G4VQZ3_SCHMA Loading...

Fcf2 domain-containing protein

AlphaFold DB , UniProt , Accession G4VQZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 238 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.3Very low47.9Very low225 Ų225166.9 Ų166.9100%1.10884%0.844SS**  073.10-77.5-74.8-80.800104.7
2D40.9Very low48.5Very low159 Ų159162.2 Ų162.285%0.8584%0.838SS**  trans-139.292.9-178.6-61.1-67.8000105.7
3E42.8Very low48.8Very low189 Ų189163.3 Ų163.388%0.88383%0.832SS**  trans-86.1115.6173.4-69.7-174.7179.100108E5E3-E5 PolarHBondContact O-N 3.44Å
4E53.4Low49.2Very low189 Ų189160.9 Ų160.988%0.88384%0.837SS**  trans-77.1106.7172.6-71.8-177.5161.700109.6L6E4-L6 PolarHBondContact O-N 2.9Å
5E46.1Very low49.4Very low191 Ų191163.9 Ų163.989%0.89384%0.835SS**  trans-60.1114.9174-67.6-179.716000111.6E3 S7E3-E5 PolarHBondContact O-N 3.44Å; E5-S7 PolarHBondContact O-N 2.84Å
6L44.4Very low50Low179 Ų179161.3 Ų161.394%0.93783%0.83SS**  trans-76.2103.4167.9-73.4169.3000110E4 F8E4-L6 PolarHBondContact O-N 2.9Å; L6-F8 PolarHBondContact O-N 3.06Å
7S45.8Very low49.9Very low110 Ų110163.5 Ų163.577%0.76983%0.825SS**  trans-72.9120.6174.5630000112E5E5-S7 PolarHBondContact O-N 2.84Å
8F51.2Low50.2Low186 Ų186163.9 Ų163.982%0.81682%0.821SS**  trans-83.1127.3174.1-160.3-93.8000111L6 P10L6-F8 PolarHBondContact O-N 3.06Å; F8-P10 WeakPolarHBondContact O-CD 3.49Å
9I58.9Low50.3Low134 Ų134158.3 Ų158.369%0.68780%0.797SS**  trans-93.3115.2178.1-59.2173.5000109.6H11I9-H11 PolarHBondContact O-CE1 3.34Å; I9-H11 VanDerWaalsContact O-CE1 3.28Å; I9-H11 PolarHBondContact O-ND1 3.25Å; I9-H11 VanDerWaalsContact O-ND1 3.15Å
10P53.1Low50.6Low101 Ų101156.5 Ų156.566%0.65680%0.797SS**  trans-76.2133.5-178.829.2-32.7000112.6F8 S12F8-P10 WeakPolarHBondContact O-CD 3.49Å; P10-S12 PolarHBondContact O-N 3.43Å
11H49.4Very low50.8Low173 Ų173154.1 Ų154.180%0.80179%0.785SS**  trans-8884.9-178-50.6-17.9000110.9I9I9-H11 PolarHBondContact O-CE1 3.34Å; I9-H11 VanDerWaalsContact O-CE1 3.28Å; I9-H11 PolarHBondContact O-ND1 3.25Å; I9-H11 VanDerWaalsContact O-ND1 3.15Å
12S54.8Low51.3Low110 Ų110152 Ų15277%0.76977%0.769SS**  trans-104.78.3177.365.20000114.8P10P10-S12 PolarHBondContact O-N 3.43Å
13K52.4Low51.8Low177 Ų177150.7 Ų150.777%0.7776%0.762SS**SBendtrans-134.7125.4177.1-71.2-179.2179.3175.20110.3Y15K13-Y15 PolarHBondContact O-N 3.42Å
14S54.1Low52.2Low129 Ų129151.3 Ų151.390%0.90276%0.762SS**  trans-63.678171460000110.4
15Y52.8Low52.2Low206 Ų206149.5 Ų149.581%0.80876%0.758SS**  trans-83.7115.6170.4-140.5-96.1000107.5K13 W17K13-Y15 PolarHBondContact O-N 3.42Å; Y15-W17 PolarHBondContact O-N 3.14Å
16V58.6Low52.2Low123 Ų123143.5 Ų143.575%0.74574%0.737SS**  trans-56.2106.8167.4177.50000106.6K18V16-K18 PolarHBondContact O-N 3.23Å; V16-K18 VanDerWaalsContact O-N 3.16Å
17W48.2Very low52.4Low199 Ų199138.3 Ų138.375%0.75472%0.715SS**PPolyproline II helixtrans-59.4119-178.3-176.389.5000109Y15 P19Y15-W17 PolarHBondContact O-N 3.14Å; W17-P19 HydrophobicContact CE3-CB 4.45Å; W17-P19 HydrophobicContact CH2-CB 3.58Å; W17-P19 HydrophobicContact CZ2-CB 4.35Å; W17-P19 HydrophobicContact CZ3-CB 3.63Å; W17-P19 HydrophobicContact CZ3-CG 4.11Å
18K55.6Low52.6Low171 Ų171137.3 Ų137.374%0.74371%0.708SS**PPolyproline II helixtrans-100.9126.2168.3-66.6-175.6-176.7179.50107V16V16-K18 PolarHBondContact O-N 3.23Å; V16-K18 VanDerWaalsContact O-N 3.16Å
19P51.8Low52.7Low56 Ų56134.8 Ų134.836%0.36470%0.699SS.*PPolyproline II helixtrans-58.5141.8176.421.9-30.7000109.9W17 I21W17-P19 HydrophobicContact CE3-CB 4.45Å; W17-P19 HydrophobicContact CH2-CB 3.58Å; W17-P19 HydrophobicContact CZ2-CB 4.35Å; W17-P19 HydrophobicContact CZ3-CB 3.63Å; W17-P19 HydrophobicContact CZ3-CG 4.11Å; P19-I21 PolarHBondContact O-N 3.45Å
20P57.1Low52.3Low122 Ų122134.7 Ų134.779%0.79269%0.691SS**SBendtrans-67.36.3179.926.6-33.8000114.1
21I53.8Low52.1Low108 Ų108134.5 Ų134.555%0.55468%0.684SS**SBendtrans-127.6122.6-176-61160000107.5P19 L23P19-I21 PolarHBondContact O-N 3.45Å; I21-L23 PolarHBondContact O-N 2.9Å; I21-L23 VanDerWaalsContact O-N 3.11Å
22K52Low52.3Low180 Ų180133.5 Ų133.578%0.78368%0.68SS**  trans-64111.8165.8-68.1-180-178.5177.20106.5F24 D25K22-F24 PolarHBondContact O-N 3.09Å; K22-D25 PolarHBondContact O-N 3.27Å
23L51.4Low52.3Low131 Ų131134.8 Ų134.869%0.68668%0.678SS**G310 helixtrans-57.3-5.5-179.2-70.7168.3000114.6I21 D25I21-L23 PolarHBondContact O-N 2.9Å; I21-L23 VanDerWaalsContact O-N 3.11Å; L23-D25 VanDerWaalsContact C-N 3.33Å
24F51.9Low52.2Low203 Ų203128.9 Ų128.989%0.8966%0.658SS**G310 helixtrans-74.5-12.9171.6-74.2-80.5000114.9K22K22-F24 PolarHBondContact O-N 3.09Å
25D52.2Low52.5Low150 Ų150129.1 Ų129.180%0.80266%0.657SS**G310 helixtrans-90-1.7176.6-111.6-9.9000113.3K22 L23 S27K22-D25 PolarHBondContact O-N 3.27Å; L23-D25 VanDerWaalsContact C-N 3.33Å; D25-S27 VanDerWaalsContact C-N 3.31Å; D25-S27 PolarHBondContact O-N 3.08Å; D25-S27 VanDerWaalsContact O-N 3.09Å
26C47.2Very low52.6Low65 Ų65122.7 Ų122.744%0.43964%0.639SS.*SBendtrans-75.690.1160.2-64.30000106.7S28C26-S28 PolarHBondContact O-N 3.08Å
27S48.7Very low52.5Low70 Ų70121.8 Ų121.849%0.4963%0.63SS.*  trans-44.4132.117153.50000108.9D25 E29 Y30D25-S27 VanDerWaalsContact C-N 3.31Å; D25-S27 PolarHBondContact O-N 3.08Å; D25-S27 VanDerWaalsContact O-N 3.09Å; S27-E29 PolarHBondContact O-N 3Å; S27-Y30 WeakPolarHBondContact O-CB 3.34Å; S27-Y30 PolarHBondContact O-N 3.43Å
28S50.4Low52.9Low89 Ų89117.1 Ų117.162%0.62261%0.613SS**THydrogen-bonded Turntrans-49-19.7177.652.70000114C26 Y30 L31 Q32C26-S28 PolarHBondContact O-N 3.08Å; S28-Y30 VanDerWaalsContact C-N 3.3Å; S28-Y30 PolarHBondContact O-N 2.96Å; S28-L31 PolarHBondContact O-N 3.49Å; S28-Q32 PolarHBondContact O-N 3.43Å
29E51.7Low53.1Low134 Ų134112 Ų11263%0.62660%0.598SS**Hα-helixtrans-66.8-24.3172.5-57.9-159.5178.400114.4S27 L31 Q32S27-E29 PolarHBondContact O-N 3Å; E29-L31 VanDerWaalsContact C-N 3.27Å; E29-L31 PolarHBondContact O-N 3.01Å; E29-Q32 PolarHBondContact O-N 3.26Å
30Y51.3Low53.5Low131 Ų131115.7 Ų115.751%0.51462%0.615SS.*Hα-helixtrans-72.6-25176-155.6-89.2000111.5S27 S28 C34 L93S27-Y30 WeakPolarHBondContact O-CB 3.34Å; S27-Y30 PolarHBondContact O-N 3.43Å; S28-Y30 VanDerWaalsContact C-N 3.3Å; S28-Y30 PolarHBondContact O-N 2.96Å; Y30-C34 PolarHBondContact O-SG 3.4Å; Y30-C34 VanDerWaalsContact O-SG 3.4Å; Y30-L93 HydrophobicContact CE2-CD1 3.78Å
31L49.8Very low53.4Low97 Ų97116 Ų11651%0.50861%0.609SS.*Hα-helixtrans-86.9-19.1176.8-63.1173.6000112.8S28 E29 Y38S28-L31 PolarHBondContact O-N 3.49Å; E29-L31 VanDerWaalsContact C-N 3.27Å; E29-L31 PolarHBondContact O-N 3.01Å; L31-Y38 WeakPolarHBondContact CA-OH 3.3Å; L31-Y38 WeakPolarHBondContact CB-OH 3.36Å; L31-Y38 HydrophobicContact CD2-CE1 4.03Å; L31-Y38 WeakPolarHBondContact CD2-OH 3.37Å; L31-Y38 PolarHBondContact O-OH 3.24Å
32Q51.8Low53.6Low152 Ų152117.9 Ų117.971%0.7162%0.615SS**Hα-helixtrans-78.5-19.4177.5-76.7179.3-21.700113.7S28 E29S28-Q32 PolarHBondContact O-N 3.43Å; E29-Q32 PolarHBondContact O-N 3.26Å
33N55.4Low54.1Low138 Ų138114.1 Ų114.174%0.73860%0.604SS**SBendtrans-110.48.3-174.2-69.9-26.3000113.9P35N33-P35 WeakPolarHBondContact O-CD 3.48Å
34C51.5Low54.4Low52 Ų52113.1 Ų113.135%0.35161%0.605SS.*  trans-80.1120.1171.7-74.80000109.4Y30 V36Y30-C34 PolarHBondContact O-SG 3.4Å; Y30-C34 VanDerWaalsContact O-SG 3.4Å; C34-V36 PolarHBondContact O-N 3.01Å
35P59.1Low54.5Low134 Ų134110 Ų11087%0.8759%0.591SS**  trans-73.30.4173.731.1-35.2000113N33 D37N33-P35 WeakPolarHBondContact O-CD 3.48Å; P35-D37 PolarHBondContact O-N 3.13Å
36V55.6Low54.9Low72 Ų72111.1 Ų111.144%0.43660%0.598SS.*SBendtrans-86.3111-178.9-175.20000108C34 Y38 L41C34-V36 PolarHBondContact O-N 3.01Å; V36-Y38 PolarHBondContact O-N 2.95Å; V36-L41 HydrophobicContact CG1-CD1 3.82Å
37D55.5Low55.7Low104 Ų104112.3 Ų112.356%0.55661%0.607SS**  trans-54.7119.1173-169.51.1000109.4P35 S39 L40P35-D37 PolarHBondContact O-N 3.13Å; D37-S39 PolarHBondContact O-N 3.06Å; D37-S39 VanDerWaalsContact O-N 3.12Å; D37-S39 PolarHBondContact OD1-OG 3.36Å; D37-S39 PolarHBondContact OD2-OG 3.27Å; D37-L40 HydrophobicContact CB-CD1 4.24Å; D37-L40 HydrophobicContact CB-CG 4.29Å; D37-L40 VanDerWaalsContact O-CB 3.29Å; D37-L40 WeakPolarHBondContact O-CB 3.46Å; D37-L40 PolarHBondContact O-N 3.35Å
38Y57.3Low56.2Low101 Ų101117.5 Ų117.540%0.39662%0.62SS.*G310 helixtrans-62.7-20.6-174.1-74.1-77.1000112.6L31 V36 L40 L41 E42L31-Y38 WeakPolarHBondContact CA-OH 3.3Å; L31-Y38 WeakPolarHBondContact CB-OH 3.36Å; L31-Y38 HydrophobicContact CD2-CE1 4.03Å; L31-Y38 WeakPolarHBondContact CD2-OH 3.37Å; L31-Y38 PolarHBondContact O-OH 3.24Å; V36-Y38 PolarHBondContact O-N 2.95Å; Y38-L40 PolarHBondContact O-N 2.9Å; Y38-L41 PolarHBondContact O-N 3.48Å; Y38-E42 PolarHBondContact O-N 3.48Å
39S59.3Low56.9Low62 Ų62116.2 Ų116.243%0.43461%0.61SS.*G310 helixtrans-57.5-23.6170.167.60000113.1D37D37-S39 PolarHBondContact O-N 3.06Å; D37-S39 VanDerWaalsContact O-N 3.12Å; D37-S39 PolarHBondContact OD1-OG 3.36Å; D37-S39 PolarHBondContact OD2-OG 3.27Å
40L60.2Low57.5Low135 Ų135119.3 Ų119.371%0.70762%0.624SS**G310 helixtrans-85.6-14.6176.6-55.8175.7000113.2D37 Y38D37-L40 HydrophobicContact CB-CD1 4.24Å; D37-L40 HydrophobicContact CB-CG 4.29Å; D37-L40 VanDerWaalsContact O-CB 3.29Å; D37-L40 WeakPolarHBondContact O-CB 3.46Å; D37-L40 PolarHBondContact O-N 3.35Å; Y38-L40 PolarHBondContact O-N 2.9Å
41L56.6Low58.5Low129 Ų129119.2 Ų119.268%0.67564%0.637SS**THydrogen-bonded Turntrans-95.1-14.7172.6-103.381.6000112.7V36 Y38 N43V36-L41 HydrophobicContact CG1-CD1 3.82Å; Y38-L41 PolarHBondContact O-N 3.48Å; L41-N43 PolarHBondContact O-N 3.38Å
42E57.1Low59.3Low146 Ų146121.1 Ų121.168%0.68264%0.639SS**SBendtrans-64.9119.1168.1-70.2-168.3166.700108.3Y38 P44Y38-E42 PolarHBondContact O-N 3.48Å; E42-P44 WeakPolarHBondContact O-CD 3.43Å
43N61.4Low60.7Low101 Ų101117.2 Ų117.254%0.5462%0.622SS.*  trans-57.3109.5174.5179.519.7000108L41 F45L41-N43 PolarHBondContact O-N 3.38Å; N43-F45 PolarHBondContact ND2-O 3.4Å; N43-F45 PolarHBondContact O-N 3.23Å; N43-F45 WeakPolarHBondContact OD1-CD2 3.43Å; N43-F45 PolarHBondContact OD1-N 2.92Å
44P59.5Low61.9Low111 Ų111115.1 Ų115.172%0.72162%0.616SS**SBendtrans-66.9-10-175.628.6-34.3000111.6E42 N46E42-P44 WeakPolarHBondContact O-CD 3.43Å; P44-N46 PolarHBondContact O-N 2.98Å
