C4QRV0_SCHMA Loading...

G-patch domain-containing protein

AlphaFold DB , UniProt , Accession C4QRV0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 135 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M80.5Confident86.6Confident224 Ų224109.5 Ų109.5100%1.10362%0.622SS**  0-24.20-64.3-58.7-84.100113.3Y3M1-Y3 PolarHBondContact O-N 3.46Å
2G87.1Confident86.8Confident81 Ų81109.7 Ų109.784%0.83562%0.62SS**  trans66.52317400000114.3
3Y87.1Confident86.5Confident109 Ų109103.9 Ų103.943%0.42760%0.595SS.*PPolyproline II helixtrans-76.3128.7178.2173.3-99.2000110.4M1 Q7 F9M1-Y3 PolarHBondContact O-N 3.46Å; Y3-Q7 WeakPolarHBondContact CE2-O 3.3Å; Y3-F9 HydrophobicContact CD2-CD1 4.13Å; Y3-F9 AromaticContact CD2-CE1 3.5Å; Y3-F9 HydrophobicContact CD2-CE1 3.5Å; Y3-F9 HydrophobicContact CD2-CE2 4.07Å; Y3-F9 AromaticContact CD2-CZ 3.46Å; Y3-F9 HydrophobicContact CD2-CZ 3.46Å; Y3-F9 VanDerWaalsContact CD2-CZ 3.46Å; Y3-F9 HydrophobicContact CE2-CD2 4.5Å; Y3-F9 HydrophobicContact CE2-CE1 4.23Å; Y3-F9 AromaticContact CE2-CE2 3.96Å; Y3-F9 HydrophobicContact CE2-CE2 3.96Å; Y3-F9 AromaticContact CE2-CZ 3.81Å; Y3-F9 HydrophobicContact CE2-CZ 3.81Å; Y3-F9 HydrophobicContact CG-CE1 4.15Å; Y3-F9 HydrophobicContact CG-CZ 4.12Å
4E85.7Confident86.7Confident118 Ų118107.7 Ų107.755%0.55160%0.604SS**PPolyproline II helixtrans-100.6133.2171.7-63.8-171.8167.500110.1G6 Q7E4-G6 PolarHBondContact O-N 3.07Å; E4-Q7 HydrophobicContact CB-CB 4.45Å; E4-Q7 HydrophobicContact CB-CG 4.36Å; E4-Q7 PolarHBondContact O-N 3.46Å; E4-Q7 VanDerWaalsContact O-N 3.14Å; E4-Q7 VanDerWaalsContact OE2-CD 3.31Å; E4-Q7 PolarHBondContact OE2-NE2 3.44Å; E4-Q7 PolarHBondContact OE2-OE1 2.85Å
5H86.6Confident86.9Confident184 Ų184102.3 Ų102.385%0.85258%0.582SS**THydrogen-bonded Turntrans-61.8127.3-179.5-176.277.8000110.8
6G86.9Confident87Confident45 Ų45102.9 Ų102.946%0.46459%0.588SS.*THydrogen-bonded Turntrans92.4-2.7-178.500000114.7E4 V17E4-G6 PolarHBondContact O-N 3.07Å; G6-V17 WeakPolarHBondContact O-CG2 3.37Å
7Q88.1Confident87.2Confident83 Ų83101.5 Ų101.539%0.38858%0.582SS.*PPolyproline II helixtrans-101.2142.1173.9-76.4-179.64.800111.8Y3 E4 A13Y3-Q7 WeakPolarHBondContact CE2-O 3.3Å; E4-Q7 HydrophobicContact CB-CB 4.45Å; E4-Q7 HydrophobicContact CB-CG 4.36Å; E4-Q7 PolarHBondContact O-N 3.46Å; E4-Q7 VanDerWaalsContact O-N 3.14Å; E4-Q7 VanDerWaalsContact OE2-CD 3.31Å; E4-Q7 PolarHBondContact OE2-NE2 3.44Å; E4-Q7 PolarHBondContact OE2-OE1 2.85Å; Q7-A13 HydrophobicContact CB-CB 4.02Å; Q7-A13 HydrophobicContact CG-CB 4.13Å
8G88Confident87.3Confident7 Ų7104.2 Ų104.27%0.07259%0.588CS.*PPolyproline II helixtrans-67.4154.3171.700000111.8A13 G15G8-A13 PolarHBondContact N-O 2.96Å; G8-A13 VanDerWaalsContact O-CA 3.27Å; G8-A13 WeakPolarHBondContact O-CA 3.44Å; G8-G15 WeakPolarHBondContact CA-O 3.36Å
9F87.6Confident87.3Confident142 Ų142105.4 Ų105.462%0.62360%0.601SS**SBendtrans-68.2150.7168.8-72.2-77.4000111.7Y3 G15Y3-F9 HydrophobicContact CD2-CD1 4.13Å; Y3-F9 AromaticContact CD2-CE1 3.5Å; Y3-F9 HydrophobicContact CD2-CE1 3.5Å; Y3-F9 HydrophobicContact CD2-CE2 4.07Å; Y3-F9 AromaticContact CD2-CZ 3.46Å; Y3-F9 HydrophobicContact CD2-CZ 3.46Å; Y3-F9 VanDerWaalsContact CD2-CZ 3.46Å; Y3-F9 HydrophobicContact CE2-CD2 4.5Å; Y3-F9 HydrophobicContact CE2-CE1 4.23Å; Y3-F9 AromaticContact CE2-CE2 3.96Å; Y3-F9 HydrophobicContact CE2-CE2 3.96Å; Y3-F9 AromaticContact CE2-CZ 3.81Å; Y3-F9 HydrophobicContact CE2-CZ 3.81Å; Y3-F9 HydrophobicContact CG-CE1 4.15Å; Y3-F9 HydrophobicContact CG-CZ 4.12Å; F9-G15 VanDerWaalsContact O-CA 3.25Å; F9-G15 WeakPolarHBondContact O-CA 3.32Å; F9-G15 PolarHBondContact O-N 2.97Å
10G87.8Confident87.4Confident58 Ų58105.5 Ų105.560%0.59860%0.603SS**SBendtrans124.4160.2178.100000112.6N12 A13G10-N12 PolarHBondContact O-N 3.17Å; G10-A13 PolarHBondContact O-N 3.36Å
11V86.9Confident87.4Confident153 Ų153105.1 Ų105.193%0.92761%0.613SS**THydrogen-bonded Turntrans-55.2-30.4-174.6179.40000112.8
12N88.6Confident87.7Confident112 Ų112101.9 Ų101.960%0.59960%0.599SS**THydrogen-bonded Turntrans-113.816.9-178.1-58.3-19000113.2G10 H14G10-N12 PolarHBondContact O-N 3.17Å; N12-H14 WeakPolarHBondContact CB-CD2 3.27Å; N12-H14 WeakPolarHBondContact CB-NE2 3.24Å; N12-H14 PolarHBondContact O-CE1 3.38Å; N12-H14 PolarHBondContact O-N 3.41Å; N12-H14 VanDerWaalsContact O-N 3.16Å; N12-H14 PolarHBondContact O-ND1 3.06Å; N12-H14 VanDerWaalsContact O-ND1 3.11Å
13A84Confident87.2Confident35 Ų35103.9 Ų103.929%0.28960%0.6SS.*SBendtrans57.326-178.800000116.2Q7 G8 G10Q7-A13 HydrophobicContact CB-CB 4.02Å; Q7-A13 HydrophobicContact CG-CB 4.13Å; G8-A13 PolarHBondContact N-O 2.96Å; G8-A13 VanDerWaalsContact O-CA 3.27Å; G8-A13 WeakPolarHBondContact O-CA 3.44Å; G10-A13 PolarHBondContact O-N 3.36Å
14H88.6Confident86.7Confident157 Ų157107.8 Ų107.873%0.72762%0.619SS**  trans-89.83.2-176.7-59-35.9000114.9N12N12-H14 WeakPolarHBondContact CB-CD2 3.27Å; N12-H14 WeakPolarHBondContact CB-NE2 3.24Å; N12-H14 PolarHBondContact O-CE1 3.38Å; N12-H14 PolarHBondContact O-N 3.41Å; N12-H14 VanDerWaalsContact O-N 3.16Å; N12-H14 PolarHBondContact O-ND1 3.06Å; N12-H14 VanDerWaalsContact O-ND1 3.11Å
15G89.4Confident86Confident27 Ų27107.6 Ų107.628%0.27862%0.619SS.*SBendtrans-62155.6175.500000112.2G8 F9 V17G8-G15 WeakPolarHBondContact CA-O 3.36Å; F9-G15 VanDerWaalsContact O-CA 3.25Å; F9-G15 WeakPolarHBondContact O-CA 3.32Å; F9-G15 PolarHBondContact O-N 2.97Å; G15-V17 PolarHBondContact O-N 2.9Å
16V88.3Confident85.2Confident111 Ų111104.5 Ų104.567%0.67360%0.603SS**  trans-66.5129.8171.4-163.20000108.3E18V16-E18 WeakPolarHBondContact CG1-O 3.35Å
17V90.3Very high84.5Confident79 Ų79103.2 Ų103.248%0.47959%0.589SS.*SBendtrans-79.7-30-178.4-176.40000111.1G6 G15G6-V17 WeakPolarHBondContact O-CG2 3.37Å; G15-V17 PolarHBondContact O-N 2.9Å
