G4V9U0_SCHMA Loading...

Putative 39s ribosomal protein L35, mitochondrial

AlphaFold DB , UniProt , Accession G4V9U0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 167 aa.

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

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
1M39Very low41.6Very low241 Ų241161.5 Ų161.5100%1.18787%0.865SS**  01470-83.8175.1163.100108.2
2I45.6Very low41.3Very low163 Ų163161.3 Ų161.384%0.83686%0.864SS**  trans90.676.9-179-45.9171.8000115.1
3Q41.2Very low41.2Very low175 Ų175164.3 Ų164.382%0.81887%0.865SS**  43.5104.6127.9-64.7-177.6-19.300120.1
4S39.9Very low41.2Very low113 Ų113169.9 Ų169.979%0.7987%0.871SS**  trans-74.5117.4156.950.50000111.3
5N46.2Very low41Very low138 Ų138163.6 Ų163.674%0.73887%0.865SS**  trans-146.3101164.4-83.4-33.1000109.3
6S39.6Very low41.2Very low118 Ų118161.2 Ų161.283%0.82586%0.858SS**  trans-169.859.5158.4350000110.8L8S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 3.21Å
7T46.9Very low40.8Very low136 Ų136162.8 Ų162.883%0.83486%0.856SS**  trans-90.565.1161.748.80000109.7
8L38Very low40.7Very low158 Ų158163.1 Ų163.183%0.82786%0.859SS**  trans-147.3146169.1-71.4176.2000108S6S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 3.21Å
9C39.5Very low40.7Very low127 Ų127160.5 Ų160.586%0.85886%0.855SS**SBendtrans98.835.1-178.6-41.70000117.1
10L40.4Very low40.8Very low178 Ų178160.9 Ų160.993%0.93286%0.856SS**SBendtrans-133.647.2156.8-79.7177.7000111.1
11R41.6Very low40.9Very low229 Ų229161.4 Ų161.486%0.86486%0.858SS**  trans-152.9100.4167-72.7-166.9176.1-152.1-1.2106.6
12N37.9Very low41.1Very low160 Ų160161.3 Ų161.386%0.85685%0.845SS**  trans166.571.6158.9-85-14000108.4
13F39.7Very low41.1Very low200 Ų200158.6 Ų158.688%0.87784%0.84SS**SBendtrans-169.441.7152.5-123.8-86.7000112.7
14Y41.7Very low41.2Very low243 Ų243157.6 Ų157.695%0.95385%0.846SS**  trans-14192.8162.8-71.4-75.8000107.1
15G37.7Very low41.5Very low75 Ų75156.8 Ų156.877%0.77384%0.84SS**  trans-176.451.2-172.300000112.4
16V44.6Very low41.5Very low125 Ų125156.1 Ų156.176%0.75884%0.841SS**  trans-148.1131161.9-175.60000107.1
17F34.4Very low41.9Very low189 Ų189157.3 Ų157.383%0.82984%0.844SS**SBendtrans95.563.3162-123.3-92.4000118.4
18N38.9Very low42Very low168 Ų168154.2 Ų154.290%0.89884%0.839SS**SBendtrans-160.582.2148.1-98.6-36.9000109.8
19S40.5Very low42.4Very low113 Ų113152.9 Ų152.979%0.7984%0.84SS**SBendtrans-163.40.216360.60000117.4
20L42.7Very low42.7Very low168 Ų168152.8 Ų152.888%0.8884%0.841SS**SBendtrans-101.218.6-175.2-111.6135.2000116
21L42.7Very low43.1Very low172 Ų172152.3 Ų152.390%0.90184%0.837SS**  trans-132.675.3174.6-71.4172.1000110.5
22R44.4Very low43.5Very low239 Ų239144.5 Ų144.590%0.90283%0.828SS**  trans-173120.6165-96.1166.7-156.9-1032.3102.3
23S45.2Very low44Very low106 Ų106142.8 Ų142.874%0.74183%0.825SS**  cis-170.2125.320.739.20000104.9
24V43.7Very low44.5Very low155 Ų155139.8 Ų139.894%0.93982%0.823SS**  trans-102.9112.8165.1173.50000106.2
25S45.5Very low44.7Very low96 Ų96134 Ų13467%0.67182%0.818SS**  trans-134.1101.8166.850.50000106.5
26T47.2Very low45.2Very low123 Ų123137 Ų13776%0.75582%0.816SS**  85.1144.198.8-38.80000112.9
27T47.7Very low45.1Very low144 Ų144136.3 Ų136.388%0.88381%0.813SS**  trans84.7125.2-176.8800000113.3
28G48.4Very low45.5Very low71 Ų71134.7 Ų134.773%0.73281%0.812SS**  cis167152.42.400000107.1
29P47.3Very low45.8Very low130 Ų130134.2 Ų134.284%0.84481%0.81SS**  trans-103.2165.9-144.238-33.4000115.3
30S45.3Very low45.6Very low125 Ų125134.5 Ų134.587%0.87480%0.802SS**  trans-135.8141.9154.777.70000111.4
31I48.3Very low45.4Very low167 Ų167136.3 Ų136.386%0.85680%0.803SS**  trans-96133.3-158.5-65.6158.7000109.5
32G50.3Low45.3Very low65 Ų65134.3 Ų134.367%0.6779%0.793SS**  trans-141.6125.816300000109.1
33P48Very low45.1Very low124 Ų124132 Ų13281%0.80579%0.79SS**  trans-88.9122.2-178.233.5-27.6000109.2
34V49.5Very low45Very low138 Ų138133.2 Ų133.284%0.83679%0.788SS**  trans-128.8102.3159.9-173.60000107.8N36V34-N36 PolarHBondContact O-N 3.44Å
35S47.3Very low44.9Very low120 Ų120132.5 Ų132.584%0.83978%0.775SS**  trans-63.4100.6169.949.20000110.6
36N46.9Very low44.6Very low138 Ų138139 Ų13974%0.73879%0.785SS**  trans-171.889.3147-150.2-23.5000109.9V34V34-N36 PolarHBondContact O-N 3.44Å
37V43.6Very low44.1Very low112 Ų112143.2 Ų143.268%0.67979%0.787SS**  trans-13467.7176.1-71.50000111.1
38N43.1Very low44.2Very low154 Ų154141.5 Ų141.582%0.82478%0.776SS**  trans-97.414.2163.1-78-22000113.5
39N43.6Very low44.3Very low159 Ų159145.6 Ų145.685%0.8578%0.78SS**  trans-104.763.7170-84.4-25.9000111.2
40L36.3Very low44.5Very low119 Ų119147.9 Ų147.962%0.62378%0.779SS**  trans-109.538.4171-90.7162.9000111.3
41F38.9Very low45.2Very low205 Ų205148.8 Ų148.890%0.89977%0.773SS**  trans-141.262.8167.3-72.5-75.6000110.3
42N40.6Very low45.3Very low130 Ų130145.7 Ų145.770%0.69576%0.764SS**  trans-13352.1164.6-122.4-33.9000109.5N44N42-N44 PolarHBondContact O-N 3.07Å; N42-N44 VanDerWaalsContact O-N 3.07Å
43F41.6Very low45.6Very low191 Ų191147.1 Ų147.184%0.83876%0.763SS**  trans-81.251.7163.6-90.2-85.9000110.1Q45F43-Q45 PolarHBondContact O-N 2.8Å
44N42.1Very low45.6Very low131 Ų131151.9 Ų151.970%0.70177%0.765SS**  trans-92.446.6163.3-85-41000110.2N42N42-N44 PolarHBondContact O-N 3.07Å; N42-N44 VanDerWaalsContact O-N 3.07Å
45Q42.5Very low45.6Very low141 Ų141151.4 Ų151.466%0.65976%0.758SS**  trans-121.178.7166.1-81.3-170.2-8.500108.6F43 R47F43-Q45 PolarHBondContact O-N 2.8Å; Q45-R47 PolarHBondContact O-N 2.82Å
46W38.8Very low45.5Very low233 Ų233154 Ų15488%0.88375%0.75SS**  trans-53.592146.2-70.596.2000107.2V48W46-V48 HydrophobicContact CB-CG2 4.36Å; W46-V48 PolarHBondContact O-N 3.04Å
47R35.8Very low45.8Very low211 Ų211158.2 Ų158.280%0.79676%0.755SS**  trans-68.779.9160.5-69.2-171.9-163.4-120.91.4106.1Q45 L49Q45-R47 PolarHBondContact O-N 2.82Å; R47-L49 PolarHBondContact O-N 2.84Å
48V50.6Low45.9Very low108 Ų108156.6 Ų156.666%0.65575%0.749SS**  trans-57.4112.6160.1-175.60000104.5W46 Q50W46-V48 HydrophobicContact CB-CG2 4.36Å; W46-V48 PolarHBondContact O-N 3.04Å; V48-Q50 PolarHBondContact O-N 2.76Å
49L49.9Very low46.4Very low156 Ų156155.7 Ų155.782%0.81774%0.739SS**  trans-5396.4164.6-78.1162.6000106.4R47 I51R47-L49 PolarHBondContact O-N 2.84Å; L49-I51 PolarHBondContact O-N 2.67Å
50Q52.2Low46.9Very low178 Ų178155.3 Ų155.383%0.83273%0.733SS**  trans-71.587.3172.1-70.1-152.8-31.500106.6V48 P52V48-Q50 PolarHBondContact O-N 2.76Å; Q50-P52 VanDerWaalsContact O-CD 3.23Å; Q50-P52 WeakPolarHBondContact O-CD 3.23Å; Q50-P52 VanDerWaalsContact O-N 3.14Å
51I59.7Low47.9Very low145 Ų145154.9 Ų154.974%0.74474%0.735SS**  trans-58.7113.7164.2-57.6164.6000104.7L49 S53L49-I51 PolarHBondContact O-N 2.67Å; I51-S53 PolarHBondContact O-N 3.22Å
52P49.9Very low49.1Very low102 Ų102147.4 Ų147.466%0.66270%0.702SS**  trans-59.6120.7175.624-31.1000106.5Q50 R54Q50-P52 VanDerWaalsContact O-CD 3.23Å; Q50-P52 WeakPolarHBondContact O-CD 3.23Å; Q50-P52 VanDerWaalsContact O-N 3.14Å; P52-R54 PolarHBondContact O-N 3.02Å
53S57.6Low50.2Low94 Ų94148.4 Ų148.466%0.65770%0.7SS**  trans-66.471.1177.657.50000109.7I51 N55I51-S53 PolarHBondContact O-N 3.22Å; S53-N55 PolarHBondContact O-N 3.46Å
54R48Very low51.2Low225 Ų225145 Ų14585%0.84968%0.683SS**THydrogen-bonded Turntrans-79.542.8-175.6-153179.1-163165.94.4110.8P52P52-R54 PolarHBondContact O-N 3.02Å
55N49.3Very low52.2Low128 Ų128147.3 Ų147.368%0.68468%0.683SS**THydrogen-bonded Turntrans-17425.6160.9-150.213.9000115.6S53 R57S53-N55 PolarHBondContact O-N 3.46Å; N55-R57 PolarHBondContact O-N 2.64Å