45F53.2Low63.3Low136 Ų136120.6 Ų120.660%0.59663%0.634SS**  trans-93.986.8175.1-51.5-68.7000109.6N43 S47N43-F45 PolarHBondContact ND2-O 3.4Å; N43-F45 PolarHBondContact O-N 3.23Å; N43-F45 WeakPolarHBondContact OD1-CD2 3.43Å; N43-F45 PolarHBondContact OD1-N 2.92Å; F45-S47 PolarHBondContact O-N 3.48Å
46N60.4Low64.1Low175 Ų175120.9 Ų120.994%0.93662%0.622SS**SBendtrans-65-12.4171.3-142.81.6000111.9P44P44-N46 PolarHBondContact O-N 2.98Å
47S63.2Low64.9Low90 Ų90121.3 Ų121.363%0.62962%0.619SS**SBendtrans-115.6125.7166.659.80000110.3F45 P49F45-S47 PolarHBondContact O-N 3.48Å; S47-P49 WeakPolarHBondContact O-CD 3.37Å
48K61Low65.7Low178 Ų178118.7 Ų118.777%0.77461%0.612SS**  trans-71.1120.7165.8-66.7177.3-177.8176.70107.2E50K48-E50 PolarHBondContact O-N 2.96Å
49P63.2Low66.7Low62 Ų62121.4 Ų121.440%0.40363%0.625SS.*  trans-62.9122.617024.3-29.7000108.8S47 V51 Y52S47-P49 WeakPolarHBondContact O-CD 3.37Å; P49-V51 PolarHBondContact O-N 3.23Å; P49-Y52 HydrophobicContact CG-CE1 4.37Å; P49-Y52 HydrophobicContact CG-CE2 3.92Å; P49-Y52 WeakPolarHBondContact O-CE2 3.41Å
50E65.1Low67Low199 Ų199123.6 Ų123.693%0.9363%0.632SS**SBendtrans-69.7-17.5-179.6-70.4-179.2164.900112.9K48K48-E50 PolarHBondContact O-N 2.96Å
51V72.7Confident67Low130 Ų130123.6 Ų123.679%0.78862%0.623SS**SBendtrans-127.8112-178.8-175.50000109.2P49P49-V51 PolarHBondContact O-N 3.23Å
52Y65.8Low67.5Low137 Ų137125 Ų12554%0.53763%0.625SS.*  trans-89.3126.3173.4-85.1-94.9000110.2P49P49-Y52 HydrophobicContact CG-CE1 4.37Å; P49-Y52 HydrophobicContact CG-CE2 3.92Å; P49-Y52 WeakPolarHBondContact O-CE2 3.41Å
53D81.3Confident67.8Low69 Ų69121.2 Ų121.237%0.36963%0.626SS.*  trans-76.6118.9170.6179.5-0.7000108.4K55 K56 E57D53-K55 PolarHBondContact O-N 3.06Å; D53-K55 PolarHBondContact OD1-N 2.99Å; D53-K56 HydrophobicContact CB-CB 4.26Å; D53-K56 HydrophobicContact CB-CD 4.04Å; D53-K56 HydrophobicContact CB-CG 4.03Å; D53-K56 PolarHBondContact O-N 2.95Å; D53-E57 PolarHBondContact O-N 3.33Å
54P80.3Confident67.7Low94 Ų94122.1 Ų122.161%0.6163%0.63SS**Hα-helixtrans-57.6-26.1-174.721.3-33.3000112.7A58P54-A58 VanDerWaalsContact O-CB 3.28Å; P54-A58 WeakPolarHBondContact O-CB 3.32Å; P54-A58 PolarHBondContact O-N 3.5Å
55K81.7Confident66.9Low167 Ų167119.5 Ų119.573%0.72662%0.624SS**Hα-helixtrans-72.1-38.5175.9-66.6180-180176.70112.7D53 K59D53-K55 PolarHBondContact O-N 3.06Å; D53-K55 PolarHBondContact OD1-N 2.99Å; K55-K59 WeakPolarHBondContact O-CB 3.45Å; K55-K59 PolarHBondContact O-N 3.48Å
56K75.1Confident66.6Low140 Ų140120.1 Ų120.161%0.60963%0.632SS**Hα-helixtrans-72.3-39.2178-66.6-177.7-173.5173.20110.6D53 K59 L60D53-K56 HydrophobicContact CB-CB 4.26Å; D53-K56 HydrophobicContact CB-CD 4.04Å; D53-K56 HydrophobicContact CB-CG 4.03Å; D53-K56 PolarHBondContact O-N 2.95Å; K56-K59 PolarHBondContact O-N 3.4Å; K56-L60 WeakPolarHBondContact O-CG 3.27Å; K56-L60 PolarHBondContact O-N 2.98Å
57E72.9Confident65.5Low82 Ų82118.5 Ų118.538%0.38362%0.622SS.*Hα-helixtrans-60.8-52172.3180170-164.700110.9D53 K59 L60 W61D53-E57 PolarHBondContact O-N 3.33Å; E57-K59 PolarHBondContact O-N 3.31Å; E57-L60 WeakPolarHBondContact O-CB 3.38Å; E57-L60 PolarHBondContact O-N 3.43Å; E57-W61 PolarHBondContact O-N 3.01Å; E57-W61 PolarHBondContact OE1-NE1 3.08Å
58A73Confident64.6Low48 Ų48120.1 Ų120.140%0.39763%0.629SS.*Hα-helixtrans-56.6-36.8175.900000112.8P54 W61 Q62P54-A58 VanDerWaalsContact O-CB 3.28Å; P54-A58 WeakPolarHBondContact O-CB 3.32Å; P54-A58 PolarHBondContact O-N 3.5Å; A58-W61 PolarHBondContact O-N 2.88Å; A58-Q62 WeakPolarHBondContact O-CB 3.43Å; A58-Q62 VanDerWaalsContact O-CG 3.25Å; A58-Q62 WeakPolarHBondContact O-CG 3.32Å; A58-Q62 PolarHBondContact O-N 3.31Å
59K76.8Confident63.7Low158 Ų158117.8 Ų117.869%0.68763%0.629SS**Hα-helixtrans-69.5-37.8175.8-169.3171.5-176.6175.60112.9K55 K56 E57 Q62 G63K55-K59 WeakPolarHBondContact O-CB 3.45Å; K55-K59 PolarHBondContact O-N 3.48Å; K56-K59 PolarHBondContact O-N 3.4Å; E57-K59 PolarHBondContact O-N 3.31Å; K59-Q62 PolarHBondContact O-N 2.98Å; K59-G63 PolarHBondContact O-N 3.27Å
60L66.7Low62.8Low109 Ų109120.9 Ų120.957%0.57164%0.642SS**Hα-helixtrans-64.5-44.4173.2-76.5166.5000110.9K56 E57 Q62 G63 L64K56-L60 WeakPolarHBondContact O-CG 3.27Å; K56-L60 PolarHBondContact O-N 2.98Å; E57-L60 WeakPolarHBondContact O-CB 3.38Å; E57-L60 PolarHBondContact O-N 3.43Å; L60-Q62 VanDerWaalsContact C-N 3.32Å; L60-Q62 PolarHBondContact O-N 3.3Å; L60-G63 PolarHBondContact O-N 2.93Å; L60-G63 VanDerWaalsContact O-N 3.15Å; L60-L64 PolarHBondContact O-N 2.85Å
61W60.7Low61.5Low135 Ų135118.5 Ų118.551%0.51164%0.642SS.*Hα-helixtrans-67.9-28.5176.1-69113.9000113.3E57 A58 G63 L64 L67E57-W61 PolarHBondContact O-N 3.01Å; E57-W61 PolarHBondContact OE1-NE1 3.08Å; A58-W61 PolarHBondContact O-N 2.88Å; W61-G63 VanDerWaalsContact C-N 3.33Å; W61-L64 CarbonylContact O-C 3.58Å; W61-L64 VanDerWaalsContact O-O 3.14Å; W61-L67 HydrophobicContact CE3-CD1 4.39Å; W61-L67 HydrophobicContact CZ3-CD1 3.83Å
62Q66.6Low60.2Low157 Ų157116.1 Ų116.173%0.73463%0.631SS**Hα-helixtrans-67.6-32.7170.6-80.2173.13.400112.7A58 K59 L60A58-Q62 WeakPolarHBondContact O-CB 3.43Å; A58-Q62 VanDerWaalsContact O-CG 3.25Å; A58-Q62 WeakPolarHBondContact O-CG 3.32Å; A58-Q62 PolarHBondContact O-N 3.31Å; K59-Q62 PolarHBondContact O-N 2.98Å; L60-Q62 VanDerWaalsContact C-N 3.32Å; L60-Q62 PolarHBondContact O-N 3.3Å
63G64Low58.9Low68 Ų68119 Ų11970%0.70165%0.649SS**Hα-helixtrans-78.7-32.217700000113.7K59 L60 W61 G65K59-G63 PolarHBondContact O-N 3.27Å; L60-G63 PolarHBondContact O-N 2.93Å; L60-G63 VanDerWaalsContact O-N 3.15Å; W61-G63 VanDerWaalsContact C-N 3.33Å; G63-G65 VanDerWaalsContact C-N 3.33Å; G63-G65 PolarHBondContact O-N 3.44Å
64L59.6Low57.1Low120 Ų120122 Ų12263%0.62866%0.664SS**SBendtrans-86.673.8172.7-67.2169.9000109.3L60 W61L60-L64 PolarHBondContact O-N 2.85Å; W61-L64 CarbonylContact O-C 3.58Å; W61-L64 VanDerWaalsContact O-O 3.14Å
65G41.7Very low55.2Low56 Ų56125.6 Ų125.658%0.57768%0.678SS**  trans-46.6143.9-174.500000114.6G63G63-G65 VanDerWaalsContact C-N 3.33Å; G63-G65 PolarHBondContact O-N 3.44Å
66I46.4Very low53.4Low149 Ų149121.9 Ų121.976%0.76467%0.673SS**  trans83.370.2162.5-37.5164.3000115.7
67L38.6Very low52.3Low140 Ų140124.9 Ų124.973%0.73369%0.689SS**  trans-137.178.2150.3-71.9176.7000109.5W61W61-L67 HydrophobicContact CE3-CD1 4.39Å; W61-L67 HydrophobicContact CZ3-CD1 3.83Å
68T43Very low51.3Low125 Ų125129.7 Ų129.777%0.76771%0.709SS**  trans-96114.8167.250.70000109.2N70T68-N70 PolarHBondContact O-N 3.39Å
69T41.7Very low50.3Low129 Ų129132.7 Ų132.779%0.79172%0.724SS**  trans-8125.3-177.550.30000114.1
70N44.5Very low49.2Very low126 Ų126129.5 Ų129.567%0.67472%0.72SS**  trans-106.1100-172.5-66.5-11.8000110.3T68 S72T68-N70 PolarHBondContact O-N 3.39Å; N70-S72 VanDerWaalsContact C-N 3.27Å; N70-S72 PolarHBondContact O-N 2.87Å
71T38.7Very low48.7Very low149 Ų149127.7 Ų127.791%0.91472%0.716SS**  trans-59.586.8160.444.90000109.4
72S44.2Very low48.3Very low81 Ų81130.5 Ų130.557%0.56674%0.735SS**  trans-150118.2160.257.10000106.8N70 I74N70-S72 VanDerWaalsContact C-N 3.27Å; N70-S72 PolarHBondContact O-N 2.87Å; S72-I74 PolarHBondContact O-N 3.3Å
73E39.3Very low47.6Very low197 Ų197127.5 Ų127.592%0.92172%0.724SS**  trans-27.3113.6169.5-64.8155.3-170.900112.7
74I44.6Very low47.3Very low131 Ų131129.1 Ų129.167%0.67272%0.722SS**  trans-125.795.2165.5-61.1172.4000106.7S72 S76S72-I74 PolarHBondContact O-N 3.3Å; I74-S76 PolarHBondContact O-N 3.42Å; I74-S76 PolarHBondContact O-OG 3.03Å
75D38.9Very low46.9Very low170 Ų170132.7 Ų132.791%0.90973%0.729SS**  trans-53.2103.2152.2-68-33.5000107.6
76S45.3Very low47.3Very low89 Ų89139.3 Ų139.362%0.62274%0.738SS**  trans-123.586.3179.239.20000110.3I74 K78I74-S76 PolarHBondContact O-N 3.42Å; I74-S76 PolarHBondContact O-OG 3.03Å; S76-K78 PolarHBondContact O-N 2.89Å
77E51.7Low47.3Very low204 Ų204136.7 Ų136.795%0.95372%0.724SS**  trans-70.959.5159.8-64.3-165.7159.700110.8
78K51.9Low48Very low183 Ų183135.9 Ų135.980%0.79673%0.726SS**  trans-115.5125.6171.4-112.2174.8-178.2172.50109.6S76S76-K78 PolarHBondContact O-N 2.89Å
79P51.5Low48.7Very low110 Ų110135.3 Ų135.371%0.71473%0.727SS**  trans-61146.8177.627.3-32.8000109.1S81P79-S81 PolarHBondContact O-N 3.12Å; P79-S81 VanDerWaalsContact O-N 3.16Å
80P52.8Low49.7Very low92 Ų92134.8 Ų134.860%0.59772%0.723SS**  trans-55.4125176.523.6-31.8000108.9E82 L87P80-E82 PolarHBondContact O-N 2.93Å; P80-L87 HydrophobicContact CB-CD2 3.26Å
81S56Low50.9Low70 Ų70133.7 Ų133.749%0.4972%0.723SS.*  trans-40.9135177.156.20000112.1P79 N83P79-S81 PolarHBondContact O-N 3.12Å; P79-S81 VanDerWaalsContact O-N 3.16Å; S81-N83 PolarHBondContact O-N 3.4Å
82E54.2Low52.3Low194 Ų194130 Ų13091%0.90771%0.708SS**  trans-6340.6178.3-60.2173.3154.500114.2P80 P84P80-E82 PolarHBondContact O-N 2.93Å; E82-P84 WeakPolarHBondContact O-CD 3.48Å
83N51.2Low53.6Low94 Ų94132.5 Ų132.550%0.50371%0.714SS.*  trans-89.3104.4172.1-76.5-16.1000108.6S81 Y85 Y86S81-N83 PolarHBondContact O-N 3.4Å; N83-Y85 PolarHBondContact O-N 2.77Å; N83-Y86 PolarHBondContact O-N 3Å
84P57.3Low55.6Low103 Ų103127.5 Ų127.567%0.66969%0.691SS**THydrogen-bonded Turntrans-67.1-10.2-177.928.5-35.2000113E82E82-P84 WeakPolarHBondContact O-CD 3.48Å
85Y51.4Low57.6Low194 Ų194124.5 Ų124.576%0.76168%0.681SS**THydrogen-bonded Turntrans-95.5-18.7-174.2-67.6-76.5000114.5N83N83-Y85 PolarHBondContact O-N 2.77Å
86Y50.9Low60Low196 Ų196125.9 Ų125.977%0.76968%0.679SS**THydrogen-bonded Turntrans-138.1-0.8-166-60.6-70000117.2N83N83-Y86 PolarHBondContact O-N 3Å
87L46Very low62.2Low93 Ų93130.9 Ų130.949%0.48768%0.684SS.*  trans-138.341.4-175.1-122.898.3000115.9P80P80-L87 HydrophobicContact CB-CD2 3.26Å
88T53.4Low64Low123 Ų123123.7 Ų123.776%0.75565%0.651SS**  trans-116.497.6152.8-160000104.9V90T88-V90 VanDerWaalsContact C-N 3.34Å; T88-V90 PolarHBondContact O-N 3.18Å
89S56.9Low65.9Low114 Ų114118.1 Ų118.180%0.79763%0.629SS**  trans-58.7105.9171.846.90000106.6P91S89-P91 VanDerWaalsContact O-N 3.07Å
90V63.3Low67.9Low117 Ų117118.6 Ų118.671%0.70962%0.62SS**PPolyproline II helixtrans-49.4123.6166.3179.80000104.5T88 A92T88-V90 VanDerWaalsContact C-N 3.34Å; T88-V90 PolarHBondContact O-N 3.18Å; V90-A92 PolarHBondContact O-N 3.38Å; V90-A92 VanDerWaalsContact O-N 3.12Å
91P68.3Low69.9Low104 Ų104120.5 Ų120.568%0.67562%0.615SS**PPolyproline II helixtrans-51.3130-177.220.4-32.2000107.5S89 L93S89-P91 VanDerWaalsContact O-N 3.07Å; P91-L93 PolarHBondContact O-N 3.43Å; P91-L93 VanDerWaalsContact O-N 3.07Å