18E88.9Confident83.7Confident151 Ų151109.1 Ų109.171%0.70661%0.608SS**SBendtrans-113.8148.7179.6-63.7-171.6165.700111V16 V20V16-E18 WeakPolarHBondContact CG1-O 3.35Å; E18-V20 PolarHBondContact O-N 3.37Å
19P87.9Confident82.8Confident127 Ų127111.7 Ų111.783%0.82563%0.625SS**PPolyproline II helixtrans-57.1138.6172.5-22.433000111.6A21P19-A21 PolarHBondContact O-N 3.05Å
20V89.6Confident82.1Confident107 Ų107107.6 Ų107.665%0.64862%0.623SS**PPolyproline II helixtrans-70.5121.1174-179.90000108.9E18 L22E18-V20 PolarHBondContact O-N 3.37Å; V20-L22 PolarHBondContact O-N 3.15Å
21A88.2Confident81.5Confident98 Ų98112.9 Ų112.981%0.8164%0.637SS**PPolyproline II helixtrans-64.1127175.700000110.4P19P19-A21 PolarHBondContact O-N 3.05Å
22L85.3Confident80.9Confident156 Ų156109.3 Ų109.382%0.81763%0.631SS**PPolyproline II helixtrans-103.7135175.3-60.7177.7000109.8V20V20-L22 PolarHBondContact O-N 3.15Å
23S76.9Confident79.9Confident122 Ų122107.6 Ų107.685%0.85363%0.627SS**PPolyproline II helixtrans-84.4125.1168.860.70000109.9
24K76.7Confident78.8Confident191 Ų191111.7 Ų111.783%0.8365%0.649SS**PPolyproline II helixtrans-85.7131.2169.4-65.1-174.3178.5-175.90110
25Q71.7Confident77.3Confident114 Ų114110.7 Ų110.753%0.53364%0.642SS.*PPolyproline II helixtrans-68.9133.4164.4-172.8175.8-52.400108.3G27 S29Q25-G27 PolarHBondContact NE2-O 3.28Å; Q25-S29 PolarHBondContact NE2-O 3.34Å
26K69.8Low75.5Confident119 Ų119113.6 Ų113.652%0.51766%0.655SS.*  trans-116.8125.9173.7-17965.4171.8155.90106.1D73K26-D73 WeakPolarHBondContact CE-O 3.38Å; K26-D73 PolarHBondContact NZ-O 3.08Å
27G71.2Confident73.7Confident18 Ų18115.8 Ų115.819%0.18667%0.669CS.*SBendtrans76.5-175.7-172.200000113.7Q25 S29Q25-G27 PolarHBondContact NE2-O 3.28Å; G27-S29 PolarHBondContact O-N 2.91Å
28R71.8Confident71.5Confident207 Ų207116.4 Ų116.478%0.78168%0.677SS**SBendtrans-99.230.4-177.5-58.8173.966133.60.1113.5D75R28-D75 WeakPolarHBondContact CD-OD2 3.05Å
29S68.7Low69.4Low61 Ų61112.2 Ų112.243%0.42766%0.664SS.*PPolyproline II helixtrans-67.6140.3177.5-71.40000111.1Q25 G27Q25-S29 PolarHBondContact NE2-O 3.34Å; G27-S29 PolarHBondContact O-N 2.91Å
30G74.2Confident67.2Low56 Ų56110.8 Ų110.858%0.57766%0.657SS**PPolyproline II helixtrans-60.2151.4174.200000112.4G32 S33G30-G32 PolarHBondContact O-N 3.4Å; G30-S33 VanDerWaalsContact O-CB 3.24Å; G30-S33 WeakPolarHBondContact O-CB 3.29Å; G30-S33 PolarHBondContact O-N 3.48Å; G30-S33 VanDerWaalsContact O-N 3.08Å
31L74Confident65.1Low169 Ų169112.8 Ų112.889%0.88566%0.664SS**THydrogen-bonded Turntrans-56.3131.2175.2-65.2172.3000110.1
32G74.8Confident62.9Low78 Ų78115.4 Ų115.480%0.80466%0.657SS**THydrogen-bonded Turntrans89.5-1.9-176.300000115.2G30 V34G30-G32 PolarHBondContact O-N 3.4Å; G32-V34 PolarHBondContact O-N 2.89Å; G32-V34 VanDerWaalsContact O-N 3.08Å
33S68.1Low60.9Low76 Ų76115.6 Ų115.653%0.53165%0.651SS.*  trans-67.9106.5171.7-166.60000110.1G30 K35G30-S33 VanDerWaalsContact O-CB 3.24Å; G30-S33 WeakPolarHBondContact O-CB 3.29Å; G30-S33 PolarHBondContact O-N 3.48Å; G30-S33 VanDerWaalsContact O-N 3.08Å; S33-K35 PolarHBondContact O-N 3.41Å
34V60.3Low59.6Low122 Ų122114.5 Ų114.574%0.73964%0.635SS**  trans-72.6115.8178.6179.40000108.4G32 T36G32-V34 PolarHBondContact O-N 2.89Å; G32-V34 VanDerWaalsContact O-N 3.08Å; V34-T36 PolarHBondContact O-N 3.02Å
35K57.1Low58Low135 Ų135112.7 Ų112.759%0.58763%0.629SS**  trans-64.397.8167.2-65.7-179.3-176.8174.70107.7S33 T37S33-K35 PolarHBondContact O-N 3.41Å; K35-T37 PolarHBondContact O-N 3.07Å
36T52.2Low56.7Low88 Ų88111.1 Ų111.154%0.5463%0.631SS.*  trans-60.5135.6164.455.20000106.8V34 S38 S39V34-T36 PolarHBondContact O-N 3.02Å; T36-S38 PolarHBondContact O-N 3.05Å; T36-S38 PolarHBondContact OG1-OG 3.47Å; T36-S38 VanDerWaalsContact OG1-OG 3.11Å; T36-S39 PolarHBondContact O-N 2.53Å
37T49.5Very low55.6Low158 Ų158113.2 Ų113.297%0.96964%0.64SS**THydrogen-bonded Turntrans-63.215.8-179.344.60000114.1K35K35-T37 PolarHBondContact O-N 3.07Å
38S44.7Very low54.6Low92 Ų92118.6 Ų118.664%0.64368%0.675SS**THydrogen-bonded Turntrans-106.30.9169.155.40000113.6T36 S40T36-S38 PolarHBondContact O-N 3.05Å; T36-S38 PolarHBondContact OG1-OG 3.47Å; T36-S38 VanDerWaalsContact OG1-OG 3.11Å; S38-S40 VanDerWaalsContact C-N 3.33Å; S38-S40 PolarHBondContact O-N 2.74Å
39S43.9Very low53.8Low63 Ų63111 Ų11144%0.44166%0.661SS.*  trans-9645177.6-1740000112.1T36 D41T36-S39 PolarHBondContact O-N 2.53Å; S39-D41 PolarHBondContact O-N 3.12Å
40S42.1Very low53.5Low96 Ų96117.5 Ų117.567%0.67169%0.685SS**SBendtrans-70.8117.6151.751.40000106.2S38 K42S38-S40 VanDerWaalsContact C-N 3.33Å; S38-S40 PolarHBondContact O-N 2.74Å; S40-K42 PolarHBondContact O-N 3.33Å
41D46.4Very low53.2Low149 Ų149120.1 Ų120.180%0.79769%0.685SS**  trans48.670.1170.9-48.3-33.7000113.3S39 K43S39-D41 PolarHBondContact O-N 3.12Å; D41-K43 PolarHBondContact O-N 3.25Å
42K42.2Very low53.1Low154 Ų154117.4 Ų117.467%0.6766%0.664SS**  trans-66.574.2143-69.3-159.8179-163.50106.5S40 I44S40-K42 PolarHBondContact O-N 3.33Å; K42-I44 PolarHBondContact O-N 3.08Å
43K43.6Very low53.3Low159 Ų159121.7 Ų121.769%0.69166%0.663SS**  trans-35.2113.8145.2176.4-177-175.6-176.20102.9D41 E45D41-K43 PolarHBondContact O-N 3.25Å; K43-E45 VanDerWaalsContact C-N 3.34Å; K43-E45 WeakPolarHBondContact O-CA 3.43Å; K43-E45 PolarHBondContact O-N 3.49Å
44I49.4Very low53.9Low99 Ų99118.6 Ų118.651%0.50864%0.641SS.*  trans-32.6108.9175.6-66167.7000104.6K42 S46 F47K42-I44 PolarHBondContact O-N 3.08Å; I44-S46 VanDerWaalsContact C-N 3.32Å; I44-S46 WeakPolarHBondContact O-CA 3.35Å; I44-S46 PolarHBondContact O-N 3.22Å; I44-F47 HydrophobicContact CG2-CD2 4.39Å
