å; M302-P326 HydrophobicContact SD-CG 3.57Å; M302-P326 VanDerWaalsContact SD-CG 3.57Å
303E94.9Very high93.6Very high55 Ų5556.4 Ų56.426%0.25728%0.282SS..Hα-helixtrans-70.4-38178.2-16759.2-152.500111.6V275 R279 T299 A300 A305 K306 M307V275-E303 HydrophobicContact CG1-CG 4.07Å; R279-E303 IonicContact NH2-OE1 3.87Å; R279-E303 PolarHBondContact NH2-OE1 3.37Å; T299-E303 PolarHBondContact O-N 3.16Å; A300-E303 PolarHBondContact O-N 3.29Å; E303-A305 PolarHBondContact O-N 3.29Å; E303-K306 PolarHBondContact O-N 3.44Å; E303-M307 WeakPolarHBondContact O-CB 3.38Å; E303-M307 PolarHBondContact O-N 2.84Å
304I96.1Very high93.8Very high1 Ų147.7 Ų47.71%0.00525%0.249CC..Hα-helixtrans-56.2-51.4171.4-68.7165.1000110.1V271 V275 I289 L296 A300 E301 K306 M307 L308 F317 F321V271-I304 HydrophobicContact CG1-CD1 3.82Å; V271-I304 HydrophobicContact CG1-CG1 4.09Å; V275-I304 HydrophobicContact CG2-CB 4.42Å; V275-I304 HydrophobicContact CG2-CG1 3.59Å; I289-I304 HydrophobicContact CD1-CD1 4.32Å; L296-I304 HydrophobicContact CD1-CD1 3.97Å; A300-I304 VanDerWaalsContact O-CG1 3.27Å; A300-I304 WeakPolarHBondContact O-CG1 3.41Å; A300-I304 PolarHBondContact O-N 2.96Å; E301-I304 PolarHBondContact O-N 2.93Å; I304-K306 VanDerWaalsContact C-N 3.33Å; I304-K306 PolarHBondContact O-N 3.12Å; I304-M307 PolarHBondContact O-N 2.8Å; I304-L308 HydrophobicContact CG2-CD1 3.98Å; I304-L308 HydrophobicContact CG2-CG 4.44Å; I304-L308 WeakPolarHBondContact O-CG 3.31Å; I304-L308 PolarHBondContact O-N 2.93Å; I304-F317 HydrophobicContact CB-CZ 4.5Å; I304-F317 HydrophobicContact CD1-CZ 4.41Å; I304-F317 HydrophobicContact CG1-CZ 4.4Å; I304-F317 HydrophobicContact CG2-CD1 4.32Å; I304-F317 HydrophobicContact CG2-CE1 3.46Å; I304-F317 VanDerWaalsContact CG2-CE1 3.46Å; I304-F317 HydrophobicContact CG2-CE2 4.07Å; I304-F317 HydrophobicContact CG2-CZ 3.31Å; I304-F321 HydrophobicContact CB-CE1 4.26Å; I304-F321 HydrophobicContact CB-CZ 4.49Å; I304-F321 HydrophobicContact CG2-CE1 3.9Å; I304-F321 HydrophobicContact CG2-CZ 3.65Å
305A96Very high94.1Very high0 Ų043.4 Ų43.40%023%0.23CC..Hα-helixtrans-60.9-42.6-179.200000111.8E301 M302 E303 M307 L308 E309 P326 R329E301-A305 PolarHBondContact O-N 3.18Å; M302-A305 PolarHBondContact O-N 3.46Å; E303-A305 PolarHBondContact O-N 3.29Å; A305-M307 PolarHBondContact O-N 3.08Å; A305-L308 PolarHBondContact O-N 3.27Å; A305-E309 WeakPolarHBondContact O-CG 3.46Å; A305-E309 PolarHBondContact O-N 3.29Å; A305-E309 VanDerWaalsContact O-N 3.14Å; A305-P326 HydrophobicContact CB-CB 4.1Å; A305-R329 HydrophobicContact CB-CB 4.14Å
306K96Very high94.4Very high89 Ų8941.6 Ų41.639%0.38722%0.22SC..Hα-helixtrans-63-40.6177-176.4-177.1175.5-171.50112.4M302 E303 I304 E309 Q310M302-K306 WeakPolarHBondContact O-CB 3.44Å; M302-K306 PolarHBondContact O-N 2.88Å; E303-K306 PolarHBondContact O-N 3.44Å; I304-K306 VanDerWaalsContact C-N 3.33Å; I304-K306 PolarHBondContact O-N 3.12Å; K306-E309 PolarHBondContact O-N 3.43Å; K306-Q310 WeakPolarHBondContact O-CG 3.38Å; K306-Q310 PolarHBondContact O-N 3.3Å
307M95.9Very high94.7Very high0 Ų042.5 Ų42.50%022%0.224CC..Hα-helixtrans-65.5-44.1175.5176.1-80.7-65.900111.6V275 L278 R279 E303 I304 A305 E309 Q310 N311 I314 F317V275-M307 HydrophobicContact CG1-CB 3.38Å; V275-M307 HydrophobicContact CG1-CE 4.26Å; V275-M307 HydrophobicContact CG1-CG 3.74Å; V275-M307 HydrophobicContact CG2-CE 4.31Å; V275-M307 WeakPolarHBondContact O-CG 3.47Å; L278-M307 HydrophobicContact CB-CE 3.89Å; L278-M307 HydrophobicContact CB-CG 4.37Å; L278-M307 HydrophobicContact CB-SD 3.72Å; L278-M307 HydrophobicContact CD1-CE 3.67Å; L278-M307 HydrophobicContact CG-CE 4.47Å; R279-M307 HydrophobicContact CB-CG 4.39Å; E303-M307 WeakPolarHBondContact O-CB 3.38Å; E303-M307 PolarHBondContact O-N 2.84Å; I304-M307 PolarHBondContact O-N 2.8Å; A305-M307 PolarHBondContact O-N 3.08Å; M307-E309 PolarHBondContact O-N 2.88Å; M307-Q310 PolarHBondContact O-N 3.07Å; M307-N311 WeakPolarHBondContact O-CB 3.25Å; M307-N311 PolarHBondContact O-N 3.38Å; M307-N311 HydrophobicContact SD-CB 3.92Å; M307-I314 HydrophobicContact CE-CD1 4.23Å; M307-I314 HydrophobicContact SD-CD1 4.07Å; M307-F317 HydrophobicContact CE-CE2 4.35Å
