A0A5K4F6Y7_SCHMA Loading...

EGF-like domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F6Y7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 409 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.5Very low25.3Very low249 Ų249152 Ų152100%1.22779%0.786SS**  093.20-66-57.8-159.400107.7
2G26.7Very low25.3Very low70 Ų70151.4 Ų151.472%0.72278%0.777SS**  trans-93.6147.9178.200000111
3L22.6Very low25.4Very low146 Ų146154.8 Ų154.876%0.76478%0.776SS**  trans-173.786.2143.1-122.282.2000108.4Y5L3-Y5 HydrophobicContact CD1-CE2 4.33Å; L3-Y5 HydrophobicContact CD2-CD2 3.7Å; L3-Y5 HydrophobicContact CD2-CE2 3.76Å; L3-Y5 HydrophobicContact CG-CD2 3.65Å; L3-Y5 HydrophobicContact CG-CE2 3.76Å
4Y23.3Very low25.5Very low249 Ų249155.6 Ų155.698%0.97677%0.773SS**  trans-90.9114156.9-88.6-84.4000106.6
5Y24.4Very low25.6Very low144 Ų144154.5 Ų154.557%0.56577%0.769SS**  trans-120.1154-180-109.9-107000110.4L3L3-Y5 HydrophobicContact CD1-CE2 4.33Å; L3-Y5 HydrophobicContact CD2-CD2 3.7Å; L3-Y5 HydrophobicContact CD2-CE2 3.76Å; L3-Y5 HydrophobicContact CG-CD2 3.65Å; L3-Y5 HydrophobicContact CG-CE2 3.76Å
6L23.2Very low25.6Very low126 Ų126154.1 Ų154.166%0.6677%0.769SS**  trans69.478.6159-68.8151.6000117.3
7I27.2Very low25.6Very low160 Ų160151.8 Ų151.882%0.82176%0.759SS**  trans-112.9103.9132.1-63.1178.9000107.2C9I7-C9 HydrophobicContact CG2-CB 4.29Å
8C23.3Very low25.6Very low112 Ų112150.4 Ų150.476%0.75776%0.76SS**  trans-102.298.3171.3-169.20000106.5
9C25.4Very low25.8Very low102 Ų102146.3 Ų146.369%0.68974%0.739SS**  trans-118.1123.5177.8-86.40000110.5I7I7-C9 HydrophobicContact CG2-CB 4.29Å
10F24.9Very low25.9Very low187 Ų187148.6 Ų148.682%0.8275%0.747SS**  trans-57.2132.7161.9-74.3-120.5000108.9
11I27Very low26Very low127 Ų127145.9 Ų145.965%0.65173%0.734SS**  trans-130.6115.2153.8-51.5-178.4000107.6Y13I11-Y13 HydrophobicContact CB-CE2 4.39Å; I11-Y13 HydrophobicContact CG2-CD2 3.71Å; I11-Y13 HydrophobicContact CG2-CE2 3.3Å
12Q24.5Very low25.8Very low145 Ų145141.6 Ų141.668%0.67871%0.711SS**  trans-104.891.7-172.3-178.9170.3-15.700108.2F14Q12-F14 HydrophobicContact CG-CD2 4.29Å; Q12-F14 HydrophobicContact CG-CE2 4.04Å; Q12-F14 PolarHBondContact O-N 3.35Å
13Y27.7Very low25.9Very low195 Ų195141.2 Ų141.277%0.76569%0.694SS**  trans-87.3103.6175.5-78.5-67.8000110.6I11 I15I11-Y13 HydrophobicContact CB-CE2 4.39Å; I11-Y13 HydrophobicContact CG2-CD2 3.71Å; I11-Y13 HydrophobicContact CG2-CE2 3.3Å; Y13-I15 PolarHBondContact O-N 3.49Å
14F25.9Very low26.1Very low166 Ų166142 Ų14273%0.72870%0.698SS**  trans-71.1118.2160.1-76.7-97.1000108.4Q12Q12-F14 HydrophobicContact CG-CD2 4.29Å; Q12-F14 HydrophobicContact CG-CE2 4.04Å; Q12-F14 PolarHBondContact O-N 3.35Å
15I27.3Very low26.4Very low139 Ų139134.2 Ų134.271%0.71368%0.678SS**  trans-107.3107.8165.6-58.4179.8000106.9Y13 L17Y13-I15 PolarHBondContact O-N 3.49Å; I15-L17 HydrophobicContact CG2-CD1 4.04Å
16I26.1Very low26.5Very low149 Ų149132.5 Ų132.576%0.76469%0.687SS**  trans-86.6116172.6-60.3171.9000106.7
17L25.9Very low26.8Very low115 Ų115132.8 Ų132.860%0.60270%0.695SS**  trans-114.7112.4173.6-106.7146.5000109I15 M115I15-L17 HydrophobicContact CG2-CD1 4.04Å; L17-M115 HydrophobicContact CB-CE 4.07Å
18T25.4Very low27Very low126 Ų126132.2 Ų132.277%0.77369%0.692SS**  trans-91.3133.416838.90000109.4
19I28.3Very low27.3Very low73 Ų73135.5 Ų135.537%0.37470%0.696SS.*  trans-120.4141.9176.2-60.5-140000109.5C114 M115I19-C114 HydrophobicContact CD1-CB 4.33Å; I19-M115 HydrophobicContact CB-CB 4.26Å; I19-M115 WeakPolarHBondContact CB-O 3.26Å; I19-M115 HydrophobicContact CD1-CB 3.76Å; I19-M115 HydrophobicContact CG1-CB 3.92Å; I19-M115 HydrophobicContact CG1-CE 4.21Å; I19-M115 WeakPolarHBondContact CG2-O 3.44Å
20H28.1Very low27.5Very low191 Ų191139.3 Ų139.388%0.88471%0.708SS**  trans-103148.3173.1-102.1-96.8000110.5
21I29.3Very low27.7Very low92 Ų92135.5 Ų135.547%0.47271%0.705SS.*  trans-127.4128.7-178.7-59.4173.9000108.5Y116I21-Y116 WeakPolarHBondContact CD1-O 3.29Å
22E25.6Very low27.8Very low160 Ų160138.2 Ų138.275%0.74872%0.715SS**  trans-107.7151165.4-79.1-164.7127.400111.2L40E22-L40 HydrophobicContact CB-CD2 4.04Å; E22-L40 HydrophobicContact CG-CD2 3.97Å
23V27.6Very low28Very low62 Ų62140.2 Ų140.238%0.37672%0.724SS.*  trans-125.4124.6-1741800000108.8L40V23-L40 HydrophobicContact CB-CD2 4.4Å; V23-L40 HydrophobicContact CB-CG 4.35Å
24I28Very low28Very low163 Ų163140.1 Ų140.184%0.83673%0.731SS**  trans-116.4123.5178.1-56.5176.6000109.1
25C28.5Very low28.1Very low84 Ų84140.7 Ų140.757%0.56874%0.736SS**  trans-102.6140.5176.1-66.80000110.6
26S27.6Very low28.1Very low108 Ų108142 Ų14276%0.75574%0.739SS**  trans-99.6130.4175178.40000111.1
27T29.1Very low28.2Very low133 Ų133139.9 Ų139.982%0.81673%0.726SS**  trans-118.2112.5170.7580000110.4
28I32.3Very low28.2Very low147 Ų147141.6 Ų141.675%0.75474%0.735SS**  trans-132.3132.2166.4-63.5-178000107.8
29E28.7Very low28.3Very low182 Ų182146.2 Ų146.285%0.8574%0.739SS**  trans6473.6178.2-69.1-175.3-177.100118.6
30L29.7Very low28.3Very low181 Ų181147 Ų14795%0.94874%0.743SS**  trans-135.4129.5137.5-93.4176.9000110.5
31S29.1Very low28.2Very low107 Ų107140.7 Ų140.775%0.74872%0.724SS**  trans-96.2145.7179.854.10000111.6
32Q29.1Very low28.1Very low185 Ų185142.8 Ų142.886%0.86474%0.741SS**SBendtrans6358.3167.7-55.7-167.81.200118.5
33Q29Very low28.2Very low187 Ų187138.9 Ų138.987%0.87472%0.722SS**SBend179.9155123.7-98171.925.200110.3
34Q28Very low28.2Very low192 Ų192139.3 Ų139.390%0.89773%0.727SS**  trans69.7103.1179.5-63.1176.1-4500116.9
35Q27.6Very low28.2Very low179 Ų179134.7 Ų134.784%0.83670%0.704SS**  trans-74.7154.9152.2-63.8170.3-70.500109.8
36Q26.2Very low28.2Very low165 Ų165139 Ų13977%0.77171%0.714SS**  trans78146.2158.1-66.1172.7-5200120.8
37Q28.6Very low28.3Very low105 Ų105139.5 Ų139.549%0.49170%0.702SS.*  trans8999.5160-70.1175.5-87.100119.1
38D26.5Very low28.1Very low151 Ų151140.9 Ų140.981%0.80770%0.704SS**  trans-48.9149.2157.1-45-83.8000112.4
39R27.5Very low27.8Very low224 Ų224142 Ų14285%0.84571%0.705SS**  trans-136.3118.8173.9-59.3-171.1-166.3-161.75.1110.8
40L27.5Very low27.7Very low90 Ų90143.1 Ų143.147%0.47171%0.708SS.*  trans-94.7155.8168.8-76.395.9000111.6E22 V23E22-L40 HydrophobicContact CB-CD2 4.04Å; E22-L40 HydrophobicContact CG-CD2 3.97Å; V23-L40 HydrophobicContact CB-CD2 4.4Å; V23-L40 HydrophobicContact CB-CG 4.35Å
41A27.1Very low27.5Very low57 Ų57142.4 Ų142.447%0.47170%0.7SS.*  trans-122.4156.9173.100000110.6F43A41-F43 HydrophobicContact CB-CE2 3.99Å; A41-F43 HydrophobicContact CB-CZ 4.03Å
42T26.9Very low27.4Very low136 Ų136145.3 Ų145.383%0.83471%0.707SS**  trans-131.9145.2-170.2-37.90000112.5
43F28.2Very low27.3Very low78 Ų78144.8 Ų144.834%0.34270%0.704SS.*  trans-149.2149.4-169-51.9-82.2000109.4A41 L88 G117 E118 V119A41-F43 HydrophobicContact CB-CE2 3.99Å; A41-F43 HydrophobicContact CB-CZ 4.03Å; F43-L88 HydrophobicContact CE1-CD2 4.31Å; F43-L88 HydrophobicContact CE2-CD2 4.19Å; F43-L88 HydrophobicContact CZ-CD2 3.77Å; F43-G117 VanDerWaalsContact CB-C 3.43Å; F43-G117 VanDerWaalsContact CB-CA 3.43Å; F43-E118 WeakPolarHBondContact CA-O 3.43Å; F43-E118 VanDerWaalsContact CB-O 3.25Å; F43-E118 WeakPolarHBondContact CB-O 3.16Å; F43-E118 WeakPolarHBondContact CD1-O 3.48Å; F43-V119 HydrophobicContact CD1-CG2 3.76Å; F43-V119 HydrophobicContact CE1-CG2 3.88Å
44S27.3Very low27.1Very low71 Ų71140.5 Ų140.550%0.49770%0.7SS.*  trans-107.3-151.7-170.3153.50000114.9G117 E118S44-G117 CarbonylContact O-C 3.51Å; S44-G117 WeakPolarHBondContact O-CA 3.38Å; S44-G117 PolarHBondContact O-N 2.79Å; S44-E118 VanDerWaalsContact C-CB 3.47Å; S44-E118 WeakPolarHBondContact CB-OE2 3.03Å; S44-E118 VanDerWaalsContact N-CB 3.32Å; S44-E118 PolarHBondContact O-N 3.13Å; S44-E118 PolarHBondContact OG-OE2 3.35Å
45L28.3Very low27.1Very low67 Ų67140 Ų14035%0.35170%0.698SS.*  trans-177.4165.4142.9-109.8168.4000116.2F47 Y116 E118L45-F47 HydrophobicContact CB-CE2 4.15Å; L45-F47 HydrophobicContact CD1-CZ 4.37Å; L45-F47 HydrophobicContact CD2-CZ 4.39Å; L45-Y116 HydrophobicContact CB-CG 4.28Å; L45-Y116 HydrophobicContact CD1-CD1 3.31Å; L45-Y116 HydrophobicContact CD1-CE1 4.14Å; L45-Y116 HydrophobicContact CD1-CG 3.74Å; L45-E118 VanDerWaalsContact CA-CD 3.44Å; L45-E118 VanDerWaalsContact CA-OE1 3.27Å; L45-E118 WeakPolarHBondContact CA-OE1 3.35Å; L45-E118 HydrophobicContact CD2-CG 3.94Å; L45-E118 HydrophobicContact CG-CB 4.11Å; L45-E118 HydrophobicContact CG-CG 4.01Å
46K27.4Very low27.1Very low175 Ų175140.3 Ų140.376%0.76169%0.691SS**  trans-143.8135.9-178.8-153.5170-170.4173.10116.2E118K46-E118 PolarHBondContact N-OE1 3.41Å
47F29.6Very low27.3Very low118 Ų118139.3 Ų139.352%0.51868%0.68SS.*  trans-122.7151.6-179-65.3-80.3000113.2L45 Y116L45-F47 HydrophobicContact CB-CE2 4.15Å; L45-F47 HydrophobicContact CD1-CZ 4.37Å; L45-F47 HydrophobicContact CD2-CZ 4.39Å; F47-Y116 HydrophobicContact CD2-CE2 4.16Å; F47-Y116 HydrophobicContact CE1-CE1 4.1Å; F47-Y116 HydrophobicContact CE1-CE2 4.46Å; F47-Y116 AromaticContact CE1-CZ 3.79Å; F47-Y116 WeakPolarHBondContact CE1-OH 3.15Å; F47-Y116 HydrophobicContact CE2-CD1 4.22Å; F47-Y116 AromaticContact CE2-CD2 3.7Å; F47-Y116 HydrophobicContact CE2-CD2 3.7Å; F47-Y116 AromaticContact CE2-CE1 3.87Å; F47-Y116 HydrophobicContact CE2-CE1 3.87Å; F47-Y116 AromaticContact CE2-CE2 3.29Å; F47-Y116 HydrophobicContact CE2-CE2 3.29Å; F47-Y116 HydrophobicContact CE2-CG 4.17Å; F47-Y116 AromaticContact CE2-CZ 3.41Å; F47-Y116 VanDerWaalsContact CE2-CZ 3.41Å; F47-Y116 AromaticContact CZ-CD1 3.88Å; F47-Y116 HydrophobicContact CZ-CD1 3.88Å; F47-Y116 HydrophobicContact CZ-CD2 4.12Å; F47-Y116 AromaticContact CZ-CE1 3.25Å; F47-Y116 HydrophobicContact CZ-CE1 3.25Å; F47-Y116 AromaticContact CZ-CE2 3.52Å; F47-Y116 HydrophobicContact CZ-CE2 3.52Å; F47-Y116 HydrophobicContact CZ-CG 4.3Å; F47-Y116 AromaticContact CZ-CZ 3.06Å; F47-Y116 VanDerWaalsContact CZ-OH 3.26Å; F47-Y116 WeakPolarHBondContact CZ-OH 3.36Å
48L26Very low27.6Very low161 Ų161142.9 Ų142.984%0.84370%0.703SS**  trans-134.3123.6-177.6-84.5156.2000111.7
49E25Very low28.1Very low170 Ų170140.7 Ų140.779%0.79469%0.691SS**  trans30.9137.2166.2-66.2-172.6131.800123
50F26.4Very low28.2Very low206 Ų206131.7 Ų131.790%0.90467%0.668SS**  trans-113.6137.2169.7-74.2-97.3000111.3
51H26.7Very low28.4Very low167 Ų167128.8 Ų128.877%0.77366%0.655SS**  trans-116.5140.3170.6-79.7-61.9000112
52N26.1Very low28.4Very low168 Ų168132.2 Ų132.290%0.89867%0.674SS**  trans-136.1118.3173.9-147.6-10.1000109.2
53H27.1Very low28.4Very low173 Ų173128.9 Ų128.980%0.80166%0.656SS**  trans-102.1119.6-174.4-102.9-92.5000111.5
54A25.9Very low28.3Very low97 Ų97128.9 Ų128.980%0.80268%0.678SS**  trans-111.3145.5171.700000111.2
55H28.4Very low28.1Very low182 Ų182136.9 Ų136.984%0.84370%0.697SS**  trans-128144.4178.2-121.4-85000112.1
56R26.5Very low28Very low185 Ų185139.4 Ų139.470%0.69872%0.718SS**  trans-99.1148.4-169.1-161.3-179.2-172.3-171.33.1112.2
57R30.8Very low27.8Very low144 Ų144140.9 Ų140.954%0.54372%0.724SS.*  trans-99.2159.2168.6-75.2-170.2179.21801.2112.5D59 G60 C63R57-D59 WeakPolarHBondContact CB-OD1 3.37Å; R57-D59 PolarHBondContact O-N 2.85Å; R57-G60 PolarHBondContact O-N 2.9Å; R57-C63 HydrophobicContact CG-CB 4.45Å; R57-C63 PolarHBondContact NH1-SG 3.08Å; R57-C63 VanDerWaalsContact NH1-SG 3.37Å
58N34.9Very low27.6Very low181 Ų181144.9 Ų144.997%0.96875%0.745SS**THydrogen-bonded Turntrans-72-5.6-175.5-73.9-5.4000115.2
59D36.2Very low27.5Very low104 Ų104141.9 Ų141.956%0.55674%0.737SS**THydrogen-bonded Turntrans-95.50.717963.2-15.3000113.1R57 S61R57-D59 WeakPolarHBondContact CB-OD1 3.37Å; R57-D59 PolarHBondContact O-N 2.85Å; D59-S61 PolarHBondContact O-N 2.89Å; D59-S61 PolarHBondContact OD1-N 2.95Å; D59-S61 PolarHBondContact OD1-OG 3.27Å; D59-S61 WeakPolarHBondContact OD2-CB 3.37Å; D59-S61 PolarHBondContact OD2-OG 2.82Å
60G30.6Very low27.4Very low35 Ų35139.8 Ų139.836%0.36174%0.742SS.*SBendtrans74.11.2-174.400000114.3R57R57-G60 PolarHBondContact O-N 2.9Å
61S31.5Very low27.3Very low29 Ų29135.3 Ų135.320%0.20374%0.736CS.*  trans-90.4137.5176.186.90000111.2D59D59-S61 PolarHBondContact O-N 2.89Å; D59-S61 PolarHBondContact OD1-N 2.95Å; D59-S61 PolarHBondContact OD1-OG 3.27Å; D59-S61 WeakPolarHBondContact OD2-CB 3.37Å; D59-S61 PolarHBondContact OD2-OG 2.82Å
62C27Very low27.3Very low129 Ų129132.6 Ų132.687%0.87274%0.735SS**  trans-81.6117.6170.1-71.60000108.6
63C25.8Very low27.4Very low66 Ų66130.7 Ų130.745%0.44673%0.73SS.*  trans-129.2114.8-175-149.60000110R57R57-C63 HydrophobicContact CG-CB 4.45Å; R57-C63 PolarHBondContact NH1-SG 3.08Å; R57-C63 VanDerWaalsContact NH1-SG 3.37Å
64G26.5Very low27.3Very low79 Ų79128.4 Ų128.481%0.81473%0.729SS**  trans-164.352.9-171.400000115.1
65R24Very low27.5Very low238 Ų238128.7 Ų128.790%0.89872%0.715SS**  trans-68.7157.4169.5-100.1-176179.3172.20.2111.7
66P26.5Very low27.5Very low121 Ų121128.2 Ų128.279%0.78671%0.711SS**  trans-76.1152.6-159.931.1-37.6000113.8
67K22.6Very low27.6Very low205 Ų205124 Ų12489%0.89171%0.706SS**  trans-136.6135.5158.8-84.3-165.2171.9-1740111.5S69K67-S69 PolarHBondContact O-N 3.22Å
68Q25.5Very low27.5Very low202 Ų202122.6 Ų122.694%0.94471%0.705SS**  trans-67.7119.3174.9-63.6163.9-2200110.1
69S23.3Very low27.2Very low99 Ų99117.5 Ų117.569%0.69268%0.681SS**  trans-159116.8152.2590000110.4K67 S71K67-S69 PolarHBondContact O-N 3.22Å; S69-S71 PolarHBondContact O-N 3.31Å
70S23.1Very low26.9Very low126 Ų126115 Ų11588%0.88167%0.665SS**  trans-15.1112.1158.551.80000116.1
71S25.1Very low26.8Very low111 Ų111118.5 Ų118.578%0.77668%0.675SS**  trans-139.6117.5153.750.30000109.2S69S69-S71 PolarHBondContact O-N 3.31Å
72S25.1Very low26.5Very low110 Ų110126.5 Ų126.577%0.76970%0.702SS**  trans-90.8107.817652.50000109.4T74S72-T74 PolarHBondContact O-N 3.23Å
73T28.2Very low26.4Very low129 Ų129130.2 Ų130.279%0.79170%0.703SS**PPolyproline II helixtrans-70.7126.5169.8-52.70000108.9
74T26.4Very low26.5Very low125 Ų125130.9 Ų130.977%0.76771%0.714SS**PPolyproline II helixtrans-103.6118.7-177.4-46.60000109.3S72S72-T74 PolarHBondContact O-N 3.23Å
75I29.2Very low26.4Very low102 Ų102136.9 Ų136.952%0.52372%0.721SS.*PPolyproline II helixtrans-93.7131.9173.4-57.4174.4000107.7V77 I100I75-V77 HydrophobicContact CG2-CG2 4.19Å; I75-I100 HydrophobicContact CD1-CD1 4.25Å
76K28.1Very low26.4Very low172 Ų172130.2 Ų130.275%0.74871%0.71SS**  trans-104.4125.9176.1-155-169.9-177.4-142.20108.9E78K76-E78 WeakPolarHBondContact CE-OE1 3.41Å; K76-E78 IonicContact NZ-OE1 3.17Å; K76-E78 PolarHBondContact NZ-OE1 3.16Å
77V30.1Very low26.4Very low97 Ų97129.4 Ų129.459%0.58871%0.713SS**  trans-123.7137177.8-175.90000107.2I75 T79I75-V77 HydrophobicContact CG2-CG2 4.19Å; V77-T79 HydrophobicContact CG1-CG2 4.33Å
78E28.3Very low26.6Very low115 Ų115123.5 Ų123.554%0.53769%0.691SS.*  trans-115.2126.4-178-64.6-175.9164.600109.7K76 T121K76-E78 WeakPolarHBondContact CE-OE1 3.41Å; K76-E78 IonicContact NZ-OE1 3.17Å; K76-E78 PolarHBondContact NZ-OE1 3.16Å; E78-T121 HydrophobicContact CB-CG2 4.33Å; E78-T121 PolarHBondContact O-OG1 2.82Å
79T28.9Very low26.6Very low73 Ų73118.6 Ų118.645%0.44867%0.668SS.*  trans-114.4117.9-177.2155.20000120.2V77 V119 T121V77-T79 HydrophobicContact CG1-CG2 4.33Å; T79-V119 HydrophobicContact CG2-CB 3.97Å; T79-V119 HydrophobicContact CG2-CG1 4.38Å; T79-V119 WeakPolarHBondContact OG1-CG1 3.46Å; T79-T121 VanDerWaalsContact C-CG2 3.49Å; T79-T121 WeakPolarHBondContact CA-OG1 3.08Å; T79-T121 PolarHBondContact N-OG1 2.92Å; T79-T121 WeakPolarHBondContact O-CG2 3.31Å