45E41.9Very low55Low154 Ų154117 Ų11772%0.7264%0.635SS**  trans-47.1111.3-174.9-92.7172.1179.700103.6K43 F47K43-E45 VanDerWaalsContact C-N 3.34Å; K43-E45 WeakPolarHBondContact O-CA 3.43Å; K43-E45 PolarHBondContact O-N 3.49Å; E45-F47 PolarHBondContact O-N 3.08Å
46S43.8Very low56.3Low81 Ų81112.3 Ų112.357%0.56662%0.617SS**  trans-47.3110.1-171.1-66.20000105.1I44 S48I44-S46 VanDerWaalsContact C-N 3.32Å; I44-S46 WeakPolarHBondContact O-CA 3.35Å; I44-S46 PolarHBondContact O-N 3.22Å; S46-S48 VanDerWaalsContact C-N 3.33Å; S46-S48 PolarHBondContact O-N 2.89Å
47F47.2Very low57.8Low162 Ų162119.3 Ų119.371%0.71163%0.633SS**  trans-48.2107.5-176.9-104.1-98.9000104.8I44 E45 G49I44-F47 HydrophobicContact CG2-CD2 4.39Å; E45-F47 PolarHBondContact O-N 3.08Å; F47-G49 PolarHBondContact O-N 3.04Å; F47-G49 VanDerWaalsContact O-O 3.1Å
48S50.1Low59.3Low131 Ų131116.7 Ų116.792%0.91661%0.614SS**  trans-81.14.5-174.667.70000111.1S46S46-S48 VanDerWaalsContact C-N 3.33Å; S46-S48 PolarHBondContact O-N 2.89Å
49G55.7Low61.1Low47 Ų47113.1 Ų113.149%0.48559%0.587SS.*SBendtrans-81.2146.8162.800000109.4F47 L51F47-G49 PolarHBondContact O-N 3.04Å; F47-G49 VanDerWaalsContact O-O 3.1Å; G49-L51 PolarHBondContact O-N 3.41Å
50E62.1Low62.8Low199 Ų199112.9 Ų112.993%0.9358%0.583SS**  trans-50.5110.1166.7-69.3176.9160.300107.9Y52E50-Y52 PolarHBondContact O-N 3.13Å
51L67.7Low64.6Low111 Ų111112.7 Ų112.758%0.58157%0.568SS**PPolyproline II helixtrans-52.1128.3170.7-86.6156.4000106.8G49 Q53G49-L51 PolarHBondContact O-N 3.41Å; L51-Q53 PolarHBondContact O-N 2.6Å; L51-Q53 VanDerWaalsContact O-N 3.08Å
52Y71.9Confident66.1Low111 Ų111108.7 Ų108.744%0.43554%0.544SS..PPolyproline II helixtrans-51.6122177.3-178.4-89.5000108.9E50 W80 E128 Y132E50-Y52 PolarHBondContact O-N 3.13Å; Y52-W80 HydrophobicContact CD1-CZ2 4.38Å; Y52-W80 VanDerWaalsContact O-CH2 3.23Å; Y52-W80 WeakPolarHBondContact O-CH2 3.46Å; Y52-W80 WeakPolarHBondContact O-CZ2 3.47Å; Y52-E128 HydrophobicContact CE1-CG 4.15Å; Y52-E128 VanDerWaalsContact CE1-OE1 3.29Å; Y52-E128 WeakPolarHBondContact CE1-OE1 3.12Å; Y52-E128 VanDerWaalsContact CZ-OE1 3.27Å; Y52-E128 WeakPolarHBondContact OH-CG 3.35Å; Y52-E128 PolarHBondContact OH-OE1 3.35Å; Y52-Y132 HydrophobicContact CE2-CD2 4.11Å; Y52-Y132 HydrophobicContact CE2-CE2 4.42Å
53Q79.1Confident67.6Low168 Ų168106.2 Ų106.279%0.78554%0.535SS*.PPolyproline II helixtrans-100.3129174.3-70.1-168.1-9.300108.8L51L51-Q53 PolarHBondContact O-N 2.6Å; L51-Q53 VanDerWaalsContact O-N 3.08Å
54S81.1Confident68.8Low12 Ų1299.5 Ų99.58%0.08451%0.511CS..PPolyproline II helixtrans-58.7144.5173.9-1780000110.6N56 H124 E128S54-N56 PolarHBondContact O-N 3.08Å; S54-N56 PolarHBondContact OG-N 3.26Å; S54-N56 VanDerWaalsContact OG-N 3.16Å; S54-H124 PolarHBondContact OG-CE1 3.39Å; S54-H124 VanDerWaalsContact OG-CE1 3.26Å; S54-E128 WeakPolarHBondContact CA-OE1 3.49Å; S54-E128 WeakPolarHBondContact CB-OE2 3.18Å; S54-E128 PolarHBondContact OG-OE2 3.18Å
55S84.4Confident69.3Low88 Ų8899 Ų9962%0.61552%0.515SS*.SBendtrans-62-20.6168.853.90000112.4R57 H124 E128S55-R57 PolarHBondContact O-N 3.22Å; S55-H124 PolarHBondContact OG-CE1 3.32Å; S55-H124 PolarHBondContact OG-NE2 3.16Å; S55-H124 VanDerWaalsContact OG-NE2 3.07Å; S55-E128 PolarHBondContact N-OE1 2.69Å; S55-E128 PolarHBondContact OG-OE1 3.22Å
56N83.6Confident70.2Confident37 Ų3795.5 Ų95.520%0.19850%0.501CS..SBendtrans-85.2107.6170.4-176-7.6000110.1S54 N58 L59 H124S54-N56 PolarHBondContact O-N 3.08Å; S54-N56 PolarHBondContact OG-N 3.26Å; S54-N56 VanDerWaalsContact OG-N 3.16Å; N56-N58 PolarHBondContact O-N 3.01Å; N56-N58 VanDerWaalsContact O-N 3.13Å; N56-N58 WeakPolarHBondContact OD1-CB 3.02Å; N56-N58 PolarHBondContact OD1-N 3.48Å; N56-L59 HydrophobicContact CB-CB 4.41Å; N56-L59 HydrophobicContact CB-CD1 3.98Å; N56-L59 HydrophobicContact CB-CG 4.18Å; N56-L59 PolarHBondContact O-N 3.13Å; N56-H124 WeakPolarHBondContact CB-CE1 3.35Å; N56-H124 PolarHBondContact N-CE1 2.82Å; N56-H124 VanDerWaalsContact N-CE1 3.32Å
57R83Confident70.8Confident234 Ų23497.6 Ų97.688%0.88351%0.506SS*.THydrogen-bonded Turntrans-63.2-18.1-179.3-64.1-174.1-178.8-174.7-0.2114.6S55 L59S55-R57 PolarHBondContact O-N 3.22Å; R57-L59 VanDerWaalsContact C-N 3.34Å
58N82.6Confident71.2Confident104 Ų10494.5 Ų94.556%0.55650%0.497SS*.THydrogen-bonded Turntrans-81.9-18177.2-59.5-18.9000111.7N56 M82N56-N58 PolarHBondContact O-N 3.01Å; N56-N58 VanDerWaalsContact O-N 3.13Å; N56-N58 WeakPolarHBondContact OD1-CB 3.02Å; N56-N58 PolarHBondContact OD1-N 3.48Å; N58-M82 HydrophobicContact CB-CG 4.34Å; N58-M82 HydrophobicContact CB-SD 4.23Å; N58-M82 VanDerWaalsContact O-CA 3.31Å; N58-M82 WeakPolarHBondContact O-CA 3.45Å
59L82Confident71.3Confident16 Ų1699.3 Ų99.38%0.08450%0.496CS..EExtended strand (participates in β ladder)trans-88.4122.3176.4-71.3175.5000109.5N56 R57 W80 M82 L125N56-L59 HydrophobicContact CB-CB 4.41Å; N56-L59 HydrophobicContact CB-CD1 3.98Å; N56-L59 HydrophobicContact CB-CG 4.18Å; N56-L59 PolarHBondContact O-N 3.13Å; R57-L59 VanDerWaalsContact C-N 3.34Å; L59-W80 HydrophobicContact CB-CE3 4.02Å; L59-W80 WeakPolarHBondContact O-CZ3 3.27Å; L59-M82 HydrophobicContact CD2-CG 4.11Å; L59-L125 HydrophobicContact CD1-CD1 4.08Å; L59-L125 HydrophobicContact CD1-CD2 3.84Å; L59-L125 HydrophobicContact CD1-CG 3.72Å
60V80Confident71.2Confident58 Ų58101.8 Ų101.835%0.35250%0.503SS..EExtended strand (participates in β ladder)trans-124.5141.3179.8178.20000108.8H62 W80 S81V60-H62 VanDerWaalsContact CB-NE2 3.27Å; V60-H62 WeakPolarHBondContact CB-NE2 3.29Å; V60-H62 WeakPolarHBondContact CG1-CE1 3.19Å; V60-H62 WeakPolarHBondContact CG1-NE2 3.44Å; V60-H62 PolarHBondContact O-CD2 2.9Å; V60-H62 VanDerWaalsContact O-CD2 3.31Å; V60-H62 PolarHBondContact O-N 2.76Å; V60-W80 VanDerWaalsContact C-CE3 3.44Å; V60-S81 PolarHBondContact N-O 3.32Å; V60-S81 PolarHBondContact O-N 3.31Å; V60-S81 VanDerWaalsContact O-N 3.15Å