308L96.3Very high95Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-60.5-31.7178.6-72.5173.9000112.4I304 A305 Q310 I314 F317 F321 A330 A333 I334I304-L308 HydrophobicContact CG2-CD1 3.98Å; I304-L308 HydrophobicContact CG2-CG 4.44Å; I304-L308 WeakPolarHBondContact O-CG 3.31Å; I304-L308 PolarHBondContact O-N 2.93Å; A305-L308 PolarHBondContact O-N 3.27Å; L308-Q310 VanDerWaalsContact C-N 3.33Å; L308-I314 HydrophobicContact CD2-CB 4.27Å; L308-I314 HydrophobicContact CD2-CD1 4.04Å; L308-I314 HydrophobicContact CD2-CG2 4.01Å; L308-F317 HydrophobicContact CD1-CB 4.25Å; L308-F317 HydrophobicContact CD1-CD1 4.18Å; L308-F317 HydrophobicContact CD1-CD2 4.12Å; L308-F317 HydrophobicContact CD1-CG 3.92Å; L308-F317 HydrophobicContact CD2-CB 4.39Å; L308-F317 HydrophobicContact CD2-CD2 3.78Å; L308-F317 HydrophobicContact CD2-CE2 4.38Å; L308-F317 HydrophobicContact CD2-CG 4.23Å; L308-F317 HydrophobicContact CG-CD2 4.38Å; L308-F321 HydrophobicContact CD1-CZ 4.47Å; L308-A330 HydrophobicContact CD1-CB 3.7Å; L308-A333 HydrophobicContact CB-CB 4.08Å; L308-A333 WeakPolarHBondContact O-CB 3.48Å; L308-I334 HydrophobicContact CD2-CD1 4.21Å
309E95.3Very high95.2Very high74 Ų7439.7 Ų39.735%0.34620%0.201SC..Hα-helixtrans-68-31.7174-73.2173.2176.900113.6A305 K306 M307 R329 A333A305-E309 WeakPolarHBondContact O-CG 3.46Å; A305-E309 PolarHBondContact O-N 3.29Å; A305-E309 VanDerWaalsContact O-N 3.14Å; K306-E309 PolarHBondContact O-N 3.43Å; M307-E309 PolarHBondContact O-N 2.88Å; E309-R329 IonicContact OE1-CZ 3.7Å; E309-R329 VanDerWaalsContact OE1-CZ 3.23Å; E309-R329 IonicContact OE1-NE 3.91Å; E309-R329 PolarHBondContact OE1-NE 3.23Å; E309-R329 IonicContact OE1-NH2 2.7Å; E309-R329 PolarHBondContact OE1-NH2 3.4Å; E309-R329 IonicContact OE2-CZ 2.97Å; E309-R329 IonicContact OE2-NE 3Å; E309-R329 IonicContact OE2-NH2 3.23Å; E309-R329 PolarHBondContact OE2-NH2 3.43Å; E309-A333 HydrophobicContact CG-CB 4.32Å
310Q94.1Very high95.3Very high95 Ų9540 Ų4044%0.44420%0.195SC..Hα-helixtrans-85-33-179.7-66.2179.2-17.100111.8R279 K306 M307 L308R279-Q310 VanDerWaalsContact NE-OE1 3.09Å; K306-Q310 WeakPolarHBondContact O-CG 3.38Å; K306-Q310 PolarHBondContact O-N 3.3Å; M307-Q310 PolarHBondContact O-N 3.07Å; L308-Q310 VanDerWaalsContact C-N 3.33Å
311N94.7Very high95.3Very high6 Ų640.6 Ų40.63%0.03220%0.197CC..  trans-84.4128.6179.6-177.8-69.6000111.2L278 N281 M307 S313 I314 N337L278-N311 PolarHBondContact O-ND2 2.9Å; N281-N311 PolarHBondContact O-ND2 2.79Å; M307-N311 WeakPolarHBondContact O-CB 3.25Å; M307-N311 PolarHBondContact O-N 3.38Å; M307-N311 HydrophobicContact SD-CB 3.92Å; N311-S313 PolarHBondContact ND2-OG 3.32Å; N311-S313 VanDerWaalsContact ND2-OG 3.09Å; N311-S313 PolarHBondContact OD1-N 2.89Å; N311-S313 PolarHBondContact OD1-OG 3.47Å; N311-I314 WeakPolarHBondContact OD1-CG1 3.37Å; N311-I314 PolarHBondContact OD1-N 3.49Å; N311-N337 PolarHBondContact O-ND2 2.99Å
312N93.9Very high95.2Very high74 Ų7443.1 Ų43.140%0.39621%0.212SC..SBendtrans-1084.4178.6-58.7-53000114.1K336 N337 L340N312-K336 PolarHBondContact OD1-NZ 3.38Å; N312-N337 WeakPolarHBondContact CA-ND2 3.4Å; N312-N337 WeakPolarHBondContact CA-OD1 3.44Å; N312-L340 HydrophobicContact CB-CD1 4.14Å
313S94.8Very high95.1Very high19 Ų1943.2 Ų43.213%0.13321%0.212CC..SBendtrans-96.4-32.1-177.455.10000113N281 D282 L284 N311 V315N281-S313 PolarHBondContact O-OG 3.15Å; D282-S313 VanDerWaalsContact C-CB 3.42Å; D282-S313 WeakPolarHBondContact O-CB 3.48Å; L284-S313 CarbonylContact O-C 3.58Å; L284-S313 PolarHBondContact O-OG 3.43Å; N311-S313 PolarHBondContact ND2-OG 3.32Å; N311-S313 VanDerWaalsContact ND2-OG 3.09Å; N311-S313 PolarHBondContact OD1-N 2.89Å; N311-S313 PolarHBondContact OD1-OG 3.47Å; S313-V315 WeakPolarHBondContact O-CG2 3.02Å; S313-V315 PolarHBondContact O-N 3.38Å