92A69.1Low71.7Confident72 Ų72119.7 Ų119.760%0.59561%0.605SS**PPolyproline II helixtrans-47.6123.9-17400000109V90 H94V90-A92 PolarHBondContact O-N 3.38Å; V90-A92 VanDerWaalsContact O-N 3.12Å; A92-H94 PolarHBondContact O-N 3.24Å
93L72.3Confident73.5Confident133 Ų133117.2 Ų117.270%0.69659%0.587SS**  trans-61.2101.4-179.7-73.3172.8000108.3Y30 P91 S95Y30-L93 HydrophobicContact CE2-CD1 3.78Å; P91-L93 PolarHBondContact O-N 3.43Å; P91-L93 VanDerWaalsContact O-N 3.07Å; L93-S95 PolarHBondContact O-N 2.68Å
94H80Confident75.5Confident92 Ų92119.5 Ų119.543%0.42659%0.589SS.*  trans-70.9131.2178.8-71.6-55.5000109.3A92 E98 L99A92-H94 PolarHBondContact O-N 3.24Å; H94-E98 HydrophobicContact CB-CB 4Å; H94-E98 HydrophobicContact CB-CG 4.19Å; H94-L99 HydrophobicContact CB-CD2 3.61Å; H94-L99 HydrophobicContact CB-CG 3.65Å
95S87.8Confident77.2Confident68 Ų68117.4 Ų117.448%0.47658%0.58SS.*  trans-55155.1170.474.30000110.7L93 R97 E98 L99L93-S95 PolarHBondContact O-N 2.68Å; S95-R97 PolarHBondContact O-N 3.09Å; S95-R97 PolarHBondContact OG-N 3.15Å; S95-E98 PolarHBondContact O-N 2.76Å; S95-E98 PolarHBondContact OG-N 3.21Å; S95-E98 VanDerWaalsContact OG-N 3.13Å; S95-L99 PolarHBondContact O-N 3.03Å
96K88.9Confident79.1Confident199 Ų199113.5 Ų113.587%0.86557%0.569SS**Hα-helixtrans-50.9-32.5174.6-67.5-178.9-179.2174.10112.2K100K96-K100 WeakPolarHBondContact O-CB 3.48Å; K96-K100 PolarHBondContact O-N 3.05Å
97R91.6Very high81Confident193 Ų193112.9 Ų112.973%0.72857%0.565SS**Hα-helixtrans-71.1-42.8176.5-174.3178.7-178.8-177.80.3112.3S95 K100 R101S95-R97 PolarHBondContact O-N 3.09Å; S95-R97 PolarHBondContact OG-N 3.15Å; R97-K100 WeakPolarHBondContact O-CB 3.23Å; R97-K100 PolarHBondContact O-N 2.92Å; R97-R101 PolarHBondContact O-N 2.97Å; R97-R101 VanDerWaalsContact O-N 3.09Å
98E89.5Confident83.1Confident54 Ų54115.3 Ų115.325%0.25257%0.572SS.*Hα-helixtrans-66.6-46.2178.9-166.459.2-131.500111.1H94 S95 K100 R101 I102H94-E98 HydrophobicContact CB-CB 4Å; H94-E98 HydrophobicContact CB-CG 4.19Å; S95-E98 PolarHBondContact O-N 2.76Å; S95-E98 PolarHBondContact OG-N 3.21Å; S95-E98 VanDerWaalsContact OG-N 3.13Å; E98-K100 PolarHBondContact O-N 3.32Å; E98-R101 WeakPolarHBondContact O-CA 3.41Å; E98-R101 WeakPolarHBondContact O-CB 3.35Å; E98-R101 PolarHBondContact O-N 2.85Å; E98-R101 IonicContact OE1-CZ 3.04Å; E98-R101 IonicContact OE1-NH1 3.03Å; E98-R101 PolarHBondContact OE1-NH1 2.78Å; E98-R101 IonicContact OE2-CZ 3.53Å; E98-R101 IonicContact OE2-NH1 2.62Å; E98-R101 PolarHBondContact OE2-NH1 3.37Å; E98-I102 HydrophobicContact CG-CD1 4.13Å; E98-I102 WeakPolarHBondContact O-CG1 3.34Å; E98-I102 PolarHBondContact O-N 3.21Å
99L91.6Very high84.9Confident65 Ų65111.9 Ų111.934%0.3455%0.553SS.*Hα-helixtrans-55.4-39.2173.4-69.5174.4000112.1H94 S95 R101 R103H94-L99 HydrophobicContact CB-CD2 3.61Å; H94-L99 HydrophobicContact CB-CG 3.65Å; S95-L99 PolarHBondContact O-N 3.03Å; L99-R101 VanDerWaalsContact C-N 3.33Å; L99-R101 PolarHBondContact O-N 2.96Å; L99-R103 WeakPolarHBondContact O-CB 3.27Å; L99-R103 VanDerWaalsContact O-CG 3.26Å; L99-R103 WeakPolarHBondContact O-CG 3.48Å; L99-R103 PolarHBondContact O-N 2.81Å; L99-R103 VanDerWaalsContact O-N 3.07Å
100K93.6Very high86.6Confident120 Ų120111.6 Ų111.652%0.52254%0.537SS..Hα-helixtrans-67.4-32.2175.6-168.6176-172.81760112.3K96 R97 E98 R104K96-K100 WeakPolarHBondContact O-CB 3.48Å; K96-K100 PolarHBondContact O-N 3.05Å; R97-K100 WeakPolarHBondContact O-CB 3.23Å; R97-K100 PolarHBondContact O-N 2.92Å; E98-K100 PolarHBondContact O-N 3.32Å; K100-R104 WeakPolarHBondContact O-CD 3.2Å; K100-R104 WeakPolarHBondContact O-CG 3.34Å; K100-R104 PolarHBondContact O-N 3.09Å
101R94.9Very high88Confident132 Ų132109 Ų10950%0.49852%0.519SS..Hα-helixtrans-71.9-48.7175.8-171.9-171.1-67.6139.9-0.2110.9R97 E98 L99 R103 R104 A105R97-R101 PolarHBondContact O-N 2.97Å; R97-R101 VanDerWaalsContact O-N 3.09Å; E98-R101 WeakPolarHBondContact O-CA 3.41Å; E98-R101 WeakPolarHBondContact O-CB 3.35Å; E98-R101 PolarHBondContact O-N 2.85Å; E98-R101 IonicContact OE1-CZ 3.04Å; E98-R101 IonicContact OE1-NH1 3.03Å; E98-R101 PolarHBondContact OE1-NH1 2.78Å; E98-R101 IonicContact OE2-CZ 3.53Å; E98-R101 IonicContact OE2-NH1 2.62Å; E98-R101 PolarHBondContact OE2-NH1 3.37Å; L99-R101 VanDerWaalsContact C-N 3.33Å; L99-R101 PolarHBondContact O-N 2.96Å; R101-R103 PolarHBondContact O-N 3.45Å; R101-R104 WeakPolarHBondContact O-CB 3.29Å; R101-R104 PolarHBondContact O-N 2.79Å; R101-R104 VanDerWaalsContact O-N 3.08Å; R101-A105 PolarHBondContact O-N 3.2Å
102I93.3Very high89.1Confident53 Ų53108.2 Ų108.227%0.27252%0.516SS..Hα-helixtrans-56.4-51.8178.2-65.2168.3000110.1E98 R104 A105 E106E98-I102 HydrophobicContact CG-CD1 4.13Å; E98-I102 WeakPolarHBondContact O-CG1 3.34Å; E98-I102 PolarHBondContact O-N 3.21Å; I102-R104 PolarHBondContact O-N 2.98Å; I102-R104 VanDerWaalsContact O-N 3.15Å; I102-A105 WeakPolarHBondContact O-CA 3.36Å; I102-A105 WeakPolarHBondContact O-CB 3.32Å; I102-A105 PolarHBondContact O-N 3.1Å; I102-E106 HydrophobicContact CG2-CG 4.38Å; I102-E106 WeakPolarHBondContact CG2-OE1 3.44Å; I102-E106 WeakPolarHBondContact O-CG 3.39Å; I102-E106 PolarHBondContact O-N 3.4Å
103R92.5Very high90.2Very high142 Ų142112 Ų11254%0.53653%0.527SS..Hα-helixtrans-57.5-32.8176.3-71.1174.8-171.5170.83113.9L99 R101 R107L99-R103 WeakPolarHBondContact O-CB 3.27Å; L99-R103 VanDerWaalsContact O-CG 3.26Å; L99-R103 WeakPolarHBondContact O-CG 3.48Å; L99-R103 PolarHBondContact O-N 2.81Å; L99-R103 VanDerWaalsContact O-N 3.07Å; R101-R103 PolarHBondContact O-N 3.45Å; R103-R107 WeakPolarHBondContact O-CB 3.48Å; R103-R107 VanDerWaalsContact O-CG 3.24Å; R103-R107 WeakPolarHBondContact O-CG 3.28Å; R103-R107 PolarHBondContact O-N 2.87Å
104R93.3Very high91.3Very high142 Ų142113.3 Ų113.354%0.53652%0.522SS..Hα-helixtrans-74.4-35.8175.5-77.3170.1175.3179.8-5.1111.7K100 R101 I102 K108K100-R104 WeakPolarHBondContact O-CD 3.2Å; K100-R104 WeakPolarHBondContact O-CG 3.34Å; K100-R104 PolarHBondContact O-N 3.09Å; R101-R104 WeakPolarHBondContact O-CB 3.29Å; R101-R104 PolarHBondContact O-N 2.79Å; R101-R104 VanDerWaalsContact O-N 3.08Å; I102-R104 PolarHBondContact O-N 2.98Å; I102-R104 VanDerWaalsContact O-N 3.15Å; R104-K108 VanDerWaalsContact O-CG 3.29Å; R104-K108 WeakPolarHBondContact O-CG 3.38Å; R104-K108 PolarHBondContact O-N 3.2Å
105A92.8Very high92Very high59 Ų59118 Ų11849%0.48854%0.542SS..Hα-helixtrans-67.2-46175.700000110.7R101 I102 R107 K108 S109R101-A105 PolarHBondContact O-N 3.2Å; I102-A105 WeakPolarHBondContact O-CA 3.36Å; I102-A105 WeakPolarHBondContact O-CB 3.32Å; I102-A105 PolarHBondContact O-N 3.1Å; A105-R107 PolarHBondContact O-N 3.32Å; A105-K108 WeakPolarHBondContact O-CB 3.49Å; A105-K108 PolarHBondContact O-N 3Å; A105-S109 PolarHBondContact O-N 2.94Å
106E91Very high92.2Very high112 Ų112119.1 Ų119.152%0.52354%0.542SS..Hα-helixtrans-58.4-42.6175.1-68.9169.7169.200112.5I102 K108 S109I102-E106 HydrophobicContact CG2-CG 4.38Å; I102-E106 WeakPolarHBondContact CG2-OE1 3.44Å; I102-E106 WeakPolarHBondContact O-CG 3.39Å; I102-E106 PolarHBondContact O-N 3.4Å; E106-K108 PolarHBondContact O-N 3.1Å; E106-S109 PolarHBondContact O-N 3.48Å; E106-S109 PolarHBondContact O-OG 3.31Å
107R90.4Very high92.5Very high184 Ų184111.4 Ų111.469%0.69451%0.51SS*.Hα-helixtrans-67.3-23.8175.1-74175.2-168.7153.71.3113.8R103 A105 K110R103-R107 WeakPolarHBondContact O-CB 3.48Å; R103-R107 VanDerWaalsContact O-CG 3.24Å; R103-R107 WeakPolarHBondContact O-CG 3.28Å; R103-R107 PolarHBondContact O-N 2.87Å; A105-R107 PolarHBondContact O-N 3.32Å; R107-K110 VanDerWaalsContact O-O 3.13Å
108K91.1Very high92.7Very high143 Ų143104.7 Ų104.762%0.62249%0.492SS*.Hα-helixtrans-86.6-27178-76.4178.3178.8-170.40112.1R104 A105 E106 K110 Y154R104-K108 VanDerWaalsContact O-CG 3.29Å; R104-K108 WeakPolarHBondContact O-CG 3.38Å; R104-K108 PolarHBondContact O-N 3.2Å; A105-K108 WeakPolarHBondContact O-CB 3.49Å; A105-K108 PolarHBondContact O-N 3Å; E106-K108 PolarHBondContact O-N 3.1Å; K108-K110 VanDerWaalsContact C-N 3.32Å; K108-Y154 WeakPolarHBondContact O-CE1 3.3Å; K108-Y154 PolarHBondContact O-OH 3.16Å
109S91.6Very high92.9Very high51 Ų51108.9 Ų108.936%0.35751%0.505SS..Hα-helixtrans-75.3-21.1-179.262.80000113.3A105 E106 P118 R119A105-S109 PolarHBondContact O-N 2.94Å; E106-S109 PolarHBondContact O-N 3.48Å; E106-S109 PolarHBondContact O-OG 3.31Å; S109-P118 CarbonylContact O-C 3.32Å; S109-R119 WeakPolarHBondContact O-CB 3.43Å; S109-R119 PolarHBondContact O-N 3.07Å
110K93.1Very high93Very high109 Ų109107.9 Ų107.947%0.47450%0.502SS..EExtended strand (participates in β ladder)trans-126.6146.5-179.7-59.8177.1177.5-171.60112R107 K108 S112 D116 L117R107-K110 VanDerWaalsContact O-O 3.13Å; K108-K110 VanDerWaalsContact C-N 3.32Å; K110-S112 PolarHBondContact O-N 3.35Å; K110-D116 HydrophobicContact CB-CB 4.38Å; K110-D116 HydrophobicContact CD-CB 4.14Å; K110-L117 CarbonylContact C-O 3.57Å; K110-L117 WeakPolarHBondContact CA-O 3.4Å
111L92.4Very high92.9Very high61 Ų61109.3 Ų109.332%0.31952%0.516SS..EExtended strand (participates in β ladder)trans-90.890.6174.6-170.559.8000110.4N113 W114 D116 L117 Y154L111-N113 VanDerWaalsContact C-N 3.29Å; L111-N113 PolarHBondContact O-N 3.09Å; L111-W114 HydrophobicContact CD2-CB 3.76Å; L111-W114 HydrophobicContact CG-CB 3.97Å; L111-W114 CarbonylContact O-C 3.59Å; L111-W114 PolarHBondContact O-N 2.92Å; L111-D116 PolarHBondContact O-N 2.9Å; L111-L117 HydrophobicContact CB-CB 4.11Å; L111-L117 HydrophobicContact CD2-CD2 4.49Å; L111-L117 PolarHBondContact N-O 2.91Å; L111-Y154 HydrophobicContact CB-CD1 3.96Å; L111-Y154 HydrophobicContact CB-CE1 4.3Å; L111-Y154 HydrophobicContact CB-CG 4.17Å; L111-Y154 HydrophobicContact CD1-CE2 4.44Å
112S90.9Very high92.8Very high89 Ų89108.5 Ų108.562%0.62252%0.52SS*.THydrogen-bonded Turntrans-53.7-37.5-176.1520000115.1K110 W114K110-S112 PolarHBondContact O-N 3.35Å; S112-W114 PolarHBondContact O-N 3.42Å
113N92.7Very high92.9Very high152 Ų152109.4 Ų109.481%0.81353%0.528SS*.THydrogen-bonded Turntrans-73.4-7.3179.4-66-13.4000113.6L111L111-N113 VanDerWaalsContact C-N 3.29Å; L111-N113 PolarHBondContact O-N 3.09Å
114W93.6Very high93.1Very high159 Ų159110.7 Ų110.760%0.60254%0.54SS*.THydrogen-bonded Turntrans-136.569-175.7-166.2-103.8000111.1L111 S112 D116 L117L111-W114 HydrophobicContact CD2-CB 3.76Å; L111-W114 HydrophobicContact CG-CB 3.97Å; L111-W114 CarbonylContact O-C 3.59Å; L111-W114 PolarHBondContact O-N 2.92Å; S112-W114 PolarHBondContact O-N 3.42Å; W114-D116 PolarHBondContact O-N 3.34Å; W114-L117 WeakPolarHBondContact O-CB 3.38Å; W114-L117 PolarHBondContact O-N 3.2Å