56R45.4Very low53.4Low174 Ų174142.1 Ų142.166%0.65766%0.662SS**  trans-89.794.8162.8-89.1-163.5-169.7-158.2-4.8107.9E59R56-E59 IonicContact CZ-OE1 3.82Å; R56-E59 IonicContact NE-OE1 3.98Å; R56-E59 IonicContact NH1-OE1 2.84Å; R56-E59 PolarHBondContact NH1-OE1 3.38Å; R56-E59 IonicContact NH1-OE2 3.46Å; R56-E59 PolarHBondContact NH1-OE2 3.35Å; R56-E59 IonicContact NH2-OE1 3.22Å; R56-E59 PolarHBondContact NH2-OE1 2.95Å
57R52.2Low55.2Low226 Ų226140.9 Ų140.985%0.85367%0.666SS**  trans-79.4-22.3178.4-71.3-166.3-162.8-173.83.1113.9N55N55-R57 PolarHBondContact O-N 2.64Å
58S46.8Very low57.3Low78 Ų78136.1 Ų136.155%0.54566%0.66SS.*  trans177.8133.6168.2430000107.4E60S58-E60 PolarHBondContact O-N 3.24Å; S58-E60 VanDerWaalsContact O-N 3.12Å
59E53.1Low58.5Low135 Ų135132.6 Ų132.663%0.63165%0.646SS**  trans-78.176151.9-76.7179.9166.300105.9R56 V61R56-E59 IonicContact CZ-OE1 3.82Å; R56-E59 IonicContact NE-OE1 3.98Å; R56-E59 IonicContact NH1-OE1 2.84Å; R56-E59 PolarHBondContact NH1-OE1 3.38Å; R56-E59 IonicContact NH1-OE2 3.46Å; R56-E59 PolarHBondContact NH1-OE2 3.35Å; R56-E59 IonicContact NH2-OE1 3.22Å; R56-E59 PolarHBondContact NH2-OE1 2.95Å; E59-V61 PolarHBondContact O-N 2.9Å
60E53.6Low59.8Low152 Ų152131.5 Ų131.571%0.7164%0.641SS**  trans-74.471.9166.9-98.2-178.4172.800108.3S58 K62S58-E60 PolarHBondContact O-N 3.24Å; S58-E60 VanDerWaalsContact O-N 3.12Å; E60-K62 PolarHBondContact O-N 3.18Å
61V58Low61.2Low110 Ų110129.7 Ų129.767%0.66763%0.628SS**  trans-59.1133.1154.8-179.10000106E59 K63E59-V61 PolarHBondContact O-N 2.9Å; V61-K63 PolarHBondContact O-N 3.46Å
62K64.1Low62.4Low48 Ų48124.7 Ų124.721%0.20960%0.602CS.*  trans-52.6109.1175.5-170.3-179.7-145.7179.40109E60 Y64 N72 P73 N128 L129 L130E60-K62 PolarHBondContact O-N 3.18Å; K62-Y64 WeakPolarHBondContact O-CD2 3.47Å; K62-Y64 PolarHBondContact O-N 3.12Å; K62-N72 WeakPolarHBondContact CD-OD1 3.47Å; K62-N72 WeakPolarHBondContact CE-OD1 3.24Å; K62-N72 PolarHBondContact NZ-OD1 3.31Å; K62-P73 WeakPolarHBondContact CE-O 3.47Å; K62-N128 WeakPolarHBondContact CD-O 3.12Å; K62-N128 WeakPolarHBondContact CE-O 3.2Å; K62-N128 PolarHBondContact NZ-O 2.82Å; K62-L129 VanDerWaalsContact CE-O 3.3Å; K62-L129 WeakPolarHBondContact CE-O 3.25Å; K62-L129 PolarHBondContact NZ-O 2.88Å; K62-L130 VanDerWaalsContact NZ-C 3.32Å; K62-L130 PolarHBondContact NZ-O 3.41Å
63K62.5Low64.2Low150 Ų150120.9 Ų120.965%0.65258%0.578SS**  trans-75.8115178.7-66.6-173.7179.4-179.10108.3V61 Y65V61-K63 PolarHBondContact O-N 3.46Å; K63-Y65 WeakPolarHBondContact O-CD2 3.38Å
64Y64Low65.8Low121 Ų121117.9 Ų117.948%0.47556%0.556SS.*  trans-77.2122.4162.1-64.4-97.3000106K62 S66 G69 N72K62-Y64 WeakPolarHBondContact O-CD2 3.47Å; K62-Y64 PolarHBondContact O-N 3.12Å; Y64-S66 VanDerWaalsContact C-N 3.33Å; Y64-G69 VanDerWaalsContact CD1-O 3.24Å; Y64-G69 WeakPolarHBondContact CD1-O 3.48Å; Y64-N72 HydrophobicContact CD1-CB 4.04Å; Y64-N72 HydrophobicContact CE1-CB 3.71Å
65Y61.8Low67.8Low178 Ų178109.6 Ų109.670%0.69853%0.528SS*.  trans-84.4-11.7-176.8-67.1-95.9000112.6K63 Y71 P73K63-Y65 WeakPolarHBondContact O-CD2 3.38Å; Y65-Y71 HydrophobicContact CD2-CD1 4.35Å; Y65-Y71 HydrophobicContact CD2-CE1 4.27Å; Y65-P73 HydrophobicContact CD2-CG 3.53Å; Y65-P73 HydrophobicContact CE2-CG 3.55Å
66S67.6Low69.8Low32 Ų32109.6 Ų109.622%0.22453%0.525CS..SBendtrans-93.9135.8176.356.60000111.2Y64 T68 G69 D70 Y71Y64-S66 VanDerWaalsContact C-N 3.33Å; S66-T68 PolarHBondContact O-N 2.84Å; S66-G69 PolarHBondContact O-N 3.49Å; S66-G69 WeakPolarHBondContact OG-CA 3.17Å; S66-G69 PolarHBondContact OG-N 3.32Å; S66-D70 PolarHBondContact OG-N 2.96Å; S66-D70 VanDerWaalsContact OG-N 3.17Å; S66-Y71 PolarHBondContact OG-N 3.17Å
67E76.2Confident72.1Confident208 Ų208105.8 Ų105.897%0.97252%0.517SS*.THydrogen-bonded Turntrans-54.6-36.1169.9-62.4-179.6175.500111.8G69E67-G69 VanDerWaalsContact C-N 3.26Å; E67-G69 PolarHBondContact O-N 2.91Å
68T81.2Confident74.1Confident110 Ų11095.2 Ų95.268%0.67548%0.478SS*.THydrogen-bonded Turntrans-70.3-17.3177.3-32.40000113.9S66 D70S66-T68 PolarHBondContact O-N 2.84Å; T68-D70 VanDerWaalsContact C-N 3.27Å; T68-D70 WeakPolarHBondContact CB-OD2 3.47Å; T68-D70 WeakPolarHBondContact CG2-OD2 3.39Å; T68-D70 PolarHBondContact O-N 3.45Å
69G75.2Confident76.4Confident35 Ų3593.2 Ų93.236%0.36146%0.461SS..SBendtrans76.70.4-175.900000116.2Y64 S66 E67Y64-G69 VanDerWaalsContact CD1-O 3.24Å; Y64-G69 WeakPolarHBondContact CD1-O 3.48Å; S66-G69 PolarHBondContact O-N 3.49Å; S66-G69 WeakPolarHBondContact OG-CA 3.17Å; S66-G69 PolarHBondContact OG-N 3.32Å; E67-G69 VanDerWaalsContact C-N 3.26Å; E67-G69 PolarHBondContact O-N 2.91Å
70D77.9Confident78.4Confident132 Ų13290 Ų9071%0.70646%0.464SS*.  trans-71.2-35.6-179.5-63.7-42.5000113.1S66 T68 N72S66-D70 PolarHBondContact OG-N 2.96Å; S66-D70 VanDerWaalsContact OG-N 3.17Å; T68-D70 VanDerWaalsContact C-N 3.27Å; T68-D70 WeakPolarHBondContact CB-OD2 3.47Å; T68-D70 WeakPolarHBondContact CG2-OD2 3.39Å; T68-D70 PolarHBondContact O-N 3.45Å; D70-N72 PolarHBondContact O-N 3.17Å
71Y81.9Confident80.4Confident141 Ų14190.3 Ų90.355%0.55346%0.459SS*.  trans-81.9103.7-175.9-172.8-104000111.1Y65 S66 P73Y65-Y71 HydrophobicContact CD2-CD1 4.35Å; Y65-Y71 HydrophobicContact CD2-CE1 4.27Å; S66-Y71 PolarHBondContact OG-N 3.17Å; Y71-P73 HydrophobicContact CD1-CG 4.15Å; Y71-P73 HydrophobicContact CE1-CB 3.74Å; Y71-P73 HydrophobicContact CE1-CG 3.7Å; Y71-P73 VanDerWaalsContact O-CD 3.29Å; Y71-P73 WeakPolarHBondContact O-CD 3.29Å
72N84.2Confident82.3Confident39 Ų3987.5 Ų87.521%0.20944%0.438CS..  trans-113.884.7-179-172.4-2.6000110.4K62 Y64 D70 N131K62-N72 WeakPolarHBondContact CD-OD1 3.47Å; K62-N72 WeakPolarHBondContact CE-OD1 3.24Å; K62-N72 PolarHBondContact NZ-OD1 3.31Å; Y64-N72 HydrophobicContact CD1-CB 4.04Å; Y64-N72 HydrophobicContact CE1-CB 3.71Å; D70-N72 PolarHBondContact O-N 3.17Å; N72-N131 HydrophobicContact CB-CB 4.47Å; N72-N131 VanDerWaalsContact O-CB 3.24Å; N72-N131 WeakPolarHBondContact O-CB 3.03Å; N72-N131 PolarHBondContact O-ND2 3.17Å
73P87Confident83.8Confident23 Ų2388.4 Ų88.415%0.14944%0.442CS..PPolyproline II helixtrans-69.5139.9179.527.7-31000110K62 Y65 Y71K62-P73 WeakPolarHBondContact CE-O 3.47Å; Y65-P73 HydrophobicContact CD2-CG 3.53Å; Y65-P73 HydrophobicContact CE2-CG 3.55Å; Y71-P73 HydrophobicContact CD1-CG 4.15Å; Y71-P73 HydrophobicContact CE1-CB 3.74Å; Y71-P73 HydrophobicContact CE1-CG 3.7Å; Y71-P73 VanDerWaalsContact O-CD 3.29Å; Y71-P73 WeakPolarHBondContact O-CD 3.29Å
74P91.1Very high85.4Confident31 Ų3184.3 Ų84.320%0.20142%0.422CS..PPolyproline II helixtrans-73151.6172.836.8-40.1000110.5Q76 I79 L130 W134P74-Q76 PolarHBondContact O-N 3.32Å; P74-I79 HydrophobicContact CB-CD1 3.59Å; P74-I79 HydrophobicContact CB-CG1 4.43Å; P74-I79 HydrophobicContact CG-CD1 3.55Å; P74-L130 HydrophobicContact CB-CD2 4.26Å; P74-W134 VanDerWaalsContact CB-CD1 3.43Å; P74-W134 HydrophobicContact CB-CG 4.38Å; P74-W134 VanDerWaalsContact CG-NE1 3.32Å
75N91.1Very high86.9Confident50 Ų5078.8 Ų78.827%0.26740%0.401SS..PPolyproline II helixtrans-70.8119.3166.6-172-44.1000110.1D77 A78 I79 L129N75-D77 VanDerWaalsContact C-N 3.34Å; N75-D77 PolarHBondContact O-N 3.11Å; N75-D77 WeakPolarHBondContact OD1-CB 3.38Å; N75-D77 PolarHBondContact OD1-N 3.39Å; N75-A78 HydrophobicContact CB-CB 4.25Å; N75-A78 WeakPolarHBondContact O-CB 3.46Å; N75-A78 PolarHBondContact O-N 3.28Å; N75-I79 PolarHBondContact O-N 2.95Å; N75-L129 HydrophobicContact CB-CB 3.94Å; N75-L129 HydrophobicContact CB-CD2 4.3Å; N75-L129 PolarHBondContact N-O 2.97Å