61W80.1Confident71Confident93 Ų9394.6 Ų94.635%0.35247%0.472SS..EExtended strand (participates in β ladder)trans-81.1104.8176.3-170.1-116.2000108.6W78 S79 W80W61-W78 AromaticContact CD1-CE3 3.43Å; W61-W78 VanDerWaalsContact CD1-CE3 3.43Å; W61-W78 HydrophobicContact CD2-CB 4.31Å; W61-W78 VanDerWaalsContact CE2-CB 3.45Å; W61-W78 HydrophobicContact CG-CE3 4.25Å; W61-W78 HydrophobicContact CH2-CB 3.93Å; W61-W78 WeakPolarHBondContact CH2-O 3.24Å; W61-W78 HydrophobicContact CZ2-CB 3.25Å; W61-W78 HydrophobicContact CZ2-CG 4.24Å; W61-W78 AromaticContact NE1-CD2 3.72Å; W61-W78 AromaticContact NE1-CE3 3.42Å; W61-W78 AromaticContact NE1-CG 3.84Å; W61-S79 VanDerWaalsContact CZ3-C 3.45Å; W61-W80 HydrophobicContact CB-CD2 4.39Å; W61-W80 HydrophobicContact CB-CE3 4.18Å; W61-W80 HydrophobicContact CB-CH2 3.89Å; W61-W80 HydrophobicContact CB-CZ2 4.11Å; W61-W80 HydrophobicContact CB-CZ3 3.94Å; W61-W80 HydrophobicContact CD2-CD2 4.48Å; W61-W80 HydrophobicContact CD2-CZ2 4.46Å; W61-W80 HydrophobicContact CE3-CB 4.26Å; W61-W80 AromaticContact CE3-CD1 3.33Å; W61-W80 AromaticContact CE3-CD2 3.59Å; W61-W80 HydrophobicContact CE3-CD2 3.59Å; W61-W80 AromaticContact CE3-CE2 3.46Å; W61-W80 VanDerWaalsContact CE3-CE2 3.46Å; W61-W80 HydrophobicContact CE3-CE3 4.42Å; W61-W80 AromaticContact CE3-CG 3.48Å; W61-W80 HydrophobicContact CE3-CG 3.48Å; W61-W80 VanDerWaalsContact CE3-CG 3.48Å; W61-W80 HydrophobicContact CE3-CZ2 4.19Å; W61-W80 AromaticContact CE3-NE1 3.28Å; W61-W80 VanDerWaalsContact CE3-NE1 3.28Å; W61-W80 HydrophobicContact CZ3-CB 4.42Å; W61-W80 AromaticContact CZ3-CD1 3.21Å; W61-W80 HydrophobicContact CZ3-CD2 4.28Å; W61-W80 AromaticContact CZ3-CG 3.75Å; W61-W80 HydrophobicContact CZ3-CG 3.75Å; W61-W80 AromaticContact CZ3-NE1 3.41Å
62H76.3Confident70.4Confident64 Ų6494 Ų9430%0.29648%0.483SS..EExtended strand (participates in β ladder)trans-109.5149.6-177.8-64.3-68.3000110.7V60 G64 W78 S79 S81V60-H62 VanDerWaalsContact CB-NE2 3.27Å; V60-H62 WeakPolarHBondContact CB-NE2 3.29Å; V60-H62 WeakPolarHBondContact CG1-CE1 3.19Å; V60-H62 WeakPolarHBondContact CG1-NE2 3.44Å; V60-H62 PolarHBondContact O-CD2 2.9Å; V60-H62 VanDerWaalsContact O-CD2 3.31Å; V60-H62 PolarHBondContact O-N 2.76Å; H62-G64 PolarHBondContact O-N 3.26Å; H62-W78 VanDerWaalsContact C-CE3 3.48Å; H62-W78 CarbonylContact O-C 3.56Å; H62-W78 VanDerWaalsContact O-CA 3.31Å; H62-W78 WeakPolarHBondContact O-CA 3.11Å; H62-S79 PolarHBondContact N-O 2.91Å; H62-S79 PolarHBondContact O-N 3.29Å; H62-S81 PolarHBondContact CD2-OG 3.03Å
63E74.5Confident70.1Confident103 Ų10390.6 Ų90.648%0.48147%0.472SS..EExtended strand (participates in β ladder)trans-61.1127.1162.3-170.7174.9-176.700107.6Y76 W78E63-Y76 WeakPolarHBondContact OE1-CD1 3.23Å; E63-Y76 WeakPolarHBondContact OE1-CE1 3.25Å; E63-W78 HydrophobicContact CB-CD2 4.47Å; E63-W78 HydrophobicContact CB-CE3 4.36Å; E63-W78 HydrophobicContact CB-CH2 4.31Å; E63-W78 HydrophobicContact CB-CZ2 4.41Å; E63-W78 HydrophobicContact CB-CZ3 4.28Å
64G68.7Low69.2Low18 Ų1884.3 Ų84.319%0.18645%0.452CS..  trans-63.9142.2-177.800000110.6H62 D66 T77H62-G64 PolarHBondContact O-N 3.26Å; G64-D66 VanDerWaalsContact C-N 3.29Å; G64-D66 PolarHBondContact O-N 2.75Å; G64-D66 VanDerWaalsContact O-N 3.1Å; G64-T77 PolarHBondContact N-O 3.5Å
65C60Low68.5Low88 Ų8886.8 Ų86.860%0.59547%0.465SS*.  trans-80.284.5165.7-61.50000107.5C86C65-C86 VanDerWaalsContact CB-SG 3.54Å
66D60.6Low67.7Low80 Ų8090.1 Ų90.143%0.42847%0.465SS..  trans-88.696.1156.6-160.1-7.9000106.8G64 D68 T71G64-D66 VanDerWaalsContact C-N 3.29Å; G64-D66 PolarHBondContact O-N 2.75Å; G64-D66 VanDerWaalsContact O-N 3.1Å; D66-D68 PolarHBondContact O-N 3.18Å; D66-D68 PolarHBondContact OD1-N 2.96Å; D66-T71 WeakPolarHBondContact OD2-CG2 3.42Å
67D56.4Low67.1Low126 Ų12691.4 Ų91.467%0.67447%0.474SS*.  trans-58.7-23.8178.4-46.114.1000111Y69D67-Y69 PolarHBondContact O-N 3.06Å
68D55.5Low66.8Low97 Ų9785.8 Ų85.852%0.51945%0.453SS..  trans-84.7100.3176.3-90-17.2000109.1D66 T70D66-D68 PolarHBondContact O-N 3.18Å; D66-D68 PolarHBondContact OD1-N 2.96Å; D68-T70 HydrophobicContact CB-CG2 3.98Å; D68-T70 WeakPolarHBondContact CB-OG1 3.46Å; D68-T70 PolarHBondContact O-N 3.05Å
69Y53Low66.5Low231 Ų23182.8 Ų82.891%0.90644%0.44SS*.THydrogen-bonded Turntrans-56.918.1158.4-63.5-88.6000113.5D67D67-Y69 PolarHBondContact O-N 3.06Å
70T53.1Low66.4Low100 Ų10085.5 Ų85.561%0.61345%0.449SS*.THydrogen-bonded Turntrans-96.3-2.8-174.477.60000113.4D68 A72D68-T70 HydrophobicContact CB-CG2 3.98Å; D68-T70 WeakPolarHBondContact CB-OG1 3.46Å; D68-T70 PolarHBondContact O-N 3.05Å; T70-A72 PolarHBondContact O-N 3.44Å
71T56.9Low66.3Low48 Ų4883.5 Ų83.529%0.29444%0.438SS..  trans-56.4108.616747.50000108.5D66 D73 G74D66-T71 WeakPolarHBondContact OD2-CG2 3.42Å; T71-D73 WeakPolarHBondContact CB-OD1 3.22Å; T71-D73 PolarHBondContact O-N 3.14Å; T71-G74 PolarHBondContact O-N 3.08Å
72A56.6Low66.1Low97 Ų9782.8 Ų82.880%0.80244%0.44SS*.THydrogen-bonded Turntrans-61.2-19.1-169.800000112.6T70T70-A72 PolarHBondContact O-N 3.44Å
73D64.2Low65.7Low41 Ų4188.1 Ų88.122%0.21947%0.465CS..THydrogen-bonded Turntrans-92.1-23.8176.640.728.4000113.5K26 T71 D75K26-D73 WeakPolarHBondContact CE-O 3.38Å; K26-D73 PolarHBondContact NZ-O 3.08Å; T71-D73 WeakPolarHBondContact CB-OD1 3.22Å; T71-D73 PolarHBondContact O-N 3.14Å; D73-D75 VanDerWaalsContact C-N 3.32Å; D73-D75 WeakPolarHBondContact OD1-CB 3.39Å; D73-D75 PolarHBondContact OD1-N 3.37Å
74G61.2Low65.2Low35 Ų3587.1 Ų87.136%0.36148%0.482SS..  trans71.130.5-169.500000112.1T71T71-G74 PolarHBondContact O-N 3.08Å