115F94.9Very high93.2Very high191 Ų191109.2 Ų109.284%0.83854%0.54SS*.THydrogen-bonded Turntrans44.141.3173.6-58.1-79000114L117F115-L117 VanDerWaalsContact C-N 3.31Å; F115-L117 PolarHBondContact O-N 3.45Å
116D93.2Very high93.3Very high91 Ų91107.3 Ų107.349%0.48752%0.521SS..THydrogen-bonded Turntrans5834.6179.1-68.1-34000115.4K110 L111 W114K110-D116 HydrophobicContact CB-CB 4.38Å; K110-D116 HydrophobicContact CD-CB 4.14Å; L111-D116 PolarHBondContact O-N 2.9Å; W114-D116 PolarHBondContact O-N 3.34Å
117L95.2Very high93.4Very high37 Ų37110 Ų11019%0.19453%0.527CS..EExtended strand (participates in β ladder)trans-53.3124.1177.4-175.777000111K110 L111 W114 F115 Q156K110-L117 CarbonylContact C-O 3.57Å; K110-L117 WeakPolarHBondContact CA-O 3.4Å; L111-L117 HydrophobicContact CB-CB 4.11Å; L111-L117 HydrophobicContact CD2-CD2 4.49Å; L111-L117 PolarHBondContact N-O 2.91Å; W114-L117 WeakPolarHBondContact O-CB 3.38Å; W114-L117 PolarHBondContact O-N 3.2Å; F115-L117 VanDerWaalsContact C-N 3.31Å; F115-L117 PolarHBondContact O-N 3.45Å; L117-Q156 HydrophobicContact CD1-CB 4.02Å
118P95.1Very high93.7Very high52 Ų52105.4 Ų105.434%0.33852%0.516SS..EExtended strand (participates in β ladder)trans-74158.1-173.130-35.5000112.1S109 P120 F155S109-P118 CarbonylContact O-C 3.32Å; P118-P120 VanDerWaalsContact O-CD 3.25Å; P118-P120 WeakPolarHBondContact O-CD 3.34Å; P118-F155 PolarHBondContact O-N 2.95Å
119R94.5Very high93.9Very high143 Ų14399 Ų9954%0.5449%0.488SS..  trans-104.288.9165.3-174.7164.3-176.7-122.3-3.5108.5S109 Y154S109-R119 WeakPolarHBondContact O-CB 3.43Å; S109-R119 PolarHBondContact O-N 3.07Å; R119-Y154 HydrophobicContact CB-CD1 3.61Å; R119-Y154 HydrophobicContact CB-CE1 3.64Å; R119-Y154 HydrophobicContact CB-CG 4.43Å; R119-Y154 HydrophobicContact CG-CD1 4.41Å; R119-Y154 HydrophobicContact CG-CE1 4.37Å
120P92.9Very high94Very high43 Ų4399.7 Ų99.728%0.27949%0.488SS..  trans-69.4155179.430.3-36000111.2P118 F155P118-P120 VanDerWaalsContact O-CD 3.25Å; P118-P120 WeakPolarHBondContact O-CD 3.34Å; P120-F155 HydrophobicContact CB-CZ 4.48Å; P120-F155 VanDerWaalsContact CD-O 3.24Å; P120-F155 WeakPolarHBondContact CD-O 3.4Å; P120-F155 HydrophobicContact CG-CD1 3.91Å; P120-F155 HydrophobicContact CG-CD2 3.94Å; P120-F155 HydrophobicContact CG-CE1 3.6Å; P120-F155 HydrophobicContact CG-CE2 3.64Å; P120-F155 HydrophobicContact CG-CG 4.07Å; P120-F155 HydrophobicContact CG-CZ 3.47Å; P120-F155 VanDerWaalsContact CG-CZ 3.47Å; P120-F155 WeakPolarHBondContact CG-O 3.39Å
121D92.6Very high93.9Very high151 Ų15199.3 Ų99.381%0.80749%0.488SS*.  trans-73.7133.1165.2-65.6-38.7000108.6T123D121-T123 PolarHBondContact O-N 3.04Å
122I92.7Very high94Very high115 Ų11597.9 Ų97.959%0.5948%0.48SS*.  trans-76.3109.7-171.4-59.6170.8000108.9D126 R127 F155I122-D126 HydrophobicContact CG2-CB 4.31Å; I122-R127 HydrophobicContact CG2-CB 4.1Å; I122-F155 HydrophobicContact CG1-CE1 4.28Å; I122-F155 HydrophobicContact CG1-CZ 4.4Å
123T95.6Very high94Very high71 Ų7196.4 Ų96.444%0.43647%0.465SS..  trans-76.3167.3169.867.50000111.3D121 E125 D126 R127D121-T123 PolarHBondContact O-N 3.04Å; T123-E125 VanDerWaalsContact C-N 3.35Å; T123-D126 PolarHBondContact N-OD2 3.08Å; T123-D126 PolarHBondContact O-N 3.02Å; T123-D126 WeakPolarHBondContact OG1-CB 3.44Å; T123-D126 PolarHBondContact OG1-N 3.33Å; T123-D126 PolarHBondContact OG1-OD2 3.24Å; T123-R127 PolarHBondContact O-N 2.6Å
124E96Very high94Very high169 Ų16998.3 Ų98.379%0.7946%0.46SS*.Hα-helixtrans-61.9-42.4176.2-64.8-172.8167.100111.9D126 R127 D128E124-D126 VanDerWaalsContact C-N 3.34Å; E124-D126 PolarHBondContact O-N 3.15Å; E124-R127 WeakPolarHBondContact O-CB 3.38Å; E124-R127 PolarHBondContact O-N 2.91Å; E124-R127 VanDerWaalsContact O-N 3.16Å; E124-D128 PolarHBondContact O-N 3.46Å; E124-D128 VanDerWaalsContact O-N 3.09Å
125E95.2Very high93.8Very high111 Ų11194.9 Ų94.952%0.51945%0.453SS..Hα-helixtrans-60.5-42.7175.4-61.4-179.8-18000112T123 R127 D128 D129 R157 T179T123-E125 VanDerWaalsContact C-N 3.35Å; E125-R127 VanDerWaalsContact C-N 3.29Å; E125-R127 PolarHBondContact O-N 3.36Å; E125-D128 PolarHBondContact O-N 3.24Å; E125-D129 PolarHBondContact O-N 3.47Å; E125-R157 IonicContact OE2-NH1 3.4Å; E125-R157 PolarHBondContact OE2-NH1 2.88Å; E125-T179 HydrophobicContact CB-CG2 4.17Å; E125-T179 HydrophobicContact CG-CG2 4.45Å
126D94.4Very high93.7Very high20 Ų2088.9 Ų88.911%0.10743%0.425CS..Hα-helixtrans-64.1-37.8176.7-66.8-41.4000111.5I122 T123 E124 L130 F155 R157I122-D126 HydrophobicContact CG2-CB 4.31Å; T123-D126 PolarHBondContact N-OD2 3.08Å; T123-D126 PolarHBondContact O-N 3.02Å; T123-D126 WeakPolarHBondContact OG1-CB 3.44Å; T123-D126 PolarHBondContact OG1-N 3.33Å; T123-D126 PolarHBondContact OG1-OD2 3.24Å; E124-D126 VanDerWaalsContact C-N 3.34Å; E124-D126 PolarHBondContact O-N 3.15Å; D126-L130 VanDerWaalsContact O-CB 3.25Å; D126-L130 WeakPolarHBondContact O-CB 3.33Å; D126-L130 WeakPolarHBondContact O-CD1 3.43Å; D126-L130 WeakPolarHBondContact O-CG 3.27Å; D126-L130 PolarHBondContact O-N 2.91Å; D126-F155 HydrophobicContact CB-CE2 4.24Å; D126-F155 HydrophobicContact CB-CZ 4.18Å; D126-R157 IonicContact OD1-CZ 3.51Å; D126-R157 VanDerWaalsContact OD1-CZ 3.27Å; D126-R157 IonicContact OD1-NE 3.34Å; D126-R157 IonicContact OD1-NH2 3.94Å; D126-R157 PolarHBondContact OD1-NH2 3.37Å
127R94.3Very high93.5Very high169 Ų16990.8 Ų90.864%0.63843%0.426SS*.Hα-helixtrans-62.4-45.3177.6-176.9-176.8177.3162.3-0.8111.1I122 T123 E124 E125 L130 E131I122-R127 HydrophobicContact CG2-CB 4.1Å; T123-R127 PolarHBondContact O-N 2.6Å; E124-R127 WeakPolarHBondContact O-CB 3.38Å; E124-R127 PolarHBondContact O-N 2.91Å; E124-R127 VanDerWaalsContact O-N 3.16Å; E125-R127 VanDerWaalsContact C-N 3.29Å; E125-R127 PolarHBondContact O-N 3.36Å; R127-L130 PolarHBondContact O-N 2.99Å; R127-E131 WeakPolarHBondContact O-CB 3.42Å; R127-E131 PolarHBondContact O-N 3.44Å
128D95.4Very high93.3Very high86 Ų8690.9 Ų90.946%0.4643%0.432SS..Hα-helixtrans-66.5-43.1-179.6-70-11.7000111.4E124 E125 E131 L132 V181E124-D128 PolarHBondContact O-N 3.46Å; E124-D128 VanDerWaalsContact O-N 3.09Å; E125-D128 PolarHBondContact O-N 3.24Å; D128-E131 PolarHBondContact O-N 3.04Å; D128-L132 WeakPolarHBondContact O-CB 3.36Å; D128-L132 PolarHBondContact O-N 3.32Å; D128-V181 HydrophobicContact CB-CG2 4.06Å
129D95.3Very high93.1Very high9 Ų990.9 Ų90.95%0.04843%0.428CS..Hα-helixtrans-62.6-43.7174.8-78.4-23.3000112E125 L132 I133 R157 L180 V181E125-D129 PolarHBondContact O-N 3.47Å; D129-L132 WeakPolarHBondContact O-CB 3.47Å; D129-L132 PolarHBondContact O-N 2.94Å; D129-I133 VanDerWaalsContact O-CG1 3.29Å; D129-I133 WeakPolarHBondContact O-CG1 3.39Å; D129-I133 PolarHBondContact O-N 3.45Å; D129-R157 IonicContact OD2-CZ 3.44Å; D129-R157 IonicContact OD2-NE 3.63Å; D129-R157 IonicContact OD2-NH2 2.68Å; D129-R157 PolarHBondContact OD2-NH2 3.49Å; D129-L180 WeakPolarHBondContact OD1-CB 3.25Å; D129-L180 PolarHBondContact OD1-N 3.31Å; D129-V181 PolarHBondContact OD1-N 3.44Å; D129-V181 VanDerWaalsContact OD1-N 3.16Å
130L93.2Very high92.6Very high65 Ų6586.1 Ų86.134%0.3442%0.417SS..Hα-helixtrans-66.3-37.9177.7-72.2171.6000111.8D126 R127 I133 R134 F155D126-L130 VanDerWaalsContact O-CB 3.25Å; D126-L130 WeakPolarHBondContact O-CB 3.33Å; D126-L130 WeakPolarHBondContact O-CD1 3.43Å; D126-L130 WeakPolarHBondContact O-CG 3.27Å; D126-L130 PolarHBondContact O-N 2.91Å; R127-L130 PolarHBondContact O-N 2.99Å; L130-I133 PolarHBondContact O-N 3.29Å; L130-R134 WeakPolarHBondContact O-CB 3.23Å; L130-R134 PolarHBondContact O-N 2.87Å; L130-F155 HydrophobicContact CD1-CE1 4.04Å; L130-F155 HydrophobicContact CD1-CZ 3.98Å
131E92.6Very high92.2Very high102 Ų10288.6 Ų88.648%0.47744%0.435SS..Hα-helixtrans-64.6-42.9173-177.9163.1-169.800111.1R127 D128 I133 R134 L135R127-E131 WeakPolarHBondContact O-CB 3.42Å; R127-E131 PolarHBondContact O-N 3.44Å; D128-E131 PolarHBondContact O-N 3.04Å; E131-I133 PolarHBondContact O-N 3.22Å; E131-R134 WeakPolarHBondContact O-CB 3.32Å; E131-R134 PolarHBondContact O-N 3.34Å; E131-L135 HydrophobicContact CG-CD1 3.87Å; E131-L135 HydrophobicContact CG-CG 4.42Å; E131-L135 WeakPolarHBondContact O-CB 3.5Å; E131-L135 WeakPolarHBondContact O-CG 3.31Å; E131-L135 PolarHBondContact O-N 3.46Å
132L93.1Very high91.9Very high30 Ų3087.5 Ų87.516%0.15743%0.43CS..Hα-helixtrans-58.3-47.9174.6177.661.4000111.7D128 D129 R134 L135 R136 I139 L180 V181 L184D128-L132 WeakPolarHBondContact O-CB 3.36Å; D128-L132 PolarHBondContact O-N 3.32Å; D129-L132 WeakPolarHBondContact O-CB 3.47Å; D129-L132 PolarHBondContact O-N 2.94Å; L132-R134 VanDerWaalsContact C-N 3.32Å; L132-R134 PolarHBondContact O-N 3.25Å; L132-L135 CarbonylContact O-C 3.39Å; L132-L135 VanDerWaalsContact O-C 3.32Å; L132-L135 PolarHBondContact O-N 3.39Å; L132-L135 VanDerWaalsContact O-N 3.09Å; L132-R136 PolarHBondContact O-N 2.83Å; L132-I139 HydrophobicContact CD1-CD1 3.47Å; L132-I139 VanDerWaalsContact CD1-CD1 3.47Å; L132-I139 HydrophobicContact CD1-CG1 4.1Å; L132-I139 HydrophobicContact CG-CD1 4.25Å; L132-L180 HydrophobicContact CD2-CB 3.87Å; L132-V181 HydrophobicContact CB-CG2 4.14Å; L132-V181 HydrophobicContact CD2-CG2 3.84Å; L132-L184 HydrophobicContact CD1-CD2 3.54Å; L132-L184 HydrophobicContact CD2-CB 4.47Å; L132-L184 HydrophobicContact CD2-CD2 4.14Å
133I92.4Very high91.6Very high59 Ų5985.7 Ų85.730%0.30342%0.424SS..Hα-helixtrans-60.3-43.5177.5-68.9164.7000110.7D129 L130 E131 L135 R136 L180D129-I133 VanDerWaalsContact O-CG1 3.29Å; D129-I133 WeakPolarHBondContact O-CG1 3.39Å; D129-I133 PolarHBondContact O-N 3.45Å; L130-I133 PolarHBondContact O-N 3.29Å; E131-I133 PolarHBondContact O-N 3.22Å; I133-L135 PolarHBondContact O-N 3.14Å; I133-R136 WeakPolarHBondContact O-CB 3.25Å; I133-R136 WeakPolarHBondContact O-CD 3.43Å; I133-R136 VanDerWaalsContact O-CG 3.27Å; I133-R136 WeakPolarHBondContact O-CG 3.29Å; I133-R136 PolarHBondContact O-N 3.22Å; I133-L180 HydrophobicContact CD1-CD1 3.89Å; I133-L180 HydrophobicContact CG1-CD1 4.01Å
134R91Very high91.3Very high191 Ų19189.8 Ų89.872%0.72144%0.438SS*.Hα-helixtrans-60.5-36.6176.1179.7-180176.4177.2-2.8111.8L130 E131 L132L130-R134 WeakPolarHBondContact O-CB 3.23Å; L130-R134 PolarHBondContact O-N 2.87Å; E131-R134 WeakPolarHBondContact O-CB 3.32Å; E131-R134 PolarHBondContact O-N 3.34Å; L132-R134 VanDerWaalsContact C-N 3.32Å; L132-R134 PolarHBondContact O-N 3.25Å