76Q91.8Very high88.5Confident129 Ų12973.4 Ų73.460%0.60338%0.379SS*.Hα-helixtrans-66.8-32.4-176.7-165.759.723.700113.2P74 A78 I79 G80P74-Q76 PolarHBondContact O-N 3.32Å; Q76-A78 VanDerWaalsContact C-N 3.28Å; Q76-A78 PolarHBondContact O-N 3.46Å; Q76-I79 PolarHBondContact O-N 2.95Å; Q76-G80 PolarHBondContact O-N 3.47Å
77D93.5Very high89.7Confident93 Ų9376.3 Ų76.350%0.49739%0.385SS..Hα-helixtrans-63.7-36.8174.8-83-52.4000111.7N75 G80 R81N75-D77 VanDerWaalsContact C-N 3.34Å; N75-D77 PolarHBondContact O-N 3.11Å; N75-D77 WeakPolarHBondContact OD1-CB 3.38Å; N75-D77 PolarHBondContact OD1-N 3.39Å; D77-G80 PolarHBondContact O-N 3.02Å; D77-R81 VanDerWaalsContact CG-NH2 3.32Å; D77-R81 WeakPolarHBondContact O-CB 3.45Å; D77-R81 WeakPolarHBondContact O-CD 3.49Å; D77-R81 WeakPolarHBondContact O-CG 3.49Å; D77-R81 PolarHBondContact O-N 2.94Å; D77-R81 IonicContact OD1-CZ 3.46Å; D77-R81 IonicContact OD1-NE 3.07Å; D77-R81 IonicContact OD1-NH2 3.58Å; D77-R81 PolarHBondContact OD1-NH2 3.28Å; D77-R81 IonicContact OD2-NH2 2.64Å
78A94.3Very high90.5Very high5 Ų567.3 Ų67.34%0.04135%0.349CS..Hα-helixtrans-66.4-41177.300000111N75 Q76 R81 F82 L129 L130N75-A78 HydrophobicContact CB-CB 4.25Å; N75-A78 WeakPolarHBondContact O-CB 3.46Å; N75-A78 PolarHBondContact O-N 3.28Å; Q76-A78 VanDerWaalsContact C-N 3.28Å; Q76-A78 PolarHBondContact O-N 3.46Å; A78-R81 PolarHBondContact O-N 3.49Å; A78-F82 WeakPolarHBondContact O-CD2 3.29Å; A78-F82 PolarHBondContact O-N 3.35Å; A78-F82 VanDerWaalsContact O-N 3.15Å; A78-L129 HydrophobicContact CB-CB 4.36Å; A78-L129 HydrophobicContact CB-CD1 4.41Å; A78-L130 HydrophobicContact CB-CD2 4Å
79I94.8Very high91.1Very high35 Ų3562.3 Ų62.318%0.17932%0.319CS..Hα-helixtrans-63.6-44.7177.2-65.5162.9000111.1P74 N75 Q76 R81 L130 W134P74-I79 HydrophobicContact CB-CD1 3.59Å; P74-I79 HydrophobicContact CB-CG1 4.43Å; P74-I79 HydrophobicContact CG-CD1 3.55Å; N75-I79 PolarHBondContact O-N 2.95Å; Q76-I79 PolarHBondContact O-N 2.95Å; I79-R81 VanDerWaalsContact C-N 3.29Å; I79-R81 PolarHBondContact O-N 3.22Å; I79-L130 HydrophobicContact CD1-CD2 4.48Å; I79-L130 HydrophobicContact CG1-CD2 3.72Å; I79-W134 HydrophobicContact CD1-CD2 3.86Å; I79-W134 HydrophobicContact CD1-CE3 4.33Å; I79-W134 HydrophobicContact CD1-CG 4.36Å; I79-W134 HydrophobicContact CD1-CH2 4Å; I79-W134 HydrophobicContact CD1-CZ2 3.5Å; I79-W134 VanDerWaalsContact CD1-CZ2 3.5Å; I79-W134 HydrophobicContact CD1-CZ3 4.39Å; I79-W134 HydrophobicContact CG1-CD2 4Å; I79-W134 HydrophobicContact CG1-CE3 4.12Å; I79-W134 HydrophobicContact CG1-CG 4.49Å; I79-W134 HydrophobicContact CG1-CH2 4.36Å; I79-W134 HydrophobicContact CG1-CZ2 4.26Å; I79-W134 HydrophobicContact CG1-CZ3 4.29Å; I79-W134 HydrophobicContact CG2-CE3 4.24Å; I79-W134 HydrophobicContact CG2-CH2 3.66Å; I79-W134 HydrophobicContact CG2-CZ2 4.29Å; I79-W134 HydrophobicContact CG2-CZ3 3.63Å
80G95Very high92.2Very high68 Ų6860.7 Ų60.770%0.70130%0.302SS*.Hα-helixtrans-71-20.2-176.400000114.7Q76 D77Q76-G80 PolarHBondContact O-N 3.47Å; D77-G80 PolarHBondContact O-N 3.02Å
81R96Very high93.1Very high158 Ų15855.3 Ų55.360%0.59627%0.272SS*.Hα-helixtrans-107.6-27.6-172.2-63.7175.1-162.8-171.28.9114.2D77 A78 I79D77-R81 VanDerWaalsContact CG-NH2 3.32Å; D77-R81 WeakPolarHBondContact O-CB 3.45Å; D77-R81 WeakPolarHBondContact O-CD 3.49Å; D77-R81 WeakPolarHBondContact O-CG 3.49Å; D77-R81 PolarHBondContact O-N 2.94Å; D77-R81 IonicContact OD1-CZ 3.46Å; D77-R81 IonicContact OD1-NE 3.07Å; D77-R81 IonicContact OD1-NH2 3.58Å; D77-R81 PolarHBondContact OD1-NH2 3.28Å; D77-R81 IonicContact OD2-NH2 2.64Å; A78-R81 PolarHBondContact O-N 3.49Å; I79-R81 VanDerWaalsContact C-N 3.29Å; I79-R81 PolarHBondContact O-N 3.22Å
82F97Very high93.8Very high52 Ų5250.8 Ų50.823%0.22826%0.256CS..  trans-123.4129.3-170.6-60.7-82.6000111.7A78 Y90 H92 T118 I126A78-F82 WeakPolarHBondContact O-CD2 3.29Å; A78-F82 PolarHBondContact O-N 3.35Å; A78-F82 VanDerWaalsContact O-N 3.15Å; F82-Y90 HydrophobicContact CB-CD1 3.98Å; F82-Y90 HydrophobicContact CB-CG 4.46Å; F82-H92 HydrophobicContact CD1-CB 3.67Å; F82-H92 HydrophobicContact CE1-CB 3.87Å; F82-H92 AromaticContact CE1-CD2 3.98Å; F82-H92 AromaticContact CE1-CG 3.85Å; F82-T118 HydrophobicContact CD1-CG2 3.83Å; F82-T118 HydrophobicContact CE1-CG2 3.72Å; F82-I126 HydrophobicContact CB-CD1 4.36Å; F82-I126 HydrophobicContact CD1-CD1 3.62Å; F82-I126 HydrophobicContact CD2-CD1 3.84Å; F82-I126 HydrophobicContact CD2-CG1 4.29Å; F82-I126 HydrophobicContact CE1-CD1 3.79Å; F82-I126 HydrophobicContact CE2-CD1 3.98Å; F82-I126 HydrophobicContact CE2-CG1 4.33Å; F82-I126 HydrophobicContact CG-CD1 3.68Å; F82-I126 HydrophobicContact CZ-CD1 3.96Å
83K95.6Very high94.4Very high66 Ų6650.8 Ų50.829%0.28726%0.261SS..EExtended strand (participates in β ladder)trans-93.2128.9167.7174.580.9178.3-148.60108.8Y90 I91 D143 Y145K83-Y90 CarbonylContact O-C 3.54Å; K83-Y90 VanDerWaalsContact O-CA 3.25Å; K83-Y90 WeakPolarHBondContact O-CA 3.47Å; K83-I91 PolarHBondContact N-O 3.24Å; K83-I91 PolarHBondContact O-N 3.05Å; K83-D143 IonicContact NZ-OD1 3.51Å; K83-D143 IonicContact NZ-OD2 2.74Å; K83-D143 PolarHBondContact NZ-OD2 3.18Å; K83-Y145 HydrophobicContact CD-CD2 4.48Å; K83-Y145 HydrophobicContact CG-CD2 4.35Å
84R95.6Very high94.9Very high65 Ų6552.4 Ų52.425%0.24527%0.265CS..EExtended strand (participates in β ladder)trans-86.8136.7176.5-175.8171.4166.5118.8-1.9111.6Y90 N127 R135R84-Y90 HydrophobicContact CB-CD1 3.9Å; R84-Y90 HydrophobicContact CB-CE1 3.62Å; R84-Y90 HydrophobicContact CG-CD1 4.34Å; R84-Y90 HydrophobicContact CG-CE1 3.82Å; R84-Y90 PolarHBondContact NH1-OH 3.1Å; R84-N127 PolarHBondContact NH1-OD1 2.98Å; R84-R135 PolarHBondContact NE-O 3.08Å; R84-R135 VanDerWaalsContact NE-O 3.13Å; R84-R135 PolarHBondContact NH2-O 3.35Å
85L96Very high95.1Very high4 Ų455.8 Ų55.82%0.02129%0.289CS..PPolyproline II helixtrans-98.7153.5170.8-59.5178.1000111.4W87 G88 A89 I91 L117L85-W87 VanDerWaalsContact C-N 3.33Å; L85-W87 HydrophobicContact CD1-CZ2 3.93Å; L85-W87 PolarHBondContact O-N 2.7Å; L85-G88 PolarHBondContact O-N 3.06Å; L85-A89 HydrophobicContact CD1-CB 4.48Å; L85-A89 PolarHBondContact N-O 2.99Å; L85-I91 HydrophobicContact CD1-CD1 3.81Å; L85-I91 HydrophobicContact CD1-CG1 3.85Å; L85-I91 HydrophobicContact CD2-CD1 3.73Å; L85-I91 HydrophobicContact CD2-CG1 4.3Å; L85-I91 HydrophobicContact CG-CD1 4.02Å; L85-I91 HydrophobicContact CG-CG1 4.08Å; L85-L117 HydrophobicContact CD1-CD2 4.08Å
86R94.6Very high95.3Very high66 Ų6654.8 Ų54.825%0.24929%0.291CS..THydrogen-bonded Turntrans-59.9-39-177.4-64.2-172.3-172.8131.511.4113.2G88 P137 K138 E146 H149R86-G88 PolarHBondContact O-N 2.94Å; R86-P137 HydrophobicContact CG-CB 3.93Å; R86-K138 PolarHBondContact NH2-O 2.99Å; R86-E146 IonicContact CZ-OE1 3.67Å; R86-E146 VanDerWaalsContact CZ-OE1 3.27Å; R86-E146 IonicContact CZ-OE2 3.51Å; R86-E146 IonicContact NH1-OE1 2.81Å; R86-E146 PolarHBondContact NH1-OE1 2.85Å; R86-E146 IonicContact NH1-OE2 3.59Å; R86-E146 VanDerWaalsContact NH2-CD 3.3Å; R86-E146 IonicContact NH2-OE1 3.77Å; R86-E146 PolarHBondContact NH2-OE1 3.14Å; R86-E146 IonicContact NH2-OE2 2.82Å; R86-E146 PolarHBondContact NH2-OE2 3.38Å; R86-H149 HydrophobicContact CB-CB 4.12Å; R86-H149 HydrophobicContact CG-CB 3.86Å; R86-H149 PolarHBondContact N-CD2 3.14Å