314I96.5Very high95.1Very high0 Ų046.4 Ų46.40%023%0.227CC..  trans-74.6123-178.5-61.7168.1000110L278 M307 L308 N311 F317 I334 N337L278-I314 HydrophobicContact CB-CD1 4.27Å; L278-I314 HydrophobicContact CD1-CD1 4.13Å; L278-I314 HydrophobicContact CD2-CD1 4.17Å; L278-I314 HydrophobicContact CG-CD1 4.42Å; M307-I314 HydrophobicContact CE-CD1 4.23Å; M307-I314 HydrophobicContact SD-CD1 4.07Å; L308-I314 HydrophobicContact CD2-CB 4.27Å; L308-I314 HydrophobicContact CD2-CD1 4.04Å; L308-I314 HydrophobicContact CD2-CG2 4.01Å; N311-I314 WeakPolarHBondContact OD1-CG1 3.37Å; N311-I314 PolarHBondContact OD1-N 3.49Å; I314-F317 HydrophobicContact CG2-CB 4.42Å; I314-F317 HydrophobicContact CG2-CD2 4.47Å; I314-I334 HydrophobicContact CG2-CD1 3.93Å; I314-N337 VanDerWaalsContact O-CB 3.32Å; I314-N337 WeakPolarHBondContact O-CB 2.86Å; I314-N337 PolarHBondContact O-ND2 2.92Å
315V96.1Very high95Very high25 Ų2548.4 Ų48.415%0.15225%0.248CC..  trans-110.6-23.5-177.6-174.20000111.3T285 S313 I334 N338 V341T285-V315 PolarHBondContact O-N 3.45Å; S313-V315 WeakPolarHBondContact O-CG2 3.02Å; S313-V315 PolarHBondContact O-N 3.38Å; V315-I334 WeakPolarHBondContact O-CG2 3.39Å; V315-N338 WeakPolarHBondContact CG1-ND2 3.44Å; V315-N338 WeakPolarHBondContact CG1-OD1 3.27Å; V315-N338 PolarHBondContact O-ND2 3Å; V315-V341 HydrophobicContact CG2-CG2 4.08Å
316K96.6Very high95Very high125 Ų12548.6 Ų48.654%0.54325%0.249SC..EExtended strand (participates in β ladder)trans-135.6121.6177.7-65.5-179.5-176.1177.50109.7T285 E286 I287T285-K316 PolarHBondContact O-N 2.89Å; E286-K316 WeakPolarHBondContact CA-O 3.35Å; E286-K316 HydrophobicContact CB-CB 4.1Å; E286-K316 HydrophobicContact CG-CB 3.88Å; E286-K316 HydrophobicContact CG-CD 4.34Å; E286-K316 IonicContact OE2-NZ 2.81Å; I287-K316 PolarHBondContact N-O 2.79Å
317F96.6Very high95Very high31 Ų3148.5 Ų48.514%0.13625%0.246CC..EExtended strand (participates in β ladder)trans-120.7106.9174.7-165.7-90.5000108.9I287 I289 I304 M307 L308 I314 Y319 F321 I334I287-F317 HydrophobicContact CG2-CD2 3.29Å; I287-F317 HydrophobicContact CG2-CE2 3.5Å; I287-F317 HydrophobicContact CG2-CG 4.29Å; I287-F317 CarbonylContact O-C 3.6Å; I287-F317 WeakPolarHBondContact O-CA 3.42Å; I289-F317 HydrophobicContact CD1-CE1 4.12Å; I289-F317 HydrophobicContact CD1-CZ 3.65Å; I289-F317 HydrophobicContact CG1-CE1 4.36Å; I289-F317 HydrophobicContact CG1-CZ 4.18Å; I304-F317 HydrophobicContact CB-CZ 4.5Å; I304-F317 HydrophobicContact CD1-CZ 4.41Å; I304-F317 HydrophobicContact CG1-CZ 4.4Å; I304-F317 HydrophobicContact CG2-CD1 4.32Å; I304-F317 HydrophobicContact CG2-CE1 3.46Å; I304-F317 VanDerWaalsContact CG2-CE1 3.46Å; I304-F317 HydrophobicContact CG2-CE2 4.07Å; I304-F317 HydrophobicContact CG2-CZ 3.31Å; M307-F317 HydrophobicContact CE-CE2 4.35Å; L308-F317 HydrophobicContact CD1-CB 4.25Å; L308-F317 HydrophobicContact CD1-CD1 4.18Å; L308-F317 HydrophobicContact CD1-CD2 4.12Å; L308-F317 HydrophobicContact CD1-CG 3.92Å; L308-F317 HydrophobicContact CD2-CB 4.39Å; L308-F317 HydrophobicContact CD2-CD2 3.78Å; L308-F317 HydrophobicContact CD2-CE2 4.38Å; L308-F317 HydrophobicContact CD2-CG 4.23Å; L308-F317 HydrophobicContact CG-CD2 4.38Å; I314-F317 HydrophobicContact CG2-CB 4.42Å; I314-F317 HydrophobicContact CG2-CD2 4.47Å; F317-Y319 VanDerWaalsContact CE1-CB 3.46Å; F317-Y319 HydrophobicContact CE1-CD1 4.42Å; F317-Y319 HydrophobicContact CE1-CG 4.22Å; F317-Y319 PolarHBondContact O-N 3.01Å; F317-F321 HydrophobicContact CD1-CE2 4.28Å; F317-F321 HydrophobicContact CD1-CZ 4.32Å; F317-F321 HydrophobicContact CE1-CZ 4.2Å; F317-I334 HydrophobicContact CB-CD1 4.08Å; F317-I334 HydrophobicContact CB-CG1 4.48Å
318G95.4Very high95.1Very high19 Ų1951.8 Ų51.820%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-86.592.9179.600000110.8I287 I289 D290I287-G318 PolarHBondContact O-N 2.89Å; I289-G318 PolarHBondContact N-O 3.41Å; D290-G318 PolarHBondContact N-O 2.99Å