135L91.1Very high90.9Very high87 Ų8784.3 Ų84.346%0.45542%0.416SS..THydrogen-bonded Turntrans-96.910.9-177.7-63178.8000113.9E131 L132 I133 R137 A138E131-L135 HydrophobicContact CG-CD1 3.87Å; E131-L135 HydrophobicContact CG-CG 4.42Å; E131-L135 WeakPolarHBondContact O-CB 3.5Å; E131-L135 WeakPolarHBondContact O-CG 3.31Å; E131-L135 PolarHBondContact O-N 3.46Å; L132-L135 CarbonylContact O-C 3.39Å; L132-L135 VanDerWaalsContact O-C 3.32Å; L132-L135 PolarHBondContact O-N 3.39Å; L132-L135 VanDerWaalsContact O-N 3.09Å; I133-L135 PolarHBondContact O-N 3.14Å; L135-R137 PolarHBondContact O-N 3.2Å; L135-A138 WeakPolarHBondContact O-CA 3.38Å; L135-A138 VanDerWaalsContact O-CB 3.28Å; L135-A138 WeakPolarHBondContact O-CB 3.5Å; L135-A138 PolarHBondContact O-N 2.97Å
136R91.4Very high90.6Very high66 Ų6688.2 Ų88.225%0.24943%0.426CS..G310 helixtrans-50.5-32-177.168.6-168.8173.6-150.1-1.3115.2L132 I133 A138 I139 V145 R146 D149L132-R136 PolarHBondContact O-N 2.83Å; I133-R136 WeakPolarHBondContact O-CB 3.25Å; I133-R136 WeakPolarHBondContact O-CD 3.43Å; I133-R136 VanDerWaalsContact O-CG 3.27Å; I133-R136 WeakPolarHBondContact O-CG 3.29Å; I133-R136 PolarHBondContact O-N 3.22Å; R136-A138 PolarHBondContact O-N 2.98Å; R136-I139 HydrophobicContact CB-CD1 4.32Å; R136-I139 WeakPolarHBondContact O-CB 3.41Å; R136-I139 PolarHBondContact O-N 3.15Å; R136-I139 VanDerWaalsContact O-N 3.09Å; R136-V145 HydrophobicContact CG-CB 4.42Å; R136-V145 HydrophobicContact CG-CG2 4.06Å; R136-R146 PolarHBondContact NH2-O 2.89Å; R136-R146 VanDerWaalsContact NH2-O 3.09Å; R136-D149 IonicContact CZ-OD2 3.25Å; R136-D149 IonicContact NH2-OD2 2.63Å; R136-D149 PolarHBondContact NH2-OD2 3.34Å
137R90.3Very high90.1Very high131 Ų13197.7 Ų97.749%0.49446%0.46SS..G310 helixtrans-61.8-22.5174.6-178.7176.3174.7172.41.1113.3L135L135-R137 PolarHBondContact O-N 3.2Å
138A89.7Confident89.2Confident39 Ų3992.6 Ų92.632%0.32245%0.45SS..G310 helixtrans-84.8-16177.900000112.9L135 R136 Q194 R197L135-A138 WeakPolarHBondContact O-CA 3.38Å; L135-A138 VanDerWaalsContact O-CB 3.28Å; L135-A138 WeakPolarHBondContact O-CB 3.5Å; L135-A138 PolarHBondContact O-N 2.97Å; R136-A138 PolarHBondContact O-N 2.98Å; A138-Q194 PolarHBondContact O-NE2 2.95Å; A138-R197 PolarHBondContact O-NH1 3Å
139I90.4Very high88Confident51 Ų5192.3 Ų92.326%0.26245%0.449SS..THydrogen-bonded Turntrans-73.8-49.7-175.9-55.3173.5000110.8L132 R136 L184 I190 Q194L132-I139 HydrophobicContact CD1-CD1 3.47Å; L132-I139 VanDerWaalsContact CD1-CD1 3.47Å; L132-I139 HydrophobicContact CD1-CG1 4.1Å; L132-I139 HydrophobicContact CG-CD1 4.25Å; R136-I139 HydrophobicContact CB-CD1 4.32Å; R136-I139 WeakPolarHBondContact O-CB 3.41Å; R136-I139 PolarHBondContact O-N 3.15Å; R136-I139 VanDerWaalsContact O-N 3.09Å; I139-L184 HydrophobicContact CG2-CD1 3.9Å; I139-I190 HydrophobicContact CG2-CG2 4.02Å; I139-Q194 PolarHBondContact O-NE2 3.24Å
140S85Confident86.9Confident43 Ų4394 Ų9430%0.30147%0.468SS..  trans-126.7144.5178.5179.30000110.9D142S140-D142 VanDerWaalsContact C-N 3.28Å; S140-D142 PolarHBondContact OG-N 3.31Å
141S84.7Confident86.3Confident95 Ų95100.2 Ų100.266%0.66449%0.492SS*.SBendtrans-72.6-23.7173.3440000113.2
142D86.8Confident85.9Confident129 Ų129100 Ų10069%0.6950%0.502SS*.SBendtrans-86.6-28.6-162.7-52.3-17000110.4S140 H144S140-D142 VanDerWaalsContact C-N 3.28Å; S140-D142 PolarHBondContact OG-N 3.31Å; D142-H144 PolarHBondContact O-ND1 3.42Å
143T86.1Confident85.8Confident76 Ų76101.1 Ų101.147%0.46652%0.516SS..  trans-93109.1-178.255.50000111.5
144H88.4Confident85.9Confident157 Ų157101.3 Ų101.373%0.72751%0.513SS*.  trans-92.6104.4175.8-69.379.7000110.2D142D142-H144 PolarHBondContact O-ND1 3.42Å
145V88.6Confident86Confident55 Ų5594 Ų9433%0.33349%0.487SS..  trans-110.2150.3180-145.10000112.7R136R136-V145 HydrophobicContact CG-CB 4.42Å; R136-V145 HydrophobicContact CG-CG2 4.06Å
146R88.6Confident86.1Confident193 Ų19396.7 Ų96.773%0.72850%0.497SS*.  trans-63.1145.4177.1-164.8179.5175.1172.6-1.1110.9R136 S148R136-R146 PolarHBondContact NH2-O 2.89Å; R136-R146 VanDerWaalsContact NH2-O 3.09Å; R146-S148 WeakPolarHBondContact CD-OG 3.31Å; R146-S148 WeakPolarHBondContact CG-OG 3.42Å; R146-S148 PolarHBondContact NE-OG 3.09Å
147R83.5Confident86.2Confident219 Ų21998.5 Ų98.583%0.82650%0.504SS*.THydrogen-bonded Turntrans-78.8-12-175.2-66.8-177.8176.6168.60114.6
148S76Confident86.4Confident62 Ų6295.6 Ų95.643%0.43452%0.515SS..THydrogen-bonded Turntrans-85.4-14.6-167.741.20000115.4R146 G150R146-S148 WeakPolarHBondContact CD-OG 3.31Å; R146-S148 WeakPolarHBondContact CG-OG 3.42Å; R146-S148 PolarHBondContact NE-OG 3.09Å; S148-G150 VanDerWaalsContact C-N 3.32Å; S148-G150 PolarHBondContact O-N 3.02Å; S148-G150 VanDerWaalsContact O-N 3.07Å
149D70.5Confident86.7Confident79 Ų7999.9 Ų99.942%0.42254%0.536SS..  trans-91.325.4-149.4-46.2-21.1000115.2R136R136-D149 IonicContact CZ-OD2 3.25Å; R136-D149 IonicContact NH2-OD2 2.63Å; R136-D149 PolarHBondContact NH2-OD2 3.34Å
150G71.8Confident86.9Confident44 Ų44103.3 Ų103.345%0.45456%0.56SS.*  trans-128.124.4-171.300000115.9S148S148-G150 VanDerWaalsContact C-N 3.32Å; S148-G150 PolarHBondContact O-N 3.02Å; S148-G150 VanDerWaalsContact O-N 3.07Å
151K79.2Confident87.3Confident197 Ų197107.8 Ų107.886%0.85759%0.585SS**  trans-120.627.2-172.9-64.5-174.8179.5-177.30114.4
152S86.2Confident87.7Confident97 Ų97106.1 Ų106.168%0.67857%0.568SS**  trans-84.4134.2-179.2-58.80000111.3
153A89.7Confident88Confident54 Ų54105.2 Ų105.245%0.44656%0.564SS.*SBendtrans-84.4-22.9177.500000113.4
154Y94Very high88.3Confident63 Ų63107.9 Ų107.925%0.24758%0.582CS.*  trans-107.4130.1179.1-60-96.4000108.2K108 L111 R119K108-Y154 WeakPolarHBondContact O-CE1 3.3Å; K108-Y154 PolarHBondContact O-OH 3.16Å; L111-Y154 HydrophobicContact CB-CD1 3.96Å; L111-Y154 HydrophobicContact CB-CE1 4.3Å; L111-Y154 HydrophobicContact CB-CG 4.17Å; L111-Y154 HydrophobicContact CD1-CE2 4.44Å; R119-Y154 HydrophobicContact CB-CD1 3.61Å; R119-Y154 HydrophobicContact CB-CE1 3.64Å; R119-Y154 HydrophobicContact CB-CG 4.43Å; R119-Y154 HydrophobicContact CG-CD1 4.41Å; R119-Y154 HydrophobicContact CG-CE1 4.37Å
155F93.9Very high88.6Confident37 Ų37103.7 Ų103.716%0.16258%0.581CS.*  trans-158.4161.6179.267.1-88.2000111P118 P120 I122 D126 L130P118-F155 PolarHBondContact O-N 2.95Å; P120-F155 HydrophobicContact CB-CZ 4.48Å; P120-F155 VanDerWaalsContact CD-O 3.24Å; P120-F155 WeakPolarHBondContact CD-O 3.4Å; P120-F155 HydrophobicContact CG-CD1 3.91Å; P120-F155 HydrophobicContact CG-CD2 3.94Å; P120-F155 HydrophobicContact CG-CE1 3.6Å; P120-F155 HydrophobicContact CG-CE2 3.64Å; P120-F155 HydrophobicContact CG-CG 4.07Å; P120-F155 HydrophobicContact CG-CZ 3.47Å; P120-F155 VanDerWaalsContact CG-CZ 3.47Å; P120-F155 WeakPolarHBondContact CG-O 3.39Å; I122-F155 HydrophobicContact CG1-CE1 4.28Å; I122-F155 HydrophobicContact CG1-CZ 4.4Å; D126-F155 HydrophobicContact CB-CE2 4.24Å; D126-F155 HydrophobicContact CB-CZ 4.18Å; L130-F155 HydrophobicContact CD1-CE1 4.04Å; L130-F155 HydrophobicContact CD1-CZ 3.98Å
156Q93.4Very high88.6Confident143 Ų143102.9 Ų102.967%0.66858%0.578SS**  trans-141.5137173.5-177.1174.72.800108.3L117L117-Q156 HydrophobicContact CD1-CB 4.02Å
157R93.5Very high88.7Confident104 Ų10499.4 Ų99.439%0.39257%0.569SS.*  trans-81.4129.9171.5-171.9-178-70.7171-4.3108.7E125 D126 D129E125-R157 IonicContact OE2-NH1 3.4Å; E125-R157 PolarHBondContact OE2-NH1 2.88Å; D126-R157 IonicContact OD1-CZ 3.51Å; D126-R157 VanDerWaalsContact OD1-CZ 3.27Å; D126-R157 IonicContact OD1-NE 3.34Å; D126-R157 IonicContact OD1-NH2 3.94Å; D126-R157 PolarHBondContact OD1-NH2 3.37Å; D129-R157 IonicContact OD2-CZ 3.44Å; D129-R157 IonicContact OD2-NE 3.63Å; D129-R157 IonicContact OD2-NH2 2.68Å; D129-R157 PolarHBondContact OD2-NH2 3.49Å
158G94.7Very high89.2Confident71 Ų7199 Ų9973%0.73257%0.568SS**  trans-136.7159.7178.300000111
159V95.5Very high89.9Confident128 Ų128102.7 Ų102.778%0.77658%0.583SS**  trans-111.6137.1178-178.50000108.4V161V159-V161 PolarHBondContact O-N 3.12Å
160V94.3Very high91Very high124 Ų124104.3 Ų104.375%0.75258%0.584SS**PPolyproline II helixtrans-69.9123.7175.6-179.10000108.9
161V94.1Very high92Very high137 Ų137106.3 Ų106.383%0.8358%0.583SS**PPolyproline II helixtrans-85.7125.6172.5-1790000107.9V159V159-V161 PolarHBondContact O-N 3.12Å
162D93.3Very high92.6Very high59 Ų59100 Ų10032%0.31656%0.563SS.*PPolyproline II helixtrans-68.7143.5-177.2-50.1-69.6000111.6R170 R176D162-R170 HydrophobicContact CB-CB 4.27Å; D162-R176 IonicContact OD1-NH2 2.89Å; D162-R176 PolarHBondContact OD1-NH2 3.38Å; D162-R176 IonicContact OD2-CZ 3.27Å; D162-R176 VanDerWaalsContact OD2-CZ 3.25Å; D162-R176 IonicContact OD2-NH1 3.78Å; D162-R176 PolarHBondContact OD2-NH1 2.99Å; D162-R176 IonicContact OD2-NH2 2.72Å; D162-R176 PolarHBondContact OD2-NH2 2.97Å
163D92.5Very high92.9Very high111 Ų111106.4 Ų106.459%0.59457%0.572SS**PPolyproline II helixtrans-73.1137.6174.1-176.473.7000110.9G165D163-G165 PolarHBondContact O-N 3.29Å; D163-G165 VanDerWaalsContact OD2-CA 3.3Å; D163-G165 WeakPolarHBondContact OD2-CA 3.18Å; D163-G165 PolarHBondContact OD2-N 3.39Å
164P93.4Very high93.1Very high132 Ų132113.7 Ų113.786%0.85759%0.594SS**THydrogen-bonded Turntrans-64.2-19.6178.325-35.5000114.1
165G93.2Very high93Very high68 Ų68116.1 Ų116.170%0.70161%0.607SS**THydrogen-bonded Turntrans-83.3-24-176.200000115.3D163D163-G165 PolarHBondContact O-N 3.29Å; D163-G165 VanDerWaalsContact OD2-CA 3.3Å; D163-G165 WeakPolarHBondContact OD2-CA 3.18Å; D163-G165 PolarHBondContact OD2-N 3.39Å
166S89.3Confident93.1Very high39 Ų39119.2 Ų119.227%0.27362%0.618SS.*  trans-116.489.4179.3-170.40000113D169S166-D169 VanDerWaalsContact OG-CB 3.25Å; S166-D169 WeakPolarHBondContact OG-CB 3.16Å; S166-D169 PolarHBondContact OG-OD2 2.97Å
167F91.2Very high93.1Very high119 Ų119114.1 Ų114.152%0.52260%0.603SS.*SBendtrans-71.6-34.2178.3-179.3-87000113.4R170F167-R170 VanDerWaalsContact CZ-NH2 3.26Å; F167-R170 WeakPolarHBondContact O-CD 3.46Å; F167-R170 WeakPolarHBondContact O-CG 3.48Å; F167-R170 PolarHBondContact O-NE 3.44Å; F167-R170 VanDerWaalsContact O-NE 3.15Å
168Y93Very high93.1Very high210 Ų210118.1 Ų118.182%0.82462%0.624SS**SBendtrans-88-23.3-171.8-66.6-71000113.5R170Y168-R170 VanDerWaalsContact C-N 3.33Å