80E28.1Very low26.8Very low51 Ų51119.6 Ų119.624%0.23866%0.66CS.*  trans-125.3146.7155.891.9-162.9113.400112.9Y82 V119 Y120 T121 G122E80-Y82 WeakPolarHBondContact OE2-CE2 3.21Å; E80-V119 WeakPolarHBondContact O-CG1 3.46Å; E80-Y120 CarbonylContact C-O 3.56Å; E80-Y120 VanDerWaalsContact CA-O 3.25Å; E80-Y120 WeakPolarHBondContact CA-O 3.04Å; E80-Y120 VanDerWaalsContact CG-O 3.32Å; E80-Y120 WeakPolarHBondContact CG-O 2.99Å; E80-Y120 PolarHBondContact N-O 3.29Å; E80-T121 HydrophobicContact CB-CG2 4.23Å; E80-T121 PolarHBondContact N-OG1 2.92Å; E80-T121 VanDerWaalsContact OE1-CA 3.23Å; E80-T121 WeakPolarHBondContact OE1-CA 3.38Å; E80-T121 PolarHBondContact OE1-N 2.78Å; E80-G122 WeakPolarHBondContact OE1-CA 3.1Å; E80-G122 PolarHBondContact OE1-N 3.48Å; E80-G122 WeakPolarHBondContact OE2-CA 3.41Å; E80-G122 PolarHBondContact OE2-N 2.03Å
81I28.4Very low27Very low109 Ų109118 Ų11856%0.55964%0.635SS**  trans-137.1117.2179.7-58.9171.4000108.5L88 V119I81-L88 HydrophobicContact CD1-CD1 3.91Å; I81-V119 HydrophobicContact CG1-CG1 3.84Å
82Y27.1Very low27.1Very low197 Ų197115.9 Ų115.977%0.77361%0.614SS**  trans-93.5100.8169.5-95.5-93.4000110.4E80E80-Y82 WeakPolarHBondContact OE2-CE2 3.21Å
83K25.1Very low27.3Very low207 Ų207112.6 Ų112.690%0.959%0.59SS**SBendtrans36.487.6164.1-72.5-173171.3-174.70117.4
84A26.4Very low27.3Very low81 Ų81110.1 Ų110.167%0.66957%0.571SS**  trans-146.9138.3152.200000110.4C86A84-C86 PolarHBondContact O-N 3.27Å; A84-C86 VanDerWaalsContact O-N 3.15Å
85E25.6Very low27.2Very low204 Ų204112.7 Ų112.795%0.95358%0.575SS**  trans-83.782.1177.4-68177.2155.400110.5
86C24.2Very low27Very low99 Ų99113.3 Ų113.367%0.66958%0.584SS**  trans-145.5136.6167.2-83.50000108.8A84 L88A84-C86 PolarHBondContact O-N 3.27Å; A84-C86 VanDerWaalsContact O-N 3.15Å; C86-L88 PolarHBondContact O-N 2.8Å
87A26.3Very low27Very low104 Ų104116.1 Ų116.186%0.8659%0.591SS**  trans-78.8120.2176.600000110.3
88L25.8Very low26.9Very low80 Ų80116.3 Ų116.342%0.41959%0.593SS.*  trans-87122174.4-84.7158.3000110.8F43 I81 C86 V119F43-L88 HydrophobicContact CE1-CD2 4.31Å; F43-L88 HydrophobicContact CE2-CD2 4.19Å; F43-L88 HydrophobicContact CZ-CD2 3.77Å; I81-L88 HydrophobicContact CD1-CD1 3.91Å; C86-L88 PolarHBondContact O-N 2.8Å; L88-V119 HydrophobicContact CD1-CG2 4.43Å
89E26.6Very low26.8Very low99 Ų99117.8 Ų117.846%0.46361%0.609SS.*  trans-120.6140.7158.8-75.1-172.9169.500108.5K108 Y110E89-K108 HydrophobicContact CG-CB 4.49Å; E89-K108 WeakPolarHBondContact OE1-CB 3.13Å; E89-K108 WeakPolarHBondContact OE1-CD 3.05Å; E89-Y110 WeakPolarHBondContact OE2-CD2 3.18Å
90F26.2Very low26.9Very low120 Ų120119 Ų11953%0.52661%0.612SS.*  trans-136.2149.3177.849.6-98.8000110.7
91R27.8Very low27Very low94 Ų94127.6 Ų127.636%0.35564%0.642SS.*  trans-126132.7-176.8-126.5-178.6-176.1-173.87.8110.5Y110 N111 G112R91-Y110 WeakPolarHBondContact CG-O 3.41Å; R91-N111 VanDerWaalsContact NH2-C 3.34Å; R91-N111 PolarHBondContact NH2-O 2.92Å; R91-G112 WeakPolarHBondContact CD-O 3.16Å; R91-G112 VanDerWaalsContact CG-O 3.3Å; R91-G112 WeakPolarHBondContact CG-O 3.18Å; R91-G112 VanDerWaalsContact NE-N 3.18Å; R91-G112 PolarHBondContact NE-O 3.47Å
92I27.7Very low27.2Very low66 Ų66126.8 Ų126.834%0.33864%0.638SS.*  trans-126.3135173.3-56.1171.3000105.8Y116I92-Y116 HydrophobicContact CB-CE1 4.16Å; I92-Y116 HydrophobicContact CD1-CD1 4.36Å; I92-Y116 HydrophobicContact CD1-CE1 3.86Å; I92-Y116 HydrophobicContact CG1-CD1 3.99Å; I92-Y116 HydrophobicContact CG1-CE1 3.64Å; I92-Y116 HydrophobicContact CG2-CE1 3.56Å
93C28.4Very low27.5Very low40 Ų40125.3 Ų125.327%0.2764%0.643SS.*  trans-130.9160.8156.8-80.70000110.3G112 P113 C114C93-G112 PolarHBondContact SG-O 2.78Å; C93-P113 HydrophobicContact CB-CB 4.44Å; C93-C114 PolarHBondContact O-SG 2.63Å
94I28.5Very low27.9Very low77 Ų77118.8 Ų118.840%0.39562%0.623SS.*  trans-127.4126.9177.2-54.7173.5000103.4I100I94-I100 HydrophobicContact CD1-CD1 4.17Å
95E24.8Very low28.2Very low180 Ų180121.6 Ų121.684%0.84163%0.627SS**SBendtrans-67.8137168.3-63.6-170.7157.900108.5
96T25Very low28.5Very low115 Ų115119.9 Ų119.971%0.70662%0.624SS**SBendtrans93.1142.8-172.176.80000117.8T98T96-T98 PolarHBondContact O-N 3Å
97Y27.3Very low28.9Very low231 Ų231118.2 Ų118.291%0.90661%0.612SS**SBendtrans-52.385.6-165.7-54-95.7000117.2
98T27.6Very low29.1Very low101 Ų101121.3 Ų121.362%0.6261%0.606SS**  trans-142.4142.1163.245.90000113.2T96T96-T98 PolarHBondContact O-N 3Å
99T27.8Very low29.2Very low145 Ų145122.6 Ų122.689%0.8961%0.612SS**  trans-100.6118.8169.641.30000109.9
100I29.8Very low29.2Very low100 Ų100124.9 Ų124.951%0.51362%0.617SS.*  trans-88.6126.5175.9-60.2175.2000108.9I75 I94 I102I75-I100 HydrophobicContact CD1-CD1 4.25Å; I94-I100 HydrophobicContact CD1-CD1 4.17Å; I100-I102 HydrophobicContact CG2-CG1 4.26Å
101R31.4Very low29.3Very low230 Ų230125.8 Ų125.887%0.86863%0.628SS**  trans-101.5103.5174.7-126.1-177.7-174.81751.8109.2L103R101-L103 PolarHBondContact O-N 2.71Å
102I32.6Very low29.3Very low92 Ų92122.1 Ų122.147%0.47262%0.619SS.*  trans-80.4112.4173.8-56.5176.6000108.1I100I100-I102 HydrophobicContact CG2-CG1 4.26Å
103L31.8Very low29.2Very low167 Ų167122.5 Ų122.587%0.87463%0.626SS**  trans-100.988.6172-70.4169.1000108.4R101R101-L103 PolarHBondContact O-N 2.71Å
104S34.8Very low28.9Very low69 Ų69123.3 Ų123.348%0.48363%0.631SS.*  trans-142.8135.6174.4-175.90000110.7N106S104-N106 PolarHBondContact O-N 2.85Å; S104-N106 VanDerWaalsContact O-N 3.12Å
105N31.6Very low28.6Very low141 Ų141121.3 Ų121.375%0.75462%0.62SS**THydrogen-bonded Turntrans-77.911-168.5-79.3-15.7000115
106N33.3Very low28.6Very low167 Ų167115.1 Ų115.189%0.89359%0.59SS**THydrogen-bonded Turntrans-154.623-175.6-104.7-15.5000115.7S104S104-N106 PolarHBondContact O-N 2.85Å; S104-N106 VanDerWaalsContact O-N 3.12Å
107T32.1Very low28.5Very low65 Ų65110.7 Ų110.740%0.39957%0.567SS.*  trans-117.4127-174.750.70000113.6
108K29.8Very low28.4Very low169 Ų169102.5 Ų102.574%0.73554%0.537SS*.  trans-65.5153.8162.7-70.5-176.8177.9179.90110.4E89E89-K108 HydrophobicContact CG-CB 4.49Å; E89-K108 WeakPolarHBondContact OE1-CB 3.13Å; E89-K108 WeakPolarHBondContact OE1-CD 3.05Å
109I28.7Very low28.4Very low106 Ų10698.9 Ų98.954%0.54451%0.514SS..  trans-123.6127.9-174.7-58.5174.6000109.5
110Y26.6Very low28.2Very low147 Ų147100.7 Ų100.758%0.57651%0.506SS*.  trans-129.1123.3173.8-122.7-78.9000110.8E89 R91E89-Y110 WeakPolarHBondContact OE2-CD2 3.18Å; R91-Y110 WeakPolarHBondContact CG-O 3.41Å
111N28.3Very low28.1Very low140 Ų14099.2 Ų99.275%0.74950%0.502SS*.  trans-103.2117.2-172.6-70-39.5000111.8R91R91-N111 VanDerWaalsContact NH2-C 3.34Å; R91-N111 PolarHBondContact NH2-O 2.92Å
112G27.4Very low27.8Very low16 Ų1690 Ų9017%0.16548%0.479CS..SBendtrans153172.8175.900000114.3R91 C93R91-G112 WeakPolarHBondContact CD-O 3.16Å; R91-G112 VanDerWaalsContact CG-O 3.3Å; R91-G112 WeakPolarHBondContact CG-O 3.18Å; R91-G112 VanDerWaalsContact NE-N 3.18Å; R91-G112 PolarHBondContact NE-O 3.47Å; C93-G112 PolarHBondContact SG-O 2.78Å
113P25.2Very low27.5Very low75 Ų7593.1 Ų93.149%0.48749%0.491SS..SBendtrans-74.3125.8-150.226.3-34.5000115.7C93 I389C93-P113 HydrophobicContact CB-CB 4.44Å; P113-I389 HydrophobicContact CG-CD1 4.4Å
114C21.8Very low27.1Very low57 Ų5797.2 Ų97.239%0.38550%0.495SS..  trans50.5149.1149-540000122I19 C93I19-C114 HydrophobicContact CD1-CB 4.33Å; C93-C114 PolarHBondContact O-SG 2.63Å
115M23.6Very low26.7Very low34 Ų3496.8 Ų96.817%0.16750%0.501CS..  cis-159.7140.3-17.1-111.4160.855.900110.5L17 I19L17-M115 HydrophobicContact CB-CE 4.07Å; I19-M115 HydrophobicContact CB-CB 4.26Å; I19-M115 WeakPolarHBondContact CB-O 3.26Å; I19-M115 HydrophobicContact CD1-CB 3.76Å; I19-M115 HydrophobicContact CG1-CB 3.92Å; I19-M115 HydrophobicContact CG1-CE 4.21Å; I19-M115 WeakPolarHBondContact CG2-O 3.44Å
116Y23.1Very low26.4Very low51 Ų5197.1 Ų97.120%0.250%0.503CS..  trans63116.5144.6-57.5-30.7000124.7I21 L45 F47 I92I21-Y116 WeakPolarHBondContact CD1-O 3.29Å; L45-Y116 HydrophobicContact CB-CG 4.28Å; L45-Y116 HydrophobicContact CD1-CD1 3.31Å; L45-Y116 HydrophobicContact CD1-CE1 4.14Å; L45-Y116 HydrophobicContact CD1-CG 3.74Å; F47-Y116 HydrophobicContact CD2-CE2 4.16Å; F47-Y116 HydrophobicContact CE1-CE1 4.1Å; F47-Y116 HydrophobicContact CE1-CE2 4.46Å; F47-Y116 AromaticContact CE1-CZ 3.79Å; F47-Y116 WeakPolarHBondContact CE1-OH 3.15Å; F47-Y116 HydrophobicContact CE2-CD1 4.22Å; F47-Y116 AromaticContact CE2-CD2 3.7Å; F47-Y116 HydrophobicContact CE2-CD2 3.7Å; F47-Y116 AromaticContact CE2-CE1 3.87Å; F47-Y116 HydrophobicContact CE2-CE1 3.87Å; F47-Y116 AromaticContact CE2-CE2 3.29Å; F47-Y116 HydrophobicContact CE2-CE2 3.29Å; F47-Y116 HydrophobicContact CE2-CG 4.17Å; F47-Y116 AromaticContact CE2-CZ 3.41Å; F47-Y116 VanDerWaalsContact CE2-CZ 3.41Å; F47-Y116 AromaticContact CZ-CD1 3.88Å; F47-Y116 HydrophobicContact CZ-CD1 3.88Å; F47-Y116 HydrophobicContact CZ-CD2 4.12Å; F47-Y116 AromaticContact CZ-CE1 3.25Å; F47-Y116 HydrophobicContact CZ-CE1 3.25Å; F47-Y116 AromaticContact CZ-CE2 3.52Å; F47-Y116 HydrophobicContact CZ-CE2 3.52Å; F47-Y116 HydrophobicContact CZ-CG 4.3Å; F47-Y116 AromaticContact CZ-CZ 3.06Å; F47-Y116 VanDerWaalsContact CZ-OH 3.26Å; F47-Y116 WeakPolarHBondContact CZ-OH 3.36Å; I92-Y116 HydrophobicContact CB-CE1 4.16Å; I92-Y116 HydrophobicContact CD1-CD1 4.36Å; I92-Y116 HydrophobicContact CD1-CE1 3.86Å; I92-Y116 HydrophobicContact CG1-CD1 3.99Å; I92-Y116 HydrophobicContact CG1-CE1 3.64Å; I92-Y116 HydrophobicContact CG2-CE1 3.56Å
117G24.5Very low26.2Very low22 Ų2295.6 Ų95.623%0.22750%0.5CS..  trans-154.2130.1160.100000111.8F43 S44F43-G117 VanDerWaalsContact CB-C 3.43Å; F43-G117 VanDerWaalsContact CB-CA 3.43Å; S44-G117 CarbonylContact O-C 3.51Å; S44-G117 WeakPolarHBondContact O-CA 3.38Å; S44-G117 PolarHBondContact O-N 2.79Å
118E24.7Very low25.9Very low58 Ų5899.8 Ų99.827%0.27152%0.52SS..  trans-87131.1-179.6-134160.3-141.900113.4F43 S44 L45 K46F43-E118 WeakPolarHBondContact CA-O 3.43Å; F43-E118 VanDerWaalsContact CB-O 3.25Å; F43-E118 WeakPolarHBondContact CB-O 3.16Å; F43-E118 WeakPolarHBondContact CD1-O 3.48Å; S44-E118 VanDerWaalsContact C-CB 3.47Å; S44-E118 WeakPolarHBondContact CB-OE2 3.03Å; S44-E118 VanDerWaalsContact N-CB 3.32Å; S44-E118 PolarHBondContact O-N 3.13Å; S44-E118 PolarHBondContact OG-OE2 3.35Å; L45-E118 VanDerWaalsContact CA-CD 3.44Å; L45-E118 VanDerWaalsContact CA-OE1 3.27Å; L45-E118 WeakPolarHBondContact CA-OE1 3.35Å; L45-E118 HydrophobicContact CD2-CG 3.94Å; L45-E118 HydrophobicContact CG-CB 4.11Å; L45-E118 HydrophobicContact CG-CG 4.01Å; K46-E118 PolarHBondContact N-OE1 3.41Å
119V26.8Very low25.8Very low25 Ų2599.8 Ų99.815%0.15253%0.526CS..  trans-106.5127.61701770000107F43 T79 E80 I81 L88F43-V119 HydrophobicContact CD1-CG2 3.76Å; F43-V119 HydrophobicContact CE1-CG2 3.88Å; T79-V119 HydrophobicContact CG2-CB 3.97Å; T79-V119 HydrophobicContact CG2-CG1 4.38Å; T79-V119 WeakPolarHBondContact OG1-CG1 3.46Å; E80-V119 WeakPolarHBondContact O-CG1 3.46Å; I81-V119 HydrophobicContact CG1-CG1 3.84Å; L88-V119 HydrophobicContact CD1-CG2 4.43Å
120Y24.2Very low25.5Very low183 Ų18398.2 Ų98.272%0.71852%0.522SS*.  trans-59.1162.2-179.3-84.5-86.3000112.5E80E80-Y120 CarbonylContact C-O 3.56Å; E80-Y120 VanDerWaalsContact CA-O 3.25Å; E80-Y120 WeakPolarHBondContact CA-O 3.04Å; E80-Y120 VanDerWaalsContact CG-O 3.32Å; E80-Y120 WeakPolarHBondContact CG-O 2.99Å; E80-Y120 PolarHBondContact N-O 3.29Å
121T27Very low25.4Very low70 Ų70101.6 Ų101.643%0.42954%0.535SS..  trans-139136.8172.9-48.40000115.5E78 T79 E80E78-T121 HydrophobicContact CB-CG2 4.33Å; E78-T121 PolarHBondContact O-OG1 2.82Å; T79-T121 VanDerWaalsContact C-CG2 3.49Å; T79-T121 WeakPolarHBondContact CA-OG1 3.08Å; T79-T121 PolarHBondContact N-OG1 2.92Å; T79-T121 WeakPolarHBondContact O-CG2 3.31Å; E80-T121 HydrophobicContact CB-CG2 4.23Å; E80-T121 PolarHBondContact N-OG1 2.92Å; E80-T121 VanDerWaalsContact OE1-CA 3.23Å; E80-T121 WeakPolarHBondContact OE1-CA 3.38Å; E80-T121 PolarHBondContact OE1-N 2.78Å
122G25.4Very low25.2Very low36 Ų3698.1 Ų98.137%0.37153%0.532SS..  trans-170.1150.1-164.700000109.9E80E80-G122 WeakPolarHBondContact OE1-CA 3.1Å; E80-G122 PolarHBondContact OE1-N 3.48Å; E80-G122 WeakPolarHBondContact OE2-CA 3.41Å; E80-G122 PolarHBondContact OE2-N 2.03Å
123H25.9Very low24.9Very low157 Ų157105.4 Ų105.473%0.72757%0.567SS**  trans-151.8122.2-135.7169.889.5000109.9
124W24.6Very low24.8Very low254 Ų254109 Ų10996%0.96258%0.581SS**  trans-140.6111161.5-88.6-10.7000111.3
125G26.2Very low24.9Very low60 Ų60115.1 Ų115.162%0.61960%0.604SS**  trans98.698.3146.300000117
126N25.2Very low24.9Very low148 Ų148118.3 Ų118.379%0.79164%0.635SS**  trans4.6114.1146.8-61.7-14000117.5
127T29.8Very low25Very low135 Ų135121.5 Ų121.583%0.82867%0.665SS**  -176.7136.999.133.10000110.5
128D24.8Very low25Very low153 Ų153126.2 Ų126.282%0.81869%0.689SS**  trans-64.9144.4167.8-51.8-77.2000111.5
129I27.6Very low25.1Very low169 Ų169131.5 Ų131.587%0.86771%0.714SS**  trans-163139.8142.2-97142.4000109.4
130T23.2Very low25Very low73 Ų73135.5 Ų135.545%0.44874%0.743SS.*  trans-106.8167.2-174.9-35.70000110.5
131Y24.4Very low25.2Very low217 Ų217135.5 Ų135.585%0.85175%0.753SS**  trans72.1138.9173.3-32.9-71.9000114.5
132G22.9Very low25.3Very low67 Ų67135.6 Ų135.669%0.69177%0.769SS**  cis155.7127-4.800000110.7
133L22.5Very low25.4Very low170 Ų170141.5 Ų141.589%0.8979%0.79SS**  trans57.6112.3171.8-58.3170.3000117.1
134L23Very low25.6Very low149 Ų149141 Ų14178%0.7879%0.79SS**  168.9142.1113.9-88.2155.8000110.6
135E23.1Very low25.9Very low186 Ų186136.5 Ų136.587%0.86978%0.779SS**  trans21.9103.7151.1-61.2174.9-174.100118.1
136A24.8Very low26.5Very low101 Ų101138.6 Ų138.684%0.83578%0.782SS**  trans-129.1102.1165.900000110.7
137S24.8Very low26.7Very low118 Ų118142.9 Ų142.983%0.82579%0.787SS**  trans-50.8150.9167.345.60000113.7
138V25.1Very low27Very low121 Ų121142.2 Ų142.273%0.73379%0.785SS**SBendtrans-63.1145178.3-153.70000111.9
139H25Very low27.6Very low169 Ų169140.8 Ų140.878%0.78278%0.781SS**  trans86.9123.2166.2-61.7109.7000120.8
140S26.1Very low28Very low109 Ų109138.4 Ų138.476%0.76278%0.78SS**  trans85.2112.9144-57.50000120.3
141I26.8Very low28.9Very low183 Ų183144.6 Ų144.694%0.93880%0.795SS**  -170.8132.7128.7-94.2148.5000108.7
142G29.9Very low30.1Very low73 Ų73139.4 Ų139.475%0.75379%0.788SS**  trans144.785.4168.500000116
143I28Very low31.2Very low160 Ų160142.9 Ų142.982%0.82179%0.786SS**  trans-104.2160.2179.7-37.1178.9000110.4
144M29.1Very low32.6Very low146 Ų146138.9 Ų138.972%0.71977%0.769SS**  trans87.3136.9164.7-57.2160.25800115.5
145H32.4Very low34.1Very low159 Ų159136.5 Ų136.574%0.73675%0.749SS**  cis-132.7157.821.3-73.7-93.7000115.3
146P38.7Very low36.2Very low104 Ų104128.7 Ų128.768%0.67572%0.716SS**  trans-101.8137.9177.837.1-30.4000114
147W27.9Very low38.6Very low238 Ų238125.6 Ų125.690%0.90269%0.687SS**  trans-148136.8154.4-80.195.9000110
148P36.9Very low40.7Very low121 Ų121125.1 Ų125.179%0.78668%0.679SS**  trans-85.3122-178.232.8-31.6000110.9
149V37.2Very low42.7Very low123 Ų123126 Ų12675%0.74568%0.675SS**  trans-118.794.9165.5-171.60000108.6R151V149-R151 PolarHBondContact O-N 3.36Å; V149-R151 VanDerWaalsContact O-N 3.12Å