87W92.8Very high95.5Very high92 Ų9253.1 Ų53.135%0.34828%0.279SS..THydrogen-bonded Turntrans-73.2-3.8176.964-100.3000114.3L85 A89 L117 Y148 R151L85-W87 VanDerWaalsContact C-N 3.33Å; L85-W87 HydrophobicContact CD1-CZ2 3.93Å; L85-W87 PolarHBondContact O-N 2.7Å; W87-A89 HydrophobicContact CD2-CB 4.21Å; W87-A89 HydrophobicContact CE3-CB 3.79Å; W87-A89 HydrophobicContact CH2-CB 2.98Å; W87-A89 HydrophobicContact CZ2-CB 3.44Å; W87-A89 VanDerWaalsContact CZ2-CB 3.44Å; W87-A89 HydrophobicContact CZ3-CB 3.1Å; W87-L117 HydrophobicContact CH2-CD1 4.34Å; W87-L117 HydrophobicContact CH2-CD2 4.44Å; W87-L117 HydrophobicContact CZ2-CD1 4.28Å; W87-L117 HydrophobicContact CZ2-CD2 4.14Å; W87-Y148 PolarHBondContact NE1-O 3Å; W87-R151 VanDerWaalsContact CH2-NH2 3.26Å
88G93.4Very high95.6Very high20 Ų2052.6 Ų52.621%0.20629%0.288CS..SBendtrans1055.7166.800000116.9L85 R86 T123L85-G88 PolarHBondContact O-N 3.06Å; R86-G88 PolarHBondContact O-N 2.94Å; G88-T123 VanDerWaalsContact O-CG2 3.25Å; G88-T123 WeakPolarHBondContact O-CG2 3.46Å
89A94.8Very high95.7Very high5 Ų559.1 Ų59.14%0.04132%0.315CS..  trans-88.3169.4166.800000113.4L85 W87 L117L85-A89 HydrophobicContact CD1-CB 4.48Å; L85-A89 PolarHBondContact N-O 2.99Å; W87-A89 HydrophobicContact CD2-CB 4.21Å; W87-A89 HydrophobicContact CE3-CB 3.79Å; W87-A89 HydrophobicContact CH2-CB 2.98Å; W87-A89 HydrophobicContact CZ2-CB 3.44Å; W87-A89 VanDerWaalsContact CZ2-CB 3.44Å; W87-A89 HydrophobicContact CZ3-CB 3.1Å; A89-L117 HydrophobicContact CB-CD2 4.05Å
90Y97Very high95.8Very high1 Ų162.5 Ų62.50%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-116.7140.2170.9-61.4-92.4000110.3F82 K83 R84 L117 T118 T123 I126 N127 L130F82-Y90 HydrophobicContact CB-CD1 3.98Å; F82-Y90 HydrophobicContact CB-CG 4.46Å; K83-Y90 CarbonylContact O-C 3.54Å; K83-Y90 VanDerWaalsContact O-CA 3.25Å; K83-Y90 WeakPolarHBondContact O-CA 3.47Å; R84-Y90 HydrophobicContact CB-CD1 3.9Å; R84-Y90 HydrophobicContact CB-CE1 3.62Å; R84-Y90 HydrophobicContact CG-CD1 4.34Å; R84-Y90 HydrophobicContact CG-CE1 3.82Å; R84-Y90 PolarHBondContact NH1-OH 3.1Å; Y90-L117 WeakPolarHBondContact O-CA 3.46Å; Y90-T118 PolarHBondContact O-N 3.49Å; Y90-T118 PolarHBondContact O-OG1 3.27Å; Y90-T123 HydrophobicContact CD2-CG2 3.9Å; Y90-T123 HydrophobicContact CE2-CG2 3.87Å; Y90-I126 HydrophobicContact CD1-CD1 4.42Å; Y90-I126 HydrophobicContact CD1-CG2 3.91Å; Y90-I126 HydrophobicContact CD2-CB 4.3Å; Y90-I126 HydrophobicContact CD2-CD1 4.03Å; Y90-I126 HydrophobicContact CD2-CG2 4.28Å; Y90-I126 HydrophobicContact CE1-CB 4.42Å; Y90-I126 HydrophobicContact CE1-CG2 3.43Å; Y90-I126 VanDerWaalsContact CE1-CG2 3.43Å; Y90-I126 HydrophobicContact CE2-CB 3.99Å; Y90-I126 HydrophobicContact CE2-CG2 3.87Å; Y90-I126 HydrophobicContact CG-CD1 3.95Å; Y90-I126 HydrophobicContact CG-CG2 4.3Å; Y90-I126 VanDerWaalsContact CZ-CG2 3.42Å; Y90-N127 PolarHBondContact OH-OD1 3.46Å; Y90-L130 HydrophobicContact CE1-CD1 3.81Å
91I97.1Very high95.9Very high18 Ų1863.4 Ų63.49%0.09232%0.318CS..EExtended strand (participates in β ladder)trans-102.5140.1169.7-63.5178.4000108K83 L85 H115 L117 Y145K83-I91 PolarHBondContact N-O 3.24Å; K83-I91 PolarHBondContact O-N 3.05Å; L85-I91 HydrophobicContact CD1-CD1 3.81Å; L85-I91 HydrophobicContact CD1-CG1 3.85Å; L85-I91 HydrophobicContact CD2-CD1 3.73Å; L85-I91 HydrophobicContact CD2-CG1 4.3Å; L85-I91 HydrophobicContact CG-CD1 4.02Å; L85-I91 HydrophobicContact CG-CG1 4.08Å; I91-H115 HydrophobicContact CG2-CB 3.63Å; I91-L117 HydrophobicContact CG1-CD2 3.78Å; I91-Y145 HydrophobicContact CD1-CD1 3.93Å; I91-Y145 HydrophobicContact CD1-CE1 4.16Å; I91-Y145 HydrophobicContact CG2-CE1 4.5Å
92H97.2Very high95.9Very high47 Ų4764.9 Ų64.922%0.21833%0.325CS..EExtended strand (participates in β ladder)trans-146.4162.4170.271.9103.7000112.4F82 H115 I116F82-H92 HydrophobicContact CD1-CB 3.67Å; F82-H92 HydrophobicContact CE1-CB 3.87Å; F82-H92 AromaticContact CE1-CD2 3.98Å; F82-H92 AromaticContact CE1-CG 3.85Å; H92-H115 WeakPolarHBondContact O-CA 3.48Å; H92-I116 PolarHBondContact N-O 3.15Å; H92-I116 PolarHBondContact O-N 2.99Å
93A96.8Very high95.9Very high38 Ų3871.4 Ų71.431%0.31435%0.348SS..EExtended strand (participates in β ladder)trans-75.1145.8169.600000111.2
94R96.8Very high95.9Very high57 Ų5770.3 Ų70.322%0.21534%0.342CS..PPolyproline II helixtrans-60.9140.1170.9-70.7173.5-177-127.717.4110.4R111 E114 I116R94-R111 WeakPolarHBondContact CD-O 3.25Å; R94-R111 PolarHBondContact NE-O 3.28Å; R94-R111 VanDerWaalsContact NH1-NH1 3.14Å; R94-E114 IonicContact CZ-OE2 3.27Å; R94-E114 IonicContact NE-OE2 2.72Å; R94-E114 IonicContact NH2-OE2 2.93Å; R94-E114 PolarHBondContact NH2-OE2 3.05Å; R94-I116 HydrophobicContact CG-CD1 3.91Å; R94-I116 HydrophobicContact CG-CG1 4.09Å; R94-I116 HydrophobicContact CG-CG2 4Å
95S95Very high96Very high102 Ų10270.2 Ų70.271%0.71335%0.351SS*.THydrogen-bonded Turntrans-61.4139.2-179.356.80000111.8R97 R112S95-R97 VanDerWaalsContact C-N 3.28Å; S95-R97 PolarHBondContact O-N 2.72Å; S95-R112 PolarHBondContact O-NH1 3.34Å
96G96.1Very high96.1Very high30 Ų3075.8 Ų75.831%0.30938%0.377SS..THydrogen-bonded Turntrans69.919.1174.400000114.7A98 K99 R104G96-A98 PolarHBondContact O-N 3.45Å; G96-K99 PolarHBondContact O-N 3.24Å; G96-K99 VanDerWaalsContact O-N 3.16Å; G96-R104 PolarHBondContact O-NH1 2.98Å; G96-R104 PolarHBondContact O-NH2 3.16Å
97R96.2Very high96.3Very high94 Ų9476.8 Ų76.836%0.35540%0.395SS..THydrogen-bonded Turntrans-54.1-36178.669.9178.4-77-179.33.6113.5S95 L101 R104 R112 S113 H115S95-R97 VanDerWaalsContact C-N 3.28Å; S95-R97 PolarHBondContact O-N 2.72Å; R97-L101 WeakPolarHBondContact O-CD2 3.38Å; R97-R104 PolarHBondContact O-NH1 3.3Å; R97-R112 HydrophobicContact CB-CB 4.26Å; R97-R112 VanDerWaalsContact CB-O 3.25Å; R97-R112 WeakPolarHBondContact CB-O 3.22Å; R97-S113 PolarHBondContact NH1-O 3.43Å; R97-S113 PolarHBondContact NH2-O 2.81Å; R97-H115 PolarHBondContact NH1-NE2 3Å
98A95.6Very high96.5Very high82 Ų8275.1 Ų75.168%0.67839%0.391SS*.THydrogen-bonded Turntrans-910-178.100000115.4G96G96-A98 PolarHBondContact O-N 3.45Å
99K96.6Very high96.7Very high141 Ų14176 Ų7661%0.61339%0.39SS*.SBendtrans-96.8145.5-175.6-64.2-169.4175.5-172.20111.8G96 L101 R104G96-K99 PolarHBondContact O-N 3.24Å; G96-K99 VanDerWaalsContact O-N 3.16Å; K99-L101 VanDerWaalsContact C-N 3.27Å; K99-L101 PolarHBondContact O-N 3.22Å; K99-R104 PolarHBondContact O-NE 3.38Å; K99-R104 PolarHBondContact O-NH1 2.82Å; K99-R104 PolarHBondContact O-NH2 3.35Å
100H96.5Very high96.8Very high107 Ų10780.1 Ų80.150%0.49541%0.412SS..SBendtrans5040.5172.1-53.7-63000114.9Y102 R103H100-Y102 VanDerWaalsContact C-N 3.26Å; H100-Y102 HydrophobicContact CB-CE1 4.41Å; H100-Y102 PolarHBondContact O-N 2.99Å; H100-R103 PolarHBondContact O-N 3.01Å
101L96.9Very high96.8Very high87 Ų8785.6 Ų85.646%0.45543%0.432SS..G310 helixtrans-56.6-41.6-176-57.2-179.9000112R97 K99 R103 R104 L109R97-L101 WeakPolarHBondContact O-CD2 3.38Å; K99-L101 VanDerWaalsContact C-N 3.27Å; K99-L101 PolarHBondContact O-N 3.22Å; L101-R103 PolarHBondContact O-N 3.21Å; L101-R103 VanDerWaalsContact O-N 3.08Å; L101-R104 PolarHBondContact O-N 3.35Å; L101-R104 VanDerWaalsContact O-N 3.14Å; L101-L109 HydrophobicContact CB-CD2 4.35Å; L101-L109 HydrophobicContact CD2-CD2 3.75Å
102Y95.9Very high96.8Very high189 Ų18987.4 Ų87.474%0.74144%0.438SS*.G310 helixtrans-60.8-17.8-178.970.2-83.7000115.6H100H100-Y102 VanDerWaalsContact C-N 3.26Å; H100-Y102 HydrophobicContact CB-CE1 4.41Å; H100-Y102 PolarHBondContact O-N 2.99Å
103R97.1Very high96.8Very high189 Ų18987.7 Ų87.771%0.71345%0.446SS*.G310 helixtrans-97.9-10.7-178.8-59.2-177.965.8171.8-0.2113.1H100 L101H100-R103 PolarHBondContact O-N 3.01Å; L101-R103 PolarHBondContact O-N 3.21Å; L101-R103 VanDerWaalsContact O-N 3.08Å