169D91.4Very high93.2Very high140 Ų140115.3 Ų115.375%0.74959%0.593SS**SBendtrans-82.9-12.6179.1-57.9-32.8000112.9S166S166-D169 VanDerWaalsContact OG-CB 3.25Å; S166-D169 WeakPolarHBondContact OG-CB 3.16Å; S166-D169 PolarHBondContact OG-OD2 2.97Å
170R92.9Very high93.2Very high114 Ų114113.1 Ų113.143%0.4358%0.576SS.*SBendtrans-73.3148.2-176.878.1-161.8-178.9156.713.8112.5D162 F167 Y168D162-R170 HydrophobicContact CB-CB 4.27Å; F167-R170 VanDerWaalsContact CZ-NH2 3.26Å; F167-R170 WeakPolarHBondContact O-CD 3.46Å; F167-R170 WeakPolarHBondContact O-CG 3.48Å; F167-R170 PolarHBondContact O-NE 3.44Å; F167-R170 VanDerWaalsContact O-NE 3.15Å; Y168-R170 VanDerWaalsContact C-N 3.33Å
171L92.7Very high93.3Very high85 Ų85108.8 Ų108.845%0.44555%0.55SS..PPolyproline II helixtrans-72.4126175.9-69.7171.8000110.9R176L171-R176 HydrophobicContact CB-CG 4.42Å; L171-R176 PolarHBondContact O-NE 2.79Å; L171-R176 PolarHBondContact O-NH2 2.9Å
172P93.1Very high93.4Very high66 Ų66105.7 Ų105.743%0.42953%0.528SS..PPolyproline II helixtrans-64.4150.7176.728.4-35.1000111K174 Q175P172-K174 PolarHBondContact O-N 3.47Å; P172-Q175 HydrophobicContact CG-CB 4.13Å; P172-Q175 HydrophobicContact CG-CG 3.86Å; P172-Q175 PolarHBondContact O-N 3.04Å
173R92.6Very high93.5Very high231 Ų231106.1 Ų106.187%0.87253%0.528SS*.G310 helixtrans-51-32.3-177.8-177.7174.7174.7147.8-0.7113.9Q175 R176R173-Q175 VanDerWaalsContact C-N 3.3Å; R173-Q175 PolarHBondContact O-N 2.63Å; R173-R176 PolarHBondContact O-N 3.44Å
174K92.6Very high93.6Very high207 Ų207102.6 Ų102.690%0.951%0.51SS*.G310 helixtrans-68.6-24.7179.7-64.9-176.6178.9-178.90113.9P172P172-K174 PolarHBondContact O-N 3.47Å
175Q93.2Very high93.6Very high114 Ų114101 Ų10153%0.53349%0.493SS..G310 helixtrans-95.6-9.3-178.7-70.4178.1-3.300112.8P172 R173P172-Q175 HydrophobicContact CG-CB 4.13Å; P172-Q175 HydrophobicContact CG-CG 3.86Å; P172-Q175 PolarHBondContact O-N 3.04Å; R173-Q175 VanDerWaalsContact C-N 3.3Å; R173-Q175 PolarHBondContact O-N 2.63Å
176R94.8Very high93.7Very high102 Ų102101.4 Ų101.439%0.38549%0.49SS..  trans-78.1123.7177.9-60.9-174.5-167.5-158.8-2110D162 L171 R173D162-R176 IonicContact OD1-NH2 2.89Å; D162-R176 PolarHBondContact OD1-NH2 3.38Å; D162-R176 IonicContact OD2-CZ 3.27Å; D162-R176 VanDerWaalsContact OD2-CZ 3.25Å; D162-R176 IonicContact OD2-NH1 3.78Å; D162-R176 PolarHBondContact OD2-NH1 2.99Å; D162-R176 IonicContact OD2-NH2 2.72Å; D162-R176 PolarHBondContact OD2-NH2 2.97Å; L171-R176 HydrophobicContact CB-CG 4.42Å; L171-R176 PolarHBondContact O-NE 2.79Å; L171-R176 PolarHBondContact O-NH2 2.9Å; R173-R176 PolarHBondContact O-N 3.44Å
177G93.5Very high94Very high35 Ų35102.5 Ų102.536%0.36149%0.493SS..  trans-97.6175.3177.700000111.8E183G177-E183 PolarHBondContact N-OE1 2.64Å
178K94.3Very high94.2Very high188 Ų188100.1 Ų100.182%0.81750%0.495SS*.SBendtrans-81.7-40170-65.1178.9-179.6179.60110.9
179T96.2Very high94.2Very high13 Ų1397.6 Ų97.68%0.0849%0.491CS..SBendtrans-119.1164.1179.663.80000110.8E125 V181 D182 E183E125-T179 HydrophobicContact CB-CG2 4.17Å; E125-T179 HydrophobicContact CG-CG2 4.45Å; T179-V181 VanDerWaalsContact C-N 3.29Å; T179-D182 PolarHBondContact O-N 3.44Å; T179-D182 WeakPolarHBondContact OG1-CB 3.1Å; T179-D182 PolarHBondContact OG1-N 3.38Å; T179-D182 VanDerWaalsContact OG1-N 3.12Å; T179-D182 PolarHBondContact OG1-OD1 2.82Å; T179-D182 PolarHBondContact OG1-OD2 2.85Å; T179-E183 PolarHBondContact O-N 2.97Å
180L95.4Very high94.4Very high81 Ų8193.3 Ų93.342%0.42447%0.467SS..Hα-helixtrans-68.4-34.4177.2-63.4171.8000111D129 L132 I133 E183 L184D129-L180 WeakPolarHBondContact OD1-CB 3.25Å; D129-L180 PolarHBondContact OD1-N 3.31Å; L132-L180 HydrophobicContact CD2-CB 3.87Å; I133-L180 HydrophobicContact CD1-CD1 3.89Å; I133-L180 HydrophobicContact CG1-CD1 4.01Å; L180-E183 PolarHBondContact O-N 3.34Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 PolarHBondContact O-N 3.01Å
181V96.2Very high94.5Very high33 Ų3390.4 Ų90.420%0.246%0.459CS..Hα-helixtrans-64.4-42.1175.8176.40000111.2D128 D129 L132 T179 E183 L184 L185D128-V181 HydrophobicContact CB-CG2 4.06Å; D129-V181 PolarHBondContact OD1-N 3.44Å; D129-V181 VanDerWaalsContact OD1-N 3.16Å; L132-V181 HydrophobicContact CB-CG2 4.14Å; L132-V181 HydrophobicContact CD2-CG2 3.84Å; T179-V181 VanDerWaalsContact C-N 3.29Å; V181-E183 VanDerWaalsContact C-N 3.34Å; V181-E183 PolarHBondContact O-N 3.33Å; V181-L184 WeakPolarHBondContact O-CB 3.41Å; V181-L184 PolarHBondContact O-N 2.72Å; V181-L185 HydrophobicContact CG1-CD1 4.04Å; V181-L185 HydrophobicContact CG1-CG 4.33Å; V181-L185 WeakPolarHBondContact O-CG 3.37Å; V181-L185 PolarHBondContact O-N 3.43Å
182D96Very high94.6Very high72 Ų7293.8 Ų93.839%0.38547%0.47SS..Hα-helixtrans-60.3-44.1176.3-69.5-27.4000111.8T179 L184 L185 A186T179-D182 PolarHBondContact O-N 3.44Å; T179-D182 WeakPolarHBondContact OG1-CB 3.1Å; T179-D182 PolarHBondContact OG1-N 3.38Å; T179-D182 VanDerWaalsContact OG1-N 3.12Å; T179-D182 PolarHBondContact OG1-OD1 2.82Å; T179-D182 PolarHBondContact OG1-OD2 2.85Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 PolarHBondContact O-N 2.89Å; D182-L185 PolarHBondContact O-N 3.34Å; D182-A186 WeakPolarHBondContact O-CB 3.4Å; D182-A186 PolarHBondContact O-N 3.16Å
183E95.4Very high94.7Very high68 Ų6893.4 Ų93.432%0.31847%0.473SS..Hα-helixtrans-61.7-41.2176.7-69.1-171.7168.700111.9G177 T179 L180 V181 A186 N187G177-E183 PolarHBondContact N-OE1 2.64Å; T179-E183 PolarHBondContact O-N 2.97Å; L180-E183 PolarHBondContact O-N 3.34Å; V181-E183 VanDerWaalsContact C-N 3.34Å; V181-E183 PolarHBondContact O-N 3.33Å; E183-A186 PolarHBondContact O-N 3.18Å; E183-N187 PolarHBondContact O-N 3.37Å
184L94.7Very high94.8Very high38 Ų3885 Ų8520%0.19944%0.443CS..Hα-helixtrans-62.8-45.5176.5179.569.6000112L132 I139 L180 V181 D182 A186 N187 I190L132-L184 HydrophobicContact CD1-CD2 3.54Å; L132-L184 HydrophobicContact CD2-CB 4.47Å; L132-L184 HydrophobicContact CD2-CD2 4.14Å; I139-L184 HydrophobicContact CG2-CD1 3.9Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 PolarHBondContact O-N 3.01Å; V181-L184 WeakPolarHBondContact O-CB 3.41Å; V181-L184 PolarHBondContact O-N 2.72Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 PolarHBondContact O-N 2.89Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-N187 PolarHBondContact O-N 3.22Å; L184-I190 HydrophobicContact CD1-CB 4.39Å; L184-I190 HydrophobicContact CD1-CD1 4.06Å; L184-I190 HydrophobicContact CD1-CG2 3.63Å
185L94.9Very high94.9Very high98 Ų9882.9 Ų82.951%0.51343%0.43SS..Hα-helixtrans-68.4-33.2-179-69.9177.3000112.2V181 D182 N187 M191V181-L185 HydrophobicContact CG1-CD1 4.04Å; V181-L185 HydrophobicContact CG1-CG 4.33Å; V181-L185 WeakPolarHBondContact O-CG 3.37Å; V181-L185 PolarHBondContact O-N 3.43Å; D182-L185 PolarHBondContact O-N 3.34Å; L185-N187 PolarHBondContact O-N 3.18Å; L185-M191 HydrophobicContact CD2-CE 3.64Å; L185-M191 HydrophobicContact CD2-SD 3.9Å
186A95.4Very high95.1Very high76 Ų7685.4 Ų85.463%0.62844%0.439SS*.Hα-helixtrans-66.6-24.9174.900000112.8D182 E183 L184 A188D182-A186 WeakPolarHBondContact O-CB 3.4Å; D182-A186 PolarHBondContact O-N 3.16Å; E183-A186 PolarHBondContact O-N 3.18Å; L184-A186 VanDerWaalsContact C-N 3.33Å; A186-A188 PolarHBondContact O-N 3.4Å; A186-A188 VanDerWaalsContact O-N 3.14Å
187N94.3Very high95.1Very high63 Ų6386.3 Ų86.334%0.33744%0.442SS..  trans-79.398.3-179.3-167.5-34.9000112.4E183 L184 L185 E189 I190 M191E183-N187 PolarHBondContact O-N 3.37Å; L184-N187 PolarHBondContact O-N 3.22Å; L185-N187 PolarHBondContact O-N 3.18Å; N187-E189 VanDerWaalsContact C-N 3.28Å; N187-E189 PolarHBondContact O-N 3.34Å; N187-E189 PolarHBondContact OD1-N 3.01Å; N187-E189 VanDerWaalsContact OD1-N 3.15Å; N187-I190 HydrophobicContact CB-CB 4.31Å; N187-I190 HydrophobicContact CB-CD1 3.98Å; N187-I190 HydrophobicContact CB-CG1 4.21Å; N187-I190 WeakPolarHBondContact ND2-CD1 3.48Å; N187-I190 PolarHBondContact O-N 2.96Å; N187-I190 PolarHBondContact OD1-N 3.22Å; N187-M191 VanDerWaalsContact O-CG 3.31Å; N187-M191 WeakPolarHBondContact O-CG 3.43Å; N187-M191 PolarHBondContact O-N 2.95Å
188A95.3Very high95.3Very high68 Ų6892.7 Ų92.756%0.56246%0.457SS*.Hα-helixtrans-59.3-33-177.500000114.2A186 K192A186-A188 PolarHBondContact O-N 3.4Å; A186-A188 VanDerWaalsContact O-N 3.14Å; A188-K192 VanDerWaalsContact O-CB 3.31Å; A188-K192 WeakPolarHBondContact O-CB 3.35Å; A188-K192 PolarHBondContact O-N 2.81Å
189E94.2Very high95.4Very high158 Ų15885.6 Ų85.674%0.73843%0.433SS*.Hα-helixtrans-69.9-48.6-178.5-61.8-176.5172.100111N187 M191 K192 A193N187-E189 VanDerWaalsContact C-N 3.28Å; N187-E189 PolarHBondContact O-N 3.34Å; N187-E189 PolarHBondContact OD1-N 3.01Å; N187-E189 VanDerWaalsContact OD1-N 3.15Å; E189-M191 VanDerWaalsContact C-N 3.31Å; E189-M191 PolarHBondContact O-N 2.9Å; E189-K192 WeakPolarHBondContact O-CB 3.37Å; E189-K192 PolarHBondContact O-N 3.37Å; E189-A193 PolarHBondContact O-N 3.31Å
190I93.8Very high95.5Very high49 Ų4992.2 Ų92.225%0.25146%0.46SS..Hα-helixtrans-60.6-45.6175.8-59.9175.4000109.5I139 L184 N187 K192 A193 Q194I139-I190 HydrophobicContact CG2-CG2 4.02Å; L184-I190 HydrophobicContact CD1-CB 4.39Å; L184-I190 HydrophobicContact CD1-CD1 4.06Å; L184-I190 HydrophobicContact CD1-CG2 3.63Å; N187-I190 HydrophobicContact CB-CB 4.31Å; N187-I190 HydrophobicContact CB-CD1 3.98Å; N187-I190 HydrophobicContact CB-CG1 4.21Å; N187-I190 WeakPolarHBondContact ND2-CD1 3.48Å; N187-I190 PolarHBondContact O-N 2.96Å; N187-I190 PolarHBondContact OD1-N 3.22Å; I190-K192 VanDerWaalsContact C-N 3.31Å; I190-K192 PolarHBondContact O-N 3.5Å; I190-A193 PolarHBondContact O-N 3.07Å; I190-Q194 HydrophobicContact CG2-CG 4.17Å; I190-Q194 WeakPolarHBondContact O-CB 3.25Å; I190-Q194 WeakPolarHBondContact O-CG 3.44Å; I190-Q194 PolarHBondContact O-N 2.94Å
191M95Very high95.6Very high53 Ų5391.8 Ų91.826%0.26146%0.458SS..Hα-helixtrans-63.8-33.6178.6-68.9-55.2-73.100113.1L185 N187 E189 R195L185-M191 HydrophobicContact CD2-CE 3.64Å; L185-M191 HydrophobicContact CD2-SD 3.9Å; N187-M191 VanDerWaalsContact O-CG 3.31Å; N187-M191 WeakPolarHBondContact O-CG 3.43Å; N187-M191 PolarHBondContact O-N 2.95Å; E189-M191 VanDerWaalsContact C-N 3.31Å; E189-M191 PolarHBondContact O-N 2.9Å; M191-R195 WeakPolarHBondContact O-CB 3.5Å; M191-R195 VanDerWaalsContact O-CG 3.23Å; M191-R195 WeakPolarHBondContact O-CG 3.22Å; M191-R195 PolarHBondContact O-N 3.47Å; M191-R195 PolarHBondContact O-NE 2.9Å; M191-R195 VanDerWaalsContact O-NE 3.08Å