150S35.3Very low44.3Very low120 Ų120126 Ų12684%0.83968%0.676SS**  trans-63.4107.4170.241.90000110.5
151R41.9Very low46.3Very low203 Ų203126.6 Ų126.677%0.76667%0.67SS**  trans-121.7134.8149.6-98.6-171.7-84.4-158-3.7108.1V149V149-R151 PolarHBondContact O-N 3.36Å; V149-R151 VanDerWaalsContact O-N 3.12Å
152P49.5Very low49.1Very low107 Ų107119.3 Ų119.370%0.69563%0.633SS**  trans-65.5142179.128.7-33.7000109.3T154P152-T154 VanDerWaalsContact C-N 3.31Å; P152-T154 PolarHBondContact O-N 3.4Å
153E47.7Very low51.9Low141 Ų141116.8 Ų116.866%0.65960%0.604SS**  trans-6392169.4-68.3-179.4-179.700109.3R155E153-R155 HydrophobicContact CB-CG 4.17Å; E153-R155 PolarHBondContact O-N 2.84Å; E153-R155 IonicContact OE2-CZ 2.79Å; E153-R155 VanDerWaalsContact OE2-CZ 3.32Å; E153-R155 IonicContact OE2-NE 2.76Å; E153-R155 PolarHBondContact OE2-NE 2.04Å; E153-R155 IonicContact OE2-NH2 2.65Å; E153-R155 PolarHBondContact OE2-NH2 2.96Å
154T51.5Low54.9Low85 Ų85113.7 Ų113.752%0.52158%0.584SS.*  trans-76.169.5166.2480000108.7P152 S156P152-T154 VanDerWaalsContact C-N 3.31Å; P152-T154 PolarHBondContact O-N 3.4Å; T154-S156 PolarHBondContact O-N 2.87Å; T154-S156 PolarHBondContact O-OG 3.2Å
155R54.9Low57.8Low99 Ų99110.2 Ų110.237%0.37457%0.569SS.*  trans-54.7107175-69.8-168.5-167.6-168.36.7108.9E153 C157 V158 D171E153-R155 HydrophobicContact CB-CG 4.17Å; E153-R155 PolarHBondContact O-N 2.84Å; E153-R155 IonicContact OE2-CZ 2.79Å; E153-R155 VanDerWaalsContact OE2-CZ 3.32Å; E153-R155 IonicContact OE2-NE 2.76Å; E153-R155 PolarHBondContact OE2-NE 2.04Å; E153-R155 IonicContact OE2-NH2 2.65Å; E153-R155 PolarHBondContact OE2-NH2 2.96Å; R155-C157 PolarHBondContact O-N 3.46Å; R155-V158 HydrophobicContact CB-CB 4.36Å; R155-V158 HydrophobicContact CB-CG2 3.54Å; R155-V158 WeakPolarHBondContact O-CB 3.27Å; R155-V158 PolarHBondContact O-N 3.3Å; R155-V158 VanDerWaalsContact O-N 3.08Å; R155-D171 WeakPolarHBondContact CA-OD2 3.4Å; R155-D171 WeakPolarHBondContact CB-OD2 3.41Å
156S65.7Low60.3Low23 Ų23104.6 Ų104.616%0.16155%0.554CS.*G310 helixtrans-70.9-23.4-164.1-67.40000112T154 V158 D171 S175T154-S156 PolarHBondContact O-N 2.87Å; T154-S156 PolarHBondContact O-OG 3.2Å; S156-V158 VanDerWaalsContact C-N 3.32Å; S156-V158 PolarHBondContact O-N 3.33Å; S156-D171 PolarHBondContact N-OD2 3.19Å; S156-S175 VanDerWaalsContact CB-C 3.47Å; S156-S175 WeakPolarHBondContact OG-CA 3.36Å; S156-S175 PolarHBondContact OG-N 3.22Å
157C75.9Confident62.7Low36 Ų36100.3 Ų100.324%0.24353%0.527CS..G310 helixtrans-82.1-0.5174.9-66.20000115R155 Q159 C169 V170R155-C157 PolarHBondContact O-N 3.46Å; C157-Q159 VanDerWaalsContact C-N 3.3Å; C157-C169 WeakPolarHBondContact CA-SG 3.09Å; C157-C169 HydrophobicContact CB-CB 3.74Å; C157-C169 WeakPolarHBondContact CB-SG 3.05Å; C157-C169 WeakPolarHBondContact SG-CB 3.33Å; C157-C169 CovalentContact SG-SG 2.04Å; C157-C169 PolarHBondContact SG-SG 3.49Å; C157-V170 PolarHBondContact SG-N 3.29Å
158V68.8Low65.4Low108 Ų10893.2 Ų93.266%0.65551%0.51SS*.G310 helixtrans-81.6-11.4175.8177.90000112R155 S156 E160R155-V158 HydrophobicContact CB-CB 4.36Å; R155-V158 HydrophobicContact CB-CG2 3.54Å; R155-V158 WeakPolarHBondContact O-CB 3.27Å; R155-V158 PolarHBondContact O-N 3.3Å; R155-V158 VanDerWaalsContact O-N 3.08Å; S156-V158 VanDerWaalsContact C-N 3.32Å; S156-V158 PolarHBondContact O-N 3.33Å; V158-E160 PolarHBondContact O-N 2.03Å
159Q66.4Low67.8Low138 Ų13889.4 Ų89.465%0.64549%0.486SS*.SBendtrans-75.6102.3164.1-71.5-173-7.900109.4C157 N161 L162C157-Q159 VanDerWaalsContact C-N 3.3Å; Q159-N161 PolarHBondContact O-N 3.49Å; Q159-L162 HydrophobicContact CB-CD1 3.5Å
160E60.7Low69.9Low171 Ų17186 Ų8680%0.79947%0.465SS*.THydrogen-bonded Turntrans-54.1131.7178.1-63.7-174.7164.900111.2V158V158-E160 PolarHBondContact O-N 2.03Å
161N68.1Low72.1Confident120 Ų12081.9 Ų81.964%0.64243%0.434SS*.THydrogen-bonded Turntrans74.627.9175.9-40.9-79.8000117Q159 K164Q159-N161 PolarHBondContact O-N 3.49Å; N161-K164 PolarHBondContact O-NZ 2.95Å
162L84.8Confident73.8Confident31 Ų3177.2 Ų77.216%0.16242%0.423CS..SBendtrans-61.2-64.1164.2-10257.6000110.8Q159 F176 Y188Q159-L162 HydrophobicContact CB-CD1 3.5Å; L162-F176 HydrophobicContact CD2-CD1 3.61Å; L162-F176 HydrophobicContact CD2-CD2 4.08Å; L162-F176 HydrophobicContact CD2-CE1 3.62Å; L162-F176 HydrophobicContact CD2-CE2 4.09Å; L162-F176 HydrophobicContact CD2-CG 3.88Å; L162-F176 HydrophobicContact CD2-CZ 3.9Å; L162-Y188 HydrophobicContact CB-CD1 4.38Å; L162-Y188 HydrophobicContact CG-CD1 4.41Å; L162-Y188 HydrophobicContact CG-CE1 4.17Å; L162-Y188 WeakPolarHBondContact O-CD1 3.04Å
163C88.4Confident74.9Confident20 Ų2074.1 Ų74.114%0.13541%0.411CS..SBendtrans-72.1130.6176.9-500000111A167 C169 C178 Y188C163-A167 HydrophobicContact CB-CB 3.97Å; C163-C169 VanDerWaalsContact SG-CA 3.57Å; C163-C169 WeakPolarHBondContact SG-CB 3.39Å; C163-C178 WeakPolarHBondContact CA-SG 3.37Å; C163-C178 HydrophobicContact CB-CB 3.77Å; C163-C178 WeakPolarHBondContact CB-SG 3.38Å; C163-C178 VanDerWaalsContact SG-CA 3.51Å; C163-C178 WeakPolarHBondContact SG-CB 3.45Å; C163-C178 CovalentContact SG-SG 2.03Å; C163-C178 PolarHBondContact SG-SG 2.88Å; C163-Y188 CarbonylContact C-O 3.12Å
164K91.2Very high76Confident95 Ų9573.7 Ų73.741%0.41341%0.414SS..  trans-96.1176.1-179.1-55.4-51.5-175.9-170.20111N161 G166 A167 Y188 E190N161-K164 PolarHBondContact O-NZ 2.95Å; K164-G166 PolarHBondContact O-N 3.31Å; K164-A167 WeakPolarHBondContact O-CB 3.02Å; K164-A167 PolarHBondContact O-N 2.96Å; K164-Y188 WeakPolarHBondContact CB-O 3.44Å; K164-Y188 PolarHBondContact N-O 3.32Å; K164-E190 HydrophobicContact CB-CB 4.32Å; K164-E190 HydrophobicContact CG-CB 3.91Å
165N89.8Confident77Confident73 Ų7372.4 Ų72.439%0.3941%0.408SS..THydrogen-bonded Turntrans5327.5171-58.6-38000115A167 R181 F184 C189 E190N165-A167 VanDerWaalsContact C-N 3.31Å; N165-A167 PolarHBondContact O-N 2.76Å; N165-R181 WeakPolarHBondContact O-CD 3.44Å; N165-F184 HydrophobicContact CB-CD1 3.56Å; N165-F184 HydrophobicContact CB-CD2 4.11Å; N165-F184 HydrophobicContact CB-CE1 3.57Å; N165-F184 HydrophobicContact CB-CE2 4.1Å; N165-F184 HydrophobicContact CB-CG 3.84Å; N165-F184 HydrophobicContact CB-CZ 3.85Å; N165-F184 WeakPolarHBondContact ND2-CD1 3.27Å; N165-F184 WeakPolarHBondContact ND2-CE1 3.5Å; N165-C189 PolarHBondContact ND2-O 3.22Å; N165-E190 PolarHBondContact ND2-O 2.96Å
166G85.5Confident78.3Confident41 Ų4169.6 Ų69.642%0.42340%0.398SS..THydrogen-bonded Turntrans72.817.5179.900000115.1K164 R181K164-G166 PolarHBondContact O-N 3.31Å; G166-R181 VanDerWaalsContact C-NE 3.33Å; G166-R181 PolarHBondContact O-NE 2.79Å; G166-R181 PolarHBondContact O-NH2 3.31Å; G166-R181 VanDerWaalsContact O-NH2 3.09Å
167A88.9Confident79.1Confident14 Ų1472.8 Ų72.812%0.11641%0.414CS..PPolyproline II helixtrans-65.215217400000112.9C163 K164 N165 I179 C189C163-A167 HydrophobicContact CB-CB 3.97Å; K164-A167 WeakPolarHBondContact O-CB 3.02Å; K164-A167 PolarHBondContact O-N 2.96Å; N165-A167 VanDerWaalsContact C-N 3.31Å; N165-A167 PolarHBondContact O-N 2.76Å; A167-I179 WeakPolarHBondContact CA-O 3.47Å; A167-I179 VanDerWaalsContact CB-O 3.26Å; A167-I179 WeakPolarHBondContact CB-O 3.07Å; A167-C189 HydrophobicContact CB-CB 3.59Å; A167-C189 WeakPolarHBondContact CB-SG 3.49Å
168T84.9Confident79.6Confident88 Ų8871.5 Ų71.554%0.5441%0.405SS..EExtended strand (participates in β ladder)trans-90.1122.8-177-59.20000110.5I179T168-I179 PolarHBondContact N-O 3.06Å; T168-I179 PolarHBondContact O-N 3.3Å
169C85.7Confident80.4Confident42 Ų4270.5 Ų70.528%0.28440%0.395SS..EExtended strand (participates in β ladder)trans-82124.9174.1-166.10000110.8C157 C163C157-C169 WeakPolarHBondContact CA-SG 3.09Å; C157-C169 HydrophobicContact CB-CB 3.74Å; C157-C169 WeakPolarHBondContact CB-SG 3.05Å; C157-C169 WeakPolarHBondContact SG-CB 3.33Å; C157-C169 CovalentContact SG-SG 2.04Å; C157-C169 PolarHBondContact SG-SG 3.49Å; C163-C169 VanDerWaalsContact SG-CA 3.57Å; C163-C169 WeakPolarHBondContact SG-CB 3.39Å
170V82.9Confident81.3Confident50 Ų5065.7 Ų65.730%0.30338%0.377SS..EExtended strand (participates in β ladder)trans-110.1128.7173.5-179.30000109.5C157 L172 F176 N177 I179C157-V170 PolarHBondContact SG-N 3.29Å; V170-L172 HydrophobicContact CG1-CD2 4.39Å; V170-F176 CarbonylContact O-C 3.57Å; V170-F176 VanDerWaalsContact O-CA 3.3Å; V170-F176 WeakPolarHBondContact O-CA 3.42Å; V170-N177 PolarHBondContact N-O 3.1Å; V170-N177 PolarHBondContact O-N 2.93Å; V170-I179 HydrophobicContact CG2-CD1 3.59Å; V170-I179 HydrophobicContact CG2-CG1 4Å
171D82Confident82.4Confident34 Ų3464.5 Ų64.518%0.18237%0.365CS..EExtended strand (participates in β ladder)trans-85.9127.4-179.5-154-39.3000110.9R155 S156 G173R155-D171 WeakPolarHBondContact CA-OD2 3.4Å; R155-D171 WeakPolarHBondContact CB-OD2 3.41Å; S156-D171 PolarHBondContact N-OD2 3.19Å; D171-G173 PolarHBondContact OD1-N 2.83Å
172L77Confident83.1Confident105 Ų10563.2 Ų63.255%0.5536%0.363SS..  trans-113.324.4178.4-58.9177.2000111V170 N174 S175 N177V170-L172 HydrophobicContact CG1-CD2 4.39Å; L172-N174 PolarHBondContact O-N 3.43Å; L172-N174 VanDerWaalsContact O-N 3.13Å; L172-S175 CarbonylContact C-O 3.48Å; L172-S175 WeakPolarHBondContact CA-O 3.26Å; L172-S175 PolarHBondContact N-O 2.74Å; L172-N177 HydrophobicContact CD1-CB 3.98Å
173G72.4Confident83.3Confident43 Ų4361.9 Ų61.944%0.44336%0.356SS..SBendtrans89.2-63.2170.900000113.6D171D171-G173 PolarHBondContact OD1-N 2.83Å
174N70.3Confident83.4Confident132 Ų13262.5 Ų62.571%0.70636%0.357SS*.SBendtrans-112.54.8174.1-73.2-16.2000112.7L172L172-N174 PolarHBondContact O-N 3.43Å; L172-N174 VanDerWaalsContact O-N 3.13Å
175S73.3Confident83.3Confident58 Ų5863 Ų6341%0.40636%0.364SS..SBendtrans-148.6171.617856.90000109.6S156 L172S156-S175 VanDerWaalsContact CB-C 3.47Å; S156-S175 WeakPolarHBondContact OG-CA 3.36Å; S156-S175 PolarHBondContact OG-N 3.22Å; L172-S175 CarbonylContact C-O 3.48Å; L172-S175 WeakPolarHBondContact CA-O 3.26Å; L172-S175 PolarHBondContact N-O 2.74Å
176F82.1Confident83.3Confident39 Ų3960.6 Ų60.617%0.17136%0.356CS..EExtended strand (participates in β ladder)trans-123.2161.517365.1-75.5000109.2L162 V170 Y188L162-F176 HydrophobicContact CD2-CD1 3.61Å; L162-F176 HydrophobicContact CD2-CD2 4.08Å; L162-F176 HydrophobicContact CD2-CE1 3.62Å; L162-F176 HydrophobicContact CD2-CE2 4.09Å; L162-F176 HydrophobicContact CD2-CG 3.88Å; L162-F176 HydrophobicContact CD2-CZ 3.9Å; V170-F176 CarbonylContact O-C 3.57Å; V170-F176 VanDerWaalsContact O-CA 3.3Å; V170-F176 WeakPolarHBondContact O-CA 3.42Å; F176-Y188 HydrophobicContact CE1-CE1 4.3Å; F176-Y188 AromaticContact CE2-CD1 3.9Å; F176-Y188 HydrophobicContact CE2-CD1 3.9Å; F176-Y188 AromaticContact CE2-CE1 3.75Å; F176-Y188 HydrophobicContact CE2-CE1 3.75Å; F176-Y188 AromaticContact CZ-CD1 3.94Å; F176-Y188 HydrophobicContact CZ-CD1 3.94Å; F176-Y188 AromaticContact CZ-CE1 3.29Å; F176-Y188 HydrophobicContact CZ-CE1 3.29Å; F176-Y188 AromaticContact CZ-CZ 3.87Å
177N82.5Confident83.4Confident90 Ų9064.8 Ų64.848%0.48137%0.365SS..EExtended strand (participates in β ladder)trans-128.4145.5162.7-171.629.5000109.3V170 L172V170-N177 PolarHBondContact N-O 3.1Å; V170-N177 PolarHBondContact O-N 2.93Å; L172-N177 HydrophobicContact CD1-CB 3.98Å
178C86.3Confident83.5Confident9 Ų968.1 Ų68.16%0.06138%0.375CS..EExtended strand (participates in β ladder)trans-104.5116175.4-65.50000109.4C163 C180 C189C163-C178 WeakPolarHBondContact CA-SG 3.37Å; C163-C178 HydrophobicContact CB-CB 3.77Å; C163-C178 WeakPolarHBondContact CB-SG 3.38Å; C163-C178 VanDerWaalsContact SG-CA 3.51Å; C163-C178 WeakPolarHBondContact SG-CB 3.45Å; C163-C178 CovalentContact SG-SG 2.03Å; C163-C178 PolarHBondContact SG-SG 2.88Å; C178-C180 PolarHBondContact O-N 3.13Å; C178-C189 WeakPolarHBondContact CB-SG 3.43Å
179I85.2Confident83.8Confident87 Ų8763.9 Ų63.945%0.44635%0.349SS..EExtended strand (participates in β ladder)trans-81.8104170.5-59.2178000107.3A167 T168 V170A167-I179 WeakPolarHBondContact CA-O 3.47Å; A167-I179 VanDerWaalsContact CB-O 3.26Å; A167-I179 WeakPolarHBondContact CB-O 3.07Å; T168-I179 PolarHBondContact N-O 3.06Å; T168-I179 PolarHBondContact O-N 3.3Å; V170-I179 HydrophobicContact CG2-CD1 3.59Å; V170-I179 HydrophobicContact CG2-CG1 4Å
180C85.4Confident84.2Confident38 Ų3865.9 Ų65.926%0.25735%0.354SS..PPolyproline II helixtrans-68.1147.5-178.1-52.60000111.8C178 F184 C189C178-C180 PolarHBondContact O-N 3.13Å; C180-F184 HydrophobicContact CB-CB 4.28Å; C180-F184 WeakPolarHBondContact CB-O 3.39Å; C180-C189 WeakPolarHBondContact CA-SG 3.35Å; C180-C189 HydrophobicContact CB-CB 3.69Å; C180-C189 WeakPolarHBondContact CB-SG 3.21Å; C180-C189 PolarHBondContact N-SG 2.77Å; C180-C189 VanDerWaalsContact SG-CA 3.53Å; C180-C189 WeakPolarHBondContact SG-CB 3.4Å; C180-C189 CovalentContact SG-SG 2.03Å; C180-C189 PolarHBondContact SG-SG 2.98Å
181R84.2Confident84.6Confident146 Ų14667.4 Ų67.455%0.55136%0.361SS*.PPolyproline II helixtrans-69152.8165.3-66-171.9-177.7-168.90.7108.9N165 G166 G183 F184N165-R181 WeakPolarHBondContact O-CD 3.44Å; G166-R181 VanDerWaalsContact C-NE 3.33Å; G166-R181 PolarHBondContact O-NE 2.79Å; G166-R181 PolarHBondContact O-NH2 3.31Å; G166-R181 VanDerWaalsContact O-NH2 3.09Å; R181-G183 PolarHBondContact O-N 2.85Å; R181-F184 HydrophobicContact CB-CD2 4.1Å; R181-F184 PolarHBondContact O-N 3.27Å; R181-F184 VanDerWaalsContact O-N 3.09Å
182P83.4Confident85.1Confident93 Ų9370.2 Ų70.260%0.60437%0.373SS*.THydrogen-bonded Turntrans-48.7136.6169.1-25.134.3000110.6N212P182-N212 VanDerWaalsContact C-OD1 3.3Å; P182-N212 WeakPolarHBondContact CA-OD1 3.32Å; P182-N212 HydrophobicContact CB-CB 4.09Å; P182-N212 WeakPolarHBondContact CB-OD1 3.38Å
183G87.9Confident85.7Confident2 Ų268.5 Ų68.52%0.02136%0.364CS..THydrogen-bonded Turntrans863.4-174.200000116R181 I193 N212R181-G183 PolarHBondContact O-N 2.85Å; G183-I193 PolarHBondContact O-N 3.12Å; G183-N212 PolarHBondContact N-OD1 3.48Å
184F91.4Very high86.6Confident34 Ų3469.2 Ų69.215%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-130.2147.8177.2-63.5-84000112.9N165 C180 R181 C189 N191 E192 V211N165-F184 HydrophobicContact CB-CD1 3.56Å; N165-F184 HydrophobicContact CB-CD2 4.11Å; N165-F184 HydrophobicContact CB-CE1 3.57Å; N165-F184 HydrophobicContact CB-CE2 4.1Å; N165-F184 HydrophobicContact CB-CG 3.84Å; N165-F184 HydrophobicContact CB-CZ 3.85Å; N165-F184 WeakPolarHBondContact ND2-CD1 3.27Å; N165-F184 WeakPolarHBondContact ND2-CE1 3.5Å; C180-F184 HydrophobicContact CB-CB 4.28Å; C180-F184 WeakPolarHBondContact CB-O 3.39Å; R181-F184 HydrophobicContact CB-CD2 4.1Å; R181-F184 PolarHBondContact O-N 3.27Å; R181-F184 VanDerWaalsContact O-N 3.09Å; F184-C189 HydrophobicContact CB-CB 4.44Å; F184-N191 CarbonylContact C-O 3.59Å; F184-N191 VanDerWaalsContact CA-O 3.28Å; F184-N191 WeakPolarHBondContact CA-O 3.45Å; F184-N191 WeakPolarHBondContact CD1-O 3.38Å; F184-E192 HydrophobicContact CD1-CB 4.27Å; F184-E192 HydrophobicContact CE1-CB 4.03Å; F184-E192 HydrophobicContact CE1-CG 4.45Å; F184-V211 HydrophobicContact CD2-CG1 4.38Å; F184-V211 HydrophobicContact CE2-CG1 3.5Å; F184-V211 HydrophobicContact CZ-CG1 3.91Å; F184-V211 HydrophobicContact CZ-CG2 4.18Å