104R96.7Very high96.8Very high42 Ų4290.3 Ų90.316%0.15845%0.451CS..SBendtrans-96.6147.4-169-68.6175.8178.5167.82.2110.3G96 R97 K99 L101 E108 L109 R112G96-R104 PolarHBondContact O-NH1 2.98Å; G96-R104 PolarHBondContact O-NH2 3.16Å; R97-R104 PolarHBondContact O-NH1 3.3Å; K99-R104 PolarHBondContact O-NE 3.38Å; K99-R104 PolarHBondContact O-NH1 2.82Å; K99-R104 PolarHBondContact O-NH2 3.35Å; L101-R104 PolarHBondContact O-N 3.35Å; L101-R104 VanDerWaalsContact O-N 3.14Å; R104-E108 HydrophobicContact CB-CB 4.4Å; R104-E108 IonicContact NE-OE1 3.59Å; R104-L109 HydrophobicContact CB-CD2 3.85Å; R104-L109 HydrophobicContact CB-CG 4.07Å; R104-R112 VanDerWaalsContact CZ-CD 3.5Å
105S97.6Very high96.8Very high63 Ų6392 Ų9244%0.44146%0.462SS..  trans-69.8156.1168.764.90000110.7S107 E108 L109S105-S107 VanDerWaalsContact C-N 3.27Å; S105-S107 PolarHBondContact O-N 2.86Å; S105-S107 PolarHBondContact OG-OG 2.81Å; S105-E108 PolarHBondContact O-N 2.99Å; S105-E108 PolarHBondContact OG-N 3.29Å; S105-L109 WeakPolarHBondContact O-CG 3.42Å; S105-L109 PolarHBondContact O-N 3.35Å
106E97.7Very high96.9Very high121 Ų12189.8 Ų89.857%0.56544%0.441SS*.Hα-helixtrans-57.3-40.1177.1-172.153.8-142.200112.4E108 L109 N110E106-E108 VanDerWaalsContact C-N 3.3Å; E106-E108 PolarHBondContact O-N 3.23Å; E106-L109 WeakPolarHBondContact O-CB 2.78Å; E106-L109 PolarHBondContact O-N 2.92Å; E106-N110 PolarHBondContact O-N 2.91Å; E106-N110 PolarHBondContact O-ND2 2.84Å; E106-N110 PolarHBondContact OE1-ND2 3.36Å
107S97.7Very high96.9Very high87 Ų8793 Ų9361%0.60845%0.451SS*.Hα-helixtrans-60.7-37.7174.857.90000112.8S105 R111S105-S107 VanDerWaalsContact C-N 3.27Å; S105-S107 PolarHBondContact O-N 2.86Å; S105-S107 PolarHBondContact OG-OG 2.81Å; S107-R111 WeakPolarHBondContact O-CB 3.46Å; S107-R111 PolarHBondContact O-N 3.33Å
108E97.3Very high97Very high57 Ų5789.4 Ų89.427%0.26644%0.439SS..Hα-helixtrans-71.7-38.2176-174.1177.4159.700111.5R104 S105 E106 R111 R112R104-E108 HydrophobicContact CB-CB 4.4Å; R104-E108 IonicContact NE-OE1 3.59Å; S105-E108 PolarHBondContact O-N 2.99Å; S105-E108 PolarHBondContact OG-N 3.29Å; E106-E108 VanDerWaalsContact C-N 3.3Å; E106-E108 PolarHBondContact O-N 3.23Å; E108-R111 PolarHBondContact O-N 3.34Å; E108-R112 HydrophobicContact CG-CG 4.31Å; E108-R112 WeakPolarHBondContact O-CB 3.3Å; E108-R112 WeakPolarHBondContact O-CG 3.34Å; E108-R112 PolarHBondContact O-N 3.13Å; E108-R112 IonicContact OE1-CZ 3.27Å; E108-R112 VanDerWaalsContact OE1-CZ 3.27Å; E108-R112 IonicContact OE1-NE 2.75Å; E108-R112 PolarHBondContact OE1-NE 3.38Å; E108-R112 IonicContact OE1-NH2 2.88Å; E108-R112 PolarHBondContact OE1-NH2 2.97Å
109L97.4Very high97Very high38 Ų3891 Ų9120%0.19944%0.436CS..Hα-helixtrans-61.3-47.1176.1-67.8177.2000111.4L101 R104 S105 E106 R112 S113L101-L109 HydrophobicContact CB-CD2 4.35Å; L101-L109 HydrophobicContact CD2-CD2 3.75Å; R104-L109 HydrophobicContact CB-CD2 3.85Å; R104-L109 HydrophobicContact CB-CG 4.07Å; S105-L109 WeakPolarHBondContact O-CG 3.42Å; S105-L109 PolarHBondContact O-N 3.35Å; E106-L109 WeakPolarHBondContact O-CB 2.78Å; E106-L109 PolarHBondContact O-N 2.92Å; L109-R112 PolarHBondContact O-N 3.49Å; L109-S113 WeakPolarHBondContact O-CB 3.29Å; L109-S113 PolarHBondContact O-N 3.2Å; L109-S113 PolarHBondContact O-OG 2.99Å
110N97.3Very high97Very high92 Ų9294.6 Ų94.649%0.49245%0.446SS..Hα-helixtrans-60.2-52.2175.9-74.1-38.3000111.1E106 R112 S113 E114E106-N110 PolarHBondContact O-N 2.91Å; E106-N110 PolarHBondContact O-ND2 2.84Å; E106-N110 PolarHBondContact OE1-ND2 3.36Å; N110-R112 VanDerWaalsContact C-N 3.29Å; N110-R112 PolarHBondContact O-N 3.24Å; N110-S113 WeakPolarHBondContact O-CB 3.24Å; N110-S113 PolarHBondContact O-N 3.19Å; N110-E114 PolarHBondContact O-N 3.32Å
111R97.4Very high97Very high116 Ų11692.8 Ų92.844%0.43845%0.45SS..Hα-helixtrans-57-40.7178-170.9-173.971.3114.42.2112.6R94 S107 E108 S113 E114R94-R111 WeakPolarHBondContact CD-O 3.25Å; R94-R111 PolarHBondContact NE-O 3.28Å; R94-R111 VanDerWaalsContact NH1-NH1 3.14Å; S107-R111 WeakPolarHBondContact O-CB 3.46Å; S107-R111 PolarHBondContact O-N 3.33Å; E108-R111 PolarHBondContact O-N 3.34Å; R111-S113 VanDerWaalsContact C-N 3.34Å; R111-E114 WeakPolarHBondContact O-CB 3.41Å
112R97.2Very high96.9Very high56 Ų5691.2 Ų91.221%0.21144%0.444CS..Hα-helixtrans-75.5-22179.8-77-171.9-173.1-91.91.5113.7S95 R97 R104 E108 L109 N110 E114S95-R112 PolarHBondContact O-NH1 3.34Å; R97-R112 HydrophobicContact CB-CB 4.26Å; R97-R112 VanDerWaalsContact CB-O 3.25Å; R97-R112 WeakPolarHBondContact CB-O 3.22Å; R104-R112 VanDerWaalsContact CZ-CD 3.5Å; E108-R112 HydrophobicContact CG-CG 4.31Å; E108-R112 WeakPolarHBondContact O-CB 3.3Å; E108-R112 WeakPolarHBondContact O-CG 3.34Å; E108-R112 PolarHBondContact O-N 3.13Å; E108-R112 IonicContact OE1-CZ 3.27Å; E108-R112 VanDerWaalsContact OE1-CZ 3.27Å; E108-R112 IonicContact OE1-NE 2.75Å; E108-R112 PolarHBondContact OE1-NE 3.38Å; E108-R112 IonicContact OE1-NH2 2.88Å; E108-R112 PolarHBondContact OE1-NH2 2.97Å; L109-R112 PolarHBondContact O-N 3.49Å; N110-R112 VanDerWaalsContact C-N 3.29Å; N110-R112 PolarHBondContact O-N 3.24Å; R112-E114 VanDerWaalsContact C-N 3.26Å
113S96.4Very high96.9Very high54 Ų5483.3 Ų83.338%0.37842%0.415SS..Hα-helixtrans-75.8-18.3178.4-65.40000112.9R97 L109 N110 R111R97-S113 PolarHBondContact NH1-O 3.43Å; R97-S113 PolarHBondContact NH2-O 2.81Å; L109-S113 WeakPolarHBondContact O-CB 3.29Å; L109-S113 PolarHBondContact O-N 3.2Å; L109-S113 PolarHBondContact O-OG 2.99Å; N110-S113 WeakPolarHBondContact O-CB 3.24Å; N110-S113 PolarHBondContact O-N 3.19Å; R111-S113 VanDerWaalsContact C-N 3.34Å
114E97.2Very high96.7Very high92 Ų9281 Ų8143%0.4341%0.41SS..SBendtrans-61.4143.5175.7-63.7165.5-170.400113.1R94 N110 R111 R112R94-E114 IonicContact CZ-OE2 3.27Å; R94-E114 IonicContact NE-OE2 2.72Å; R94-E114 IonicContact NH2-OE2 2.93Å; R94-E114 PolarHBondContact NH2-OE2 3.05Å; N110-E114 PolarHBondContact O-N 3.32Å; R111-E114 WeakPolarHBondContact O-CB 3.41Å; R112-E114 VanDerWaalsContact C-N 3.26Å
115H97Very high96.6Very high94 Ų9483.8 Ų83.844%0.43543%0.428SS..EExtended strand (participates in β ladder)trans-87.7132.4162.5-64.7131000109.7I91 H92 R97 Y145I91-H115 HydrophobicContact CG2-CB 3.63Å; H92-H115 WeakPolarHBondContact O-CA 3.48Å; R97-H115 PolarHBondContact NH1-NE2 3Å; H115-Y145 PolarHBondContact CE1-OH 2.97Å; H115-Y145 PolarHBondContact ND1-OH 3.09Å
116I97Very high96.4Very high54 Ų5480.9 Ų80.928%0.27741%0.407SS..EExtended strand (participates in β ladder)trans-117.8155.3-177.961166.3000110.9H92 R94H92-I116 PolarHBondContact N-O 3.15Å; H92-I116 PolarHBondContact O-N 2.99Å; R94-I116 HydrophobicContact CG-CD1 3.91Å; R94-I116 HydrophobicContact CG-CG1 4.09Å; R94-I116 HydrophobicContact CG-CG2 4Å
117L96.8Very high96.2Very high98 Ų9877 Ų7751%0.51339%0.391SS..EExtended strand (participates in β ladder)trans-79.7148.1172-68.5170.8000111L85 W87 A89 Y90 I91L85-L117 HydrophobicContact CD1-CD2 4.08Å; W87-L117 HydrophobicContact CH2-CD1 4.34Å; W87-L117 HydrophobicContact CH2-CD2 4.44Å; W87-L117 HydrophobicContact CZ2-CD1 4.28Å; W87-L117 HydrophobicContact CZ2-CD2 4.14Å; A89-L117 HydrophobicContact CB-CD2 4.05Å; Y90-L117 WeakPolarHBondContact O-CA 3.46Å; I91-L117 HydrophobicContact CG1-CD2 3.78Å
118T97.1Very high95.9Very high18 Ų1877 Ų7711%0.1138%0.383CS..PPolyproline II helixtrans-74.8147.1173.453.70000112.4F82 Y90 T122 T123 I126F82-T118 HydrophobicContact CD1-CG2 3.83Å; F82-T118 HydrophobicContact CE1-CG2 3.72Å; Y90-T118 PolarHBondContact O-N 3.49Å; Y90-T118 PolarHBondContact O-OG1 3.27Å; T118-T122 HydrophobicContact CG2-CG2 4.06Å; T118-T123 PolarHBondContact OG1-OG1 3.36Å; T118-I126 HydrophobicContact CG2-CD1 4.25Å