319Y95.9Very high95.1Very high28 Ų2855.9 Ų55.911%0.1129%0.285CS..  trans-160.8133171.6176.3-108.3000109.7I289 L296 E301 F317 F321I289-Y319 HydrophobicContact CG1-CD2 4.25Å; I289-Y319 HydrophobicContact CG1-CG 4.42Å; L296-Y319 HydrophobicContact CD1-CD2 3.93Å; L296-Y319 HydrophobicContact CD1-CE1 4.44Å; L296-Y319 HydrophobicContact CD1-CE2 3.36Å; L296-Y319 HydrophobicContact CG-CE2 3.82Å; E301-Y319 HydrophobicContact CG-CE1 3.8Å; E301-Y319 PolarHBondContact OE1-OH 2.84Å; F317-Y319 VanDerWaalsContact CE1-CB 3.46Å; F317-Y319 HydrophobicContact CE1-CD1 4.42Å; F317-Y319 HydrophobicContact CE1-CG 4.22Å; F317-Y319 PolarHBondContact O-N 3.01Å; Y319-F321 AromaticContact CD1-CD1 3.89Å; Y319-F321 HydrophobicContact CD1-CD1 3.89Å; Y319-F321 AromaticContact CD1-CD2 3.93Å; Y319-F321 HydrophobicContact CD1-CD2 3.93Å; Y319-F321 AromaticContact CD1-CE1 3.98Å; Y319-F321 HydrophobicContact CD1-CE1 3.98Å; Y319-F321 HydrophobicContact CD1-CE2 4Å; Y319-F321 AromaticContact CD1-CG 3.87Å; Y319-F321 HydrophobicContact CD1-CG 3.87Å; Y319-F321 HydrophobicContact CD1-CZ 4.03Å; Y319-F321 HydrophobicContact CE1-CB 4.37Å; Y319-F321 AromaticContact CE1-CD1 3.81Å; Y319-F321 HydrophobicContact CE1-CD1 3.81Å; Y319-F321 HydrophobicContact CE1-CE1 4.2Å; Y319-F321 AromaticContact CE1-CG 3.99Å; Y319-F321 HydrophobicContact CE1-CG 3.99Å; Y319-F321 PolarHBondContact O-N 3.44Å
320H94.3Very high95.1Very high115 Ų11552.6 Ų52.653%0.53227%0.27SS..  trans-84101.4171.9-173.283.1000111.2D290 T322 R327D290-H320 PolarHBondContact OD1-N 3.14Å; D290-H320 PolarHBondContact OD2-N 3.17Å; H320-T322 PolarHBondContact O-N 3.28Å; H320-R327 PolarHBondContact NE2-NH2 2.96Å
321F93.3Very high95.3Very high14 Ų1450.6 Ų50.66%0.06127%0.27CS..  trans-64.9129173.5-68.5-89.8000111.3E301 I304 L308 F317 Y319 P326 R327 A330E301-F321 HydrophobicContact CB-CD1 4.06Å; E301-F321 HydrophobicContact CB-CE1 4.41Å; E301-F321 HydrophobicContact CG-CD1 4.14Å; I304-F321 HydrophobicContact CB-CE1 4.26Å; I304-F321 HydrophobicContact CB-CZ 4.49Å; I304-F321 HydrophobicContact CG2-CE1 3.9Å; I304-F321 HydrophobicContact CG2-CZ 3.65Å; L308-F321 HydrophobicContact CD1-CZ 4.47Å; F317-F321 HydrophobicContact CD1-CE2 4.28Å; F317-F321 HydrophobicContact CD1-CZ 4.32Å; F317-F321 HydrophobicContact CE1-CZ 4.2Å; Y319-F321 AromaticContact CD1-CD1 3.89Å; Y319-F321 HydrophobicContact CD1-CD1 3.89Å; Y319-F321 AromaticContact CD1-CD2 3.93Å; Y319-F321 HydrophobicContact CD1-CD2 3.93Å; Y319-F321 AromaticContact CD1-CE1 3.98Å; Y319-F321 HydrophobicContact CD1-CE1 3.98Å; Y319-F321 HydrophobicContact CD1-CE2 4Å; Y319-F321 AromaticContact CD1-CG 3.87Å; Y319-F321 HydrophobicContact CD1-CG 3.87Å; Y319-F321 HydrophobicContact CD1-CZ 4.03Å; Y319-F321 HydrophobicContact CE1-CB 4.37Å; Y319-F321 AromaticContact CE1-CD1 3.81Å; Y319-F321 HydrophobicContact CE1-CD1 3.81Å; Y319-F321 HydrophobicContact CE1-CE1 4.2Å; Y319-F321 AromaticContact CE1-CG 3.99Å; Y319-F321 HydrophobicContact CE1-CG 3.99Å; Y319-F321 PolarHBondContact O-N 3.44Å; F321-P326 HydrophobicContact CD1-CB 3.62Å; F321-P326 HydrophobicContact CE1-CB 4Å; F321-P326 HydrophobicContact CG-CB 4.5Å; F321-R327 HydrophobicContact CB-CB 3.67Å; F321-R327 HydrophobicContact CB-CG 4.08Å; F321-R327 HydrophobicContact CG-CB 4.21Å; F321-R327 VanDerWaalsContact O-CZ 3.26Å; F321-R327 PolarHBondContact O-NE 3.41Å; F321-R327 VanDerWaalsContact O-NE 3.07Å; F321-R327 PolarHBondContact O-NH2 3.19Å; F321-A330 HydrophobicContact CD2-CB 4.37Å; F321-A330 HydrophobicContact CE1-CB 4.34Å; F321-A330 HydrophobicContact CE2-CB 3.53Å; F321-A330 HydrophobicContact CZ-CB 3.51Å
322T92.8Very high95.4Very high52 Ų5253.3 Ų53.332%0.31929%0.293SS..SBendtrans-76.7-37.4174.560.50000111.7E301 H320E301-T322 VanDerWaalsContact CD-OG1 3.23Å; E301-T322 WeakPolarHBondContact OE1-CB 3.43Å; E301-T322 PolarHBondContact OE1-N 3.36Å; E301-T322 PolarHBondContact OE1-OG1 3.1Å; E301-T322 PolarHBondContact OE2-N 3.31Å; E301-T322 PolarHBondContact OE2-OG1 3.46Å; H320-T322 PolarHBondContact O-N 3.28Å