192K95.9Very high95.7Very high157 Ų15792.1 Ų92.168%0.68346%0.464SS*.Hα-helixtrans-67.6-45.5173.9-177.1179.5179.3-179.30111.1A188 E189 I190 R195 K196A188-K192 VanDerWaalsContact O-CB 3.31Å; A188-K192 WeakPolarHBondContact O-CB 3.35Å; A188-K192 PolarHBondContact O-N 2.81Å; E189-K192 WeakPolarHBondContact O-CB 3.37Å; E189-K192 PolarHBondContact O-N 3.37Å; I190-K192 VanDerWaalsContact C-N 3.31Å; I190-K192 PolarHBondContact O-N 3.5Å; K192-R195 PolarHBondContact O-N 2.89Å; K192-K196 PolarHBondContact O-N 3.13Å; K192-K196 VanDerWaalsContact O-N 3.1Å
193A94.5Very high95.8Very high58 Ų5897.2 Ų97.248%0.47948%0.478SS..Hα-helixtrans-62.6-45.3177.600000111.8E189 I190 K196 R197E189-A193 PolarHBondContact O-N 3.31Å; I190-A193 PolarHBondContact O-N 3.07Å; A193-K196 PolarHBondContact O-N 2.91Å; A193-R197 PolarHBondContact O-N 3.32Å
194Q94.5Very high95.9Very high55 Ų5596.4 Ų96.426%0.25748%0.478SS..Hα-helixtrans-64.8-43.1178-69.8-60.6-21.800112.2A138 I139 I190 K196 R197 Y198A138-Q194 PolarHBondContact O-NE2 2.95Å; I139-Q194 PolarHBondContact O-NE2 3.24Å; I190-Q194 HydrophobicContact CG2-CG 4.17Å; I190-Q194 WeakPolarHBondContact O-CB 3.25Å; I190-Q194 WeakPolarHBondContact O-CG 3.44Å; I190-Q194 PolarHBondContact O-N 2.94Å; Q194-K196 VanDerWaalsContact C-N 3.34Å; Q194-K196 PolarHBondContact O-N 3.08Å; Q194-R197 PolarHBondContact O-N 3.09Å; Q194-Y198 WeakPolarHBondContact O-CB 3.24Å; Q194-Y198 PolarHBondContact O-N 3.23Å
195R95.9Very high96.1Very high162 Ų16299.1 Ų99.161%0.61149%0.491SS*.Hα-helixtrans-58-44.3174-79.7-179.2-77.9176.7-7.7112.3M191 K192 Y198 A199M191-R195 WeakPolarHBondContact O-CB 3.5Å; M191-R195 VanDerWaalsContact O-CG 3.23Å; M191-R195 WeakPolarHBondContact O-CG 3.22Å; M191-R195 PolarHBondContact O-N 3.47Å; M191-R195 PolarHBondContact O-NE 2.9Å; M191-R195 VanDerWaalsContact O-NE 3.08Å; K192-R195 PolarHBondContact O-N 2.89Å; R195-Y198 PolarHBondContact O-N 3.21Å; R195-A199 WeakPolarHBondContact O-CB 3.4Å; R195-A199 PolarHBondContact O-N 3.15Å
196K96.5Very high96.2Very high167 Ų16797.1 Ų97.173%0.72649%0.489SS*.Hα-helixtrans-61.7-44.7176.4-176.2179.4179.1-179.30111.6K192 A193 Q194 K200K192-K196 PolarHBondContact O-N 3.13Å; K192-K196 VanDerWaalsContact O-N 3.1Å; A193-K196 PolarHBondContact O-N 2.91Å; Q194-K196 VanDerWaalsContact C-N 3.34Å; Q194-K196 PolarHBondContact O-N 3.08Å; K196-K200 PolarHBondContact O-N 2.9Å; K196-K200 VanDerWaalsContact O-N 3.1Å
197R95.4Very high96.4Very high121 Ų12199.7 Ų99.746%0.45749%0.487SS..Hα-helixtrans-65-45.6178-174.2-177.8177.4-156.94.8111.7A138 A193 Q194 K200 I201A138-R197 PolarHBondContact O-NH1 3Å; A193-R197 PolarHBondContact O-N 3.32Å; Q194-R197 PolarHBondContact O-N 3.09Å; R197-K200 WeakPolarHBondContact O-CB 3.43Å; R197-K200 PolarHBondContact O-N 3.5Å; R197-I201 HydrophobicContact CG-CD1 4.03Å; R197-I201 WeakPolarHBondContact O-CG1 3.24Å; R197-I201 PolarHBondContact O-N 3.03Å
198Y96.8Very high96.5Very high169 Ų169102.9 Ų102.966%0.66350%0.498SS*.Hα-helixtrans-58.9-47.8176.6177.2-101.8000111.3Q194 R195 K200 I201 A202Q194-Y198 WeakPolarHBondContact O-CB 3.24Å; Q194-Y198 PolarHBondContact O-N 3.23Å; R195-Y198 PolarHBondContact O-N 3.21Å; Y198-K200 VanDerWaalsContact C-N 3.29Å; Y198-K200 PolarHBondContact O-N 2.98Å; Y198-I201 PolarHBondContact O-N 3.5Å; Y198-I201 VanDerWaalsContact O-N 3.12Å; Y198-A202 WeakPolarHBondContact O-CB 3.5Å; Y198-A202 PolarHBondContact O-N 2.8Å
199A98.2Very high96.6Very high38 Ų38108.9 Ų108.931%0.31451%0.506SS..Hα-helixtrans-58.5-40.2176.300000112.2R195 R203R195-A199 WeakPolarHBondContact O-CB 3.4Å; R195-A199 PolarHBondContact O-N 3.15Å; A199-R203 VanDerWaalsContact O-CG 3.29Å; A199-R203 WeakPolarHBondContact O-CG 3.5Å; A199-R203 PolarHBondContact O-N 3.33Å
200K97.8Very high96.8Very high152 Ų152103.2 Ų103.266%0.66149%0.487SS*.Hα-helixtrans-62.8-47.6173.9-175.6176.7179.9177.70111.4K196 R197 Y198 R203 T204K196-K200 PolarHBondContact O-N 2.9Å; K196-K200 VanDerWaalsContact O-N 3.1Å; R197-K200 WeakPolarHBondContact O-CB 3.43Å; R197-K200 PolarHBondContact O-N 3.5Å; Y198-K200 VanDerWaalsContact C-N 3.29Å; Y198-K200 PolarHBondContact O-N 2.98Å; K200-R203 PolarHBondContact O-N 2.62Å; K200-T204 WeakPolarHBondContact O-CG2 3.47Å; K200-T204 PolarHBondContact O-N 2.83Å; K200-T204 PolarHBondContact O-OG1 3.26Å
201I97.5Very high97Very high72 Ų72103.5 Ų103.537%0.36950%0.496SS..Hα-helixtrans-61-48.5178.4-66.9166.8000110.4R197 Y198 R203 T204 M205R197-I201 HydrophobicContact CG-CD1 4.03Å; R197-I201 WeakPolarHBondContact O-CG1 3.24Å; R197-I201 PolarHBondContact O-N 3.03Å; Y198-I201 PolarHBondContact O-N 3.5Å; Y198-I201 VanDerWaalsContact O-N 3.12Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 PolarHBondContact O-N 3.05Å; I201-T204 PolarHBondContact O-N 3.09Å; I201-T204 PolarHBondContact O-OG1 3.45Å; I201-M205 HydrophobicContact CG2-CE 4.49Å; I201-M205 HydrophobicContact CG2-CG 4.17Å; I201-M205 WeakPolarHBondContact O-CB 3.26Å; I201-M205 WeakPolarHBondContact O-CG 3.44Å; I201-M205 PolarHBondContact O-N 3.12Å
202A98.1Very high97.1Very high41 Ų41105.7 Ų105.734%0.33951%0.508SS..Hα-helixtrans-56.9-44.9178.800000112.1Y198 M205 A206Y198-A202 WeakPolarHBondContact O-CB 3.5Å; Y198-A202 PolarHBondContact O-N 2.8Å; A202-M205 PolarHBondContact O-N 3.26Å; A202-A206 WeakPolarHBondContact O-CB 3.29Å; A202-A206 PolarHBondContact O-N 2.91Å
203R98.2Very high97.1Very high178 Ų178104.4 Ų104.467%0.67250%0.502SS*.Hα-helixtrans-60-50.9173.9-72.7175.6-168.3173.32.9111.9A199 K200 I201 M205 A206 E207A199-R203 VanDerWaalsContact O-CG 3.29Å; A199-R203 WeakPolarHBondContact O-CG 3.5Å; A199-R203 PolarHBondContact O-N 3.33Å; K200-R203 PolarHBondContact O-N 2.62Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 PolarHBondContact O-N 3.05Å; R203-M205 VanDerWaalsContact C-N 3.28Å; R203-M205 PolarHBondContact O-N 3.11Å; R203-A206 PolarHBondContact O-N 2.85Å; R203-A206 VanDerWaalsContact O-N 3.15Å; R203-E207 WeakPolarHBondContact O-CG 3.41Å; R203-E207 PolarHBondContact O-N 3.48Å
204T98.3Very high97.2Very high52 Ų52109.5 Ų109.532%0.31951%0.509SS..Hα-helixtrans-62.1-35179.661.80000112.7K200 I201 K208K200-T204 WeakPolarHBondContact O-CG2 3.47Å; K200-T204 PolarHBondContact O-N 2.83Å; K200-T204 PolarHBondContact O-OG1 3.26Å; I201-T204 PolarHBondContact O-N 3.09Å; I201-T204 PolarHBondContact O-OG1 3.45Å; T204-K208 WeakPolarHBondContact O-CB 3.41Å; T204-K208 VanDerWaalsContact O-CG 3.27Å; T204-K208 WeakPolarHBondContact O-CG 3.44Å; T204-K208 PolarHBondContact O-N 3.07Å
205M98Very high97.3Very high94 Ų94113.2 Ų113.246%0.46353%0.525SS..Hα-helixtrans-70-41175.6-71.2-63.8-171.500111.6I201 A202 R203 K208 R209I201-M205 HydrophobicContact CG2-CE 4.49Å; I201-M205 HydrophobicContact CG2-CG 4.17Å; I201-M205 WeakPolarHBondContact O-CB 3.26Å; I201-M205 WeakPolarHBondContact O-CG 3.44Å; I201-M205 PolarHBondContact O-N 3.12Å; A202-M205 PolarHBondContact O-N 3.26Å; R203-M205 VanDerWaalsContact C-N 3.28Å; R203-M205 PolarHBondContact O-N 3.11Å; M205-K208 PolarHBondContact O-N 3.3Å; M205-R209 WeakPolarHBondContact O-CG 3.5Å; M205-R209 PolarHBondContact O-N 3.25Å
206A97.9Very high97.3Very high57 Ų57110.7 Ų110.747%0.47152%0.52SS..Hα-helixtrans-63.3-43.7174.900000111.8A202 R203 R209 A210A202-A206 WeakPolarHBondContact O-CB 3.29Å; A202-A206 PolarHBondContact O-N 2.91Å; R203-A206 PolarHBondContact O-N 2.85Å; R203-A206 VanDerWaalsContact O-N 3.15Å; A206-R209 PolarHBondContact O-N 2.8Å; A206-A210 WeakPolarHBondContact O-CB 3.35Å; A206-A210 PolarHBondContact O-N 3.49Å
207E97.8Very high97.3Very high129 Ų129107.5 Ų107.560%0.60351%0.507SS*.Hα-helixtrans-60.3-45.3174.9-73.6168.4-174.400111.9R203 A210 A211R203-E207 WeakPolarHBondContact O-CG 3.41Å; R203-E207 PolarHBondContact O-N 3.48Å; E207-A210 PolarHBondContact O-N 3.4Å; E207-A211 WeakPolarHBondContact O-CB 3.47Å; E207-A211 PolarHBondContact O-N 2.83Å
208K97.8Very high97.2Very high130 Ų130107.1 Ų107.157%0.56551%0.511SS*.Hα-helixtrans-59.4-46.8174.8-76.3176-178.4-176.50112T204 M205 A210 A211 I212T204-K208 WeakPolarHBondContact O-CB 3.41Å; T204-K208 VanDerWaalsContact O-CG 3.27Å; T204-K208 WeakPolarHBondContact O-CG 3.44Å; T204-K208 PolarHBondContact O-N 3.07Å; M205-K208 PolarHBondContact O-N 3.3Å; K208-A210 PolarHBondContact O-N 3.28Å; K208-A211 PolarHBondContact O-N 3.45Å; K208-I212 WeakPolarHBondContact O-CG1 3.49Å; K208-I212 PolarHBondContact O-N 3.01Å
209R97.6Very high97.1Very high194 Ų194104 Ų10473%0.73250%0.502SS*.Hα-helixtrans-60.9-43.5176.5-73.1175.7-178.9179.30.8111.6M205 A206 I212 K213M205-R209 WeakPolarHBondContact O-CG 3.5Å; M205-R209 PolarHBondContact O-N 3.25Å; A206-R209 PolarHBondContact O-N 2.8Å; R209-I212 PolarHBondContact O-N 3.28Å; R209-K213 PolarHBondContact O-N 3.44Å; R209-K213 VanDerWaalsContact O-N 3.08Å
210A97.4Very high96.8Very high40 Ų40107.2 Ų107.233%0.33151%0.512SS..Hα-helixtrans-64.4-39.8176.500000112.2A206 E207 K208 K213 R214A206-A210 WeakPolarHBondContact O-CB 3.35Å; A206-A210 PolarHBondContact O-N 3.49Å; E207-A210 PolarHBondContact O-N 3.4Å; K208-A210 PolarHBondContact O-N 3.28Å; A210-K213 PolarHBondContact O-N 2.91Å; A210-R214 WeakPolarHBondContact O-CB 3.4Å; A210-R214 VanDerWaalsContact O-CG 3.27Å; A210-R214 WeakPolarHBondContact O-CG 3.49Å; A210-R214 PolarHBondContact O-N 2.79Å
211A97.4Very high96.6Very high54 Ų54107 Ų10745%0.44651%0.511SS..Hα-helixtrans-64.1-42.8176.700000112.4E207 K208 R214 K215E207-A211 WeakPolarHBondContact O-CB 3.47Å; E207-A211 PolarHBondContact O-N 2.83Å; K208-A211 PolarHBondContact O-N 3.45Å; A211-R214 PolarHBondContact O-N 2.93Å; A211-K215 PolarHBondContact O-N 3.15Å
212I97.4Very high96.2Very high100 Ų100112.4 Ų112.451%0.51353%0.527SS..Hα-helixtrans-59.8-50.9174.8-67.1165.2000110.1K208 R209 R214 K215 E216K208-I212 WeakPolarHBondContact O-CG1 3.49Å; K208-I212 PolarHBondContact O-N 3.01Å; R209-I212 PolarHBondContact O-N 3.28Å; I212-R214 VanDerWaalsContact C-N 3.31Å; I212-R214 PolarHBondContact O-N 3.16Å; I212-K215 WeakPolarHBondContact O-CB 3.17Å; I212-K215 PolarHBondContact O-N 3.29Å; I212-E216 WeakPolarHBondContact O-CG 3.17Å; I212-E216 PolarHBondContact O-N 2.97Å