185D88.2Confident87.5Confident105 Ų10564.5 Ų64.556%0.56133%0.331SS*.EExtended strand (participates in β ladder)trans-148175.9178.2-164.610.5000111.4C189 E190 N191 I193D185-C189 CarbonylContact O-C 3.54Å; D185-C189 WeakPolarHBondContact O-CA 3.41Å; D185-E190 PolarHBondContact O-N 3.19Å; D185-N191 PolarHBondContact N-O 3.36Å; D185-N191 WeakPolarHBondContact O-CB 3.18Å; D185-N191 PolarHBondContact O-N 3.17Å; D185-N191 PolarHBondContact O-ND2 2.67Å; D185-I193 HydrophobicContact CB-CD1 4.22Å; D185-I193 HydrophobicContact CB-CG1 3.95Å
186G90Very high88.3Confident22 Ų2262.7 Ų62.723%0.22732%0.318CS..SBendtrans104.8160.9-171.900000112.1Y188 C189G186-Y188 PolarHBondContact O-N 2.83Å; G186-Y188 VanDerWaalsContact O-N 3.08Å; G186-C189 PolarHBondContact O-N 2.95Å
187Q87.6Confident88.7Confident129 Ų12967.2 Ų67.260%0.60334%0.344SS*.THydrogen-bonded Turntrans-58.9-27.5-176.7-179.51772.600112.8E190Q187-E190 PolarHBondContact N-OE2 3.05Å
188Y90.7Very high88.9Confident84 Ų8467.3 Ų67.333%0.32935%0.351SS..THydrogen-bonded Turntrans-112.811.3178.8-56.4-87.7000111.5L162 C163 K164 F176 G186 E190L162-Y188 HydrophobicContact CB-CD1 4.38Å; L162-Y188 HydrophobicContact CG-CD1 4.41Å; L162-Y188 HydrophobicContact CG-CE1 4.17Å; L162-Y188 WeakPolarHBondContact O-CD1 3.04Å; C163-Y188 CarbonylContact C-O 3.12Å; K164-Y188 WeakPolarHBondContact CB-O 3.44Å; K164-Y188 PolarHBondContact N-O 3.32Å; F176-Y188 HydrophobicContact CE1-CE1 4.3Å; F176-Y188 AromaticContact CE2-CD1 3.9Å; F176-Y188 HydrophobicContact CE2-CD1 3.9Å; F176-Y188 AromaticContact CE2-CE1 3.75Å; F176-Y188 HydrophobicContact CE2-CE1 3.75Å; F176-Y188 AromaticContact CZ-CD1 3.94Å; F176-Y188 HydrophobicContact CZ-CD1 3.94Å; F176-Y188 AromaticContact CZ-CE1 3.29Å; F176-Y188 HydrophobicContact CZ-CE1 3.29Å; F176-Y188 AromaticContact CZ-CZ 3.87Å; G186-Y188 PolarHBondContact O-N 2.83Å; G186-Y188 VanDerWaalsContact O-N 3.08Å; Y188-E190 VanDerWaalsContact C-OE2 3.27Å; Y188-E190 VanDerWaalsContact CA-OE2 3.24Å; Y188-E190 WeakPolarHBondContact CA-OE2 3.3Å; Y188-E190 VanDerWaalsContact CB-OE2 3.29Å; Y188-E190 WeakPolarHBondContact CB-OE2 3.02Å; Y188-E190 PolarHBondContact N-OE2 2.93Å; Y188-E190 PolarHBondContact O-N 3.43Å
189C91.5Very high88.8Confident0 Ų074.5 Ų74.50%039%0.386CS..SBendtrans53.432.9-170.5-49.50000112.8N165 A167 C178 C180 F184 D185 G186N165-C189 PolarHBondContact ND2-O 3.22Å; A167-C189 HydrophobicContact CB-CB 3.59Å; A167-C189 WeakPolarHBondContact CB-SG 3.49Å; C178-C189 WeakPolarHBondContact CB-SG 3.43Å; C180-C189 WeakPolarHBondContact CA-SG 3.35Å; C180-C189 HydrophobicContact CB-CB 3.69Å; C180-C189 WeakPolarHBondContact CB-SG 3.21Å; C180-C189 PolarHBondContact N-SG 2.77Å; C180-C189 VanDerWaalsContact SG-CA 3.53Å; C180-C189 WeakPolarHBondContact SG-CB 3.4Å; C180-C189 CovalentContact SG-SG 2.03Å; C180-C189 PolarHBondContact SG-SG 2.98Å; F184-C189 HydrophobicContact CB-CB 4.44Å; D185-C189 CarbonylContact O-C 3.54Å; D185-C189 WeakPolarHBondContact O-CA 3.41Å; G186-C189 PolarHBondContact O-N 2.95Å
190E93.2Very high88.6Confident84 Ų8471.1 Ų71.139%0.39337%0.37SS..  trans-80.4-19.3-172.372.2-76.1-17600113.8K164 N165 D185 Q187 Y188K164-E190 HydrophobicContact CB-CB 4.32Å; K164-E190 HydrophobicContact CG-CB 3.91Å; N165-E190 PolarHBondContact ND2-O 2.96Å; D185-E190 PolarHBondContact O-N 3.19Å; Q187-E190 PolarHBondContact N-OE2 3.05Å; Y188-E190 VanDerWaalsContact C-OE2 3.27Å; Y188-E190 VanDerWaalsContact CA-OE2 3.24Å; Y188-E190 WeakPolarHBondContact CA-OE2 3.3Å; Y188-E190 VanDerWaalsContact CB-OE2 3.29Å; Y188-E190 WeakPolarHBondContact CB-OE2 3.02Å; Y188-E190 PolarHBondContact N-OE2 2.93Å; Y188-E190 PolarHBondContact O-N 3.43Å
191N92.7Very high88.4Confident82 Ų8270.3 Ų70.344%0.43936%0.364SS..EExtended strand (participates in β ladder)trans-100.8129-178-46.6-75.5000109.4F184 D185F184-N191 CarbonylContact C-O 3.59Å; F184-N191 VanDerWaalsContact CA-O 3.28Å; F184-N191 WeakPolarHBondContact CA-O 3.45Å; F184-N191 WeakPolarHBondContact CD1-O 3.38Å; D185-N191 PolarHBondContact N-O 3.36Å; D185-N191 WeakPolarHBondContact O-CB 3.18Å; D185-N191 PolarHBondContact O-N 3.17Å; D185-N191 PolarHBondContact O-ND2 2.67Å
192E92.8Very high88Confident92 Ų9270 Ų7043%0.4336%0.364SS..EExtended strand (participates in β ladder)trans-66.9135158.5-177.3177.2-147.700107.9F184 N194 V211F184-E192 HydrophobicContact CD1-CB 4.27Å; F184-E192 HydrophobicContact CE1-CB 4.03Å; F184-E192 HydrophobicContact CE1-CG 4.45Å; E192-N194 PolarHBondContact O-N 3.41Å; E192-V211 WeakPolarHBondContact OE1-CG2 3.27Å
193I88.7Confident87.4Confident70 Ų7069.1 Ų69.136%0.35935%0.354SS..PPolyproline II helixtrans-71.6126.6168.7-62.1172.9000106G183 D185 E195G183-I193 PolarHBondContact O-N 3.12Å; D185-I193 HydrophobicContact CB-CD1 4.22Å; D185-I193 HydrophobicContact CB-CG1 3.95Å; I193-E195 PolarHBondContact O-N 2.93Å
194N91.8Very high86.7Confident58 Ų5876.2 Ų76.231%0.3139%0.392SS..  trans-92.696.4172.5174.6-73.8000108.7E192 C196 N197 D209E192-N194 PolarHBondContact O-N 3.41Å; N194-C196 PolarHBondContact O-N 2.03Å; N194-C196 WeakPolarHBondContact OD1-CB 3.3Å; N194-C196 PolarHBondContact OD1-N 3.19Å; N194-N197 WeakPolarHBondContact CB-ND2 3.41Å; N194-N197 WeakPolarHBondContact O-CB 3.28Å; N194-N197 PolarHBondContact O-N 3.29Å; N194-N197 PolarHBondContact O-ND2 3.25Å; N194-N197 PolarHBondContact OD1-N 3.48Å; N194-N197 PolarHBondContact OD1-ND2 2.82Å; N194-N197 PolarHBondContact OD1-OD1 2.76Å; N194-D209 WeakPolarHBondContact CA-OD1 3.23Å; N194-D209 VanDerWaalsContact CA-OD2 3.3Å; N194-D209 WeakPolarHBondContact CA-OD2 3.11Å; N194-D209 WeakPolarHBondContact CB-OD2 3.5Å; N194-D209 VanDerWaalsContact CG-CG 3.45Å; N194-D209 PolarHBondContact ND2-OD1 3.15Å; N194-D209 VanDerWaalsContact ND2-OD1 3.12Å; N194-D209 PolarHBondContact ND2-OD2 2.7Å
195E88.5Confident86.1Confident33 Ų3375.2 Ų75.215%0.15439%0.391CS..G310 helixtrans-58.8-29178.2-75.677.7-174.800111.8I193 N197 S198 D209 N212 S213 F214I193-E195 PolarHBondContact O-N 2.93Å; E195-N197 PolarHBondContact O-N 2.73Å; E195-S198 PolarHBondContact O-N 2.82Å; E195-S198 VanDerWaalsContact O-N 3.15Å; E195-S198 PolarHBondContact O-OG 3.22Å; E195-D209 PolarHBondContact N-OD1 3.21Å; E195-N212 WeakPolarHBondContact OE1-CA 3.42Å; E195-S213 PolarHBondContact OE1-N 3.46Å; E195-F214 HydrophobicContact CB-CB 4.09Å; E195-F214 HydrophobicContact CB-CD1 4.05Å
196C90.5Very high86Confident20 Ų2074.7 Ų74.714%0.13539%0.392CS..G310 helixtrans-62.1-22.2177.5-74.30000114.6N194 S198 M199 C207 D209N194-C196 PolarHBondContact O-N 2.03Å; N194-C196 WeakPolarHBondContact OD1-CB 3.3Å; N194-C196 PolarHBondContact OD1-N 3.19Å; C196-S198 PolarHBondContact O-N 2.68Å; C196-M199 WeakPolarHBondContact O-CA 3.46Å; C196-M199 PolarHBondContact O-N 2.76Å; C196-C207 WeakPolarHBondContact CA-SG 3.2Å; C196-C207 HydrophobicContact CB-CB 3.77Å; C196-C207 WeakPolarHBondContact CB-SG 3.32Å; C196-C207 VanDerWaalsContact SG-C 3.54Å; C196-C207 WeakPolarHBondContact SG-CB 3.42Å; C196-C207 CovalentContact SG-SG 2.03Å; C196-C207 PolarHBondContact SG-SG 3.48Å; C196-D209 PolarHBondContact N-OD1 3.19Å; C196-D209 PolarHBondContact SG-N 3.35Å
197N90.2Very high85.8Confident134 Ų13475.5 Ų75.572%0.71739%0.394SS*.G310 helixtrans-61.1-22.6174.6-77.9-40.9000113N194 E195 M199N194-N197 WeakPolarHBondContact CB-ND2 3.41Å; N194-N197 WeakPolarHBondContact O-CB 3.28Å; N194-N197 PolarHBondContact O-N 3.29Å; N194-N197 PolarHBondContact O-ND2 3.25Å; N194-N197 PolarHBondContact OD1-N 3.48Å; N194-N197 PolarHBondContact OD1-ND2 2.82Å; N194-N197 PolarHBondContact OD1-OD1 2.76Å; E195-N197 PolarHBondContact O-N 2.73Å; N197-M199 PolarHBondContact O-N 3.17Å
198S86.1Confident85.9Confident91 Ų9173 Ų7364%0.63638%0.381SS*.G310 helixtrans-75.1-4.1173.668.70000113.9E195 C196 P200E195-S198 PolarHBondContact O-N 2.82Å; E195-S198 VanDerWaalsContact O-N 3.15Å; E195-S198 PolarHBondContact O-OG 3.22Å; C196-S198 PolarHBondContact O-N 2.68Å; S198-P200 WeakPolarHBondContact OG-CD 3.37Å
199M84.5Confident85.9Confident161 Ų16171.3 Ų71.379%0.79338%0.378SS*.  trans51.355.1-171.7-61.5179.959.500113.2C196 N197 C201C196-M199 WeakPolarHBondContact O-CA 3.46Å; C196-M199 PolarHBondContact O-N 2.76Å; N197-M199 PolarHBondContact O-N 3.17Å; M199-C201 VanDerWaalsContact C-N 3.31Å; M199-C201 PolarHBondContact O-N 2.83Å
200P82.1Confident85.7Confident16 Ų1675.1 Ų75.110%0.10440%0.398CS..  trans-74.4-19.3-17232.3-36.1000113.7S198 Y202 F214S198-P200 WeakPolarHBondContact OG-CD 3.37Å; P200-Y202 WeakPolarHBondContact O-CD2 3.41Å; P200-Y202 WeakPolarHBondContact O-CE2 3.44Å; P200-F214 HydrophobicContact CB-CD1 4.24Å; P200-F214 HydrophobicContact CB-CD2 3.96Å; P200-F214 HydrophobicContact CB-CE1 3.91Å; P200-F214 HydrophobicContact CB-CE2 3.62Å; P200-F214 HydrophobicContact CB-CG 4.27Å; P200-F214 HydrophobicContact CB-CZ 3.6Å; P200-F214 HydrophobicContact CG-CB 4.39Å; P200-F214 HydrophobicContact CG-CD1 4.02Å; P200-F214 HydrophobicContact CG-CD2 3.62Å; P200-F214 HydrophobicContact CG-CE1 4.22Å; P200-F214 HydrophobicContact CG-CE2 3.85Å; P200-F214 HydrophobicContact CG-CG 3.73Å; P200-F214 HydrophobicContact CG-CZ 4.14Å
201C81.4Confident85.4Confident20 Ų2075.1 Ų75.114%0.13540%0.403CS..  trans-86112.2-178.7-50.80000111.7M199 C207 C216 Y218M199-C201 VanDerWaalsContact C-N 3.31Å; M199-C201 PolarHBondContact O-N 2.83Å; C201-C207 HydrophobicContact CB-CB 4.39Å; C201-C207 WeakPolarHBondContact SG-CA 3.38Å; C201-C207 WeakPolarHBondContact SG-CB 3.48Å; C201-C207 PolarHBondContact SG-SG 3.05Å; C201-C216 VanDerWaalsContact CA-SG 3.51Å; C201-C216 HydrophobicContact CB-CB 3.77Å; C201-C216 WeakPolarHBondContact CB-SG 3.34Å; C201-C216 WeakPolarHBondContact SG-CB 3.18Å; C201-C216 CovalentContact SG-SG 2.03Å; C201-C216 PolarHBondContact SG-SG 3.09Å; C201-Y218 HydrophobicContact CB-CE1 4.37Å
202Y75.2Confident84.9Confident139 Ų13975.6 Ų75.655%0.54541%0.406SS..  trans-77.8174.4175.1-65-89.3000112.2P200 N204 G205 Y218 D226P200-Y202 WeakPolarHBondContact O-CD2 3.41Å; P200-Y202 WeakPolarHBondContact O-CE2 3.44Å; Y202-N204 PolarHBondContact O-N 3.25Å; Y202-G205 PolarHBondContact O-N 3.48Å; Y202-Y218 WeakPolarHBondContact O-CE1 3.31Å; Y202-D226 WeakPolarHBondContact CD2-O 3.46Å
203N70.9Confident84.4Confident75 Ų7574 Ų7440%0.40141%0.405SS..THydrogen-bonded Turntrans55.338.4168.7-56.4-29.5000115.8G205 F222 N230N203-G205 PolarHBondContact O-N 2.93Å; N203-F222 HydrophobicContact CB-CD1 4.15Å; N203-F222 HydrophobicContact CB-CE1 3.85Å; N203-F222 HydrophobicContact CB-CZ 4.14Å; N203-F222 WeakPolarHBondContact ND2-CE1 3.49Å; N203-N230 PolarHBondContact ND2-OD1 2.88Å
204N73.2Confident84.2Confident152 Ų15274 Ų7481%0.81340%0.402SS*.THydrogen-bonded Turntrans56.929.8-173-68.8-6.9000114Y202Y202-N204 PolarHBondContact O-N 3.25Å
205G79.3Confident83.7Confident13 Ų1375.7 Ų75.713%0.13441%0.408CS..  trans-60.8135.1165.400000111.3Y202 N203 C207 Y218Y202-G205 PolarHBondContact O-N 3.48Å; N203-G205 PolarHBondContact O-N 2.93Å; G205-C207 PolarHBondContact O-N 3.33Å; G205-Y218 VanDerWaalsContact CA-CD1 3.47Å
206T84.1Confident83.3Confident93 Ų9374.9 Ų74.957%0.57141%0.406SS*.EExtended strand (participates in β ladder)trans-82112.5174.2-58.30000108.4D217T206-D217 PolarHBondContact N-O 2.9Å; T206-D217 PolarHBondContact O-N 3.28Å
207C87.6Confident82.7Confident40 Ų4077.5 Ų77.527%0.2742%0.419SS..EExtended strand (participates in β ladder)trans-75134.6178.8-161.50000111.5C196 C201 G205C196-C207 WeakPolarHBondContact CA-SG 3.2Å; C196-C207 HydrophobicContact CB-CB 3.77Å; C196-C207 WeakPolarHBondContact CB-SG 3.32Å; C196-C207 VanDerWaalsContact SG-C 3.54Å; C196-C207 WeakPolarHBondContact SG-CB 3.42Å; C196-C207 CovalentContact SG-SG 2.03Å; C196-C207 PolarHBondContact SG-SG 3.48Å; C201-C207 HydrophobicContact CB-CB 4.39Å; C201-C207 WeakPolarHBondContact SG-CA 3.38Å; C201-C207 WeakPolarHBondContact SG-CB 3.48Å; C201-C207 PolarHBondContact SG-SG 3.05Å; G205-C207 PolarHBondContact O-N 3.33Å
208K89.1Confident81.6Confident76 Ų7673.2 Ų73.233%0.3339%0.393SS..EExtended strand (participates in β ladder)trans-115.5127.5169.2-69.4164.4170165.90108.6F214 E215 D217K208-F214 WeakPolarHBondContact O-CA 3.34Å; K208-E215 HydrophobicContact CB-CB 4.19Å; K208-E215 HydrophobicContact CD-CB 4.24Å; K208-E215 HydrophobicContact CD-CG 4.13Å; K208-E215 WeakPolarHBondContact CD-OE2 3.49Å; K208-E215 PolarHBondContact N-O 3.45Å; K208-E215 IonicContact NZ-OE2 3Å; K208-E215 PolarHBondContact NZ-OE2 2.85Å; K208-E215 PolarHBondContact O-N 3.4Å; K208-D217 WeakPolarHBondContact CE-OD1 3.28Å; K208-D217 WeakPolarHBondContact CE-OD2 3.41Å; K208-D217 IonicContact NZ-OD1 3.16Å; K208-D217 PolarHBondContact NZ-OD1 3.39Å; K208-D217 IonicContact NZ-OD2 2.73Å; K208-D217 PolarHBondContact NZ-OD2 3.41Å
209D90.2Very high80.5Confident49 Ų4972.3 Ų72.326%0.26239%0.385SS..EExtended strand (participates in β ladder)trans-70.1142.7173.2-128.330.2000110.7N194 E195 C196N194-D209 WeakPolarHBondContact CA-OD1 3.23Å; N194-D209 VanDerWaalsContact CA-OD2 3.3Å; N194-D209 WeakPolarHBondContact CA-OD2 3.11Å; N194-D209 WeakPolarHBondContact CB-OD2 3.5Å; N194-D209 VanDerWaalsContact CG-CG 3.45Å; N194-D209 PolarHBondContact ND2-OD1 3.15Å; N194-D209 VanDerWaalsContact ND2-OD1 3.12Å; N194-D209 PolarHBondContact ND2-OD2 2.7Å; E195-D209 PolarHBondContact N-OD1 3.21Å; C196-D209 PolarHBondContact N-OD1 3.19Å; C196-D209 PolarHBondContact SG-N 3.35Å
210L87.1Confident79.4Confident80 Ų8075.1 Ų75.142%0.41939%0.392SS..EExtended strand (participates in β ladder)trans-146.1146.1173.7-67.2176.6000108.7N212 S213 E215L210-N212 PolarHBondContact O-N 3.24Å; L210-S213 PolarHBondContact N-O 3.49Å; L210-S213 CarbonylContact O-C 3.44Å; L210-S213 PolarHBondContact O-N 3.47Å; L210-E215 HydrophobicContact CD1-CB 3.85Å
211V86.5Confident78.1Confident84 Ų8476.7 Ų76.751%0.50941%0.412SS..THydrogen-bonded Turntrans-54.4114178.2-179.70000111.3F184 E192 S213F184-V211 HydrophobicContact CD2-CG1 4.38Å; F184-V211 HydrophobicContact CE2-CG1 3.5Å; F184-V211 HydrophobicContact CZ-CG1 3.91Å; F184-V211 HydrophobicContact CZ-CG2 4.18Å; E192-V211 WeakPolarHBondContact OE1-CG2 3.27Å; V211-S213 VanDerWaalsContact C-N 3.27Å; V211-S213 PolarHBondContact O-N 3.03Å
212N82.6Confident76.4Confident92 Ų9278.8 Ų78.849%0.49242%0.419SS..THydrogen-bonded Turntrans61.828-178.2-162.271.3000114.1P182 G183 E195 L210P182-N212 VanDerWaalsContact C-OD1 3.3Å; P182-N212 WeakPolarHBondContact CA-OD1 3.32Å; P182-N212 HydrophobicContact CB-CB 4.09Å; P182-N212 WeakPolarHBondContact CB-OD1 3.38Å; G183-N212 PolarHBondContact N-OD1 3.48Å; E195-N212 WeakPolarHBondContact OE1-CA 3.42Å; L210-N212 PolarHBondContact O-N 3.24Å
213S82Confident75.1Confident59 Ų5977 Ų7741%0.41342%0.418SS..EExtended strand (participates in β ladder)trans-163.8178.2-175.4-1520000112.4E195 L210 V211E195-S213 PolarHBondContact OE1-N 3.46Å; L210-S213 PolarHBondContact N-O 3.49Å; L210-S213 CarbonylContact O-C 3.44Å; L210-S213 PolarHBondContact O-N 3.47Å; V211-S213 VanDerWaalsContact C-N 3.27Å; V211-S213 PolarHBondContact O-N 3.03Å