119N96.3Very high95.7Very high116 Ų11676.6 Ų76.662%0.6238%0.383SS*.PPolyproline II helixtrans-64.1156.5166.9-172.74.5000110.5A121 T122 T123N119-A121 VanDerWaalsContact C-N 3.32Å; N119-A121 PolarHBondContact O-N 3.42Å; N119-T122 WeakPolarHBondContact O-CB 3.48Å; N119-T122 PolarHBondContact O-N 3.43Å; N119-T122 VanDerWaalsContact O-N 3.11Å; N119-T123 PolarHBondContact O-N 3.26Å; N119-T123 PolarHBondContact O-OG1 3.2Å
120R96Very high95.4Very high217 Ų21775.2 Ų75.282%0.81938%0.376SS*.Hα-helixtrans-50.8-45.1177.8-174179.6-175.6-176.51.5113.2T122 T123 F124R120-T122 VanDerWaalsContact C-N 3.35Å; R120-T122 PolarHBondContact O-N 3Å; R120-T123 WeakPolarHBondContact O-CB 3.32Å; R120-T123 PolarHBondContact O-N 2.85Å; R120-F124 PolarHBondContact O-N 2.95Å
121A96.3Very high95.1Very high69 Ų6971.7 Ų71.757%0.5736%0.357SS*.Hα-helixtrans-62-42.5179.600000112N119 F124 L125N119-A121 VanDerWaalsContact C-N 3.32Å; N119-A121 PolarHBondContact O-N 3.42Å; A121-F124 WeakPolarHBondContact O-CB 3.3Å; A121-F124 PolarHBondContact O-N 3.19Å; A121-L125 PolarHBondContact O-N 3.5Å
122T95.4Very high94.8Very high54 Ų5474.1 Ų74.133%0.33137%0.371SS..Hα-helixtrans-67.1-42176.9-49.40000111.3T118 N119 R120 F124 L125 I126T118-T122 HydrophobicContact CG2-CG2 4.06Å; N119-T122 WeakPolarHBondContact O-CB 3.48Å; N119-T122 PolarHBondContact O-N 3.43Å; N119-T122 VanDerWaalsContact O-N 3.11Å; R120-T122 VanDerWaalsContact C-N 3.35Å; R120-T122 PolarHBondContact O-N 3Å; T122-F124 VanDerWaalsContact C-N 3.28Å; T122-F124 PolarHBondContact O-N 3.21Å; T122-L125 WeakPolarHBondContact O-CB 3.44Å; T122-L125 PolarHBondContact O-N 2.93Å; T122-I126 HydrophobicContact CG2-CD1 3.92Å; T122-I126 HydrophobicContact CG2-CG1 4.46Å; T122-I126 VanDerWaalsContact O-CG1 3.29Å; T122-I126 WeakPolarHBondContact O-CG1 3.33Å; T122-I126 PolarHBondContact O-N 2.74Å
123T95.8Very high94.6Very high22 Ų2278 Ų7814%0.13539%0.391CS..Hα-helixtrans-57-43.2173.5-60.70000111.4G88 Y90 T118 N119 R120 I126 N127G88-T123 VanDerWaalsContact O-CG2 3.25Å; G88-T123 WeakPolarHBondContact O-CG2 3.46Å; Y90-T123 HydrophobicContact CD2-CG2 3.9Å; Y90-T123 HydrophobicContact CE2-CG2 3.87Å; T118-T123 PolarHBondContact OG1-OG1 3.36Å; N119-T123 PolarHBondContact O-N 3.26Å; N119-T123 PolarHBondContact O-OG1 3.2Å; R120-T123 WeakPolarHBondContact O-CB 3.32Å; R120-T123 PolarHBondContact O-N 2.85Å; T123-I126 PolarHBondContact O-N 2.98Å; T123-N127 VanDerWaalsContact O-CG 3.27Å; T123-N127 PolarHBondContact O-N 2.84Å; T123-N127 PolarHBondContact O-ND2 3.17Å; T123-N127 VanDerWaalsContact O-ND2 3.14Å
124F94.1Very high94.5Very high140 Ų14079.6 Ų79.661%0.61439%0.389SS*.Hα-helixtrans-61.8-47.5175.8178.1-99.2000111.9R120 A121 T122 I126 N127 N128R120-F124 PolarHBondContact O-N 2.95Å; A121-F124 WeakPolarHBondContact O-CB 3.3Å; A121-F124 PolarHBondContact O-N 3.19Å; T122-F124 VanDerWaalsContact C-N 3.28Å; T122-F124 PolarHBondContact O-N 3.21Å; F124-I126 PolarHBondContact O-N 2.89Å; F124-N127 WeakPolarHBondContact O-CB 3.11Å; F124-N127 PolarHBondContact O-N 3.45Å; F124-N128 WeakPolarHBondContact CE1-ND2 3.41Å; F124-N128 PolarHBondContact O-N 2.98Å; F124-N128 PolarHBondContact O-ND2 3.09Å
125L93.9Very high94.3Very high101 Ų10179.9 Ų79.953%0.52939%0.386SS..Hα-helixtrans-56.7-50.2176.2179.968.2000111.9A121 T122 N127 N128 L129A121-L125 PolarHBondContact O-N 3.5Å; T122-L125 WeakPolarHBondContact O-CB 3.44Å; T122-L125 PolarHBondContact O-N 2.93Å; L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 PolarHBondContact O-N 2.72Å; L125-N128 WeakPolarHBondContact O-CB 3.47Å; L125-N128 PolarHBondContact O-N 3.21Å; L125-N128 VanDerWaalsContact O-N 3.08Å; L125-L129 HydrophobicContact CG-CD1 4.27Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.35Å
126I94.3Very high94.2Very high3 Ų379 Ų792%0.01539%0.387CS..Hα-helixtrans-61.7-38.7-178.7-63.5162.7000111.2F82 Y90 T118 T122 T123 F124 N128 L129 L130F82-I126 HydrophobicContact CB-CD1 4.36Å; F82-I126 HydrophobicContact CD1-CD1 3.62Å; F82-I126 HydrophobicContact CD2-CD1 3.84Å; F82-I126 HydrophobicContact CD2-CG1 4.29Å; F82-I126 HydrophobicContact CE1-CD1 3.79Å; F82-I126 HydrophobicContact CE2-CD1 3.98Å; F82-I126 HydrophobicContact CE2-CG1 4.33Å; F82-I126 HydrophobicContact CG-CD1 3.68Å; F82-I126 HydrophobicContact CZ-CD1 3.96Å; Y90-I126 HydrophobicContact CD1-CD1 4.42Å; Y90-I126 HydrophobicContact CD1-CG2 3.91Å; Y90-I126 HydrophobicContact CD2-CB 4.3Å; Y90-I126 HydrophobicContact CD2-CD1 4.03Å; Y90-I126 HydrophobicContact CD2-CG2 4.28Å; Y90-I126 HydrophobicContact CE1-CB 4.42Å; Y90-I126 HydrophobicContact CE1-CG2 3.43Å; Y90-I126 VanDerWaalsContact CE1-CG2 3.43Å; Y90-I126 HydrophobicContact CE2-CB 3.99Å; Y90-I126 HydrophobicContact CE2-CG2 3.87Å; Y90-I126 HydrophobicContact CG-CD1 3.95Å; Y90-I126 HydrophobicContact CG-CG2 4.3Å; Y90-I126 VanDerWaalsContact CZ-CG2 3.42Å; T118-I126 HydrophobicContact CG2-CD1 4.25Å; T122-I126 HydrophobicContact CG2-CD1 3.92Å; T122-I126 HydrophobicContact CG2-CG1 4.46Å; T122-I126 VanDerWaalsContact O-CG1 3.29Å; T122-I126 WeakPolarHBondContact O-CG1 3.33Å; T122-I126 PolarHBondContact O-N 2.74Å; T123-I126 PolarHBondContact O-N 2.98Å; F124-I126 PolarHBondContact O-N 2.89Å; I126-N128 PolarHBondContact O-N 2.84Å; I126-L129 PolarHBondContact O-N 2.75Å; I126-L129 VanDerWaalsContact O-N 3.1Å; I126-L130 HydrophobicContact CG2-CD1 3.67Å; I126-L130 HydrophobicContact CG2-CG 4.03Å; I126-L130 WeakPolarHBondContact O-CG 3.47Å; I126-L130 PolarHBondContact O-N 2.88Å
127N93.2Very high94.1Very high40 Ų4079.8 Ų79.821%0.21440%0.396CS..Hα-helixtrans-59.4-31.3176.8-78.3-33.6000113.1R84 Y90 T123 F124 L125R84-N127 PolarHBondContact NH1-OD1 2.98Å; Y90-N127 PolarHBondContact OH-OD1 3.46Å; T123-N127 VanDerWaalsContact O-CG 3.27Å; T123-N127 PolarHBondContact O-N 2.84Å; T123-N127 PolarHBondContact O-ND2 3.17Å; T123-N127 VanDerWaalsContact O-ND2 3.14Å; F124-N127 WeakPolarHBondContact O-CB 3.11Å; F124-N127 PolarHBondContact O-N 3.45Å; L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 PolarHBondContact O-N 2.72Å
128N90.6Very high94Very high85 Ų8578.9 Ų78.946%0.45539%0.388SS..Hα-helixtrans-78.5-34.1176.7-63.4-25.2000111.5K62 F124 L125 I126K62-N128 WeakPolarHBondContact CD-O 3.12Å; K62-N128 WeakPolarHBondContact CE-O 3.2Å; K62-N128 PolarHBondContact NZ-O 2.82Å; F124-N128 WeakPolarHBondContact CE1-ND2 3.41Å; F124-N128 PolarHBondContact O-N 2.98Å; F124-N128 PolarHBondContact O-ND2 3.09Å; L125-N128 WeakPolarHBondContact O-CB 3.47Å; L125-N128 PolarHBondContact O-N 3.21Å; L125-N128 VanDerWaalsContact O-N 3.08Å; I126-N128 PolarHBondContact O-N 2.84Å
129L92.1Very high93.9Very high50 Ų5085.8 Ų85.826%0.26241%0.413SS..Hα-helixtrans-71-31.3177.6-65.6176.6000113.2K62 N75 A78 L125 I126K62-L129 VanDerWaalsContact CE-O 3.3Å; K62-L129 WeakPolarHBondContact CE-O 3.25Å; K62-L129 PolarHBondContact NZ-O 2.88Å; N75-L129 HydrophobicContact CB-CB 3.94Å; N75-L129 HydrophobicContact CB-CD2 4.3Å; N75-L129 PolarHBondContact N-O 2.97Å; A78-L129 HydrophobicContact CB-CB 4.36Å; A78-L129 HydrophobicContact CB-CD1 4.41Å; L125-L129 HydrophobicContact CG-CD1 4.27Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.35Å; I126-L129 PolarHBondContact O-N 2.75Å; I126-L129 VanDerWaalsContact O-N 3.1Å