213K96.9Very high95.8Very high129 Ų129115.8 Ų115.856%0.56154%0.539SS*.Hα-helixtrans-58.3-40.6177.7-171.8177.1-177.5177.10112.4R209 A210 E216 Q217R209-K213 PolarHBondContact O-N 3.44Å; R209-K213 VanDerWaalsContact O-N 3.08Å; A210-K213 PolarHBondContact O-N 2.91Å; K213-E216 PolarHBondContact O-N 2.74Å; K213-Q217 WeakPolarHBondContact O-CB 3.36Å; K213-Q217 VanDerWaalsContact O-CG 3.23Å; K213-Q217 WeakPolarHBondContact O-CG 3.47Å; K213-Q217 PolarHBondContact O-N 3.16Å
214R96.5Very high95.3Very high166 Ų166113.9 Ų113.963%0.62654%0.536SS*.Hα-helixtrans-62.5-42.5175.1-75.5172.8-174.6172.22.4111.6A210 A211 I212 Q217 Q218A210-R214 WeakPolarHBondContact O-CB 3.4Å; A210-R214 VanDerWaalsContact O-CG 3.27Å; A210-R214 WeakPolarHBondContact O-CG 3.49Å; A210-R214 PolarHBondContact O-N 2.79Å; A211-R214 PolarHBondContact O-N 2.93Å; I212-R214 VanDerWaalsContact C-N 3.31Å; I212-R214 PolarHBondContact O-N 3.16Å; R214-Q217 PolarHBondContact O-N 3.45Å; R214-Q218 VanDerWaalsContact O-CG 3.3Å; R214-Q218 WeakPolarHBondContact O-CG 3.29Å; R214-Q218 PolarHBondContact O-N 3.18Å
215K96.5Very high94.6Very high133 Ų133115.4 Ų115.458%0.57855%0.545SS*.Hα-helixtrans-64-44.9177.9-173.1179.7177.9-177.90111.5A211 I212 Q217 Q218 Q219A211-K215 PolarHBondContact O-N 3.15Å; I212-K215 WeakPolarHBondContact O-CB 3.17Å; I212-K215 PolarHBondContact O-N 3.29Å; K215-Q217 PolarHBondContact O-N 2.9Å; K215-Q218 PolarHBondContact O-N 3.19Å; K215-Q219 WeakPolarHBondContact O-CG 3.38Å; K215-Q219 PolarHBondContact O-N 3.45Å
216E95.8Very high93.6Very high109 Ų109112.5 Ų112.551%0.50954%0.539SS..Hα-helixtrans-60.2-45.4175.2-70170.4174.600111.5I212 K213 Q218 Q219 M220I212-E216 WeakPolarHBondContact O-CG 3.17Å; I212-E216 PolarHBondContact O-N 2.97Å; K213-E216 PolarHBondContact O-N 2.74Å; E216-Q218 VanDerWaalsContact C-N 3.33Å; E216-Q218 PolarHBondContact O-N 3.26Å; E216-Q219 PolarHBondContact O-N 3.18Å; E216-M220 WeakPolarHBondContact O-CG 3.34Å; E216-M220 PolarHBondContact O-N 3.21Å
217Q95.4Very high92.2Very high99 Ų99118.2 Ų118.246%0.46355%0.548SS..Hα-helixtrans-60.8-40.5175.5-73.5175.4-2.100112.3K213 R214 K215 M220 K221K213-Q217 WeakPolarHBondContact O-CB 3.36Å; K213-Q217 VanDerWaalsContact O-CG 3.23Å; K213-Q217 WeakPolarHBondContact O-CG 3.47Å; K213-Q217 PolarHBondContact O-N 3.16Å; R214-Q217 PolarHBondContact O-N 3.45Å; K215-Q217 PolarHBondContact O-N 2.9Å; Q217-M220 PolarHBondContact O-N 3.19Å; Q217-K221 VanDerWaalsContact O-CG 3.32Å; Q217-K221 WeakPolarHBondContact O-CG 3.18Å; Q217-K221 PolarHBondContact O-N 2.87Å
218Q94.5Very high90.5Very high113 Ų113119.4 Ų119.453%0.52855%0.551SS.*Hα-helixtrans-65.4-41.7175.7-73.1175.18.100112R214 K215 E216 K221 R222R214-Q218 VanDerWaalsContact O-CG 3.3Å; R214-Q218 WeakPolarHBondContact O-CG 3.29Å; R214-Q218 PolarHBondContact O-N 3.18Å; K215-Q218 PolarHBondContact O-N 3.19Å; E216-Q218 VanDerWaalsContact C-N 3.33Å; E216-Q218 PolarHBondContact O-N 3.26Å; Q218-K221 PolarHBondContact O-N 3.46Å; Q218-R222 WeakPolarHBondContact O-CG 3.39Å; Q218-R222 PolarHBondContact O-N 3.2Å
219Q93.4Very high88.9Confident103 Ų103120.7 Ų120.748%0.48156%0.557SS.*Hα-helixtrans-62-46.2174.9-72.4179.24.300111.4K215 E216 K221 R222 L223K215-Q219 WeakPolarHBondContact O-CG 3.38Å; K215-Q219 PolarHBondContact O-N 3.45Å; E216-Q219 PolarHBondContact O-N 3.18Å; Q219-K221 VanDerWaalsContact C-N 3.32Å; Q219-K221 PolarHBondContact O-N 3.05Å; Q219-R222 WeakPolarHBondContact O-CB 3.12Å; Q219-R222 PolarHBondContact O-N 3.17Å; Q219-R222 VanDerWaalsContact O-N 3.13Å; Q219-L223 WeakPolarHBondContact O-CG 3.44Å; Q219-L223 PolarHBondContact O-N 3.12Å
220M92.5Very high87Confident107 Ų107118 Ų11853%0.52755%0.553SS.*Hα-helixtrans-61.7-38.9176.8-70.5-58.1-7100112.4E216 Q217 L223 K224E216-M220 WeakPolarHBondContact O-CG 3.34Å; E216-M220 PolarHBondContact O-N 3.21Å; Q217-M220 PolarHBondContact O-N 3.19Å; M220-L223 PolarHBondContact O-N 2.97Å; M220-L223 HydrophobicContact SD-CD1 4.28Å; M220-K224 VanDerWaalsContact O-CG 3.32Å; M220-K224 WeakPolarHBondContact O-CG 3.25Å; M220-K224 PolarHBondContact O-N 3.24Å
221K92.9Very high85.3Confident147 Ų147123 Ų12364%0.63957%0.569SS**Hα-helixtrans-62.3-43.5173.6-75178.6-178.1-173.20111.6Q217 Q218 Q219 K224 T225Q217-K221 VanDerWaalsContact O-CG 3.32Å; Q217-K221 WeakPolarHBondContact O-CG 3.18Å; Q217-K221 PolarHBondContact O-N 2.87Å; Q218-K221 PolarHBondContact O-N 3.46Å; Q219-K221 VanDerWaalsContact C-N 3.32Å; Q219-K221 PolarHBondContact O-N 3.05Å; K221-K224 PolarHBondContact O-N 3.04Å; K221-T225 WeakPolarHBondContact O-CG2 3.45Å; K221-T225 PolarHBondContact O-N 3.19Å; K221-T225 PolarHBondContact O-OG1 3.38Å
222R90.8Very high83.5Confident185 Ų185124.6 Ų124.670%0.69858%0.582SS**Hα-helixtrans-63.3-41.6177.2-72.4176176.7-170.8-0.9112.8Q218 Q219 T225 G226Q218-R222 WeakPolarHBondContact O-CG 3.39Å; Q218-R222 PolarHBondContact O-N 3.2Å; Q219-R222 WeakPolarHBondContact O-CB 3.12Å; Q219-R222 PolarHBondContact O-N 3.17Å; Q219-R222 VanDerWaalsContact O-N 3.13Å; R222-T225 PolarHBondContact O-N 3.06Å; R222-T225 PolarHBondContact O-OG1 2.91Å; R222-G226 PolarHBondContact O-N 2.98Å
223L89.4Confident81.8Confident113 Ų113124.4 Ų124.459%0.59259%0.586SS**Hα-helixtrans-64.9-40.6176.3-67.8172.1000111.6Q219 M220 G226 R227Q219-L223 WeakPolarHBondContact O-CG 3.44Å; Q219-L223 PolarHBondContact O-N 3.12Å; M220-L223 PolarHBondContact O-N 2.97Å; M220-L223 HydrophobicContact SD-CD1 4.28Å; L223-G226 PolarHBondContact O-N 2.91Å; L223-R227 WeakPolarHBondContact O-CG 3.41Å; L223-R227 PolarHBondContact O-N 3.24Å; L223-R227 VanDerWaalsContact O-N 3.08Å
224K87.3Confident80Confident138 Ų138123.9 Ų123.960%0.659%0.593SS**Hα-helixtrans-65.4-41.2176.3-72-178.8-177.6-1700112.4M220 K221 K228M220-K224 VanDerWaalsContact O-CG 3.32Å; M220-K224 WeakPolarHBondContact O-CG 3.25Å; M220-K224 PolarHBondContact O-N 3.24Å; K221-K224 PolarHBondContact O-N 3.04Å; K224-K228 PolarHBondContact O-N 3.42Å
225T83.3Confident78.2Confident84 Ų84122 Ų12252%0.51560%0.6SS.*Hα-helixtrans-70.7-36.4177.5550000112.4K221 R222 K228 K229K221-T225 WeakPolarHBondContact O-CG2 3.45Å; K221-T225 PolarHBondContact O-N 3.19Å; K221-T225 PolarHBondContact O-OG1 3.38Å; R222-T225 PolarHBondContact O-N 3.06Å; R222-T225 PolarHBondContact O-OG1 2.91Å; T225-K228 PolarHBondContact O-N 2.9Å; T225-K229 PolarHBondContact O-N 3.05Å
226G76.8Confident76.8Confident32 Ų32122 Ų12233%0.3361%0.611SS.*Hα-helixtrans-61.3-45173.600000113R222 L223 K228 K229 Q230R222-G226 PolarHBondContact O-N 2.98Å; L223-G226 PolarHBondContact O-N 2.91Å; G226-K228 PolarHBondContact O-N 3.04Å; G226-K229 PolarHBondContact O-N 3.2Å; G226-Q230 PolarHBondContact O-N 3.15Å; G226-Q230 VanDerWaalsContact O-N 3.09Å
227R68Low75Confident178 Ų178127.9 Ų127.967%0.67263%0.629SS**Hα-helixtrans-63.3-38.5176.6-71.2-177.6103.2175.46112.8L223 K229 Q230 Q231L223-R227 WeakPolarHBondContact O-CG 3.41Å; L223-R227 PolarHBondContact O-N 3.24Å; L223-R227 VanDerWaalsContact O-N 3.08Å; R227-K229 VanDerWaalsContact C-N 3.32Å; R227-K229 PolarHBondContact O-N 3.46Å; R227-Q230 PolarHBondContact O-N 3.35Å; R227-Q231 WeakPolarHBondContact O-CG 3.36Å; R227-Q231 PolarHBondContact O-N 2.92Å
228K63.4Low73.3Confident153 Ų153135.8 Ų135.867%0.66567%0.665SS**Hα-helixtrans-61.3-39.1175.4-75.2-172.5176.7-167.10112.4K224 T225 G226 A232K224-K228 PolarHBondContact O-N 3.42Å; T225-K228 PolarHBondContact O-N 2.9Å; G226-K228 PolarHBondContact O-N 3.04Å; K228-A232 PolarHBondContact O-N 3.5Å; K228-A232 VanDerWaalsContact O-N 3.08Å
229K63Low72.2Confident158 Ų158137 Ų13769%0.68767%0.672SS**Hα-helixtrans-68-39175.6-69-173.4177.7-170.70112.5T225 G226 R227 A232 T233T225-K229 PolarHBondContact O-N 3.05Å; G226-K229 PolarHBondContact O-N 3.2Å; R227-K229 VanDerWaalsContact C-N 3.32Å; R227-K229 PolarHBondContact O-N 3.46Å; K229-A232 PolarHBondContact O-N 3.18Å; K229-T233 PolarHBondContact O-N 3.43Å; K229-T233 PolarHBondContact O-OG1 2.92Å
230Q59.5Low71.1Confident138 Ų138138.7 Ų138.765%0.64568%0.682SS**Hα-helixtrans-66.2-40.8175.2-71.7179.6-12.300112.1G226 R227 A232 T233G226-Q230 PolarHBondContact O-N 3.15Å; G226-Q230 VanDerWaalsContact O-N 3.09Å; R227-Q230 PolarHBondContact O-N 3.35Å; Q230-A232 VanDerWaalsContact C-N 3.28Å; Q230-A232 PolarHBondContact O-N 3.21Å; Q230-T233 WeakPolarHBondContact CA-OG1 3.28Å; Q230-T233 PolarHBondContact O-N 3.03Å; Q230-T233 VanDerWaalsContact O-N 3.14Å; Q230-T233 PolarHBondContact O-OG1 3.03Å; Q230-T233 VanDerWaalsContact O-OG1 3.06Å
231Q60Low69.9Low143 Ų143140.5 Ų140.567%0.66869%0.691SS**Hα-helixtrans-64.1-34174.5-73.3177.2-13.500112.3R227 T233R227-Q231 WeakPolarHBondContact O-CG 3.36Å; R227-Q231 PolarHBondContact O-N 2.92Å; Q231-T233 VanDerWaalsContact C-N 3.26Å; Q231-T233 PolarHBondContact O-N 3.33Å
232A60.1Low68.5Low88 Ų88140.1 Ų140.173%0.72769%0.694SS**Hα-helixtrans-73.6-14.4175.400000114K228 K229 Q230K228-A232 PolarHBondContact O-N 3.5Å; K228-A232 VanDerWaalsContact O-N 3.08Å; K229-A232 PolarHBondContact O-N 3.18Å; Q230-A232 VanDerWaalsContact C-N 3.28Å; Q230-A232 PolarHBondContact O-N 3.21Å
233T60.9Low67.1Low97 Ų97137.3 Ų137.360%0.59569%0.694SS**THydrogen-bonded Turntrans-106.718.1-176.141.50000113.3K229 Q230 Q231 V235K229-T233 PolarHBondContact O-N 3.43Å; K229-T233 PolarHBondContact O-OG1 2.92Å; Q230-T233 WeakPolarHBondContact CA-OG1 3.28Å; Q230-T233 PolarHBondContact O-N 3.03Å; Q230-T233 VanDerWaalsContact O-N 3.14Å; Q230-T233 PolarHBondContact O-OG1 3.03Å; Q230-T233 VanDerWaalsContact O-OG1 3.06Å; Q231-T233 VanDerWaalsContact C-N 3.26Å; Q231-T233 PolarHBondContact O-N 3.33Å; T233-V235 VanDerWaalsContact C-N 3.33Å; T233-V235 WeakPolarHBondContact O-CG2 3.39Å; T233-V235 PolarHBondContact O-N 3.28Å
234V59.1Low65.7Low118 Ų118138.9 Ų138.972%0.71570%0.701SS**  trans-69.695.2170-179.40000108.3V236V234-V236 PolarHBondContact O-N 2.93Å
235V60.4Low64.1Low127 Ų127139 Ų13977%0.7771%0.708SS**PPolyproline II helixtrans-65.5121.4179.5176.90000109.7T233T233-V235 VanDerWaalsContact C-N 3.33Å; T233-V235 WeakPolarHBondContact O-CG2 3.39Å; T233-V235 PolarHBondContact O-N 3.28Å
236V65.9Low62.6Low133 Ų133143.2 Ų143.281%0.80672%0.723SS**PPolyproline II helixtrans-69.5122.6165.9178.20000107.3V234V234-V236 PolarHBondContact O-N 2.93Å
237R58.6Low61.5Low232 Ų232152.5 Ų152.588%0.87576%0.755SS**PPolyproline II helixtrans-72.6133.5167.6-77.6179.1175.6159.5-2.1108
238E58.7Low60.9Low265 Ų265150.2 Ų150.2100%1.23876%0.763SS**  trans-530169.8-66.2-179.116300112.3

Retrieved 238 of 238 residues in 227.1 ms (Link to these results)