323Q92.7Very high95.5Very high86 Ų8650 Ų5040%0.40228%0.276SS..SBendtrans-92.5133.3-177.2-59.1-57.4-51.400112.1T298 E301 G325 P326 R327T298-Q323 HydrophobicContact CG2-CG 4.01Å; E301-Q323 PolarHBondContact OE2-N 3.26Å; Q323-G325 VanDerWaalsContact C-N 3.31Å; Q323-G325 PolarHBondContact O-N 3.07Å; Q323-P326 HydrophobicContact CB-CG 3.92Å; Q323-R327 VanDerWaalsContact O-CB 3.29Å; Q323-R327 WeakPolarHBondContact O-CB 3.43Å; Q323-R327 PolarHBondContact O-N 3.07Å; Q323-R327 VanDerWaalsContact O-N 3.16Å
324Q93.3Very high95.6Very high122 Ų12250.5 Ų50.557%0.5728%0.277SS*.Hα-helixtrans-63.9-33.3-178.1-173.460.922.300113.2R327 S328Q324-R327 PolarHBondContact O-N 2.74Å; Q324-S328 WeakPolarHBondContact O-CB 3.15Å; Q324-S328 PolarHBondContact O-N 3.12Å
325G94.9Very high95.6Very high43 Ų4355 Ų5544%0.44330%0.304SS..Hα-helixtrans-60.6-64.2178.700000113Q323 R327 S328 R329Q323-G325 VanDerWaalsContact C-N 3.31Å; Q323-G325 PolarHBondContact O-N 3.07Å; G325-R327 VanDerWaalsContact C-N 3.26Å; G325-R327 PolarHBondContact O-N 2.94Å; G325-S328 PolarHBondContact O-N 3.23Å; G325-R329 WeakPolarHBondContact O-CG 3.45Å; G325-R329 PolarHBondContact O-N 3.16Å
326P95.7Very high95.6Very high4 Ų458.9 Ų58.93%0.02632%0.319CS..Hα-helixtrans-50.9-42.9171.8-29.234.7000113.7E301 M302 A305 F321 Q323 S328 R329 A330E301-P326 HydrophobicContact CB-CB 4.04Å; E301-P326 HydrophobicContact CB-CG 4.02Å; M302-P326 HydrophobicContact CG-CG 4.04Å; M302-P326 HydrophobicContact SD-CG 3.57Å; M302-P326 VanDerWaalsContact SD-CG 3.57Å; A305-P326 HydrophobicContact CB-CB 4.1Å; F321-P326 HydrophobicContact CD1-CB 3.62Å; F321-P326 HydrophobicContact CE1-CB 4Å; F321-P326 HydrophobicContact CG-CB 4.5Å; Q323-P326 HydrophobicContact CB-CG 3.92Å; P326-S328 PolarHBondContact O-N 3.18Å; P326-R329 PolarHBondContact O-N 3.01Å; P326-A330 VanDerWaalsContact O-CB 3.3Å; P326-A330 WeakPolarHBondContact O-CB 3.49Å; P326-A330 PolarHBondContact O-N 3.11Å
327R96.4Very high95.6Very high87 Ų8753 Ų5333%0.32829%0.294SS..Hα-helixtrans-57.5-50.6-179.7-171-173.4-69.1175.1-13.1112.1H320 F321 Q323 Q324 G325 A330 A331H320-R327 PolarHBondContact NE2-NH2 2.96Å; F321-R327 HydrophobicContact CB-CB 3.67Å; F321-R327 HydrophobicContact CB-CG 4.08Å; F321-R327 HydrophobicContact CG-CB 4.21Å; F321-R327 VanDerWaalsContact O-CZ 3.26Å; F321-R327 PolarHBondContact O-NE 3.41Å; F321-R327 VanDerWaalsContact O-NE 3.07Å; F321-R327 PolarHBondContact O-NH2 3.19Å; Q323-R327 VanDerWaalsContact O-CB 3.29Å; Q323-R327 WeakPolarHBondContact O-CB 3.43Å; Q323-R327 PolarHBondContact O-N 3.07Å; Q323-R327 VanDerWaalsContact O-N 3.16Å; Q324-R327 PolarHBondContact O-N 2.74Å; G325-R327 VanDerWaalsContact C-N 3.26Å; G325-R327 PolarHBondContact O-N 2.94Å; R327-A330 PolarHBondContact O-N 3.09Å; R327-A331 WeakPolarHBondContact O-CB 3.42Å; R327-A331 PolarHBondContact O-N 2.91Å
328S96.8Very high95.6Very high69 Ų6955 Ų5548%0.48331%0.306SS..Hα-helixtrans-63.6-43.2-179.7-175.10000111.8Q324 G325 P326 A331 A332Q324-S328 WeakPolarHBondContact O-CB 3.15Å; Q324-S328 PolarHBondContact O-N 3.12Å; G325-S328 PolarHBondContact O-N 3.23Å; P326-S328 PolarHBondContact O-N 3.18Å; S328-A331 PolarHBondContact O-N 3.12Å; S328-A332 WeakPolarHBondContact O-CB 3.42Å; S328-A332 PolarHBondContact O-N 2.87Å
329R96.6Very high95.6Very high86 Ų8656.3 Ų56.333%0.32531%0.308SS..Hα-helixtrans-63.2-46.8177.9-68.8176.368.5-174.11.3112.3A305 E309 G325 P326 A332 A333A305-R329 HydrophobicContact CB-CB 4.14Å; E309-R329 IonicContact OE1-CZ 3.7Å; E309-R329 VanDerWaalsContact OE1-CZ 3.23Å; E309-R329 IonicContact OE1-NE 3.91Å; E309-R329 PolarHBondContact OE1-NE 3.23Å; E309-R329 IonicContact OE1-NH2 2.7Å; E309-R329 PolarHBondContact OE1-NH2 3.4Å; E309-R329 IonicContact OE2-CZ 2.97Å; E309-R329 IonicContact OE2-NE 3Å; E309-R329 IonicContact OE2-NH2 3.23Å; E309-R329 PolarHBondContact OE2-NH2 3.43Å; G325-R329 WeakPolarHBondContact O-CG 3.45Å; G325-R329 PolarHBondContact O-N 3.16Å; P326-R329 PolarHBondContact O-N 3.01Å; R329-A332 PolarHBondContact O-N 3.43Å; R329-A333 WeakPolarHBondContact O-CB 3.39Å; R329-A333 PolarHBondContact O-N 2.99Å