75D65.7Low64.9Low65 Ų6592.2 Ų92.235%0.34850%0.501SS..PPolyproline II helixtrans-74133.3176.7-72.3-2.2000109.7R28 D73R28-D75 WeakPolarHBondContact CD-OD2 3.05Å; D73-D75 VanDerWaalsContact C-N 3.32Å; D73-D75 WeakPolarHBondContact OD1-CB 3.39Å; D73-D75 PolarHBondContact OD1-N 3.37Å
76Y67.7Low64.9Low158 Ų15890.9 Ų90.962%0.6249%0.492SS*.PPolyproline II helixtrans-80.2122.4172.8-62-71.6000109.4E63E63-Y76 WeakPolarHBondContact OE1-CD1 3.23Å; E63-Y76 WeakPolarHBondContact OE1-CE1 3.25Å
77T71Confident64.9Low64 Ų6491.1 Ų91.139%0.39350%0.498SS..PPolyproline II helixtrans-81152.5170.659.30000109.5G64G64-T77 PolarHBondContact N-O 3.5Å
78W76.1Confident65Low116 Ų11690.5 Ų90.544%0.43950%0.499SS..EExtended strand (participates in β ladder)trans-136.4141.9176.9-68.176.7000109.1W61 H62 E63W61-W78 AromaticContact CD1-CE3 3.43Å; W61-W78 VanDerWaalsContact CD1-CE3 3.43Å; W61-W78 HydrophobicContact CD2-CB 4.31Å; W61-W78 VanDerWaalsContact CE2-CB 3.45Å; W61-W78 HydrophobicContact CG-CE3 4.25Å; W61-W78 HydrophobicContact CH2-CB 3.93Å; W61-W78 WeakPolarHBondContact CH2-O 3.24Å; W61-W78 HydrophobicContact CZ2-CB 3.25Å; W61-W78 HydrophobicContact CZ2-CG 4.24Å; W61-W78 AromaticContact NE1-CD2 3.72Å; W61-W78 AromaticContact NE1-CE3 3.42Å; W61-W78 AromaticContact NE1-CG 3.84Å; H62-W78 VanDerWaalsContact C-CE3 3.48Å; H62-W78 CarbonylContact O-C 3.56Å; H62-W78 VanDerWaalsContact O-CA 3.31Å; H62-W78 WeakPolarHBondContact O-CA 3.11Å; E63-W78 HydrophobicContact CB-CD2 4.47Å; E63-W78 HydrophobicContact CB-CE3 4.36Å; E63-W78 HydrophobicContact CB-CH2 4.31Å; E63-W78 HydrophobicContact CB-CZ2 4.41Å; E63-W78 HydrophobicContact CB-CZ3 4.28Å
79S77.6Confident65.3Low41 Ų4191.1 Ų91.129%0.28750%0.502SS..EExtended strand (participates in β ladder)trans-144.9148.3-176.4550000112W61 H62W61-S79 VanDerWaalsContact CZ3-C 3.45Å; H62-S79 PolarHBondContact N-O 2.91Å; H62-S79 PolarHBondContact O-N 3.29Å
80W79.4Confident65.6Low72 Ų7282.6 Ų82.627%0.27348%0.476SS..EExtended strand (participates in β ladder)trans-80.4122.4166.3-73105.6000108.9Y52 L59 V60 W61 L125Y52-W80 HydrophobicContact CD1-CZ2 4.38Å; Y52-W80 VanDerWaalsContact O-CH2 3.23Å; Y52-W80 WeakPolarHBondContact O-CH2 3.46Å; Y52-W80 WeakPolarHBondContact O-CZ2 3.47Å; L59-W80 HydrophobicContact CB-CE3 4.02Å; L59-W80 WeakPolarHBondContact O-CZ3 3.27Å; V60-W80 VanDerWaalsContact C-CE3 3.44Å; W61-W80 HydrophobicContact CB-CD2 4.39Å; W61-W80 HydrophobicContact CB-CE3 4.18Å; W61-W80 HydrophobicContact CB-CH2 3.89Å; W61-W80 HydrophobicContact CB-CZ2 4.11Å; W61-W80 HydrophobicContact CB-CZ3 3.94Å; W61-W80 HydrophobicContact CD2-CD2 4.48Å; W61-W80 HydrophobicContact CD2-CZ2 4.46Å; W61-W80 HydrophobicContact CE3-CB 4.26Å; W61-W80 AromaticContact CE3-CD1 3.33Å; W61-W80 AromaticContact CE3-CD2 3.59Å; W61-W80 HydrophobicContact CE3-CD2 3.59Å; W61-W80 AromaticContact CE3-CE2 3.46Å; W61-W80 VanDerWaalsContact CE3-CE2 3.46Å; W61-W80 HydrophobicContact CE3-CE3 4.42Å; W61-W80 AromaticContact CE3-CG 3.48Å; W61-W80 HydrophobicContact CE3-CG 3.48Å; W61-W80 VanDerWaalsContact CE3-CG 3.48Å; W61-W80 HydrophobicContact CE3-CZ2 4.19Å; W61-W80 AromaticContact CE3-NE1 3.28Å; W61-W80 VanDerWaalsContact CE3-NE1 3.28Å; W61-W80 HydrophobicContact CZ3-CB 4.42Å; W61-W80 AromaticContact CZ3-CD1 3.21Å; W61-W80 HydrophobicContact CZ3-CD2 4.28Å; W61-W80 AromaticContact CZ3-CG 3.75Å; W61-W80 HydrophobicContact CZ3-CG 3.75Å; W61-W80 AromaticContact CZ3-NE1 3.41Å; W80-L125 HydrophobicContact CB-CD1 3.7Å; W80-L125 HydrophobicContact CD2-CD2 4.48Å; W80-L125 HydrophobicContact CG-CD1 3.88Å; W80-L125 HydrophobicContact CG-CD2 4.37Å
81S77.6Confident66.1Low17 Ų1783.6 Ų83.612%0.11948%0.478CS..EExtended strand (participates in β ladder)trans-144.1166.5170.669.40000111.5V60 H62 E85V60-S81 PolarHBondContact N-O 3.32Å; V60-S81 PolarHBondContact O-N 3.31Å; V60-S81 VanDerWaalsContact O-N 3.15Å; H62-S81 PolarHBondContact CD2-OG 3.03Å; S81-E85 WeakPolarHBondContact CB-O 3.39Å; S81-E85 PolarHBondContact OG-O 3.11Å
82M76.3Confident66.5Low78 Ų7885.3 Ų85.338%0.38449%0.491SS..EExtended strand (participates in β ladder)trans-78.9146.5168.3-62.2-166.5-141.900109.9N58 L59 G84 E85N58-M82 HydrophobicContact CB-CG 4.34Å; N58-M82 HydrophobicContact CB-SD 4.23Å; N58-M82 VanDerWaalsContact O-CA 3.31Å; N58-M82 WeakPolarHBondContact O-CA 3.45Å; L59-M82 HydrophobicContact CD2-CG 4.11Å; M82-G84 PolarHBondContact O-N 2.76Å; M82-E85 PolarHBondContact O-N 2.75Å
83E67.9Low67Low175 Ų17584.7 Ų84.782%0.81848%0.475SS*.THydrogen-bonded Turntrans-55.3115.4-178.9-170.8172.4-156.200110.7
84G64.2Low67.2Low83 Ų8385.2 Ų85.286%0.85648%0.477SS*.THydrogen-bonded Turntrans96.9-7.1-178.900000115.8M82M82-G84 PolarHBondContact O-N 2.76Å
85E62.6Low67.5Low125 Ų12590.4 Ų90.458%0.58449%0.49SS*.  trans-10299.5173.4-69.4-177.2173.400109.6S81 M82 P87S81-E85 WeakPolarHBondContact CB-O 3.39Å; S81-E85 PolarHBondContact OG-O 3.11Å; M82-E85 PolarHBondContact O-N 2.75Å; E85-P87 WeakPolarHBondContact O-CD 3.45Å
86C59.7Low67.7Low59 Ų5992.3 Ų92.340%0.39951%0.508SS..  trans-88113.5158.8-172.30000106.8C65 T88C65-C86 VanDerWaalsContact CB-SG 3.54Å; C86-T88 VanDerWaalsContact C-N 3.29Å; C86-T88 PolarHBondContact O-N 2.97Å
87P60.4Low67.8Low85 Ų8589.7 Ų89.755%0.55250%0.504SS*.  trans-69.392.6177.426.8-31.1000108.7E85 N89E85-P87 WeakPolarHBondContact O-CD 3.45Å; P87-N89 PolarHBondContact O-N 3.37Å
88T58.7Low68Low113 Ų11392 Ų9269%0.69351%0.513SS*.  trans-79.153.6172.152.90000109.9C86 S90C86-T88 VanDerWaalsContact C-N 3.29Å; C86-T88 PolarHBondContact O-N 2.97Å; T88-S90 PolarHBondContact O-N 2.91Å
89N60.6Low68.1Low111 Ų11190.8 Ų90.859%0.59451%0.514SS*.  trans-68.3106166.4-71.2-35.7000106.2P87P87-N89 PolarHBondContact O-N 3.37Å