214F84.6Confident74.2Confident70 Ų7074.8 Ų74.831%0.30741%0.412SS..EExtended strand (participates in β ladder)trans-145.2148.7168.160.1-89.3000109.6E195 P200 K208E195-F214 HydrophobicContact CB-CB 4.09Å; E195-F214 HydrophobicContact CB-CD1 4.05Å; P200-F214 HydrophobicContact CB-CD1 4.24Å; P200-F214 HydrophobicContact CB-CD2 3.96Å; P200-F214 HydrophobicContact CB-CE1 3.91Å; P200-F214 HydrophobicContact CB-CE2 3.62Å; P200-F214 HydrophobicContact CB-CG 4.27Å; P200-F214 HydrophobicContact CB-CZ 3.6Å; P200-F214 HydrophobicContact CG-CB 4.39Å; P200-F214 HydrophobicContact CG-CD1 4.02Å; P200-F214 HydrophobicContact CG-CD2 3.62Å; P200-F214 HydrophobicContact CG-CE1 4.22Å; P200-F214 HydrophobicContact CG-CE2 3.85Å; P200-F214 HydrophobicContact CG-CG 3.73Å; P200-F214 HydrophobicContact CG-CZ 4.14Å; K208-F214 WeakPolarHBondContact O-CA 3.34Å
215E81Confident73.1Confident92 Ų9272.6 Ų72.643%0.4341%0.409SS..EExtended strand (participates in β ladder)trans-113.7144.1168.5177.7179.2-128.500108.7K208 L210K208-E215 HydrophobicContact CB-CB 4.19Å; K208-E215 HydrophobicContact CD-CB 4.24Å; K208-E215 HydrophobicContact CD-CG 4.13Å; K208-E215 WeakPolarHBondContact CD-OE2 3.49Å; K208-E215 PolarHBondContact N-O 3.45Å; K208-E215 IonicContact NZ-OE2 3Å; K208-E215 PolarHBondContact NZ-OE2 2.85Å; K208-E215 PolarHBondContact O-N 3.4Å; L210-E215 HydrophobicContact CD1-CB 3.85Å
216C80.5Confident71.8Confident16 Ų1673.9 Ų73.911%0.10841%0.412CS..EExtended strand (participates in β ladder)trans-119.9115.4178-640000110.2C201 Y218C201-C216 VanDerWaalsContact CA-SG 3.51Å; C201-C216 HydrophobicContact CB-CB 3.77Å; C201-C216 WeakPolarHBondContact CB-SG 3.34Å; C201-C216 WeakPolarHBondContact SG-CB 3.18Å; C201-C216 CovalentContact SG-SG 2.03Å; C201-C216 PolarHBondContact SG-SG 3.09Å; C216-Y218 HydrophobicContact CB-CD2 4.18Å; C216-Y218 HydrophobicContact CB-CE1 3.85Å; C216-Y218 HydrophobicContact CB-CE2 3.3Å; C216-Y218 WeakPolarHBondContact CB-OH 3.19Å; C216-Y218 WeakPolarHBondContact O-CD2 3.47Å; C216-Y218 WeakPolarHBondContact O-CE2 3.24Å; C216-Y218 PolarHBondContact O-N 2.96Å; C216-Y218 PolarHBondContact SG-OH 3.22Å
217D78.8Confident70Confident75 Ų7569.6 Ų69.640%0.40139%0.386SS..EExtended strand (participates in β ladder)trans-84.9106.6173.1-89.58000109.8T206 K208T206-D217 PolarHBondContact N-O 2.9Å; T206-D217 PolarHBondContact O-N 3.28Å; K208-D217 WeakPolarHBondContact CE-OD1 3.28Å; K208-D217 WeakPolarHBondContact CE-OD2 3.41Å; K208-D217 IonicContact NZ-OD1 3.16Å; K208-D217 PolarHBondContact NZ-OD1 3.39Å; K208-D217 IonicContact NZ-OD2 2.73Å; K208-D217 PolarHBondContact NZ-OD2 3.41Å
218Y67.3Low68.2Low44 Ų4476.9 Ų76.917%0.17341%0.408CS..PPolyproline II helixtrans-94.5148.9-180-56.2-79000112.7C201 Y202 G205 C216 F222 C227C201-Y218 HydrophobicContact CB-CE1 4.37Å; Y202-Y218 WeakPolarHBondContact O-CE1 3.31Å; G205-Y218 VanDerWaalsContact CA-CD1 3.47Å; C216-Y218 HydrophobicContact CB-CD2 4.18Å; C216-Y218 HydrophobicContact CB-CE1 3.85Å; C216-Y218 HydrophobicContact CB-CE2 3.3Å; C216-Y218 WeakPolarHBondContact CB-OH 3.19Å; C216-Y218 WeakPolarHBondContact O-CD2 3.47Å; C216-Y218 WeakPolarHBondContact O-CE2 3.24Å; C216-Y218 PolarHBondContact O-N 2.96Å; C216-Y218 PolarHBondContact SG-OH 3.22Å; Y218-F222 HydrophobicContact CD1-CB 4.47Å; Y218-F222 HydrophobicContact CG-CB 4.12Å; Y218-C227 HydrophobicContact CD1-CB 4.16Å; Y218-C227 WeakPolarHBondContact CD2-SG 3.37Å; Y218-C227 HydrophobicContact CE1-CB 3.45Å; Y218-C227 VanDerWaalsContact CE1-CB 3.45Å; Y218-C227 WeakPolarHBondContact CE1-SG 3.29Å; Y218-C227 HydrophobicContact CE2-CB 4Å; Y218-C227 WeakPolarHBondContact CE2-SG 3.45Å; Y218-C227 WeakPolarHBondContact OH-CB 3.47Å; Y218-C227 PolarHBondContact OH-N 2.93Å
219P62.7Low66.3Low72 Ų7278.5 Ų78.547%0.46842%0.419SS..PPolyproline II helixtrans-53.6147.7161.4-2233.5000110.8G221P219-G221 PolarHBondContact O-N 3.26Å; P219-G221 VanDerWaalsContact O-N 3.08Å
220K60.5Low63.9Low220 Ų22078.4 Ų78.496%0.95742%0.419SS*.THydrogen-bonded Turntrans-52.7117.6-178.6-66.7-177177.9-177.40111.4
221G55Low61.7Low50 Ų5080.9 Ų80.952%0.51543%0.428SS..THydrogen-bonded Turntrans139.3-13.317800000115.2P219P219-G221 PolarHBondContact O-N 3.26Å; P219-G221 VanDerWaalsContact O-N 3.08Å
222F46.3Very low59.5Low64 Ų6482 Ų8228%0.28143%0.428SS..BIsolated β-bridgetrans-119.3138.5-177.3-57.3-93000110.8N203 Y218 N230N203-F222 HydrophobicContact CB-CD1 4.15Å; N203-F222 HydrophobicContact CB-CE1 3.85Å; N203-F222 HydrophobicContact CB-CZ 4.14Å; N203-F222 WeakPolarHBondContact ND2-CE1 3.49Å; Y218-F222 HydrophobicContact CD1-CB 4.47Å; Y218-F222 HydrophobicContact CG-CB 4.12Å; F222-N230 WeakPolarHBondContact CD1-OD1 3.48Å; F222-N230 WeakPolarHBondContact CE1-OD1 3.46Å
223I47.4Very low57.3Low102 Ų10282.6 Ų82.652%0.52342%0.424SS..  trans-140.7134.6178.6-54.7-168.4000109.9I229 Q231I223-I229 VanDerWaalsContact O-O 3.11Å; I223-Q231 HydrophobicContact CB-CG 4.33Å; I223-Q231 HydrophobicContact CG1-CG 4.24Å
224G51.4Low54.9Low27 Ų2782.9 Ų82.928%0.27844%0.436SS..SBendtrans141.1145.817600000110.7D226 C227G224-D226 PolarHBondContact O-N 2.75Å; G224-C227 PolarHBondContact O-N 3.08Å
225S51.6Low52.7Low106 Ų10689.2 Ų89.274%0.74147%0.467SS*.THydrogen-bonded Turntrans-64-19.118044.10000113.6
226D50.9Low50.5Low40 Ų4092.7 Ų92.721%0.21448%0.482CS..THydrogen-bonded Turntrans-121.21.6176.964.715.3000114Y202 G224 R228Y202-D226 WeakPolarHBondContact CD2-O 3.46Å; G224-D226 PolarHBondContact O-N 2.75Å; D226-R228 PolarHBondContact O-N 3.28Å; D226-R228 PolarHBondContact OD1-N 2.83Å; D226-R228 IonicContact OD1-NE 2.69Å; D226-R228 IonicContact OD2-CZ 2.71Å; D226-R228 IonicContact OD2-NE 2.63Å; D226-R228 PolarHBondContact OD2-NE 3.47Å; D226-R228 IonicContact OD2-NH2 2.78Å; D226-R228 PolarHBondContact OD2-NH2 3.03Å
227C47.5Very low48.2Very low3 Ų394.8 Ų94.82%0.0250%0.497CS..  trans36.735.2-169.7-92.60000117.7Y218 G224 I229Y218-C227 HydrophobicContact CD1-CB 4.16Å; Y218-C227 WeakPolarHBondContact CD2-SG 3.37Å; Y218-C227 HydrophobicContact CE1-CB 3.45Å; Y218-C227 VanDerWaalsContact CE1-CB 3.45Å; Y218-C227 WeakPolarHBondContact CE1-SG 3.29Å; Y218-C227 HydrophobicContact CE2-CB 4Å; Y218-C227 WeakPolarHBondContact CE2-SG 3.45Å; Y218-C227 WeakPolarHBondContact OH-CB 3.47Å; Y218-C227 PolarHBondContact OH-N 2.93Å; G224-C227 PolarHBondContact O-N 3.08Å; C227-I229 PolarHBondContact O-N 2.95Å
228R49.3Very low46.4Very low194 Ų19498 Ų9873%0.73251%0.514SS*.  trans-74.4-3.4164.4-66.9-174.1-75.1-163.6-7.8112.5D226D226-R228 PolarHBondContact O-N 3.28Å; D226-R228 PolarHBondContact OD1-N 2.83Å; D226-R228 IonicContact OD1-NE 2.69Å; D226-R228 IonicContact OD2-CZ 2.71Å; D226-R228 IonicContact OD2-NE 2.63Å; D226-R228 PolarHBondContact OD2-NE 3.47Å; D226-R228 IonicContact OD2-NH2 2.78Å; D226-R228 PolarHBondContact OD2-NH2 3.03Å
229I48.9Very low45.2Very low110 Ų110103.4 Ų103.456%0.56454%0.541SS*.  trans-115.689.9-178-50.4177.8000109.6I223 C227I223-I229 VanDerWaalsContact O-O 3.11Å; C227-I229 PolarHBondContact O-N 2.95Å
230N40.5Very low44.2Very low46 Ų46104 Ų10425%0.24654%0.543CS..BIsolated β-bridgetrans-68.7133.7158.9-69.21.1000107.6N203 F222 Q232 C237N203-N230 PolarHBondContact ND2-OD1 2.88Å; F222-N230 WeakPolarHBondContact CD1-OD1 3.48Å; F222-N230 WeakPolarHBondContact CE1-OD1 3.46Å; N230-Q232 PolarHBondContact O-N 2.91Å; N230-C237 PolarHBondContact ND2-SG 3.49Å
231Q40.3Very low43.6Very low132 Ų13297.9 Ų97.962%0.61752%0.52SS*.SBendtrans-72.120-176.9-61.1-158-70.900114.2I223I223-Q231 HydrophobicContact CB-CG 4.33Å; I223-Q231 HydrophobicContact CG1-CG 4.24Å
232Q39.9Very low43.7Very low108 Ų108102.8 Ų102.851%0.50553%0.532SS..SBendtrans-151.466.3-160.4-137.1167.422.800112.3N230 V240N230-Q232 PolarHBondContact O-N 2.91Å; Q232-V240 VanDerWaalsContact CD-CG2 3.47Å; Q232-V240 HydrophobicContact CG-CG2 4.03Å
233Y36.3Very low44.4Very low105 Ų105106.9 Ų106.941%0.41256%0.557SS.*SBendtrans74.9130.3172.8-62.1-97.8000118T244Y233-T244 VanDerWaalsContact OH-CG2 3.26Å; Y233-T244 WeakPolarHBondContact OH-CG2 3.03Å
234G31.7Very low44.9Very low65 Ų65106.3 Ų106.367%0.6756%0.559SS**SBendtrans76.1161.7147.700000118.2H236G234-H236 PolarHBondContact O-N 3.03Å
235Q38.4Very low45.7Very low202 Ų202113.5 Ų113.594%0.94459%0.585SS**SBendtrans-71.77.1161.7-71.3177.5-37.900112.6
236H35.2Very low46.5Very low165 Ų165114.3 Ų114.376%0.76459%0.588SS**SBendtrans-148118.1173-102.641.1000106.4G234 D238G234-H236 PolarHBondContact O-N 3.03Å; H236-D238 PolarHBondContact O-N 2.86Å
237C32.4Very low47.2Very low60 Ų60119 Ų11941%0.40561%0.606SS.*  trans-91.886-175.1-56.80000110.4N230N230-C237 PolarHBondContact ND2-SG 3.49Å
238D40.2Very low48.7Very low144 Ų144120.3 Ų120.377%0.7762%0.615SS**  trans-143.2142.4163.1-87.2-50.5000109.2H236H236-D238 PolarHBondContact O-N 2.86Å
239E42.4Very low50.3Low157 Ų157115 Ų11573%0.73461%0.606SS**  trans83.797.4-179.9-55.4-167.7174.100118.3I241E239-I241 PolarHBondContact O-N 3.09Å
240V42.5Very low52Low83 Ų83112.1 Ų112.150%0.50360%0.598SS.*  trans-81.1108.1164.3-178.60000109.7Q232 I242Q232-V240 VanDerWaalsContact CD-CG2 3.47Å; Q232-V240 HydrophobicContact CG-CG2 4.03Å; V240-I242 HydrophobicContact CG1-CG1 4.14Å
241I48.5Very low54Low93 Ų93110 Ų11048%0.47759%0.587SS.*  trans-95.2120.1168.3-56.8179.2000108.4E239 D243E239-I241 PolarHBondContact O-N 3.09Å; I241-D243 VanDerWaalsContact C-N 3.27Å; I241-D243 HydrophobicContact CG2-CB 4.48Å; I241-D243 PolarHBondContact O-N 3.16Å
242I56.3Low55.9Low152 Ų152109 Ų10978%0.77959%0.586SS**THydrogen-bonded Turntrans-81.9-4.2-167.7-60.5173.4000112.6V240V240-I242 HydrophobicContact CG1-CG1 4.14Å
243D60Low57.5Low151 Ų151105.1 Ų105.181%0.80757%0.567SS**THydrogen-bonded Turntrans-101.613-167.9-63.4-35.6000115.4I241I241-D243 VanDerWaalsContact C-N 3.27Å; I241-D243 HydrophobicContact CG2-CB 4.48Å; I241-D243 PolarHBondContact O-N 3.16Å
244T59Low59.4Low90 Ų90108.3 Ų108.355%0.55258%0.58SS**PPolyproline II helixtrans-94128.1179.955.10000113.3Y233Y233-T244 VanDerWaalsContact OH-CG2 3.26Å; Y233-T244 WeakPolarHBondContact OH-CG2 3.03Å
245E68Low61.3Low178 Ų178108.3 Ų108.383%0.83258%0.58SS**PPolyproline II helixtrans-55.9145.8171-67.7-172.117000111.5K247E245-K247 PolarHBondContact O-N 3.17Å
246P67.8Low62.4Low123 Ų123107.1 Ų107.180%0.79957%0.567SS**PPolyproline II helixtrans-60.9132-17925.3-34.4000111
247K66.3Low64.1Low137 Ų137105.7 Ų105.760%0.59656%0.563SS**PPolyproline II helixtrans-54.6132-180-166.3-178.6-173.4-171.60110.5E245 D259E245-K247 PolarHBondContact O-N 3.17Å; K247-D259 WeakPolarHBondContact CE-OD1 3.16Å; K247-D259 IonicContact NZ-OD1 2.73Å; K247-D259 PolarHBondContact NZ-OD1 3.46Å; K247-D259 IonicContact NZ-OD2 2.72Å; K247-D259 PolarHBondContact NZ-OD2 2.92Å
248P78.2Confident66Low32 Ų32104.7 Ų104.721%0.20855%0.551CS.*PPolyproline II helixtrans-59.4153.8176.5-20.830.9000112.1H260 K275P248-H260 HydrophobicContact CB-CB 3.85Å; P248-H260 HydrophobicContact CG-CB 4.2Å; P248-K275 HydrophobicContact CB-CB 3.99Å; P248-K275 HydrophobicContact CB-CD 4.47Å; P248-K275 HydrophobicContact CB-CG 3.84Å; P248-K275 HydrophobicContact CG-CG 4.25Å
249P82.6Confident67.7Low83 Ų83100.8 Ų100.854%0.53953%0.53SS..PPolyproline II helixtrans-66.4144.8-18026.3-31.8000111.5K275 G276P249-K275 WeakPolarHBondContact CG-O 3.21Å; P249-K275 CarbonylContact O-C 3.51Å; P249-G276 WeakPolarHBondContact O-CA 3.02Å; P249-G276 PolarHBondContact O-N 3.3Å
250A85.7Confident69.6Low49 Ų4996.1 Ų96.141%0.40551%0.508SS..PPolyproline II helixtrans-72.8158.117300000111.7I257 Y258A250-I257 HydrophobicContact CB-CG2 3.71Å; A250-Y258 CarbonylContact C-O 3.55Å; A250-Y258 WeakPolarHBondContact CA-O 3.44Å; A250-Y258 VanDerWaalsContact CB-O 3.29Å; A250-Y258 WeakPolarHBondContact CB-O 3.26Å
251C81.8Confident71.5Confident1 Ų196.8 Ų96.81%0.00751%0.509CS..EExtended strand (participates in β ladder)trans-98133177.3-68.20000111.1I257 Y258 W264 C273 G276 I278C251-I257 CarbonylContact O-C 3.58Å; C251-I257 WeakPolarHBondContact O-CA 3.44Å; C251-Y258 PolarHBondContact N-O 3.09Å; C251-Y258 PolarHBondContact O-N 3.5Å; C251-W264 HydrophobicContact CB-CH2 4.37Å; C251-C273 HydrophobicContact CB-CB 3.74Å; C251-C273 WeakPolarHBondContact CB-SG 3.29Å; C251-C273 PolarHBondContact N-SG 3.34Å; C251-C273 VanDerWaalsContact N-SG 3.36Å; C251-C273 WeakPolarHBondContact SG-CA 3.42Å; C251-C273 WeakPolarHBondContact SG-CB 3.35Å; C251-C273 CovalentContact SG-SG 2.03Å; C251-C273 PolarHBondContact SG-SG 2.75Å; C251-G276 VanDerWaalsContact SG-CA 3.54Å; C251-I278 HydrophobicContact CB-CD1 4.18Å; C251-I278 HydrophobicContact CB-CG1 3.64Å
252N80.7Confident72.9Confident111 Ų11195.7 Ų95.759%0.59450%0.504SS*.EExtended strand (participates in β ladder)trans-100.1114.2169.2-178.6-10.5000109.7G255 R256 I278N252-G255 WeakPolarHBondContact OD1-CA 3.46Å; N252-G255 PolarHBondContact OD1-N 2.78Å; N252-G255 VanDerWaalsContact OD1-N 3.13Å; N252-R256 WeakPolarHBondContact CA-O 3.34Å; N252-I278 VanDerWaalsContact O-CD1 3.31Å; N252-I278 WeakPolarHBondContact O-CD1 3.34Å
253F74.3Confident74Confident26 Ų2692.5 Ų92.511%0.11449%0.489CS..EExtended strand (participates in β ladder)trans-127111.7-179.2-178.1-104.8000109.2G255 R256 Y258 W264 Y266 I278F253-G255 VanDerWaalsContact C-N 3.27Å; F253-G255 PolarHBondContact O-N 3.02Å; F253-R256 PolarHBondContact N-O 3.22Å; F253-R256 PolarHBondContact O-N 3.47Å; F253-Y258 HydrophobicContact CB-CD2 3.9Å; F253-Y258 HydrophobicContact CB-CE2 3.76Å; F253-Y258 AromaticContact CD1-CE2 3.98Å; F253-Y258 HydrophobicContact CD1-CE2 3.98Å; F253-Y258 HydrophobicContact CG-CE2 4.35Å; F253-W264 HydrophobicContact CB-CZ2 3.97Å; F253-W264 AromaticContact CD1-CE2 3.86Å; F253-W264 HydrophobicContact CD1-CZ2 4.11Å; F253-W264 AromaticContact CD1-NE1 3.18Å; F253-W264 HydrophobicContact CD2-CZ2 4.24Å; F253-W264 AromaticContact CE1-CD1 3.91Å; F253-W264 AromaticContact CE1-NE1 3.14Å; F253-W264 AromaticContact CG-CZ2 3.87Å; F253-W264 HydrophobicContact CG-CZ2 3.87Å; F253-W264 AromaticContact CG-NE1 3.84Å; F253-W264 AromaticContact CZ-NE1 3.76Å; F253-Y266 HydrophobicContact CE1-CD1 4.14Å; F253-Y266 AromaticContact CE1-CD2 3.67Å; F253-Y266 HydrophobicContact CE1-CD2 3.67Å; F253-Y266 HydrophobicContact CE1-CE2 4.29Å; F253-Y266 AromaticContact CE1-CG 3.57Å; F253-Y266 HydrophobicContact CE1-CG 3.57Å; F253-Y266 AromaticContact CZ-CD1 3.54Å; F253-Y266 HydrophobicContact CZ-CD1 3.54Å; F253-Y266 AromaticContact CZ-CD2 3.94Å; F253-Y266 HydrophobicContact CZ-CD2 3.94Å; F253-Y266 HydrophobicContact CZ-CE1 4.05Å; F253-Y266 HydrophobicContact CZ-CE2 4.41Å; F253-Y266 AromaticContact CZ-CG 3.46Å; F253-Y266 HydrophobicContact CZ-CG 3.46Å; F253-Y266 VanDerWaalsContact CZ-CG 3.46Å; F253-I278 HydrophobicContact CB-CD1 3.93Å; F253-I278 HydrophobicContact CD2-CD1 4.05Å; F253-I278 HydrophobicContact CD2-CG2 4.01Å; F253-I278 HydrophobicContact CE2-CG2 4.27Å; F253-I278 HydrophobicContact CG-CD1 4.48Å
254Y75.6Confident74.8Confident173 Ų17386.3 Ų86.368%0.67845%0.454SS*.THydrogen-bonded Turntrans49.441.8-174.6-63.5-79.5000114.4R256 Y266Y254-R256 PolarHBondContact O-N 2.8Å; Y254-Y266 HydrophobicContact CD2-CE2 4.1Å; Y254-Y266 AromaticContact CE2-CE1 3.78Å; Y254-Y266 HydrophobicContact CE2-CE1 3.78Å; Y254-Y266 AromaticContact CE2-CE2 3.88Å; Y254-Y266 HydrophobicContact CE2-CE2 3.88Å; Y254-Y266 AromaticContact CE2-CZ 3.41Å; Y254-Y266 VanDerWaalsContact CE2-CZ 3.41Å; Y254-Y266 WeakPolarHBondContact CE2-OH 3.35Å; Y254-Y266 AromaticContact CZ-CZ 3.81Å; Y254-Y266 VanDerWaalsContact CZ-OH 3.27Å; Y254-Y266 PolarHBondContact OH-OH 3.39Å
255G72.4Confident75Confident65 Ų6587.4 Ų87.467%0.6746%0.46SS*.THydrogen-bonded Turntrans79.4-3.2178.700000114.7N252 F253N252-G255 WeakPolarHBondContact OD1-CA 3.46Å; N252-G255 PolarHBondContact OD1-N 2.78Å; N252-G255 VanDerWaalsContact OD1-N 3.13Å; F253-G255 VanDerWaalsContact C-N 3.27Å; F253-G255 PolarHBondContact O-N 3.02Å