330A96.6Very high95.5Very high5 Ų557.4 Ų57.44%0.04132%0.316CS..Hα-helixtrans-61.1-45.117600000111.5L308 F321 P326 R327 A332 A333 I334L308-A330 HydrophobicContact CD1-CB 3.7Å; F321-A330 HydrophobicContact CD2-CB 4.37Å; F321-A330 HydrophobicContact CE1-CB 4.34Å; F321-A330 HydrophobicContact CE2-CB 3.53Å; F321-A330 HydrophobicContact CZ-CB 3.51Å; P326-A330 VanDerWaalsContact O-CB 3.3Å; P326-A330 WeakPolarHBondContact O-CB 3.49Å; P326-A330 PolarHBondContact O-N 3.11Å; R327-A330 PolarHBondContact O-N 3.09Å; A330-A332 VanDerWaalsContact C-N 3.35Å; A330-A332 PolarHBondContact O-N 2.9Å; A330-A333 PolarHBondContact O-N 2.92Å; A330-I334 WeakPolarHBondContact O-CB 3.43Å; A330-I334 VanDerWaalsContact O-CG1 3.29Å; A330-I334 WeakPolarHBondContact O-CG1 3.48Å; A330-I334 PolarHBondContact O-N 3.25Å
331A96.8Very high95.4Very high53 Ų5354 Ų5444%0.43830%0.303SS..Hα-helixtrans-60.9-41.9177.300000112.4R327 S328 I334 T335R327-A331 WeakPolarHBondContact O-CB 3.42Å; R327-A331 PolarHBondContact O-N 2.91Å; S328-A331 PolarHBondContact O-N 3.12Å; A331-I334 PolarHBondContact O-N 3.29Å; A331-T335 WeakPolarHBondContact O-CB 3.36Å; A331-T335 PolarHBondContact O-N 3.25Å; A331-T335 PolarHBondContact O-OG1 3.33Å
332A97Very high95.5Very high62 Ų6259.5 Ų59.551%0.51232%0.323SS..Hα-helixtrans-63.7-44.4175.900000112S328 R329 A330 T335 K336S328-A332 WeakPolarHBondContact O-CB 3.42Å; S328-A332 PolarHBondContact O-N 2.87Å; R329-A332 PolarHBondContact O-N 3.43Å; A330-A332 VanDerWaalsContact C-N 3.35Å; A330-A332 PolarHBondContact O-N 2.9Å; A332-T335 PolarHBondContact O-N 3.41Å; A332-K336 WeakPolarHBondContact O-CB 3.33Å; A332-K336 PolarHBondContact O-N 2.85Å
333A96.8Very high95.5Very high6 Ų663.4 Ų63.45%0.0533%0.332CS..Hα-helixtrans-61.7-45.8176.800000112.2L308 E309 R329 A330 T335 K336 N337L308-A333 HydrophobicContact CB-CB 4.08Å; L308-A333 WeakPolarHBondContact O-CB 3.48Å; E309-A333 HydrophobicContact CG-CB 4.32Å; R329-A333 WeakPolarHBondContact O-CB 3.39Å; R329-A333 PolarHBondContact O-N 2.99Å; A330-A333 PolarHBondContact O-N 2.92Å; A333-T335 VanDerWaalsContact C-N 3.34Å; A333-T335 PolarHBondContact O-N 2.86Å; A333-K336 WeakPolarHBondContact O-CB 3.27Å; A333-K336 PolarHBondContact O-N 3.09Å; A333-N337 VanDerWaalsContact O-CG 3.31Å; A333-N337 PolarHBondContact O-N 3.14Å; A333-N337 PolarHBondContact O-OD1 3.32Å
334I96.8Very high95.4Very high29 Ų2966 Ų6615%0.14934%0.338CS..Hα-helixtrans-63.5-39.8176.3-67.7-61.6000111.7L308 I314 V315 F317 A330 A331 N337 N338L308-I334 HydrophobicContact CD2-CD1 4.21Å; I314-I334 HydrophobicContact CG2-CD1 3.93Å; V315-I334 WeakPolarHBondContact O-CG2 3.39Å; F317-I334 HydrophobicContact CB-CD1 4.08Å; F317-I334 HydrophobicContact CB-CG1 4.48Å; A330-I334 WeakPolarHBondContact O-CB 3.43Å; A330-I334 VanDerWaalsContact O-CG1 3.29Å; A330-I334 WeakPolarHBondContact O-CG1 3.48Å; A330-I334 PolarHBondContact O-N 3.25Å; A331-I334 PolarHBondContact O-N 3.29Å; I334-N337 PolarHBondContact O-N 3.41Å; I334-N338 WeakPolarHBondContact CG2-ND2 2.93Å; I334-N338 PolarHBondContact O-N 2.65Å; I334-N338 PolarHBondContact O-ND2 3.3Å
335T96.9Very high95.3Very high94 Ų9468.1 Ų68.158%0.57734%0.341SS*.Hα-helixtrans-63.6-44.2176.6-58.70000111.2A331 A332 A333 N337 N338 D339A331-T335 WeakPolarHBondContact O-CB 3.36Å; A331-T335 PolarHBondContact O-N 3.25Å; A331-T335 PolarHBondContact O-OG1 3.33Å; A332-T335 PolarHBondContact O-N 3.41Å; A333-T335 VanDerWaalsContact C-N 3.34Å; A333-T335 PolarHBondContact O-N 2.86Å; T335-N337 PolarHBondContact O-N 3.39Å; T335-N338 PolarHBondContact O-N 3.35Å; T335-D339 PolarHBondContact O-N 3.44Å
336K96.8Very high95.1Very high107 Ų10769.3 Ų69.347%0.46534%0.34SS..Hα-helixtrans-57.3-47173.7176.3-163.3173.4-150.40111.2N312 A332 A333 D339 L340N312-K336 PolarHBondContact OD1-NZ 3.38Å; A332-K336 WeakPolarHBondContact O-CB 3.33Å; A332-K336 PolarHBondContact O-N 2.85Å; A333-K336 WeakPolarHBondContact O-CB 3.27Å; A333-K336 PolarHBondContact O-N 3.09Å; K336-D339 PolarHBondContact O-N 3.32Å; K336-L340 WeakPolarHBondContact O-CG 3.33Å; K336-L340 PolarHBondContact O-N 3.43Å