90S59.7Low68.1Low51 Ų5191.3 Ų91.336%0.35752%0.518SS..  trans-64.2147.8175.175.80000107.8T88 S92 D93 L94T88-S90 PolarHBondContact O-N 2.91Å; S90-S92 PolarHBondContact O-N 3.09Å; S90-S92 WeakPolarHBondContact OG-CB 3.49Å; S90-D93 WeakPolarHBondContact CB-OD2 3.5Å; S90-D93 PolarHBondContact N-OD2 3.2Å; S90-D93 WeakPolarHBondContact O-CB 3.31Å; S90-D93 PolarHBondContact O-N 3.03Å; S90-D93 PolarHBondContact OG-N 3.22Å; S90-D93 PolarHBondContact OG-OD2 2.88Å; S90-L94 PolarHBondContact O-N 2.77Å
91L63.5Low68.1Low122 Ų12293.1 Ų93.164%0.63954%0.539SS*.Hα-helixtrans-55.2-26176.7-164.1143.7000111.4L94 K95L91-L94 PolarHBondContact O-N 2.95Å; L91-K95 HydrophobicContact CD2-CG 4.35Å; L91-K95 WeakPolarHBondContact O-CG 3.19Å; L91-K95 PolarHBondContact O-N 3.18Å; L91-K95 VanDerWaalsContact O-N 3.11Å
92S66.1Low68.4Low83 Ų8399.4 Ų99.458%0.5857%0.571SS**Hα-helixtrans-63.2-37.1172.3-51.90000113.5S90 L94 K95S90-S92 PolarHBondContact O-N 3.09Å; S90-S92 WeakPolarHBondContact OG-CB 3.49Å; S92-L94 VanDerWaalsContact C-N 3.32Å; S92-K95 PolarHBondContact O-N 3.43Å
93D67.6Low68.7Low85 Ų85100.2 Ų100.246%0.45557%0.574SS.*Hα-helixtrans-68.5-37.4177.5-56.3-45.3000110.4S90 S96S90-D93 WeakPolarHBondContact CB-OD2 3.5Å; S90-D93 PolarHBondContact N-OD2 3.2Å; S90-D93 WeakPolarHBondContact O-CB 3.31Å; S90-D93 PolarHBondContact O-N 3.03Å; S90-D93 PolarHBondContact OG-N 3.22Å; S90-D93 PolarHBondContact OG-OD2 2.88Å; D93-S96 PolarHBondContact O-OG 3.15Å
94L68.3Low69.4Low52 Ų5296.1 Ų96.127%0.27256%0.563SS.*Hα-helixtrans-71.7-27.6177.4-64.6175.4000113.5S90 L91 S92 S96 L97 I98 F120S90-L94 PolarHBondContact O-N 2.77Å; L91-L94 PolarHBondContact O-N 2.95Å; S92-L94 VanDerWaalsContact C-N 3.32Å; L94-S96 PolarHBondContact O-N 2.87Å; L94-S96 VanDerWaalsContact O-N 3.09Å; L94-L97 HydrophobicContact CD2-CD1 4.43Å; L94-L97 WeakPolarHBondContact O-CA 3.31Å; L94-L97 PolarHBondContact O-N 3.38Å; L94-I98 HydrophobicContact CB-CD1 3.86Å; L94-I98 HydrophobicContact CB-CG1 4.41Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 2.94Å; L94-F120 HydrophobicContact CD2-CE1 4.49Å
95K66.7Low70.1Confident144 Ų14498.5 Ų98.563%0.62655%0.552SS**THydrogen-bonded Turntrans-58.2-26178.7-79178.7-174.6179.70113.2L91 S92 L97L91-K95 HydrophobicContact CD2-CG 4.35Å; L91-K95 WeakPolarHBondContact O-CG 3.19Å; L91-K95 PolarHBondContact O-N 3.18Å; L91-K95 VanDerWaalsContact O-N 3.11Å; S92-K95 PolarHBondContact O-N 3.43Å; K95-L97 VanDerWaalsContact C-N 3.34Å
96S69.8Low71Confident105 Ų10594.6 Ų94.673%0.73454%0.54SS*.THydrogen-bonded Turntrans-78-19.6175.570.40000113.7D93 L94D93-S96 PolarHBondContact O-OG 3.15Å; L94-S96 PolarHBondContact O-N 2.87Å; L94-S96 VanDerWaalsContact O-N 3.09Å
97L70Confident71.9Confident103 Ų10398.9 Ų98.954%0.53956%0.558SS.*THydrogen-bonded Turntrans-102.5-24.5-176.7-64.8170.2000112.6L94 K95 I99 F120L94-L97 HydrophobicContact CD2-CD1 4.43Å; L94-L97 WeakPolarHBondContact O-CA 3.31Å; L94-L97 PolarHBondContact O-N 3.38Å; K95-L97 VanDerWaalsContact C-N 3.34Å; L97-I99 PolarHBondContact O-N 3.06Å; L97-F120 HydrophobicContact CB-CZ 4.43Å; L97-F120 HydrophobicContact CD1-CE1 4.28Å
98I75.2Confident72.9Confident112 Ų11297.3 Ų97.357%0.57456%0.558SS**  trans-83.5107.1-179.9-62.2165.7000109L94L94-I98 HydrophobicContact CB-CD1 3.86Å; L94-I98 HydrophobicContact CB-CG1 4.41Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 2.94Å
99I77.6Confident74.2Confident90 Ų9097.4 Ų97.446%0.46256%0.56SS.*  trans-76.5136.4170.3-53.8173.7000108L97 E103 E105 A106L97-I99 PolarHBondContact O-N 3.06Å; I99-E103 HydrophobicContact CG2-CB 3.98Å; I99-E105 HydrophobicContact CD1-CB 4.26Å; I99-E105 HydrophobicContact CG2-CB 4.3Å; I99-A106 HydrophobicContact CG2-CB 3.96Å
100S78.9Confident75.5Confident53 Ų5397.4 Ų97.437%0.37157%0.566SS.*  trans-63.3137.5173.6168.10000109.7D102 E103 A106S100-D102 PolarHBondContact O-N 2.96Å; S100-E103 PolarHBondContact O-N 3.42Å; S100-A106 WeakPolarHBondContact O-CB 3.25Å
101P79Confident76.8Confident109 Ų109100 Ų10071%0.70858%0.576SS**THydrogen-bonded Turntrans-62.3-17.6-177.827.1-36.2000113.6
102D83.2Confident78Confident149 Ų149103 Ų10380%0.79759%0.586SS**THydrogen-bonded Turntrans-89-9.9179.8-60.4-41.8000113.4S100S100-D102 PolarHBondContact O-N 2.96Å
103E83.8Confident79.2Confident96 Ų96105.1 Ų105.145%0.44959%0.587SS.*SBendtrans-81.8143.4-178.8-65.5-68.8166.300110.9I99 S100 E105 A106I99-E103 HydrophobicContact CG2-CB 3.98Å; S100-E103 PolarHBondContact O-N 3.42Å; E103-E105 PolarHBondContact O-N 2.92Å; E103-A106 VanDerWaalsContact O-CB 3.25Å; E103-A106 WeakPolarHBondContact O-CB 3.45Å; E103-A106 PolarHBondContact O-N 2.74Å
104P81.5Confident80.2Confident89 Ų89105.9 Ų105.958%0.57859%0.59SS**G310 helixtrans-62-26.9-178.926.6-34.2000112.6A106 L107P104-A106 PolarHBondContact O-N 3.49Å; P104-L107 PolarHBondContact O-N 3.41Å; P104-L107 VanDerWaalsContact O-N 3.12Å
105E79.7Confident81.3Confident133 Ų133107.1 Ų107.162%0.62160%0.597SS**G310 helixtrans-68.8-17.1174.9-5992.3-178.600113.5I99 E103 L107I99-E105 HydrophobicContact CD1-CB 4.26Å; I99-E105 HydrophobicContact CG2-CB 4.3Å; E103-E105 PolarHBondContact O-N 2.92Å; E105-L107 PolarHBondContact O-N 2.74Å
106A81.5Confident82.3Confident42 Ų42105.4 Ų105.435%0.34760%0.595SS.*G310 helixtrans-72.3-21.2172.400000112.1I99 S100 E103 P104 G108I99-A106 HydrophobicContact CG2-CB 3.96Å; S100-A106 WeakPolarHBondContact O-CB 3.25Å; E103-A106 VanDerWaalsContact O-CB 3.25Å; E103-A106 WeakPolarHBondContact O-CB 3.45Å; E103-A106 PolarHBondContact O-N 2.74Å; P104-A106 PolarHBondContact O-N 3.49Å; A106-G108 PolarHBondContact O-N 3.48Å
107L78.6Confident83.2Confident149 Ų149104.4 Ų104.478%0.7858%0.579SS**  trans-90.776.3175.2-61.6178.4000109.9P104 E105P104-L107 PolarHBondContact O-N 3.41Å; P104-L107 VanDerWaalsContact O-N 3.12Å; E105-L107 PolarHBondContact O-N 2.74Å