256R61.3Low74.8Confident177 Ų17783.2 Ų83.267%0.66844%0.438SS*.EExtended strand (participates in β ladder)trans-93.1138.7167.8-66.3-174.1-179.2-1660.3110.1N252 F253 Y254 Y258N252-R256 WeakPolarHBondContact CA-O 3.34Å; F253-R256 PolarHBondContact N-O 3.22Å; F253-R256 PolarHBondContact O-N 3.47Å; Y254-R256 PolarHBondContact O-N 2.8Å; R256-Y258 HydrophobicContact CB-CD2 4.4Å; R256-Y258 HydrophobicContact CB-CE2 3.72Å
257I70.9Confident74.3Confident134 Ų13482 Ų8269%0.68743%0.432SS*.EExtended strand (participates in β ladder)trans-95.9125.8175.8-56.9176.5000108A250 C251A250-I257 HydrophobicContact CB-CG2 3.71Å; C251-I257 CarbonylContact O-C 3.58Å; C251-I257 WeakPolarHBondContact O-CA 3.44Å
258Y72.4Confident73.5Confident40 Ų4079.9 Ų79.916%0.15743%0.434CS..EExtended strand (participates in β ladder)trans-111.4133.8174.5-66.6-92.8000108.3A250 C251 F253 R256 D262 W264A250-Y258 CarbonylContact C-O 3.55Å; A250-Y258 WeakPolarHBondContact CA-O 3.44Å; A250-Y258 VanDerWaalsContact CB-O 3.29Å; A250-Y258 WeakPolarHBondContact CB-O 3.26Å; C251-Y258 PolarHBondContact N-O 3.09Å; C251-Y258 PolarHBondContact O-N 3.5Å; F253-Y258 HydrophobicContact CB-CD2 3.9Å; F253-Y258 HydrophobicContact CB-CE2 3.76Å; F253-Y258 AromaticContact CD1-CE2 3.98Å; F253-Y258 HydrophobicContact CD1-CE2 3.98Å; F253-Y258 HydrophobicContact CG-CE2 4.35Å; R256-Y258 HydrophobicContact CB-CD2 4.4Å; R256-Y258 HydrophobicContact CB-CE2 3.72Å; Y258-D262 HydrophobicContact CD1-CB 4.38Å; Y258-W264 HydrophobicContact CD1-CB 4.31Å; Y258-W264 AromaticContact CD1-CD2 3.61Å; Y258-W264 HydrophobicContact CD1-CD2 3.61Å; Y258-W264 AromaticContact CD1-CE3 3.34Å; Y258-W264 HydrophobicContact CD1-CE3 3.34Å; Y258-W264 HydrophobicContact CD1-CG 4.06Å; Y258-W264 AromaticContact CD1-CZ3 3.84Å; Y258-W264 HydrophobicContact CD1-CZ3 3.84Å; Y258-W264 HydrophobicContact CD2-CD2 4.37Å; Y258-W264 HydrophobicContact CD2-CE3 4.41Å; Y258-W264 HydrophobicContact CD2-CH2 4.25Å; Y258-W264 HydrophobicContact CD2-CZ2 4.18Å; Y258-W264 HydrophobicContact CD2-CZ3 4.35Å; Y258-W264 HydrophobicContact CE1-CB 3.62Å; Y258-W264 AromaticContact CE1-CD2 3.49Å; Y258-W264 HydrophobicContact CE1-CD2 3.49Å; Y258-W264 VanDerWaalsContact CE1-CD2 3.49Å; Y258-W264 AromaticContact CE1-CE3 3.75Å; Y258-W264 HydrophobicContact CE1-CE3 3.75Å; Y258-W264 AromaticContact CE1-CG 3.45Å; Y258-W264 HydrophobicContact CE1-CG 3.45Å; Y258-W264 VanDerWaalsContact CE1-CG 3.45Å; Y258-W264 HydrophobicContact CE2-CD2 4.29Å; Y258-W264 HydrophobicContact CE2-CZ2 4.41Å; Y258-W264 HydrophobicContact CG-CD2 4.04Å; Y258-W264 AromaticContact CG-CE3 3.7Å; Y258-W264 HydrophobicContact CG-CE3 3.7Å; Y258-W264 HydrophobicContact CG-CH2 4.04Å; Y258-W264 HydrophobicContact CG-CZ2 4.33Å; Y258-W264 AromaticContact CG-CZ3 3.7Å; Y258-W264 HydrophobicContact CG-CZ3 3.7Å; Y258-W264 AromaticContact CZ-CD1 3.86Å; Y258-W264 AromaticContact CZ-CD2 3.84Å; Y258-W264 AromaticContact CZ-CG 3.76Å
259D75.8Confident72.8Confident62 Ų6281 Ų8133%0.33244%0.436SS..  trans-69.6170.2179.8-151.8-9.5000111.4K247 D262 C273K247-D259 WeakPolarHBondContact CE-OD1 3.16Å; K247-D259 IonicContact NZ-OD1 2.73Å; K247-D259 PolarHBondContact NZ-OD1 3.46Å; K247-D259 IonicContact NZ-OD2 2.72Å; K247-D259 PolarHBondContact NZ-OD2 2.92Å; D259-D262 PolarHBondContact N-OD2 2.85Å; D259-D262 WeakPolarHBondContact O-CB 3.35Å; D259-D262 PolarHBondContact O-N 3.36Å; D259-C273 WeakPolarHBondContact O-CB 3.23Å
260H80.5Confident72.1Confident59 Ų5983.1 Ų83.127%0.27343%0.433SS..THydrogen-bonded Turntrans-64.1142.2172.9108.680.9000110.7P248 D262P248-H260 HydrophobicContact CB-CB 3.85Å; P248-H260 HydrophobicContact CG-CB 4.2Å; H260-D262 PolarHBondContact O-N 2.99Å; H260-D262 VanDerWaalsContact O-N 3.13Å
261D83.1Confident71.9Confident96 Ų9680.8 Ų80.851%0.51341%0.414SS..THydrogen-bonded Turntrans63.82.2-175-58.22.1000115.4N263 C273D261-N263 PolarHBondContact O-N 3.28Å; D261-N263 PolarHBondContact O-ND2 3.26Å; D261-C273 WeakPolarHBondContact CA-O 3.06Å; D261-C273 PolarHBondContact N-O 2.03Å
262D77.7Confident72.2Confident70 Ų7083.6 Ų83.637%0.37443%0.427SS..  trans-57.3140.3169.2-90.9-12.1000110.9Y258 D259 H260 W264 H272 C273Y258-D262 HydrophobicContact CD1-CB 4.38Å; D259-D262 PolarHBondContact N-OD2 2.85Å; D259-D262 WeakPolarHBondContact O-CB 3.35Å; D259-D262 PolarHBondContact O-N 3.36Å; H260-D262 PolarHBondContact O-N 2.99Å; H260-D262 VanDerWaalsContact O-N 3.13Å; D262-W264 HydrophobicContact CB-CE3 4.5Å; D262-W264 WeakPolarHBondContact O-CZ3 3.43Å; D262-H272 CarbonylContact O-C 3.52Å; D262-H272 WeakPolarHBondContact O-CA 3.21Å; D262-H272 WeakPolarHBondContact O-CB 3.05Å; D262-C273 PolarHBondContact O-N 2.98Å
263N80.7Confident72.6Confident85 Ų8578.3 Ų78.346%0.45540%0.399SS..EExtended strand (participates in β ladder)trans-119.8131.7177.6-82-115.1000109.1D261 R270 C271D261-N263 PolarHBondContact O-N 3.28Å; D261-N263 PolarHBondContact O-ND2 3.26Å; N263-R270 PolarHBondContact OD1-NE 2.9Å; N263-R270 PolarHBondContact OD1-NH2 3.38Å; N263-C271 CarbonylContact C-O 3.48Å; N263-C271 WeakPolarHBondContact CA-O 3.04Å
264W76.1Confident73.4Confident22 Ų2280.1 Ų80.18%0.08341%0.41CS..EExtended strand (participates in β ladder)trans-139.3167.8174.865.7101.9000111.6C251 F253 Y258 D262 C271 C273 I278C251-W264 HydrophobicContact CB-CH2 4.37Å; F253-W264 HydrophobicContact CB-CZ2 3.97Å; F253-W264 AromaticContact CD1-CE2 3.86Å; F253-W264 HydrophobicContact CD1-CZ2 4.11Å; F253-W264 AromaticContact CD1-NE1 3.18Å; F253-W264 HydrophobicContact CD2-CZ2 4.24Å; F253-W264 AromaticContact CE1-CD1 3.91Å; F253-W264 AromaticContact CE1-NE1 3.14Å; F253-W264 AromaticContact CG-CZ2 3.87Å; F253-W264 HydrophobicContact CG-CZ2 3.87Å; F253-W264 AromaticContact CG-NE1 3.84Å; F253-W264 AromaticContact CZ-NE1 3.76Å; Y258-W264 HydrophobicContact CD1-CB 4.31Å; Y258-W264 AromaticContact CD1-CD2 3.61Å; Y258-W264 HydrophobicContact CD1-CD2 3.61Å; Y258-W264 AromaticContact CD1-CE3 3.34Å; Y258-W264 HydrophobicContact CD1-CE3 3.34Å; Y258-W264 HydrophobicContact CD1-CG 4.06Å; Y258-W264 AromaticContact CD1-CZ3 3.84Å; Y258-W264 HydrophobicContact CD1-CZ3 3.84Å; Y258-W264 HydrophobicContact CD2-CD2 4.37Å; Y258-W264 HydrophobicContact CD2-CE3 4.41Å; Y258-W264 HydrophobicContact CD2-CH2 4.25Å; Y258-W264 HydrophobicContact CD2-CZ2 4.18Å; Y258-W264 HydrophobicContact CD2-CZ3 4.35Å; Y258-W264 HydrophobicContact CE1-CB 3.62Å; Y258-W264 AromaticContact CE1-CD2 3.49Å; Y258-W264 HydrophobicContact CE1-CD2 3.49Å; Y258-W264 VanDerWaalsContact CE1-CD2 3.49Å; Y258-W264 AromaticContact CE1-CE3 3.75Å; Y258-W264 HydrophobicContact CE1-CE3 3.75Å; Y258-W264 AromaticContact CE1-CG 3.45Å; Y258-W264 HydrophobicContact CE1-CG 3.45Å; Y258-W264 VanDerWaalsContact CE1-CG 3.45Å; Y258-W264 HydrophobicContact CE2-CD2 4.29Å; Y258-W264 HydrophobicContact CE2-CZ2 4.41Å; Y258-W264 HydrophobicContact CG-CD2 4.04Å; Y258-W264 AromaticContact CG-CE3 3.7Å; Y258-W264 HydrophobicContact CG-CE3 3.7Å; Y258-W264 HydrophobicContact CG-CH2 4.04Å; Y258-W264 HydrophobicContact CG-CZ2 4.33Å; Y258-W264 AromaticContact CG-CZ3 3.7Å; Y258-W264 HydrophobicContact CG-CZ3 3.7Å; Y258-W264 AromaticContact CZ-CD1 3.86Å; Y258-W264 AromaticContact CZ-CD2 3.84Å; Y258-W264 AromaticContact CZ-CG 3.76Å; D262-W264 HydrophobicContact CB-CE3 4.5Å; D262-W264 WeakPolarHBondContact O-CZ3 3.43Å; W264-C271 HydrophobicContact CD2-CB 3.77Å; W264-C271 HydrophobicContact CE3-CB 4.44Å; W264-C271 HydrophobicContact CG-CB 4.12Å; W264-C271 HydrophobicContact CH2-CB 4.33Å; W264-C271 HydrophobicContact CZ2-CB 3.64Å; W264-C271 PolarHBondContact N-O 3.25Å; W264-C271 PolarHBondContact O-N 3.05Å; W264-C273 HydrophobicContact CH2-CB 4.23Å; W264-C273 HydrophobicContact CZ3-CB 3.94Å; W264-I278 HydrophobicContact CH2-CG1 4.09Å; W264-I278 HydrophobicContact CH2-CG2 4.16Å; W264-I278 HydrophobicContact CZ2-CG1 4.2Å; W264-I278 HydrophobicContact CZ2-CG2 3.77Å
265T63.7Low74Confident112 Ų11278.6 Ų78.669%0.68741%0.406SS*.EExtended strand (participates in β ladder)trans-113.6133.2173.351.50000109.8Q269T265-Q269 CarbonylContact C-O 3.59Å; T265-Q269 VanDerWaalsContact CA-O 3.3Å; T265-Q269 WeakPolarHBondContact CA-O 3.02Å
266Y62.4Low74.7Confident91 Ų9177 Ų7736%0.35739%0.39SS..EExtended strand (participates in β ladder)trans-142.4128.5177.4176.3-96.7000109.5F253 Y254 C268 Q269F253-Y266 HydrophobicContact CE1-CD1 4.14Å; F253-Y266 AromaticContact CE1-CD2 3.67Å; F253-Y266 HydrophobicContact CE1-CD2 3.67Å; F253-Y266 HydrophobicContact CE1-CE2 4.29Å; F253-Y266 AromaticContact CE1-CG 3.57Å; F253-Y266 HydrophobicContact CE1-CG 3.57Å; F253-Y266 AromaticContact CZ-CD1 3.54Å; F253-Y266 HydrophobicContact CZ-CD1 3.54Å; F253-Y266 AromaticContact CZ-CD2 3.94Å; F253-Y266 HydrophobicContact CZ-CD2 3.94Å; F253-Y266 HydrophobicContact CZ-CE1 4.05Å; F253-Y266 HydrophobicContact CZ-CE2 4.41Å; F253-Y266 AromaticContact CZ-CG 3.46Å; F253-Y266 HydrophobicContact CZ-CG 3.46Å; F253-Y266 VanDerWaalsContact CZ-CG 3.46Å; Y254-Y266 HydrophobicContact CD2-CE2 4.1Å; Y254-Y266 AromaticContact CE2-CE1 3.78Å; Y254-Y266 HydrophobicContact CE2-CE1 3.78Å; Y254-Y266 AromaticContact CE2-CE2 3.88Å; Y254-Y266 HydrophobicContact CE2-CE2 3.88Å; Y254-Y266 AromaticContact CE2-CZ 3.41Å; Y254-Y266 VanDerWaalsContact CE2-CZ 3.41Å; Y254-Y266 WeakPolarHBondContact CE2-OH 3.35Å; Y254-Y266 AromaticContact CZ-CZ 3.81Å; Y254-Y266 VanDerWaalsContact CZ-OH 3.27Å; Y254-Y266 PolarHBondContact OH-OH 3.39Å; Y266-C268 PolarHBondContact O-N 3.43Å; Y266-Q269 PolarHBondContact N-O 3.46Å; Y266-Q269 WeakPolarHBondContact O-CA 3.48Å; Y266-Q269 WeakPolarHBondContact O-CB 3.43Å; Y266-Q269 PolarHBondContact O-N 3.2Å
267S57.5Low76.1Confident97 Ų9774.5 Ų74.568%0.67839%0.386SS*.THydrogen-bonded Turntrans45.552.7173.1-168.70000114.8Q269S267-Q269 PolarHBondContact O-N 2.81Å
268C50.5Low76.9Confident93 Ų9370.9 Ų70.963%0.62837%0.367SS*.THydrogen-bonded Turntrans63.69.5-176.1-59.80000116.2Y266 V283Y266-C268 PolarHBondContact O-N 3.43Å; C268-V283 VanDerWaalsContact O-CB 3.28Å; C268-V283 WeakPolarHBondContact O-CB 3.14Å; C268-V283 WeakPolarHBondContact O-CG2 3.3Å; C268-V283 PolarHBondContact O-N 3.34Å
269Q63.5Low77.8Confident56 Ų5671.4 Ų71.426%0.26237%0.372SS..EExtended strand (participates in β ladder)trans-104.3149.4171.9-53.5-173.8-39.500110.8T265 Y266 S267 C280 T281 D282T265-Q269 CarbonylContact C-O 3.59Å; T265-Q269 VanDerWaalsContact CA-O 3.3Å; T265-Q269 WeakPolarHBondContact CA-O 3.02Å; Y266-Q269 PolarHBondContact N-O 3.46Å; Y266-Q269 WeakPolarHBondContact O-CA 3.48Å; Y266-Q269 WeakPolarHBondContact O-CB 3.43Å; Y266-Q269 PolarHBondContact O-N 3.2Å; S267-Q269 PolarHBondContact O-N 2.81Å; Q269-C280 HydrophobicContact CB-CB 4.13Å; Q269-T281 CarbonylContact C-O 3.6Å; Q269-T281 VanDerWaalsContact CA-O 3.26Å; Q269-T281 WeakPolarHBondContact CA-O 3.3Å; Q269-D282 WeakPolarHBondContact CG-OD1 3.38Å; Q269-D282 PolarHBondContact NE2-OD1 3.05Å
270R68.7Low78.1Confident126 Ų12670.6 Ų70.648%0.47537%0.371SS..EExtended strand (participates in β ladder)trans-97.7113.5164.9-172.3-177.6-176.895.73108N263 C280 T281 V283N263-R270 PolarHBondContact OD1-NE 2.9Å; N263-R270 PolarHBondContact OD1-NH2 3.38Å; R270-C280 WeakPolarHBondContact O-CA 3.41Å; R270-T281 PolarHBondContact N-O 2.96Å; R270-T281 PolarHBondContact O-N 3.36Å; R270-T281 PolarHBondContact O-OG1 2.97Å; R270-V283 HydrophobicContact CB-CG2 4.03Å
271C80.3Confident78.1Confident0 Ų071.4 Ų71.40%038%0.38CS..EExtended strand (participates in β ladder)trans-101.2148.1178.1-59.90000110.8N263 W264 I279 C280N263-C271 CarbonylContact C-O 3.48Å; N263-C271 WeakPolarHBondContact CA-O 3.04Å; W264-C271 HydrophobicContact CD2-CB 3.77Å; W264-C271 HydrophobicContact CE3-CB 4.44Å; W264-C271 HydrophobicContact CG-CB 4.12Å; W264-C271 HydrophobicContact CH2-CB 4.33Å; W264-C271 HydrophobicContact CZ2-CB 3.64Å; W264-C271 PolarHBondContact N-O 3.25Å; W264-C271 PolarHBondContact O-N 3.05Å; C271-I279 CarbonylContact C-O 3.59Å; C271-I279 VanDerWaalsContact CA-O 3.27Å; C271-I279 WeakPolarHBondContact CA-O 3.22Å; C271-C280 HydrophobicContact CB-CB 4.12Å; C271-C280 WeakPolarHBondContact CB-SG 3.49Å; C271-C280 WeakPolarHBondContact SG-CB 3.33Å; C271-C280 CovalentContact SG-SG 2.04Å; C271-C280 PolarHBondContact SG-SG 3.06Å
272H88.7Confident77Confident61 Ų6172.4 Ų72.428%0.28239%0.386SS..EExtended strand (participates in β ladder)trans-141.6154.116972.898.6000111.9D262 I279D262-H272 CarbonylContact O-C 3.52Å; D262-H272 WeakPolarHBondContact O-CA 3.21Å; D262-H272 WeakPolarHBondContact O-CB 3.05Å; H272-I279 PolarHBondContact CD2-O 2.72Å; H272-I279 PolarHBondContact N-O 2.94Å; H272-I279 PolarHBondContact O-N 3.08Å
273C88.3Confident75.9Confident0 Ų072.2 Ų72.20%039%0.386CS..EExtended strand (participates in β ladder)trans-91.5111.3176.3-172.50000110.5C251 D259 D261 D262 W264C251-C273 HydrophobicContact CB-CB 3.74Å; C251-C273 WeakPolarHBondContact CB-SG 3.29Å; C251-C273 PolarHBondContact N-SG 3.34Å; C251-C273 VanDerWaalsContact N-SG 3.36Å; C251-C273 WeakPolarHBondContact SG-CA 3.42Å; C251-C273 WeakPolarHBondContact SG-CB 3.35Å; C251-C273 CovalentContact SG-SG 2.03Å; C251-C273 PolarHBondContact SG-SG 2.75Å; D259-C273 WeakPolarHBondContact O-CB 3.23Å; D261-C273 WeakPolarHBondContact CA-O 3.06Å; D261-C273 PolarHBondContact N-O 2.03Å; D262-C273 PolarHBondContact O-N 2.98Å; W264-C273 HydrophobicContact CH2-CB 4.23Å; W264-C273 HydrophobicContact CZ3-CB 3.94Å
274N92.6Very high74.2Confident64 Ų6474.2 Ų74.234%0.34240%0.402SS..EExtended strand (participates in β ladder)trans-105.793.6172.9-17916000109.2G276 Q277 I279N274-G276 VanDerWaalsContact C-N 3.34Å; N274-G276 PolarHBondContact O-N 2.92Å; N274-Q277 PolarHBondContact N-O 2.93Å; N274-Q277 WeakPolarHBondContact O-CB 3.48Å; N274-Q277 PolarHBondContact O-N 3.3Å; N274-I279 HydrophobicContact CB-CD1 3.67Å; N274-I279 HydrophobicContact CB-CG1 4.33Å
275K87.8Confident72.5Confident140 Ų14077.2 Ų77.261%0.60942%0.419SS*.THydrogen-bonded Turntrans48.551.3176.9-51.3-169.4178.6-170.80113P248 P249 Q277P248-K275 HydrophobicContact CB-CB 3.99Å; P248-K275 HydrophobicContact CB-CD 4.47Å; P248-K275 HydrophobicContact CB-CG 3.84Å; P248-K275 HydrophobicContact CG-CG 4.25Å; P249-K275 WeakPolarHBondContact CG-O 3.21Å; P249-K275 CarbonylContact O-C 3.51Å; K275-Q277 VanDerWaalsContact C-N 3.29Å; K275-Q277 PolarHBondContact O-N 2.95Å
276G85.4Confident71.3Confident31 Ų3174.8 Ų74.832%0.3241%0.407SS..THydrogen-bonded Turntrans85.5-12.8-179.700000115P249 C251 N274P249-G276 WeakPolarHBondContact O-CA 3.02Å; P249-G276 PolarHBondContact O-N 3.3Å; C251-G276 VanDerWaalsContact SG-CA 3.54Å; N274-G276 VanDerWaalsContact C-N 3.34Å; N274-G276 PolarHBondContact O-N 2.92Å
277Q91.2Very high70.2Confident126 Ų12674.4 Ų74.459%0.58942%0.418SS*.EExtended strand (participates in β ladder)trans-89.5127.1171.8-172.7176.83.400110.7N274 K275 I279N274-Q277 PolarHBondContact N-O 2.93Å; N274-Q277 WeakPolarHBondContact O-CB 3.48Å; N274-Q277 PolarHBondContact O-N 3.3Å; K275-Q277 VanDerWaalsContact C-N 3.29Å; K275-Q277 PolarHBondContact O-N 2.95Å; Q277-I279 HydrophobicContact CG-CG1 4.22Å