337N95.7Very high94.8Very high1 Ų175.3 Ų75.31%0.00537%0.367CS..Hα-helixtrans-66.1-39.5-179.2-67.7-4.2000112N311 N312 I314 A333 I334 T335 D339 L340 V341N311-N337 PolarHBondContact O-ND2 2.99Å; N312-N337 WeakPolarHBondContact CA-ND2 3.4Å; N312-N337 WeakPolarHBondContact CA-OD1 3.44Å; I314-N337 VanDerWaalsContact O-CB 3.32Å; I314-N337 WeakPolarHBondContact O-CB 2.86Å; I314-N337 PolarHBondContact O-ND2 2.92Å; A333-N337 VanDerWaalsContact O-CG 3.31Å; A333-N337 PolarHBondContact O-N 3.14Å; A333-N337 PolarHBondContact O-OD1 3.32Å; I334-N337 PolarHBondContact O-N 3.41Å; T335-N337 PolarHBondContact O-N 3.39Å; N337-D339 PolarHBondContact O-N 3.36Å; N337-L340 PolarHBondContact O-N 3.5Å; N337-V341 WeakPolarHBondContact O-CG2 3.39Å; N337-V341 PolarHBondContact O-N 2.92Å; N337-V341 VanDerWaalsContact O-N 3.09Å
338N96.1Very high93.9Very high73 Ų7381 Ų8139%0.3939%0.389SS..Hα-helixtrans-59.9-43.2171.5-85.3-77.6000112.1V315 I334 T335 L340 V341 R342V315-N338 WeakPolarHBondContact CG1-ND2 3.44Å; V315-N338 WeakPolarHBondContact CG1-OD1 3.27Å; V315-N338 PolarHBondContact O-ND2 3Å; I334-N338 WeakPolarHBondContact CG2-ND2 2.93Å; I334-N338 PolarHBondContact O-N 2.65Å; I334-N338 PolarHBondContact O-ND2 3.3Å; T335-N338 PolarHBondContact O-N 3.35Å; N338-L340 PolarHBondContact O-N 3.03Å; N338-V341 PolarHBondContact O-N 3.29Å; N338-R342 PolarHBondContact O-N 3.01Å
339D95.8Very high92.7Very high46 Ų4684.4 Ų84.425%0.24640%0.402CS..Hα-helixtrans-65.4-37.4177.3-169.352.4000112.1T335 K336 N337 V341 R342 R343T335-D339 PolarHBondContact O-N 3.44Å; K336-D339 PolarHBondContact O-N 3.32Å; N337-D339 PolarHBondContact O-N 3.36Å; D339-V341 VanDerWaalsContact C-N 3.34Å; D339-V341 PolarHBondContact O-N 3.22Å; D339-R342 WeakPolarHBondContact O-CB 3.49Å; D339-R342 PolarHBondContact O-N 3.23Å; D339-R342 IonicContact OD1-CZ 2.7Å; D339-R342 VanDerWaalsContact OD1-CZ 3.24Å; D339-R342 IonicContact OD1-NE 3.24Å; D339-R342 PolarHBondContact OD1-NE 2.97Å; D339-R342 IonicContact OD1-NH2 3.98Å; D339-R342 PolarHBondContact OD1-NH2 3.31Å; D339-R342 IonicContact OD2-NH2 2.84Å; D339-R343 WeakPolarHBondContact O-CG 3.45Å; D339-R343 PolarHBondContact O-N 2.9Å; D339-R343 IonicContact OD2-CZ 2.77Å; D339-R343 VanDerWaalsContact OD2-CZ 3.25Å; D339-R343 IonicContact OD2-NE 2.86Å; D339-R343 PolarHBondContact OD2-NE 3.28Å; D339-R343 IonicContact OD2-NH2 3.25Å; D339-R343 PolarHBondContact OD2-NH2 3.22Å
340L93.9Very high90.6Very high51 Ų5190.4 Ų90.427%0.26743%0.433SS..Hα-helixtrans-60.2-43.2173.1-70.3175.6000111.9N312 K336 N337 N338 R342 R343 R344N312-L340 HydrophobicContact CB-CD1 4.14Å; K336-L340 WeakPolarHBondContact O-CG 3.33Å; K336-L340 PolarHBondContact O-N 3.43Å; N337-L340 PolarHBondContact O-N 3.5Å; N338-L340 PolarHBondContact O-N 3.03Å; L340-R342 VanDerWaalsContact C-N 3.33Å; L340-R343 PolarHBondContact O-N 3.46Å; L340-R344 WeakPolarHBondContact O-CG 3.15Å; L340-R344 PolarHBondContact O-N 2.92Å; L340-R344 VanDerWaalsContact O-N 3.08Å
341V93.1Very high90.4Very high43 Ų4394.7 Ų94.726%0.26145%0.453SS..Hα-helixtrans-63.4-41175.1173.70000110.8V315 N337 N338 D339 R344 R345V315-V341 HydrophobicContact CG2-CG2 4.08Å; N337-V341 WeakPolarHBondContact O-CG2 3.39Å; N337-V341 PolarHBondContact O-N 2.92Å; N337-V341 VanDerWaalsContact O-N 3.09Å; N338-V341 PolarHBondContact O-N 3.29Å; D339-V341 VanDerWaalsContact C-N 3.34Å; D339-V341 PolarHBondContact O-N 3.22Å; V341-R344 PolarHBondContact O-N 3.04Å; V341-R345 WeakPolarHBondContact O-CG 3.47Å; V341-R345 PolarHBondContact O-N 3.33Å