108G81.4Confident84.1Confident53 Ų53103.3 Ų103.355%0.54657%0.573SS.*PPolyproline II helixtrans-75.5167.4169.700000113.1A106A106-G108 PolarHBondContact O-N 3.48Å
109P85.5Confident84.5Confident114 Ų114106.1 Ų106.174%0.7458%0.581SS**PPolyproline II helixtrans-59.8156.4166.429.3-34.7000110.3I111P109-I111 PolarHBondContact O-N 3.4Å
110P87Confident84.5Confident111 Ų111108.9 Ų108.972%0.72159%0.59SS**PPolyproline II helixtrans-53.7134.6174-2433.7000111.5E112P110-E112 PolarHBondContact O-N 3.11Å
111I87.5Confident84.6Confident107 Ų107109 Ų10955%0.54959%0.591SS.*  trans-82.3113172.2-59.3172.3000107.5P109 E113 L114 E117P109-I111 PolarHBondContact O-N 3.4Å; I111-E113 WeakPolarHBondContact CG2-O 3.44Å; I111-L114 HydrophobicContact CG2-CD2 4.46Å; I111-E117 HydrophobicContact CG2-CG 4.22Å
112E90.1Very high84.9Confident184 Ų184106.2 Ų106.286%0.8657%0.573SS**  trans-95.1-23.1-179.1-62.3-173.1171.600112.8P110P110-E112 PolarHBondContact O-N 3.11Å
113E89.8Confident85.1Confident128 Ų128102 Ų10260%0.59855%0.551SS**  trans-124.6123.4-178.1-65-178.2177.500110.2I111I111-E113 WeakPolarHBondContact CG2-O 3.44Å
114L90.2Very high85.3Confident100 Ų10099.9 Ų99.952%0.52454%0.541SS..  trans-90.7-13.2-179.9-72.5174.6000113.3I111 N116 E117 V126 L130I111-L114 HydrophobicContact CG2-CD2 4.46Å; L114-N116 PolarHBondContact O-N 2.89Å; L114-E117 HydrophobicContact CD2-CG 4.29Å; L114-E117 PolarHBondContact O-N 3.38Å; L114-E117 VanDerWaalsContact O-N 3.15Å; L114-V126 WeakPolarHBondContact O-CG1 3.21Å; L114-L130 HydrophobicContact CB-CD1 4.16Å; L114-L130 HydrophobicContact CB-CD2 4.17Å; L114-L130 HydrophobicContact CD1-CD2 4.29Å
115D89.8Confident85.6Confident78 Ų7896.6 Ų96.642%0.41752%0.518SS..THydrogen-bonded Turntrans-60.7-21-173.3-62-84.2000113.7I123 L130D115-I123 WeakPolarHBondContact O-CD1 3.45Å; D115-L130 HydrophobicContact CB-CD1 4.41Å; D115-L130 VanDerWaalsContact OD1-CD1 3.32Å; D115-L130 WeakPolarHBondContact OD1-CD1 3.46Å
116N88.4Confident86.1Confident108 Ų10891.3 Ų91.358%0.57850%0.495SS*.THydrogen-bonded Turntrans-107.46.5-176.4-56.1-53.3000113.6L114 D118L114-N116 PolarHBondContact O-N 2.89Å; N116-D118 VanDerWaalsContact C-N 3.32Å; N116-D118 PolarHBondContact O-N 3.39Å; N116-D118 VanDerWaalsContact O-N 3.08Å
117E89.2Confident86.5Confident84 Ų8493.7 Ų93.739%0.39350%0.498SS..  trans-87.167.4-177.5-66.9-60.315000111.8I111 L114I111-E117 HydrophobicContact CG2-CG 4.22Å; L114-E117 HydrophobicContact CD2-CG 4.29Å; L114-E117 PolarHBondContact O-N 3.38Å; L114-E117 VanDerWaalsContact O-N 3.15Å
118D88.2Confident87Confident80 Ų8087.2 Ų87.243%0.42846%0.464SS..  trans-107.26.6-172.871.3-15.4000114.7N116 F120 C121 I123N116-D118 VanDerWaalsContact C-N 3.32Å; N116-D118 PolarHBondContact O-N 3.39Å; N116-D118 VanDerWaalsContact O-N 3.08Å; D118-F120 PolarHBondContact O-N 2.81Å; D118-F120 VanDerWaalsContact O-N 3.14Å; D118-C121 CarbonylContact C-O 3.31Å; D118-C121 VanDerWaalsContact C-O 3.31Å; D118-C121 WeakPolarHBondContact CA-O 3.37Å; D118-C121 WeakPolarHBondContact CB-O 3.49Å; D118-C121 PolarHBondContact O-N 3.39Å; D118-I123 HydrophobicContact CB-CB 3.94Å; D118-I123 HydrophobicContact CB-CD1 4.03Å
119K83Confident87.4Confident171 Ų17188.2 Ų88.274%0.74346%0.46SS*.SBendtrans-58.4-31.7-178-71.6-176.9-178.9172.40114.1
120F78.4Confident87.6Confident149 Ų14984.5 Ų84.565%0.65443%0.433SS*.SBendtrans-125.76.1-176.2-55.2-75.3000112.9L94 L97 D118L94-F120 HydrophobicContact CD2-CE1 4.49Å; L97-F120 HydrophobicContact CB-CZ 4.43Å; L97-F120 HydrophobicContact CD1-CE1 4.28Å; D118-F120 PolarHBondContact O-N 2.81Å; D118-F120 VanDerWaalsContact O-N 3.14Å
121C81.5Confident87.7Confident55 Ų5584.3 Ų84.337%0.37243%0.426SS..SBendtrans-146.8141.7-178.9-168.80000108.8D118 I123 V126D118-C121 CarbonylContact C-O 3.31Å; D118-C121 VanDerWaalsContact C-O 3.31Å; D118-C121 WeakPolarHBondContact CA-O 3.37Å; D118-C121 WeakPolarHBondContact CB-O 3.49Å; D118-C121 PolarHBondContact O-N 3.39Å; C121-I123 PolarHBondContact O-N 2.98Å; C121-V126 HydrophobicContact CB-CG2 3.96Å
122S84.5Confident87.7Confident50 Ų5086.6 Ų86.635%0.3543%0.429SS..  trans-55.8129.6173.81790000110.3H124 L125 V126S122-H124 PolarHBondContact O-N 2.94Å; S122-H124 PolarHBondContact OG-N 2.88Å; S122-L125 PolarHBondContact O-N 2.93Å; S122-V126 PolarHBondContact O-N 3.1Å; S122-V126 VanDerWaalsContact O-N 3.08Å
123I88.3Confident87.5Confident62 Ų6285 Ų8532%0.31842%0.42SS..Hα-helixtrans-48.8-35173.5-172.863.2000112.4D115 D118 C121 V126 Q127D115-I123 WeakPolarHBondContact O-CD1 3.45Å; D118-I123 HydrophobicContact CB-CB 3.94Å; D118-I123 HydrophobicContact CB-CD1 4.03Å; C121-I123 PolarHBondContact O-N 2.98Å; I123-V126 PolarHBondContact O-N 2.99Å; I123-Q127 WeakPolarHBondContact O-CG 3.47Å; I123-Q127 PolarHBondContact O-N 3.29Å
124H87.1Confident87Confident51 Ų5185.1 Ų85.124%0.23643%0.428CS..Hα-helixtrans-62-47.2176.4178.6-77.7000111.8S54 S55 N56 S122 Q127 E128S54-H124 PolarHBondContact OG-CE1 3.39Å; S54-H124 VanDerWaalsContact OG-CE1 3.26Å; S55-H124 PolarHBondContact OG-CE1 3.32Å; S55-H124 PolarHBondContact OG-NE2 3.16Å; S55-H124 VanDerWaalsContact OG-NE2 3.07Å; N56-H124 WeakPolarHBondContact CB-CE1 3.35Å; N56-H124 PolarHBondContact N-CE1 2.82Å; N56-H124 VanDerWaalsContact N-CE1 3.32Å; S122-H124 PolarHBondContact O-N 2.94Å; S122-H124 PolarHBondContact OG-N 2.88Å; H124-Q127 PolarHBondContact O-N 3.36Å; H124-E128 IonicContact CE1-OE2 3.13Å; H124-E128 PolarHBondContact CE1-OE2 3.19Å; H124-E128 IonicContact ND1-OE2 3.35Å; H124-E128 PolarHBondContact ND1-OE2 3.31Å; H124-E128 WeakPolarHBondContact O-CB 3.43Å; H124-E128 PolarHBondContact O-N 3.46Å