130L92.4Very high93.9Very high9 Ų986.1 Ų86.15%0.04741%0.407CS..SBendtrans-90.4153-178.6-63.9180000112.4K62 P74 A78 I79 Y90 I126 W134 R135K62-L130 VanDerWaalsContact NZ-C 3.32Å; K62-L130 PolarHBondContact NZ-O 3.41Å; P74-L130 HydrophobicContact CB-CD2 4.26Å; A78-L130 HydrophobicContact CB-CD2 4Å; I79-L130 HydrophobicContact CD1-CD2 4.48Å; I79-L130 HydrophobicContact CG1-CD2 3.72Å; Y90-L130 HydrophobicContact CE1-CD1 3.81Å; I126-L130 HydrophobicContact CG2-CD1 3.67Å; I126-L130 HydrophobicContact CG2-CG 4.03Å; I126-L130 WeakPolarHBondContact O-CG 3.47Å; I126-L130 PolarHBondContact O-N 2.88Å; L130-W134 HydrophobicContact CB-CB 4.24Å; L130-W134 HydrophobicContact CD1-CB 4.44Å; L130-W134 HydrophobicContact CD2-CB 4.35Å; L130-R135 HydrophobicContact CB-CG 4.37Å
131N91.3Very high93.9Very high18 Ų1881.3 Ų81.310%0.09640%0.403CS..  trans-85.9177.8174.475.715000111.1N72 Q133 W134 R135N72-N131 HydrophobicContact CB-CB 4.47Å; N72-N131 VanDerWaalsContact O-CB 3.24Å; N72-N131 WeakPolarHBondContact O-CB 3.03Å; N72-N131 PolarHBondContact O-ND2 3.17Å; N131-Q133 WeakPolarHBondContact OD1-CA 3.05Å; N131-Q133 WeakPolarHBondContact OD1-CB 3.41Å; N131-Q133 PolarHBondContact OD1-N 2.88Å; N131-W134 PolarHBondContact OD1-N 2.87Å; N131-R135 VanDerWaalsContact O-CG 3.29Å; N131-R135 WeakPolarHBondContact O-CG 3.34Å; N131-R135 PolarHBondContact O-NE 3.34Å
132K91.3Very high93.9Very high166 Ų16685.9 Ų85.972%0.72242%0.418SS*.Hα-helixtrans-62.8-41.1178.2-173.3178.7177.1-177.10112.4W134 R135 T136K132-W134 VanDerWaalsContact C-N 3.34Å; K132-W134 PolarHBondContact O-N 3.21Å; K132-R135 WeakPolarHBondContact O-CA 3.38Å; K132-R135 WeakPolarHBondContact O-CB 3.37Å; K132-R135 PolarHBondContact O-N 3.16Å; K132-T136 PolarHBondContact O-N 3.47Å; K132-T136 PolarHBondContact O-OG1 3.19Å
133Q92.3Very high93.8Very high138 Ų13884.6 Ų84.665%0.64541%0.409SS*.Hα-helixtrans-58.8-40-178.6-177.6-173-800113N131 R135 T136N131-Q133 WeakPolarHBondContact OD1-CA 3.05Å; N131-Q133 WeakPolarHBondContact OD1-CB 3.41Å; N131-Q133 PolarHBondContact OD1-N 2.88Å; Q133-R135 PolarHBondContact O-N 3.24Å; Q133-T136 PolarHBondContact O-N 3.05Å
134W93.4Very high93.8Very high88 Ų8889.7 Ų89.733%0.33344%0.435SS..Hα-helixtrans-72-17.3176.2-72.7102000113.8P74 I79 L130 N131 K132P74-W134 VanDerWaalsContact CB-CD1 3.43Å; P74-W134 HydrophobicContact CB-CG 4.38Å; P74-W134 VanDerWaalsContact CG-NE1 3.32Å; I79-W134 HydrophobicContact CD1-CD2 3.86Å; I79-W134 HydrophobicContact CD1-CE3 4.33Å; I79-W134 HydrophobicContact CD1-CG 4.36Å; I79-W134 HydrophobicContact CD1-CH2 4Å; I79-W134 HydrophobicContact CD1-CZ2 3.5Å; I79-W134 VanDerWaalsContact CD1-CZ2 3.5Å; I79-W134 HydrophobicContact CD1-CZ3 4.39Å; I79-W134 HydrophobicContact CG1-CD2 4Å; I79-W134 HydrophobicContact CG1-CE3 4.12Å; I79-W134 HydrophobicContact CG1-CG 4.49Å; I79-W134 HydrophobicContact CG1-CH2 4.36Å; I79-W134 HydrophobicContact CG1-CZ2 4.26Å; I79-W134 HydrophobicContact CG1-CZ3 4.29Å; I79-W134 HydrophobicContact CG2-CE3 4.24Å; I79-W134 HydrophobicContact CG2-CH2 3.66Å; I79-W134 HydrophobicContact CG2-CZ2 4.29Å; I79-W134 HydrophobicContact CG2-CZ3 3.63Å; L130-W134 HydrophobicContact CB-CB 4.24Å; L130-W134 HydrophobicContact CD1-CB 4.44Å; L130-W134 HydrophobicContact CD2-CB 4.35Å; N131-W134 PolarHBondContact OD1-N 2.87Å; K132-W134 VanDerWaalsContact C-N 3.34Å; K132-W134 PolarHBondContact O-N 3.21Å
135R93.7Very high93.9Very high97 Ų9785.1 Ų85.137%0.36641%0.414SS..Hα-helixtrans-91.1-18.3-179.5-65.1-170.5-72.5159.4-1.3113.1R84 L130 N131 K132 Q133R84-R135 PolarHBondContact NE-O 3.08Å; R84-R135 VanDerWaalsContact NE-O 3.13Å; R84-R135 PolarHBondContact NH2-O 3.35Å; L130-R135 HydrophobicContact CB-CG 4.37Å; N131-R135 VanDerWaalsContact O-CG 3.29Å; N131-R135 WeakPolarHBondContact O-CG 3.34Å; N131-R135 PolarHBondContact O-NE 3.34Å; K132-R135 WeakPolarHBondContact O-CA 3.38Å; K132-R135 WeakPolarHBondContact O-CB 3.37Å; K132-R135 PolarHBondContact O-N 3.16Å; Q133-R135 PolarHBondContact O-N 3.24Å
136T94.8Very high93.9Very high75 Ų7583.5 Ų83.546%0.4640%0.403SS..SBendtrans-61.5134176.1-54.50000110.6K132 Q133K132-T136 PolarHBondContact O-N 3.47Å; K132-T136 PolarHBondContact O-OG1 3.19Å; Q133-T136 PolarHBondContact O-N 3.05Å
137P95.3Very high93.9Very high72 Ų7288.1 Ų88.147%0.46843%0.434SS..  trans-62.1139.5176.227.3-35.3000110.8R86 Y139R86-P137 HydrophobicContact CG-CB 3.93Å; P137-Y139 HydrophobicContact CB-CE2 4.45Å
138K94Very high94Very high78 Ų7893.1 Ų93.134%0.33945%0.451SS..  trans-119.9151.6177.2-56.4-172.2-173.6177.90110.1R86 Y140R86-K138 PolarHBondContact NH2-O 2.99Å; K138-Y140 HydrophobicContact CB-CD2 4.23Å; K138-Y140 HydrophobicContact CB-CE2 3.64Å; K138-Y140 HydrophobicContact CD-CE2 3.93Å; K138-Y140 WeakPolarHBondContact CD-OH 3.44Å; K138-Y140 HydrophobicContact CG-CE2 4.43Å
139Y95.7Very high94.2Very high163 Ų16389.7 Ų89.764%0.63943%0.432SS*.  trans-126.4108179.8-61.2-95.6000106.9P137P137-Y139 HydrophobicContact CB-CE2 4.45Å
140Y95.6Very high94Very high124 Ų12494.4 Ų94.449%0.48645%0.452SS..  trans-110141.6-180-64.1-68000109.3K138 N142K138-Y140 HydrophobicContact CB-CD2 4.23Å; K138-Y140 HydrophobicContact CB-CE2 3.64Å; K138-Y140 HydrophobicContact CD-CE2 3.93Å; K138-Y140 WeakPolarHBondContact CD-OH 3.44Å; K138-Y140 HydrophobicContact CG-CE2 4.43Å; Y140-N142 PolarHBondContact O-N 3.45Å
141P96.4Very high93.9Very high115 Ų11599 Ų9975%0.74747%0.469SS*.THydrogen-bonded Turntrans-62.5135.3170.327.4-32.8000109.3D143P141-D143 PolarHBondContact O-N 3.35Å
142N95.7Very high93.6Very high165 Ų165103.4 Ų103.488%0.88250%0.497SS*.THydrogen-bonded Turntrans59.334177.4-51.7-38.7000115.5Y140 I144Y140-N142 PolarHBondContact O-N 3.45Å; N142-I144 PolarHBondContact O-N 3.27Å
143D94.2Very high93.2Very high27 Ų2798.3 Ų98.314%0.14449%0.491CS..  trans-69.8116.1173-167.6-8.5000111K83 P141 Y145 E146 H149K83-D143 IonicContact NZ-OD1 3.51Å; K83-D143 IonicContact NZ-OD2 2.74Å; K83-D143 PolarHBondContact NZ-OD2 3.18Å; P141-D143 PolarHBondContact O-N 3.35Å; D143-Y145 PolarHBondContact O-N 3.36Å; D143-Y145 VanDerWaalsContact O-N 3.09Å; D143-Y145 PolarHBondContact OD1-N 3.36Å; D143-E146 HydrophobicContact CB-CB 4.39Å; D143-E146 WeakPolarHBondContact O-CB 3.25Å; D143-E146 PolarHBondContact O-N 3.27Å; D143-E146 VanDerWaalsContact O-N 3.09Å; D143-H149 IonicContact OD2-CE1 3.59Å
144I95.7Very high92.7Very high129 Ų12993 Ų9366%0.66247%0.468SS*.THydrogen-bonded Turntrans-58.3-21.9175.564.7174.1000113N142N142-I144 PolarHBondContact O-N 3.27Å
145Y96.1Very high92Very high44 Ų4493.5 Ų93.517%0.17348%0.483CS..THydrogen-bonded Turntrans-92.8-2.6-179-64.7-72.1000114.3K83 I91 H115 D143 P147 Y148K83-Y145 HydrophobicContact CD-CD2 4.48Å; K83-Y145 HydrophobicContact CG-CD2 4.35Å; I91-Y145 HydrophobicContact CD1-CD1 3.93Å; I91-Y145 HydrophobicContact CD1-CE1 4.16Å; I91-Y145 HydrophobicContact CG2-CE1 4.5Å; H115-Y145 PolarHBondContact CE1-OH 2.97Å; H115-Y145 PolarHBondContact ND1-OH 3.09Å; D143-Y145 PolarHBondContact O-N 3.36Å; D143-Y145 VanDerWaalsContact O-N 3.09Å; D143-Y145 PolarHBondContact OD1-N 3.36Å; Y145-P147 VanDerWaalsContact C-CD 3.44Å; Y145-Y148 HydrophobicContact CD1-CD2 4.21Å; Y145-Y148 PolarHBondContact O-N 3.45Å
146E94.8Very high91.2Very high68 Ų6895.8 Ų95.832%0.31849%0.491SS..G310 helixtrans-53.4-43.3-173.4-171.562.9-172.700114.4R86 D143 Y148 H149R86-E146 IonicContact CZ-OE1 3.67Å; R86-E146 VanDerWaalsContact CZ-OE1 3.27Å; R86-E146 IonicContact CZ-OE2 3.51Å; R86-E146 IonicContact NH1-OE1 2.81Å; R86-E146 PolarHBondContact NH1-OE1 2.85Å; R86-E146 IonicContact NH1-OE2 3.59Å; R86-E146 VanDerWaalsContact NH2-CD 3.3Å; R86-E146 IonicContact NH2-OE1 3.77Å; R86-E146 PolarHBondContact NH2-OE1 3.14Å; R86-E146 IonicContact NH2-OE2 2.82Å; R86-E146 PolarHBondContact NH2-OE2 3.38Å; D143-E146 HydrophobicContact CB-CB 4.39Å; D143-E146 WeakPolarHBondContact O-CB 3.25Å; D143-E146 PolarHBondContact O-N 3.27Å; D143-E146 VanDerWaalsContact O-N 3.09Å; E146-Y148 PolarHBondContact O-N 3.43Å; E146-H149 WeakPolarHBondContact O-CB 3.33Å; E146-H149 PolarHBondContact O-N 3.32Å; E146-H149 IonicContact OE2-CE1 3.59Å; E146-H149 PolarHBondContact OE2-CE1 3.28Å; E146-H149 IonicContact OE2-ND1 2.84Å; E146-H149 PolarHBondContact OE2-ND1 3.18Å