342R94Very high90Very high131 Ų13196.8 Ų96.849%0.49445%0.454SS..Hα-helixtrans-62-48.2176.3-172.4-166.665.478.12.2111.8N338 D339 L340 R344 R345 V346N338-R342 PolarHBondContact O-N 3.01Å; D339-R342 WeakPolarHBondContact O-CB 3.49Å; D339-R342 PolarHBondContact O-N 3.23Å; D339-R342 IonicContact OD1-CZ 2.7Å; D339-R342 VanDerWaalsContact OD1-CZ 3.24Å; D339-R342 IonicContact OD1-NE 3.24Å; D339-R342 PolarHBondContact OD1-NE 2.97Å; D339-R342 IonicContact OD1-NH2 3.98Å; D339-R342 PolarHBondContact OD1-NH2 3.31Å; D339-R342 IonicContact OD2-NH2 2.84Å; L340-R342 VanDerWaalsContact C-N 3.33Å; R342-R344 PolarHBondContact O-N 3.41Å; R342-R345 WeakPolarHBondContact O-CB 3.46Å; R342-R345 PolarHBondContact O-N 3.48Å; R342-R345 VanDerWaalsContact O-N 3.1Å; R342-V346 PolarHBondContact O-N 2.76Å
343R92.8Very high89.6Confident133 Ų13398.8 Ų98.850%0.50245%0.45SS..Hα-helixtrans-58.4-45.7177.8-70.4179.7-165.2-156.52.1111.9D339 L340 R345 V346 E347D339-R343 WeakPolarHBondContact O-CG 3.45Å; D339-R343 PolarHBondContact O-N 2.9Å; D339-R343 IonicContact OD2-CZ 2.77Å; D339-R343 VanDerWaalsContact OD2-CZ 3.25Å; D339-R343 IonicContact OD2-NE 2.86Å; D339-R343 PolarHBondContact OD2-NE 3.28Å; D339-R343 IonicContact OD2-NH2 3.25Å; D339-R343 PolarHBondContact OD2-NH2 3.22Å; L340-R343 PolarHBondContact O-N 3.46Å; R343-R345 PolarHBondContact O-N 3.35Å; R343-V346 PolarHBondContact O-N 3.18Å; R343-V346 VanDerWaalsContact O-N 3.13Å; R343-E347 WeakPolarHBondContact O-CG 3.34Å; R343-E347 PolarHBondContact O-N 3.29Å
344R91.1Very high89.2Confident142 Ų142104.2 Ų104.254%0.53647%0.474SS..Hα-helixtrans-60.6-27.5176.2-72.3175.4-175.9173.42.5113.7L340 V341 R342 R348L340-R344 WeakPolarHBondContact O-CG 3.15Å; L340-R344 PolarHBondContact O-N 2.92Å; L340-R344 VanDerWaalsContact O-N 3.08Å; V341-R344 PolarHBondContact O-N 3.04Å; R342-R344 PolarHBondContact O-N 3.41Å; R344-R348 WeakPolarHBondContact O-CD 3.47Å; R344-R348 WeakPolarHBondContact O-CG 3.27Å; R344-R348 PolarHBondContact O-N 2.72Å
345R90.9Very high88.7Confident166 Ų166108.9 Ų108.963%0.62649%0.494SS*.Hα-helixtrans-72.7-48.7173.6-68.8173.7-171.5-178.62.7110.3V341 R342 R343 E347 R348 D349V341-R345 WeakPolarHBondContact O-CG 3.47Å; V341-R345 PolarHBondContact O-N 3.33Å; R342-R345 WeakPolarHBondContact O-CB 3.46Å; R342-R345 PolarHBondContact O-N 3.48Å; R342-R345 VanDerWaalsContact O-N 3.1Å; R343-R345 PolarHBondContact O-N 3.35Å; R345-E347 VanDerWaalsContact C-N 3.34Å; R345-E347 PolarHBondContact O-N 3.43Å; R345-R348 PolarHBondContact O-N 3.09Å; R345-R348 VanDerWaalsContact O-N 3.11Å; R345-D349 PolarHBondContact O-N 2.96Å
346V91.5Very high88.2Confident68 Ų68109.9 Ų109.941%0.41249%0.489SS..Hα-helixtrans-60.4-42179.1178.90000112R342 R343 R348 D349 Q350R342-V346 PolarHBondContact O-N 2.76Å; R343-V346 PolarHBondContact O-N 3.18Å; R343-V346 VanDerWaalsContact O-N 3.13Å; V346-R348 VanDerWaalsContact C-N 3.27Å; V346-R348 PolarHBondContact O-N 3.07Å; V346-D349 PolarHBondContact O-N 3.04Å; V346-Q350 PolarHBondContact O-N 2.96Å
347E88.8Confident87.6Confident130 Ų130110.1 Ų110.161%0.60749%0.49SS*.THydrogen-bonded Turntrans-67.6-22.5177.5-72169.5-175.300113.9R343 R345R343-E347 WeakPolarHBondContact O-CG 3.34Å; R343-E347 PolarHBondContact O-N 3.29Å; R345-E347 VanDerWaalsContact C-N 3.34Å; R345-E347 PolarHBondContact O-N 3.43Å
348R78.1Confident87Confident206 Ų206118.5 Ų118.578%0.77753%0.528SS*.THydrogen-bonded Turntrans-85.3-21.1176.6-76.2174.1-178.7-164.4-0.8113.1R344 R345 V346R344-R348 WeakPolarHBondContact O-CD 3.47Å; R344-R348 WeakPolarHBondContact O-CG 3.27Å; R344-R348 PolarHBondContact O-N 2.72Å; R345-R348 PolarHBondContact O-N 3.09Å; R345-R348 VanDerWaalsContact O-N 3.11Å; V346-R348 VanDerWaalsContact C-N 3.27Å; V346-R348 PolarHBondContact O-N 3.07Å
349D70.9Confident86.2Confident141 Ų141122.3 Ų122.375%0.75454%0.539SS*.  trans-91-4.5-179.6-63-23.8000112.1R345 V346R345-D349 PolarHBondContact O-N 2.96Å; V346-D349 PolarHBondContact O-N 3.04Å
350Q53.6Low85.3Confident211 Ų211129.3 Ų129.399%0.98657%0.566SS**  trans-98.30169.4-68.4-178.11.700110.3V346V346-Q350 PolarHBondContact O-N 2.96Å

Retrieved 350 of 350 residues in 348.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).