125L88Confident85.3Confident19 Ų1993.4 Ų93.410%0.09945%0.453CS..Hα-helixtrans-67.9-36.6179.5-71.6174000111.7L59 W80 S122 E128 V129L59-L125 HydrophobicContact CD1-CD1 4.08Å; L59-L125 HydrophobicContact CD1-CD2 3.84Å; L59-L125 HydrophobicContact CD1-CG 3.72Å; W80-L125 HydrophobicContact CB-CD1 3.7Å; W80-L125 HydrophobicContact CD2-CD2 4.48Å; W80-L125 HydrophobicContact CG-CD1 3.88Å; W80-L125 HydrophobicContact CG-CD2 4.37Å; S122-L125 PolarHBondContact O-N 2.93Å; L125-E128 PolarHBondContact O-N 2.84Å; L125-V129 WeakPolarHBondContact O-CB 3.34Å; L125-V129 VanDerWaalsContact O-CG2 3.29Å; L125-V129 WeakPolarHBondContact O-CG2 3.25Å; L125-V129 PolarHBondContact O-N 2.99Å
126V89.7Confident85.1Confident22 Ų2294.2 Ų94.213%0.13346%0.455CS..Hα-helixtrans-58.7-55.7174.6175.40000109.9L114 C121 S122 I123 E128 V129 L130L114-V126 WeakPolarHBondContact O-CG1 3.21Å; C121-V126 HydrophobicContact CB-CG2 3.96Å; S122-V126 PolarHBondContact O-N 3.1Å; S122-V126 VanDerWaalsContact O-N 3.08Å; I123-V126 PolarHBondContact O-N 2.99Å; V126-E128 VanDerWaalsContact C-N 3.29Å; V126-E128 PolarHBondContact O-N 2.65Å; V126-V129 PolarHBondContact O-N 2.9Å; V126-L130 HydrophobicContact CG1-CD1 3.9Å; V126-L130 HydrophobicContact CG1-CG 4.49Å; V126-L130 VanDerWaalsContact O-CG 3.27Å; V126-L130 WeakPolarHBondContact O-CG 3.15Å; V126-L130 PolarHBondContact O-N 3.06Å
127Q90.6Very high84.9Confident92 Ų9293.5 Ų93.543%0.4345%0.448SS..Hα-helixtrans-60-40.5178.7-71.1177.3-10.100112.1I123 H124 L130 N131I123-Q127 WeakPolarHBondContact O-CG 3.47Å; I123-Q127 PolarHBondContact O-N 3.29Å; H124-Q127 PolarHBondContact O-N 3.36Å; Q127-L130 PolarHBondContact O-N 3.05Å; Q127-N131 VanDerWaalsContact O-CB 3.24Å; Q127-N131 WeakPolarHBondContact O-CB 2.8Å; Q127-N131 PolarHBondContact O-N 3.03Å; Q127-N131 PolarHBondContact O-ND2 2.82Å
128E89.6Confident84.7Confident14 Ų1494 Ų947%0.06545%0.451CS..Hα-helixtrans-62.9-45.9179180166.3-157.500112.1Y52 S54 S55 H124 L125 V126 N131 Y132Y52-E128 HydrophobicContact CE1-CG 4.15Å; Y52-E128 VanDerWaalsContact CE1-OE1 3.29Å; Y52-E128 WeakPolarHBondContact CE1-OE1 3.12Å; Y52-E128 VanDerWaalsContact CZ-OE1 3.27Å; Y52-E128 WeakPolarHBondContact OH-CG 3.35Å; Y52-E128 PolarHBondContact OH-OE1 3.35Å; S54-E128 WeakPolarHBondContact CA-OE1 3.49Å; S54-E128 WeakPolarHBondContact CB-OE2 3.18Å; S54-E128 PolarHBondContact OG-OE2 3.18Å; S55-E128 PolarHBondContact N-OE1 2.69Å; S55-E128 PolarHBondContact OG-OE1 3.22Å; H124-E128 IonicContact CE1-OE2 3.13Å; H124-E128 PolarHBondContact CE1-OE2 3.19Å; H124-E128 IonicContact ND1-OE2 3.35Å; H124-E128 PolarHBondContact ND1-OE2 3.31Å; H124-E128 WeakPolarHBondContact O-CB 3.43Å; H124-E128 PolarHBondContact O-N 3.46Å; L125-E128 PolarHBondContact O-N 2.84Å; V126-E128 VanDerWaalsContact C-N 3.29Å; V126-E128 PolarHBondContact O-N 2.65Å; E128-N131 PolarHBondContact O-N 3.34Å; E128-Y132 WeakPolarHBondContact O-CB 2.99Å; E128-Y132 PolarHBondContact O-N 3.14Å
129V88.3Confident84.5Confident74 Ų7494.8 Ų94.845%0.44845%0.453SS..Hα-helixtrans-65.9-40.7176.4169.50000111.5L125 V126 Y132 K133L125-V129 WeakPolarHBondContact O-CB 3.34Å; L125-V129 VanDerWaalsContact O-CG2 3.29Å; L125-V129 WeakPolarHBondContact O-CG2 3.25Å; L125-V129 PolarHBondContact O-N 2.99Å; V126-V129 PolarHBondContact O-N 2.9Å; V129-Y132 PolarHBondContact O-N 3.11Å; V129-K133 HydrophobicContact CG1-CD 4.37Å; V129-K133 WeakPolarHBondContact O-CG 3.27Å; V129-K133 PolarHBondContact O-N 3.16Å
130L90.8Very high84.6Confident36 Ų3690.1 Ų90.119%0.18843%0.434CS..Hα-helixtrans-63.8-47.1176.7-68.2174.6000110.8L114 D115 V126 Q127 Y132 K133 V134L114-L130 HydrophobicContact CB-CD1 4.16Å; L114-L130 HydrophobicContact CB-CD2 4.17Å; L114-L130 HydrophobicContact CD1-CD2 4.29Å; D115-L130 HydrophobicContact CB-CD1 4.41Å; D115-L130 VanDerWaalsContact OD1-CD1 3.32Å; D115-L130 WeakPolarHBondContact OD1-CD1 3.46Å; V126-L130 HydrophobicContact CG1-CD1 3.9Å; V126-L130 HydrophobicContact CG1-CG 4.49Å; V126-L130 VanDerWaalsContact O-CG 3.27Å; V126-L130 WeakPolarHBondContact O-CG 3.15Å; V126-L130 PolarHBondContact O-N 3.06Å; Q127-L130 PolarHBondContact O-N 3.05Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 3.47Å; L130-K133 PolarHBondContact O-N 3.35Å; L130-V134 VanDerWaalsContact O-CG2 3.3Å; L130-V134 WeakPolarHBondContact O-CG2 3.2Å; L130-V134 PolarHBondContact O-N 3.29Å
131N88.7Confident85Confident107 Ų10786.1 Ų86.157%0.57242%0.42SS*.Hα-helixtrans-61.7-36176.1-75.3-37.7000112.9Q127 E128Q127-N131 VanDerWaalsContact O-CB 3.24Å; Q127-N131 WeakPolarHBondContact O-CB 2.8Å; Q127-N131 PolarHBondContact O-N 3.03Å; Q127-N131 PolarHBondContact O-ND2 2.82Å; E128-N131 PolarHBondContact O-N 3.34Å
132Y87.2Confident85.2Confident155 Ų15588.4 Ų88.461%0.60842%0.423SS*.Hα-helixtrans-66-40.7175.5-179.3-97.9000111.9Y52 E128 V129 L130Y52-Y132 HydrophobicContact CE2-CD2 4.11Å; Y52-Y132 HydrophobicContact CE2-CE2 4.42Å; E128-Y132 WeakPolarHBondContact O-CB 2.99Å; E128-Y132 PolarHBondContact O-N 3.14Å; V129-Y132 PolarHBondContact O-N 3.11Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 3.47Å
133K85.8Confident85.3Confident151 Ų15191.3 Ų91.366%0.65743%0.429SS*.Hα-helixtrans-76.1-26.6-178.7-75.5-178.9178.5178.90114.9V129 L130 R135V129-K133 HydrophobicContact CG1-CD 4.37Å; V129-K133 WeakPolarHBondContact O-CG 3.27Å; V129-K133 PolarHBondContact O-N 3.16Å; L130-K133 PolarHBondContact O-N 3.35Å; K133-R135 PolarHBondContact O-N 3.26Å
134V79.3Confident85Confident129 Ų12993.8 Ų93.878%0.78244%0.438SS*.THydrogen-bonded Turntrans-75.1-13.31791730000111.8L130L130-V134 VanDerWaalsContact O-CG2 3.3Å; L130-V134 WeakPolarHBondContact O-CG2 3.2Å; L130-V134 PolarHBondContact O-N 3.29Å
135R55.1Low84.8Confident275 Ų27597.6 Ų97.6100%1.03846%0.456SS*.  trans-90.70173.5-70-177.7177.2-178.81.6112K133K133-R135 PolarHBondContact O-N 3.26Å

Retrieved 135 of 135 residues in 48.5 ms (Link to these results)