278I88Confident69.2Low58 Ų5877.8 Ų77.830%0.29743%0.427SS..EExtended strand (participates in β ladder)trans-83.2122.8173.4-64.3147.8000108.5C251 N252 F253 W264C251-I278 HydrophobicContact CB-CD1 4.18Å; C251-I278 HydrophobicContact CB-CG1 3.64Å; N252-I278 VanDerWaalsContact O-CD1 3.31Å; N252-I278 WeakPolarHBondContact O-CD1 3.34Å; F253-I278 HydrophobicContact CB-CD1 3.93Å; F253-I278 HydrophobicContact CD2-CD1 4.05Å; F253-I278 HydrophobicContact CD2-CG2 4.01Å; F253-I278 HydrophobicContact CE2-CG2 4.27Å; F253-I278 HydrophobicContact CG-CD1 4.48Å; W264-I278 HydrophobicContact CH2-CG1 4.09Å; W264-I278 HydrophobicContact CH2-CG2 4.16Å; W264-I278 HydrophobicContact CZ2-CG1 4.2Å; W264-I278 HydrophobicContact CZ2-CG2 3.77Å
279I90.8Very high68.7Low51 Ų5176.7 Ų76.726%0.26242%0.415SS..EExtended strand (participates in β ladder)trans-120112.2177.7-59.2179.2000107.6C271 H272 N274 Q277C271-I279 CarbonylContact C-O 3.59Å; C271-I279 VanDerWaalsContact CA-O 3.27Å; C271-I279 WeakPolarHBondContact CA-O 3.22Å; H272-I279 PolarHBondContact CD2-O 2.72Å; H272-I279 PolarHBondContact N-O 2.94Å; H272-I279 PolarHBondContact O-N 3.08Å; N274-I279 HydrophobicContact CB-CD1 3.67Å; N274-I279 HydrophobicContact CB-CG1 4.33Å; Q277-I279 HydrophobicContact CG-CG1 4.22Å
280C83.7Confident67.8Low44 Ų4480.5 Ų80.530%0.29744%0.437SS..EExtended strand (participates in β ladder)trans-109.1132177.1-59.80000110.2Q269 R270 C271Q269-C280 HydrophobicContact CB-CB 4.13Å; R270-C280 WeakPolarHBondContact O-CA 3.41Å; C271-C280 HydrophobicContact CB-CB 4.12Å; C271-C280 WeakPolarHBondContact CB-SG 3.49Å; C271-C280 WeakPolarHBondContact SG-CB 3.33Å; C271-C280 CovalentContact SG-SG 2.04Å; C271-C280 PolarHBondContact SG-SG 3.06Å
281T79.4Confident66.4Low77 Ų7780.8 Ų80.847%0.47244%0.444SS..EExtended strand (participates in β ladder)trans-113.8133.2173.255.20000109.9Q269 R270 V283Q269-T281 CarbonylContact C-O 3.6Å; Q269-T281 VanDerWaalsContact CA-O 3.26Å; Q269-T281 WeakPolarHBondContact CA-O 3.3Å; R270-T281 PolarHBondContact N-O 2.96Å; R270-T281 PolarHBondContact O-N 3.36Å; R270-T281 PolarHBondContact O-OG1 2.97Å; T281-V283 PolarHBondContact O-N 3.09Å
282D60.6Low64.7Low117 Ų11785.8 Ų85.863%0.62647%0.469SS*.EExtended strand (participates in β ladder)trans-62.2127.1174.9-64.6-50.3000110.3Q269 T284Q269-D282 WeakPolarHBondContact CG-OD1 3.38Å; Q269-D282 PolarHBondContact NE2-OD1 3.05Å; D282-T284 PolarHBondContact O-N 2.86Å
283V54.2Low62.5Low65 Ų6587.7 Ų87.739%0.39447%0.474SS..  trans-82.797.4168.9-169.60000106.4C268 R270 T281 L285C268-V283 VanDerWaalsContact O-CB 3.28Å; C268-V283 WeakPolarHBondContact O-CB 3.14Å; C268-V283 WeakPolarHBondContact O-CG2 3.3Å; C268-V283 PolarHBondContact O-N 3.34Å; R270-V283 HydrophobicContact CB-CG2 4.03Å; T281-V283 PolarHBondContact O-N 3.09Å; V283-L285 VanDerWaalsContact C-N 3.28Å; V283-L285 HydrophobicContact CB-CG 4.38Å; V283-L285 HydrophobicContact CG1-CD2 3.69Å; V283-L285 HydrophobicContact CG1-CG 3.96Å; V283-L285 WeakPolarHBondContact O-CG 3.43Å; V283-L285 PolarHBondContact O-N 3.45Å
284T44.1Very low60.6Low128 Ų12893.4 Ų93.479%0.78550%0.503SS*.  trans-6987.7174.5540000110.2D282 S286D282-T284 PolarHBondContact O-N 2.86Å; T284-S286 PolarHBondContact O-N 3.45Å
285L40.9Very low58.5Low85 Ų8591 Ų9145%0.44549%0.494SS..  trans-77.887.6-179.6-66.1162.3000109.9V283 S287 F303V283-L285 VanDerWaalsContact C-N 3.28Å; V283-L285 HydrophobicContact CB-CG 4.38Å; V283-L285 HydrophobicContact CG1-CD2 3.69Å; V283-L285 HydrophobicContact CG1-CG 3.96Å; V283-L285 WeakPolarHBondContact O-CG 3.43Å; V283-L285 PolarHBondContact O-N 3.45Å; L285-S287 PolarHBondContact O-N 2.91Å; L285-S287 VanDerWaalsContact O-N 3.09Å; L285-F303 HydrophobicContact CB-CE2 3.99Å; L285-F303 HydrophobicContact CB-CZ 3.63Å; L285-F303 HydrophobicContact CD1-CZ 4.02Å; L285-F303 HydrophobicContact CD2-CE2 3.51Å; L285-F303 HydrophobicContact CD2-CZ 3.69Å; L285-F303 HydrophobicContact CG-CE2 4.2Å; L285-F303 HydrophobicContact CG-CZ 3.93Å
286S38.8Very low56.3Low61 Ų6191.6 Ų91.643%0.42751%0.512SS..  trans-62.8108.2173.5151.20000110.1T284 R293T284-S286 PolarHBondContact O-N 3.45Å; S286-R293 PolarHBondContact O-NH2 2.85Å; S286-R293 PolarHBondContact OG-NH2 3.5Å
287S38.3Very low54.4Low83 Ų8393.7 Ų93.758%0.5852%0.516SS*.  trans-11742.8-165.470.10000113.9L285L285-S287 PolarHBondContact O-N 2.91Å; L285-S287 VanDerWaalsContact O-N 3.09Å
288L37.7Very low51.9Low167 Ų16790.3 Ų90.387%0.87452%0.515SS*.SBendtrans-107.73.2-176.5-81.5164.9000113.9
289N38.7Very low49.4Very low71 Ų7195.3 Ų95.338%0.3853%0.53SS..SBendtrans-165.7117.8-17244.3-11.6000109.8Q291N289-Q291 HydrophobicContact CB-CG 4.35Å; N289-Q291 PolarHBondContact O-N 3.36Å
290D44.7Very low46.9Very low135 Ų13599.6 Ų99.672%0.72255%0.549SS*.  trans-72.245.4-173.7-51.5-65.8000114.1
291Q40.5Very low44.8Very low133 Ų133103.3 Ų103.362%0.62156%0.558SS**PPolyproline II helixtrans-92.3132.5-175-65.8-168.6-14.200111.2N289 R293N289-Q291 HydrophobicContact CB-CG 4.35Å; N289-Q291 PolarHBondContact O-N 3.36Å; Q291-R293 PolarHBondContact O-N 2.7Å
292I44.8Very low42.9Very low104 Ų104103.6 Ų103.653%0.53356%0.563SS.*PPolyproline II helixtrans-58120.8166.3-60166.5000107.7E300 Y301I292-E300 HydrophobicContact CG2-CB 3.72Å; I292-E300 HydrophobicContact CG2-CG 3.77Å; I292-Y301 WeakPolarHBondContact CA-O 3.26Å
293R42.7Very low42.1Very low102 Ų102101.5 Ų101.539%0.38555%0.548SS..EExtended strand (participates in β ladder)trans-99.3132.6177.1-62.2-173.5179.7-153.4-5.9109.3S286 Q291 E300 Y301S286-R293 PolarHBondContact O-NH2 2.85Å; S286-R293 PolarHBondContact OG-NH2 3.5Å; Q291-R293 PolarHBondContact O-N 2.7Å; R293-E300 CarbonylContact O-C 3.59Å; R293-Y301 PolarHBondContact N-O 2.69Å; R293-Y301 PolarHBondContact O-N 3.31Å
294I48.5Very low41.7Very low119 Ų119102.5 Ų102.561%0.6155%0.551SS**EExtended strand (participates in β ladder)trans-94.2123.6172.9-58.8173.3000107.9R299 E300I294-R299 CarbonylContact C-O 3.52Å; I294-R299 WeakPolarHBondContact CA-O 3.19Å; I294-E300 HydrophobicContact CG1-CG 4.01Å
295G47.4Very low41.6Very low15 Ų15100.9 Ų100.916%0.15553%0.534CS..PPolyproline II helixtrans-72.4167.8177.300000113.2D297 G298 R299G295-D297 PolarHBondContact O-N 2.92Å; G295-D297 VanDerWaalsContact O-N 3.1Å; G295-G298 PolarHBondContact O-N 3.44Å; G295-R299 PolarHBondContact N-O 2.72Å
296P42.2Very low41.7Very low151 Ų151102.4 Ų102.498%0.98154%0.539SS*.THydrogen-bonded Turntrans-64.4-11.8175.628.5-35.4000113.5
297D44.6Very low42Very low76 Ų76104.7 Ų104.741%0.40655%0.546SS..THydrogen-bonded Turntrans-96.15.6173.461.2-8.5000113.5G295 R299G295-D297 PolarHBondContact O-N 2.92Å; G295-D297 VanDerWaalsContact O-N 3.1Å; D297-R299 VanDerWaalsContact C-N 3.3Å; D297-R299 PolarHBondContact O-N 3.21Å; D297-R299 PolarHBondContact OD1-N 3.25Å; D297-R299 IonicContact OD2-CZ 2.79Å; D297-R299 IonicContact OD2-NE 2.94Å; D297-R299 PolarHBondContact OD2-NE 2.9Å; D297-R299 IonicContact OD2-NH2 3.92Å; D297-R299 PolarHBondContact OD2-NH2 2.73Å
298G40Very low42.2Very low55 Ų55101.6 Ų101.657%0.56753%0.525SS*.SBendtrans77.75.6-179.500000115.1G295G295-G298 PolarHBondContact O-N 3.44Å
299R34.7Very low42.6Very low163 Ų163101.1 Ų101.162%0.61551%0.512SS*.  trans-82138.1177.8-77.5-173.4-83.8-142.7-8.7112.1I294 G295 D297 Y301I294-R299 CarbonylContact C-O 3.52Å; I294-R299 WeakPolarHBondContact CA-O 3.19Å; G295-R299 PolarHBondContact N-O 2.72Å; D297-R299 VanDerWaalsContact C-N 3.3Å; D297-R299 PolarHBondContact O-N 3.21Å; D297-R299 PolarHBondContact OD1-N 3.25Å; D297-R299 IonicContact OD2-CZ 2.79Å; D297-R299 IonicContact OD2-NE 2.94Å; D297-R299 PolarHBondContact OD2-NE 2.9Å; D297-R299 IonicContact OD2-NH2 3.92Å; D297-R299 PolarHBondContact OD2-NH2 2.73Å; R299-Y301 HydrophobicContact CB-CE2 3.95Å; R299-Y301 WeakPolarHBondContact O-CD2 3.08Å; R299-Y301 VanDerWaalsContact O-CE2 3.27Å; R299-Y301 WeakPolarHBondContact O-CE2 3.27Å
300E38.9Very low43.1Very low141 Ų141101.7 Ų101.766%0.65952%0.515SS*.EExtended strand (participates in β ladder)trans-82.7129.2173.8-76.2178.8-165.100111.3I292 R293 I294I292-E300 HydrophobicContact CG2-CB 3.72Å; I292-E300 HydrophobicContact CG2-CG 3.77Å; R293-E300 CarbonylContact O-C 3.59Å; I294-E300 HydrophobicContact CG1-CG 4.01Å
301Y38.5Very low43.3Very low122 Ų12298.8 Ų98.848%0.47850%0.499SS..EExtended strand (participates in β ladder)trans-116.2106.4177.1-62.6-92.6000108.7I292 R293 R299I292-Y301 WeakPolarHBondContact CA-O 3.26Å; R293-Y301 PolarHBondContact N-O 2.69Å; R293-Y301 PolarHBondContact O-N 3.31Å; R299-Y301 HydrophobicContact CB-CE2 3.95Å; R299-Y301 WeakPolarHBondContact O-CD2 3.08Å; R299-Y301 VanDerWaalsContact O-CE2 3.27Å; R299-Y301 WeakPolarHBondContact O-CE2 3.27Å
302S39.9Very low43.6Very low82 Ų8294 Ų9457%0.57348%0.48SS*.  trans-89.2144.8168.162.90000110.5I304S302-I304 PolarHBondContact O-N 3.41Å
303F44.7Very low43.8Very low74 Ų7495.5 Ų95.533%0.32548%0.482SS..  trans-84.3100.4-173.1-141.1-91.4000111.6L285 H305L285-F303 HydrophobicContact CB-CE2 3.99Å; L285-F303 HydrophobicContact CB-CZ 3.63Å; L285-F303 HydrophobicContact CD1-CZ 4.02Å; L285-F303 HydrophobicContact CD2-CE2 3.51Å; L285-F303 HydrophobicContact CD2-CZ 3.69Å; L285-F303 HydrophobicContact CG-CE2 4.2Å; L285-F303 HydrophobicContact CG-CZ 3.93Å; F303-H305 HydrophobicContact CD1-CB 3.49Å; F303-H305 VanDerWaalsContact CD1-CB 3.49Å; F303-H305 HydrophobicContact CE1-CB 3.44Å; F303-H305 VanDerWaalsContact CE1-CB 3.44Å; F303-H305 PolarHBondContact O-N 2.66Å; F303-H305 VanDerWaalsContact O-N 3.09Å
304I44.8Very low44.1Very low86 Ų8696.8 Ų96.844%0.44149%0.493SS..THydrogen-bonded Turntrans-66.8-10.2-173.6-69.3154.3000113.6S302 E306 L307 A308 I371S302-I304 PolarHBondContact O-N 3.41Å; I304-E306 PolarHBondContact O-N 3.28Å; I304-L307 PolarHBondContact O-N 3.25Å; I304-A308 HydrophobicContact CG2-CB 4.31Å; I304-A308 WeakPolarHBondContact O-CB 3.46Å; I304-A308 PolarHBondContact O-N 3.02Å; I304-I371 HydrophobicContact CD1-CD1 3.59Å; I304-I371 HydrophobicContact CG1-CD1 4.47Å
305H41.4Very low44Very low94 Ų9494.1 Ų94.144%0.43549%0.489SS..Hα-helixtrans-66.9-40.1-165.2-166.8-157.9000114.9F303 R309F303-H305 HydrophobicContact CD1-CB 3.49Å; F303-H305 VanDerWaalsContact CD1-CB 3.49Å; F303-H305 HydrophobicContact CE1-CB 3.44Å; F303-H305 VanDerWaalsContact CE1-CB 3.44Å; F303-H305 PolarHBondContact O-N 2.66Å; F303-H305 VanDerWaalsContact O-N 3.09Å; H305-R309 WeakPolarHBondContact O-CB 3.36Å; H305-R309 WeakPolarHBondContact O-CG 3.03Å; H305-R309 PolarHBondContact O-N 3.15Å
306E43.3Very low43.8Very low116 Ų11698.1 Ų98.154%0.54250%0.5SS..Hα-helixtrans-71.9-40.2177-168-179.8-166.900111.5I304 A308 R309 N310I304-E306 PolarHBondContact O-N 3.28Å; E306-A308 VanDerWaalsContact C-N 3.33Å; E306-A308 PolarHBondContact O-N 2.83Å; E306-R309 PolarHBondContact O-N 2.04Å; E306-N310 WeakPolarHBondContact O-CB 3.41Å; E306-N310 PolarHBondContact O-N 3.47Å; E306-N310 PolarHBondContact O-ND2 3.48Å
307L45.5Very low44.1Very low110 Ų11097 Ų9758%0.57649%0.485SS*.Hα-helixtrans-61.5-41.6173.5-179.460.9000111.5I304 N310 L311I304-L307 PolarHBondContact O-N 3.25Å; L307-N310 PolarHBondContact O-N 2.03Å; L307-L311 HydrophobicContact CD1-CD1 4.09Å; L307-L311 HydrophobicContact CD1-CG 4.35Å; L307-L311 HydrophobicContact CG-CD1 3.99Å; L307-L311 WeakPolarHBondContact O-CB 3.5Å; L307-L311 WeakPolarHBondContact O-CG 3.41Å; L307-L311 PolarHBondContact O-N 2.84Å
308A43.7Very low44Very low18 Ų1897.3 Ų97.315%0.14950%0.498CS..Hα-helixtrans-65.6-40.817500000112.2I304 E306 S312I304-A308 HydrophobicContact CG2-CB 4.31Å; I304-A308 WeakPolarHBondContact O-CB 3.46Å; I304-A308 PolarHBondContact O-N 3.02Å; E306-A308 VanDerWaalsContact C-N 3.33Å; E306-A308 PolarHBondContact O-N 2.83Å; A308-S312 WeakPolarHBondContact O-CB 3Å; A308-S312 PolarHBondContact O-N 3.19Å; A308-S312 PolarHBondContact O-OG 2.89Å
309R46Very low43.9Very low157 Ų15796.6 Ų96.659%0.59249%0.486SS*.Hα-helixtrans-60.3-49.8172.3-80.6179.8174.4-158-6.2111.3H305 E306 L311 S312 K313H305-R309 WeakPolarHBondContact O-CB 3.36Å; H305-R309 WeakPolarHBondContact O-CG 3.03Å; H305-R309 PolarHBondContact O-N 3.15Å; E306-R309 PolarHBondContact O-N 2.04Å; R309-L311 PolarHBondContact O-N 3.5Å; R309-S312 PolarHBondContact O-N 3.46Å; R309-S312 PolarHBondContact O-OG 2.97Å; R309-K313 WeakPolarHBondContact O-CB 3.16Å; R309-K313 PolarHBondContact O-N 2.91Å
310N49Very low43.7Very low83 Ų8394.5 Ų94.544%0.44450%0.497SS..Hα-helixtrans-63.6-43.9-179.1-70.3-21000111.8E306 L307 S312 K313 E314E306-N310 WeakPolarHBondContact O-CB 3.41Å; E306-N310 PolarHBondContact O-N 3.47Å; E306-N310 PolarHBondContact O-ND2 3.48Å; L307-N310 PolarHBondContact O-N 2.03Å; N310-S312 PolarHBondContact O-N 2.9Å; N310-K313 PolarHBondContact O-N 3.23Å; N310-E314 PolarHBondContact O-N 2.87Å
311L47.8Very low43.5Very low74 Ų7492 Ų9239%0.38749%0.491SS..Hα-helixtrans-62.8-38.5173.3-77166.3000112.9L307 R309 K313 A315L307-L311 HydrophobicContact CD1-CD1 4.09Å; L307-L311 HydrophobicContact CD1-CG 4.35Å; L307-L311 HydrophobicContact CG-CD1 3.99Å; L307-L311 WeakPolarHBondContact O-CB 3.5Å; L307-L311 WeakPolarHBondContact O-CG 3.41Å; L307-L311 PolarHBondContact O-N 2.84Å; R309-L311 PolarHBondContact O-N 3.5Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-A315 VanDerWaalsContact O-CB 3.29Å; L311-A315 WeakPolarHBondContact O-CB 2.97Å; L311-A315 PolarHBondContact O-N 3.38Å
312S47Very low43.5Very low31 Ų3192.5 Ų92.522%0.21750%0.502CS..Hα-helixtrans-66.5-36.3175.370.90000112.4A308 R309 N310 A315 Y316A308-S312 WeakPolarHBondContact O-CB 3Å; A308-S312 PolarHBondContact O-N 3.19Å; A308-S312 PolarHBondContact O-OG 2.89Å; R309-S312 PolarHBondContact O-N 3.46Å; R309-S312 PolarHBondContact O-OG 2.97Å; N310-S312 PolarHBondContact O-N 2.9Å; S312-A315 PolarHBondContact O-N 3.03Å; S312-Y316 WeakPolarHBondContact O-CB 3.39Å; S312-Y316 PolarHBondContact O-N 3.37Å
313K49.9Very low43.4Very low136 Ų13693.1 Ų93.159%0.59150%0.499SS*.Hα-helixtrans-69.5-42.7176.4-170.6175.4-178.3176.30111.5R309 N310 L311 Y316 L317R309-K313 WeakPolarHBondContact O-CB 3.16Å; R309-K313 PolarHBondContact O-N 2.91Å; N310-K313 PolarHBondContact O-N 3.23Å; L311-K313 VanDerWaalsContact C-N 3.34Å; K313-Y316 PolarHBondContact O-N 3.49Å; K313-L317 HydrophobicContact CG-CD1 4.14Å; K313-L317 WeakPolarHBondContact O-CB 3.44Å; K313-L317 WeakPolarHBondContact O-CD1 3.25Å; K313-L317 WeakPolarHBondContact O-CG 3.38Å; K313-L317 PolarHBondContact O-N 3.47Å
314E49Very low43.1Very low130 Ų13095.9 Ų95.961%0.60751%0.511SS*.Hα-helixtrans-62.8-43.4172.2-74.7-174.6159.200112N310 Y316 L317 A318N310-E314 PolarHBondContact O-N 2.87Å; E314-Y316 PolarHBondContact O-N 2.97Å; E314-L317 PolarHBondContact O-N 2.97Å; E314-A318 WeakPolarHBondContact O-CB 3.39Å; E314-A318 PolarHBondContact O-N 2.89Å
315A45.1Very low42.8Very low63 Ų6394.7 Ų94.752%0.52151%0.505SS..Hα-helixtrans-65.1-37.9177.700000112.6L311 S312 A318 A319L311-A315 VanDerWaalsContact O-CB 3.29Å; L311-A315 WeakPolarHBondContact O-CB 2.97Å; L311-A315 PolarHBondContact O-N 3.38Å; S312-A315 PolarHBondContact O-N 3.03Å; A315-A318 PolarHBondContact O-N 3.07Å; A315-A319 PolarHBondContact O-N 3.03Å; A315-A319 VanDerWaalsContact O-N 3.13Å
316Y44.5Very low42.5Very low98 Ų9898.5 Ų98.538%0.38452%0.515SS..Hα-helixtrans-62.9-48171.9172-98.6000111.7S312 K313 E314 A318 A319S312-Y316 WeakPolarHBondContact O-CB 3.39Å; S312-Y316 PolarHBondContact O-N 3.37Å; K313-Y316 PolarHBondContact O-N 3.49Å; E314-Y316 PolarHBondContact O-N 2.97Å; Y316-A318 VanDerWaalsContact C-N 3.26Å; Y316-A318 PolarHBondContact O-N 3.37Å; Y316-A319 PolarHBondContact O-N 3.25Å