147P93.8Very high90.3Very high100 Ų10094.1 Ų94.165%0.64948%0.48SS*.G310 helixtrans-61.3-26.6178.2-2435.5000114.1Y145 H149Y145-P147 VanDerWaalsContact C-CD 3.44Å; P147-H149 VanDerWaalsContact C-N 3.33Å
148Y94.9Very high88.8Confident145 Ų14599.5 Ų99.557%0.56949%0.492SS*.G310 helixtrans-86.8-2.7-176.3-53-73.5000113.6W87 Y145 E146 Q150W87-Y148 PolarHBondContact NE1-O 3Å; Y145-Y148 HydrophobicContact CD1-CD2 4.21Å; Y145-Y148 PolarHBondContact O-N 3.45Å; E146-Y148 PolarHBondContact O-N 3.43Å; Y148-Q150 VanDerWaalsContact C-N 3.28Å
149H94.6Very high87.6Confident12 Ų1299.3 Ų99.36%0.05651%0.512CS..G310 helixtrans-72.7-21.4177.3-74136.4000113.4R86 D143 E146 P147R86-H149 HydrophobicContact CB-CB 4.12Å; R86-H149 HydrophobicContact CG-CB 3.86Å; R86-H149 PolarHBondContact N-CD2 3.14Å; D143-H149 IonicContact OD2-CE1 3.59Å; E146-H149 WeakPolarHBondContact O-CB 3.33Å; E146-H149 PolarHBondContact O-N 3.32Å; E146-H149 IonicContact OE2-CE1 3.59Å; E146-H149 PolarHBondContact OE2-CE1 3.28Å; E146-H149 IonicContact OE2-ND1 2.84Å; E146-H149 PolarHBondContact OE2-ND1 3.18Å; P147-H149 VanDerWaalsContact C-N 3.33Å
150Q89.2Confident86.2Confident150 Ų15097.1 Ų97.170%0.70151%0.511SS*.SBendtrans-102.5142.6174.3-64-177.8-4.400109.9Y148Y148-Q150 VanDerWaalsContact C-N 3.28Å
151R88.5Confident84.8Confident106 Ų10698.2 Ų98.240%0.451%0.514SS..  trans-109.1106.9172.7-167.8-167.8-66.2-172.6-4.4108.1W87 V154 W156W87-R151 VanDerWaalsContact CH2-NH2 3.26Å; R151-V154 HydrophobicContact CG-CG1 3.86Å; R151-W156 VanDerWaalsContact NH1-CZ2 3.34Å
152T85.1Confident83.5Confident109 Ų109101.7 Ų101.767%0.66952%0.518SS*.  trans-94.4153.417653.80000110.2V154T152-V154 VanDerWaalsContact C-N 3.35Å; T152-V154 PolarHBondContact O-N 3.19Å
153G83.2Confident82.4Confident59 Ų5999.6 Ų99.661%0.60851%0.513SS*.SBendtrans76.116.2169.300000115.6D157G153-D157 PolarHBondContact N-OD2 3.19Å
154V83Confident81.5Confident27 Ų27105.4 Ų105.416%0.16454%0.537CS..  trans-78148.3167.9-77.20000111.3R151 T152 W156 D157R151-V154 HydrophobicContact CG-CG1 3.86Å; T152-V154 VanDerWaalsContact C-N 3.35Å; T152-V154 PolarHBondContact O-N 3.19Å; V154-W156 HydrophobicContact CB-CD2 3.92Å; V154-W156 HydrophobicContact CB-CE3 4.21Å; V154-W156 HydrophobicContact CB-CG 4.48Å; V154-W156 HydrophobicContact CB-CH2 4.2Å; V154-W156 HydrophobicContact CB-CZ2 3.91Å; V154-W156 HydrophobicContact CB-CZ3 4.33Å; V154-W156 HydrophobicContact CG1-CH2 4.04Å; V154-W156 HydrophobicContact CG1-CZ2 3.84Å; V154-W156 HydrophobicContact CG2-CD2 4.08Å; V154-W156 HydrophobicContact CG2-CG 4.21Å; V154-W156 HydrophobicContact CG2-CZ2 4.23Å; V154-W156 PolarHBondContact O-N 2.95Å; V154-D157 HydrophobicContact CG2-CB 3.84Å; V154-D157 WeakPolarHBondContact O-CB 3.19Å; V154-D157 PolarHBondContact O-N 3.31Å
155P78.7Confident80.8Confident98 Ų98108 Ų10864%0.63654%0.544SS*.THydrogen-bonded Turntrans-57.4-23.4-178.7-27.634.8000115.3
156W75.1Confident80.1Confident145 Ų145113.5 Ų113.555%0.54957%0.569SS.*THydrogen-bonded Turntrans-98.812.1176.161.286.8000113.3R151 V154 Y158R151-W156 VanDerWaalsContact NH1-CZ2 3.34Å; V154-W156 HydrophobicContact CB-CD2 3.92Å; V154-W156 HydrophobicContact CB-CE3 4.21Å; V154-W156 HydrophobicContact CB-CG 4.48Å; V154-W156 HydrophobicContact CB-CH2 4.2Å; V154-W156 HydrophobicContact CB-CZ2 3.91Å; V154-W156 HydrophobicContact CB-CZ3 4.33Å; V154-W156 HydrophobicContact CG1-CH2 4.04Å; V154-W156 HydrophobicContact CG1-CZ2 3.84Å; V154-W156 HydrophobicContact CG2-CD2 4.08Å; V154-W156 HydrophobicContact CG2-CG 4.21Å; V154-W156 HydrophobicContact CG2-CZ2 4.23Å; V154-W156 PolarHBondContact O-N 2.95Å; W156-Y158 VanDerWaalsContact C-N 3.3Å; W156-Y158 WeakPolarHBondContact O-CD2 3.45Å; W156-Y158 WeakPolarHBondContact O-CE2 3.49Å; W156-Y158 PolarHBondContact O-N 3.06Å
157D76Confident79.3Confident41 Ų41118.7 Ų118.722%0.21961%0.609CS.*  trans-73.688.5168.6-167.3-5.7000108.3G153 V154 G159 L160G153-D157 PolarHBondContact N-OD2 3.19Å; V154-D157 HydrophobicContact CG2-CB 3.84Å; V154-D157 WeakPolarHBondContact O-CB 3.19Å; V154-D157 PolarHBondContact O-N 3.31Å; D157-G159 PolarHBondContact O-N 3.01Å; D157-G159 PolarHBondContact OD1-N 2.94Å; D157-L160 HydrophobicContact CB-CD1 4.28Å; D157-L160 PolarHBondContact O-N 3.19Å; D157-L160 VanDerWaalsContact OD2-CD1 3.3Å; D157-L160 WeakPolarHBondContact OD2-CD1 3.49Å
158Y64.5Low78.6Confident185 Ų185119.7 Ų119.773%0.72561%0.607SS**THydrogen-bonded Turntrans-62.1-22.9-177-60.4-70.6000112.4W156 L160 R161W156-Y158 VanDerWaalsContact C-N 3.3Å; W156-Y158 WeakPolarHBondContact O-CD2 3.45Å; W156-Y158 WeakPolarHBondContact O-CE2 3.49Å; W156-Y158 PolarHBondContact O-N 3.06Å; Y158-L160 VanDerWaalsContact C-N 3.26Å; Y158-L160 PolarHBondContact O-N 2.99Å; Y158-R161 PolarHBondContact O-N 3.36Å
159G68.1Low77.7Confident74 Ų74118.3 Ų118.376%0.76361%0.609SS**THydrogen-bonded Turntrans-67.8-23.8178.300000113.9D157D157-G159 PolarHBondContact O-N 3.01Å; D157-G159 PolarHBondContact OD1-N 2.94Å
160L66.5Low76.8Confident116 Ų116124.2 Ų124.261%0.60764%0.639SS**THydrogen-bonded Turntrans-93.5-22178.3-65.3174.7000112.9D157 Y158 K162D157-L160 HydrophobicContact CB-CD1 4.28Å; D157-L160 PolarHBondContact O-N 3.19Å; D157-L160 VanDerWaalsContact OD2-CD1 3.3Å; D157-L160 WeakPolarHBondContact OD2-CD1 3.49Å; Y158-L160 VanDerWaalsContact C-N 3.26Å; Y158-L160 PolarHBondContact O-N 2.99Å; L160-K162 PolarHBondContact O-N 3.46Å
161R67Low76.1Confident147 Ų147122.7 Ų122.756%0.55564%0.636SS**SBendtrans-82.7101.6176.5-69.8178.268.8161.7-2.5108.4Y158Y158-R161 PolarHBondContact O-N 3.36Å
162K68.4Low75.3Confident189 Ų189123.8 Ų123.882%0.82265%0.65SS**  trans-48.1131.1159.7-66.4-173.8179.7-175.40107.2L160 K164L160-K162 PolarHBondContact O-N 3.46Å; K162-K164 PolarHBondContact O-N 2.82Å
163P72.5Confident74.6Confident121 Ų121124.7 Ų124.779%0.78665%0.649SS**  trans-52.8137.3174.423.1-32.2000107.7F165P163-F165 PolarHBondContact O-N 3.08Å
164K76Confident74Confident149 Ų149129.4 Ų129.465%0.64865%0.652SS**  trans-61.9111.5170.8-69.2-177.5177.2-173.80105.9K162 F166K162-K164 PolarHBondContact O-N 2.82Å; K164-F166 HydrophobicContact CB-CD2 4.43Å; K164-F166 HydrophobicContact CB-CE1 4.37Å; K164-F166 HydrophobicContact CB-CE2 3.89Å; K164-F166 HydrophobicContact CB-CZ 3.86Å; K164-F166 HydrophobicContact CD-CE1 4.46Å; K164-F166 HydrophobicContact CD-CZ 4.05Å; K164-F166 WeakPolarHBondContact O-CD2 3.39Å; K164-F166 PolarHBondContact O-N 3.21Å
165F80.5Confident73.3Confident184 Ų184137.3 Ų137.381%0.80769%0.69SS**  trans-67.9109.6165.4-178.7-96.2000105.9P163P163-F165 PolarHBondContact O-N 3.08Å
166F81Confident72.9Confident158 Ų158140.6 Ų140.669%0.69369%0.694SS**  trans-84.8131.7166.9-62.1-79.4000106.6K164K164-F166 HydrophobicContact CB-CD2 4.43Å; K164-F166 HydrophobicContact CB-CE1 4.37Å; K164-F166 HydrophobicContact CB-CE2 3.89Å; K164-F166 HydrophobicContact CB-CZ 3.86Å; K164-F166 HydrophobicContact CD-CE1 4.46Å; K164-F166 HydrophobicContact CD-CZ 4.05Å; K164-F166 WeakPolarHBondContact O-CD2 3.39Å; K164-F166 PolarHBondContact O-N 3.21Å
167P79.3Confident72.7Confident178 Ų178140.2 Ų140.2100%1.15671%0.707SS**  trans-60.20178.928.1-35.3000112.3

Retrieved 167 of 167 residues in 212.6 ms (Link to these results)