317L47Very low42.3Very low128 Ų12897.1 Ų97.167%0.6751%0.507SS*.Hα-helixtrans-67.9-23.4178.4-69.8167.8000113.5K313 E314K313-L317 HydrophobicContact CG-CD1 4.14Å; K313-L317 WeakPolarHBondContact O-CB 3.44Å; K313-L317 WeakPolarHBondContact O-CD1 3.25Å; K313-L317 WeakPolarHBondContact O-CG 3.38Å; K313-L317 PolarHBondContact O-N 3.47Å; E314-L317 PolarHBondContact O-N 2.97Å
318A43.5Very low42.1Very low83 Ų8396 Ų9669%0.68650%0.502SS*.THydrogen-bonded Turntrans-94.9-3.8178.400000114E314 A315 Y316E314-A318 WeakPolarHBondContact O-CB 3.39Å; E314-A318 PolarHBondContact O-N 2.89Å; A315-A318 PolarHBondContact O-N 3.07Å; Y316-A318 VanDerWaalsContact C-N 3.26Å; Y316-A318 PolarHBondContact O-N 3.37Å
319A38.1Very low41.9Very low39 Ų3999.5 Ų99.532%0.32252%0.518SS..  trans-73133.617700000110.8A315 Y316 T321A315-A319 PolarHBondContact O-N 3.03Å; A315-A319 VanDerWaalsContact O-N 3.13Å; Y316-A319 PolarHBondContact O-N 3.25Å; A319-T321 PolarHBondContact O-N 3.48Å; A319-T321 VanDerWaalsContact O-N 3.12Å
320S29.9Very low41.7Very low119 Ų11993.2 Ų93.283%0.83250%0.496SS*.SBendtrans-70.7-3.3179.152.70000114.4
321T34.1Very low41.3Very low89 Ų8996.6 Ų96.655%0.54651%0.507SS..SBendtrans-139.3129.5-179.453.40000109.5A319 L323A319-T321 PolarHBondContact O-N 3.48Å; A319-T321 VanDerWaalsContact O-N 3.12Å; T321-L323 PolarHBondContact O-N 3.08Å
322N40Very low40.9Very low132 Ų132100.5 Ų100.571%0.70653%0.528SS*.  trans-64.992.5174.1-74.9-30.1000110.8K324N322-K324 PolarHBondContact O-N 3.49Å
323L37.2Very low40.4Very low95 Ų95106.8 Ų106.850%0.49755%0.551SS.*  trans-70.788.8172.8-81.8159.4000109.8T321 L365T321-L323 PolarHBondContact O-N 3.08Å; L323-L365 HydrophobicContact CB-CD1 4.5Å; L323-L365 HydrophobicContact CD1-CD1 4.35Å
324K39.3Very low39.7Very low133 Ų133105.9 Ų105.958%0.57855%0.553SS**PPolyproline II helixtrans-94.9125172.7-69.5-164.4174.8-164.20111.1N322N322-K324 PolarHBondContact O-N 3.49Å
325L38.4Very low38.9Very low60 Ų60107 Ų10731%0.31456%0.563SS.*PPolyproline II helixtrans-71.2124.2164.5-105154000109.6N329 I363 L365L325-N329 HydrophobicContact CD2-CB 4.38Å; L325-I363 WeakPolarHBondContact CD1-O 3.32Å; L325-L365 HydrophobicContact CD1-CD2 4.08Å
326R34.9Very low38.2Very low174 Ų174106.2 Ų106.266%0.65756%0.561SS**PPolyproline II helixtrans-66.5129.1179.8-178.7173.5167.3159.2-3.1110.7D328 N329R326-D328 HydrophobicContact CG-CB 4.26Å; R326-D328 IonicContact CZ-OD2 2.74Å; R326-D328 IonicContact NE-OD2 3.14Å; R326-D328 PolarHBondContact NE-OD2 2.73Å; R326-D328 IonicContact NH2-OD2 2.68Å; R326-D328 PolarHBondContact NH2-OD2 3.13Å; R326-D328 PolarHBondContact O-N 3.32Å; R326-N329 WeakPolarHBondContact O-CB 3.15Å; R326-N329 PolarHBondContact O-N 3.46Å
327K38.1Very low37.6Very low87 Ų87106.1 Ų106.138%0.37858%0.575SS.*G310 helixtrans-56.7-22.9-176.9-100.1-168.3-171.6175.20115.1N329 L330 E360K327-N329 PolarHBondContact O-N 2.88Å; K327-L330 HydrophobicContact CG-CD2 4.38Å; K327-L330 VanDerWaalsContact O-CB 3.31Å; K327-L330 WeakPolarHBondContact O-CB 3.25Å; K327-L330 PolarHBondContact O-N 3.36Å; K327-E360 HydrophobicContact CD-CB 4.47Å; K327-E360 HydrophobicContact CD-CG 4.45Å; K327-E360 VanDerWaalsContact CD-OE1 3.23Å; K327-E360 WeakPolarHBondContact CD-OE1 3.18Å; K327-E360 WeakPolarHBondContact CE-OE1 3.1Å; K327-E360 IonicContact NZ-OE1 3.32Å; K327-E360 PolarHBondContact NZ-OE1 3.27Å
328D41.7Very low37Very low88 Ų88107.2 Ų107.247%0.47158%0.581SS.*G310 helixtrans-61.2-28.8173.3-61.4-27.1000112.3R326R326-D328 HydrophobicContact CG-CB 4.26Å; R326-D328 IonicContact CZ-OD2 2.74Å; R326-D328 IonicContact NE-OD2 3.14Å; R326-D328 PolarHBondContact NE-OD2 2.73Å; R326-D328 IonicContact NH2-OD2 2.68Å; R326-D328 PolarHBondContact NH2-OD2 3.13Å; R326-D328 PolarHBondContact O-N 3.32Å
329N40.4Very low36.5Very low90 Ų90110.6 Ų110.648%0.48159%0.588SS.*G310 helixtrans-81.9-14.9174.9-59-7.8000112.5L325 R326 K327 F333L325-N329 HydrophobicContact CD2-CB 4.38Å; R326-N329 WeakPolarHBondContact O-CB 3.15Å; R326-N329 PolarHBondContact O-N 3.46Å; K327-N329 PolarHBondContact O-N 2.88Å; N329-F333 WeakPolarHBondContact O-CD2 3.01Å
330L40.6Very low36.1Very low25 Ų25115.2 Ų115.213%0.13161%0.607CS.*G310 helixtrans-77.7-29.9177.7-105.875.4000112.9K327 L332 F333 I363K327-L330 HydrophobicContact CG-CD2 4.38Å; K327-L330 VanDerWaalsContact O-CB 3.31Å; K327-L330 WeakPolarHBondContact O-CB 3.25Å; K327-L330 PolarHBondContact O-N 3.36Å; L330-L332 PolarHBondContact O-N 3.32Å; L330-L332 VanDerWaalsContact O-N 3.08Å; L330-F333 PolarHBondContact O-N 3.12Å; L330-I363 HydrophobicContact CD1-CB 4.39Å; L330-I363 HydrophobicContact CD1-CD1 3.8Å; L330-I363 HydrophobicContact CD1-CG1 4.01Å; L330-I363 HydrophobicContact CD2-CD1 3.68Å; L330-I363 HydrophobicContact CD2-CG1 3.94Å; L330-I363 HydrophobicContact CG-CD1 3.57Å; L330-I363 HydrophobicContact CG-CG1 4.15Å
331K40.7Very low36.3Very low155 Ų155117.8 Ų117.867%0.67461%0.611SS**G310 helixtrans-66.5-9.4-179.1-71.3-179.1179.1171.60113.7
332L40.6Very low36.1Very low156 Ų156121.9 Ų121.982%0.81762%0.624SS**G310 helixtrans-81.7-18.3169.7-115.575.8000114.1L330L330-L332 PolarHBondContact O-N 3.32Å; L330-L332 VanDerWaalsContact O-N 3.08Å
333F35.7Very low35.7Very low163 Ų163126.5 Ų126.572%0.71563%0.633SS**THydrogen-bonded Turntrans-100.8-27.6-174.3-69.8-83.3000113.9N329 L330N329-F333 WeakPolarHBondContact O-CD2 3.01Å; L330-F333 PolarHBondContact O-N 3.12Å
334N34.6Very low35.4Very low117 Ų117125.8 Ų125.863%0.62664%0.642SS**SBendtrans-97.3-1.9-170-71.31.5000115.6G336N334-G336 VanDerWaalsContact C-N 3.25Å; N334-G336 PolarHBondContact O-N 2.91Å
335N32.7Very low35.1Very low154 Ų154126 Ų12682%0.82465%0.649SS**SBendtrans-91.438.6178.8-75.1-19.8000112.7
336G30.6Very low34.8Very low45 Ų45129.1 Ų129.146%0.46467%0.666SS.*SBendtrans-124.57.6-167.800000116.4N334N334-G336 VanDerWaalsContact C-N 3.25Å; N334-G336 PolarHBondContact O-N 2.91Å
337S32Very low34.9Very low97 Ų97128.2 Ų128.268%0.67867%0.674SS**  trans-154.4116.9167.2-178.80000109.3
338D34.1Very low35.1Very low151 Ų151128.4 Ų128.481%0.80769%0.686SS**  177.297.9123.1-891.1000109.7
339N32.8Very low34.9Very low154 Ų154130.7 Ų130.782%0.82470%0.698SS**  trans-79.6118.3162.2-81.3-52.5000108.6
340N29.6Very low35Very low136 Ų136134 Ų13473%0.72771%0.711SS**  trans45.3102148.9-51.4-34.8000117.5
341N34.6Very low35Very low173 Ų173138.6 Ų138.693%0.92574%0.735SS**  trans-149.5106.3130.6-96.8-37.9000112.2
342E30.5Very low35.1Very low175 Ų175137.8 Ų137.882%0.81874%0.739SS**  trans-67.1123.6165.2172.2-178.7-152.300110.1
343Y31.4Very low35Very low228 Ų228137.5 Ų137.589%0.89474%0.738SS**  trans173.884.3154.8-98.7-67.8000107.4
344A30.5Very low35.2Very low81 Ų81138.4 Ų138.467%0.66974%0.744SS**  77.5132.680.100000115.7
345N32.5Very low35.1Very low136 Ų136142.6 Ų142.673%0.72776%0.76SS**  trans82.793.7162.5-67.1-26.6000121
346N32.4Very low35.1Very low127 Ų127143.6 Ų143.668%0.67976%0.76SS**  63.2137.9103.2-61.6-11.2000121.7
347N37.2Very low35.2Very low154 Ų154150.7 Ų150.782%0.82478%0.781SS**  trans77.4138.4157.3-56.1-17.4000116
348S41.5Very low35.3Very low91 Ų91155.2 Ų155.264%0.63679%0.791SS**  cis-174.9147.9-6.346.50000112.1
349N38.5Very low35.5Very low136 Ų136156.4 Ų156.473%0.72779%0.792SS**  trans70.6152.3147.6-61.31.1000121
350H42Very low35.7Very low160 Ų160154.7 Ų154.774%0.74178%0.779SS**  trans73.1140.3171.1-60.9-55.7000116.9
351D40.5Very low36.2Very low121 Ų121156.8 Ų156.865%0.64779%0.785SS**  cis-177168.6-32.8-104.7-8.8000105.1
352D42.9Very low36.2Very low139 Ų139150.2 Ų150.274%0.74376%0.757SS**  trans70.2101.2164.3-50.6-25.8000118.1
353D37.7Very low36.7Very low149 Ų149145.5 Ų145.580%0.79774%0.737SS**  41.3112.3128.5-53.8-16.5000120.8
354E40.3Very low37.1Very low182 Ų182138.6 Ų138.685%0.8572%0.72SS**  -172.5137.5109.7-99.6170.9-173.600110.7E356E354-E356 PolarHBondContact O-N 3.21Å
355E32Very low37.4Very low205 Ų205138.7 Ų138.796%0.95871%0.709SS**  trans-83.494.4179.2-68.5-179.1148.100110.6
356E33.9Very low37.4Very low176 Ų176137 Ų13782%0.82271%0.706SS**  trans-102.2126.7165.9-70.4-162.5145.900111.1E354 E358E354-E356 PolarHBondContact O-N 3.21Å; E356-E358 PolarHBondContact O-N 3.31Å
357E33.3Very low37.6Very low194 Ų194134 Ų13491%0.90769%0.693SS**  trans-69.6108.7177.6-64.1-176.9141.100110.4E359E357-E359 PolarHBondContact O-N 3.42Å
358E33.7Very low37.5Very low191 Ų191132.5 Ų132.589%0.89368%0.684SS**  trans-63.597174.8-71.4-170.4159.300111.3E356 E360E356-E358 PolarHBondContact O-N 3.31Å; E358-E360 PolarHBondContact O-N 2.6Å; E358-E360 VanDerWaalsContact O-N 3.07Å
359E37.6Very low37.1Very low176 Ų176131.9 Ų131.982%0.82268%0.679SS**  trans-59.9112173.1-77.8-156.6132.600111E357 E361E357-E359 PolarHBondContact O-N 3.42Å; E359-E361 PolarHBondContact O-N 2.7Å
360E37.4Very low36.8Very low118 Ų118130.6 Ų130.655%0.55167%0.67SS**  trans-62.2108-175.2-60.7-161125.500113.3K327 E358 G362K327-E360 HydrophobicContact CD-CB 4.47Å; K327-E360 HydrophobicContact CD-CG 4.45Å; K327-E360 VanDerWaalsContact CD-OE1 3.23Å; K327-E360 WeakPolarHBondContact CD-OE1 3.18Å; K327-E360 WeakPolarHBondContact CE-OE1 3.1Å; K327-E360 IonicContact NZ-OE1 3.32Å; K327-E360 PolarHBondContact NZ-OE1 3.27Å; E358-E360 PolarHBondContact O-N 2.6Å; E358-E360 VanDerWaalsContact O-N 3.07Å; E360-G362 PolarHBondContact O-N 3.49Å
361E39.6Very low36.4Very low181 Ų181127.4 Ų127.485%0.84666%0.658SS**PPolyproline II helixtrans-62.2125.4169.7-75.2-162.8134.500111.4E359E359-E361 PolarHBondContact O-N 2.7Å
362G35.8Very low36Very low34 Ų34126.1 Ų126.135%0.35165%0.65SS.*PPolyproline II helixtrans-97.8141.4173.400000111.7E360E360-G362 PolarHBondContact O-N 3.49Å
363I40.7Very low35.6Very low77 Ų77122 Ų12240%0.39564%0.641SS.*PPolyproline II helixtrans-67.4133.6179.7-63.9179000110.6L325 L330L325-I363 WeakPolarHBondContact CD1-O 3.32Å; L330-I363 HydrophobicContact CD1-CB 4.39Å; L330-I363 HydrophobicContact CD1-CD1 3.8Å; L330-I363 HydrophobicContact CD1-CG1 4.01Å; L330-I363 HydrophobicContact CD2-CD1 3.68Å; L330-I363 HydrophobicContact CD2-CG1 3.94Å; L330-I363 HydrophobicContact CG-CD1 3.57Å; L330-I363 HydrophobicContact CG-CG1 4.15Å
364P38.7Very low35.4Very low83 Ų83118 Ų11854%0.53962%0.622SS.*PPolyproline II helixtrans-71.2146.3176.128.9-35.3000112.6
365L37.2Very low35.1Very low82 Ų82116.8 Ų116.843%0.42962%0.621SS.*PPolyproline II helixtrans-65.3138.2174.8-70.8165.9000111.4L323 L325L323-L365 HydrophobicContact CB-CD1 4.5Å; L323-L365 HydrophobicContact CD1-CD1 4.35Å; L325-L365 HydrophobicContact CD1-CD2 4.08Å
366P33.6Very low35.3Very low102 Ų102115.4 Ų115.466%0.66261%0.614SS**PPolyproline II helixtrans-72.5133.8177.829.2-33.8000111.4I368P366-I368 PolarHBondContact O-N 3.46Å
367P35.6Very low35.3Very low62 Ų62110.2 Ų110.240%0.40359%0.592SS.*PPolyproline II helixtrans-75.8124.9176.731.8-36.5000111.5S369P367-S369 PolarHBondContact O-N 2.82Å
368I34.8Very low35.4Very low124 Ų124107.5 Ų107.564%0.63658%0.584SS**  trans-83.195.7166.1-59179000108.4P366 L386P366-I368 PolarHBondContact O-N 3.46Å; I368-L386 HydrophobicContact CG2-CD1 4.09Å
369S34.3Very low35.3Very low78 Ų78104.8 Ų104.855%0.54558%0.575SS.*  trans-111.1108.2173.6-61.70000109.7P367P367-S369 PolarHBondContact O-N 2.82Å
370M31.9Very low34.8Very low108 Ų108103.9 Ų103.953%0.53257%0.566SS.*  trans-108.3117.9178.2-174.1165.4159.700110.2L372 L386M370-L372 HydrophobicContact CE-CD1 4.25Å; M370-L372 HydrophobicContact CE-CD2 3.67Å; M370-L372 HydrophobicContact CE-CG 3.93Å; M370-L386 HydrophobicContact CB-CD1 4.46Å
371I33.8Very low34.6Very low94 Ų94108 Ų10848%0.48258%0.576SS.*  trans-90.1115.3175-58.1179.9000108I304 W381I304-I371 HydrophobicContact CD1-CD1 3.59Å; I304-I371 HydrophobicContact CG1-CD1 4.47Å; I371-W381 HydrophobicContact CG2-CE3 4Å; I371-W381 HydrophobicContact CG2-CZ3 4.13Å
372L32.1Very low34.1Very low94 Ų94104 Ų10449%0.49256%0.558SS.*BIsolated β-bridgetrans-104.9113.6171.8-79.8169.2000109.3M370M370-L372 HydrophobicContact CE-CD1 4.25Å; M370-L372 HydrophobicContact CE-CD2 3.67Å; M370-L372 HydrophobicContact CE-CG 3.93Å
373G34Very low33.9Very low53 Ų53111.6 Ų111.655%0.54658%0.576SS.*  trans-132.2130.3165.400000108.5
374T33.6Very low33.4Very low64 Ų64111.2 Ų111.239%0.39358%0.576SS.*  trans-111.8158.2173.668.30000109.9Q376 L377T374-Q376 PolarHBondContact O-N 2.94Å; T374-Q376 PolarHBondContact OG1-N 3.32Å; T374-L377 HydrophobicContact CG2-CD1 4.39Å; T374-L377 PolarHBondContact O-N 2.96Å; T374-L377 WeakPolarHBondContact OG1-CD1 3.5Å; T374-L377 WeakPolarHBondContact OG1-CG 3.35Å; T374-L377 PolarHBondContact OG1-N 2.9Å
375D34.2Very low32.9Very low156 Ų156113.4 Ų113.483%0.83458%0.583SS**G310 helixtrans-56.8-27.3168.555.3-17.7000113L377D375-L377 VanDerWaalsContact C-N 3.3Å; D375-L377 PolarHBondContact O-N 2.92Å
376Q36.1Very low32.7Very low176 Ų176114.1 Ų114.182%0.82259%0.587SS**G310 helixtrans-77.9-6.8173.9-58.2-165.2-6.700114.8T374T374-Q376 PolarHBondContact O-N 2.94Å; T374-Q376 PolarHBondContact OG1-N 3.32Å
377L34.2Very low32.3Very low68 Ų68111.5 Ų111.536%0.35658%0.578SS.*G310 helixtrans-107.615.2-175.5-76.9168.8000114.1T374 D375 N379 Y380T374-L377 HydrophobicContact CG2-CD1 4.39Å; T374-L377 PolarHBondContact O-N 2.96Å; T374-L377 WeakPolarHBondContact OG1-CD1 3.5Å; T374-L377 WeakPolarHBondContact OG1-CG 3.35Å; T374-L377 PolarHBondContact OG1-N 2.9Å; D375-L377 VanDerWaalsContact C-N 3.3Å; D375-L377 PolarHBondContact O-N 2.92Å; L377-N379 PolarHBondContact O-N 3.13Å; L377-Y380 WeakPolarHBondContact O-CB 3.48Å; L377-Y380 WeakPolarHBondContact O-CD2 3.23Å; L377-Y380 PolarHBondContact O-N 2.85Å
378D33.6Very low32Very low136 Ų136113.9 Ų113.973%0.72759%0.586SS**THydrogen-bonded Turntrans5629.1169.1-121.37.1000114.6Y380D378-Y380 VanDerWaalsContact C-N 3.31Å; D378-Y380 HydrophobicContact CB-CD2 4.19Å; D378-Y380 PolarHBondContact O-N 3.47Å
379N32.9Very low31.8Very low134 Ų134114.9 Ų114.972%0.71759%0.592SS**THydrogen-bonded Turntrans62.425.3-171.2-47.6-73.8000115.3L377 W381L377-N379 PolarHBondContact O-N 3.13Å; N379-W381 VanDerWaalsContact O-CD1 3.24Å; N379-W381 PolarHBondContact O-N 2.94Å; N379-W381 VanDerWaalsContact O-N 3.17Å; N379-W381 PolarHBondContact O-NE1 3.31Å
380Y26.8Very low31.5Very low158 Ų158118.1 Ų118.162%0.6260%0.598SS**  trans-71.7107.1171.6-87.3-92.3000111.7L377 D378 H382L377-Y380 WeakPolarHBondContact O-CB 3.48Å; L377-Y380 WeakPolarHBondContact O-CD2 3.23Å; L377-Y380 PolarHBondContact O-N 2.85Å; D378-Y380 VanDerWaalsContact C-N 3.31Å; D378-Y380 HydrophobicContact CB-CD2 4.19Å; D378-Y380 PolarHBondContact O-N 3.47Å; Y380-H382 PolarHBondContact O-N 2.79Å; Y380-H382 VanDerWaalsContact O-N 3.16Å
381W32.6Very low31.2Very low203 Ų203118.1 Ų118.177%0.76960%0.599SS**  trans-70.5102.6174.2-52.293.4000110.8I371 N379I371-W381 HydrophobicContact CG2-CE3 4Å; I371-W381 HydrophobicContact CG2-CZ3 4.13Å; N379-W381 VanDerWaalsContact O-CD1 3.24Å; N379-W381 PolarHBondContact O-N 2.94Å; N379-W381 VanDerWaalsContact O-N 3.17Å; N379-W381 PolarHBondContact O-NE1 3.31Å
382H30.3Very low30.9Very low99 Ų99121 Ų12146%0.45861%0.61SS.*BIsolated β-bridgetrans-85.2113.8167.9-72.1175.1000110.3Y380 V384Y380-H382 PolarHBondContact O-N 2.79Å; Y380-H382 VanDerWaalsContact O-N 3.16Å; H382-V384 VanDerWaalsContact C-N 3.26Å; H382-V384 HydrophobicContact CB-CG2 4.43Å; H382-V384 PolarHBondContact O-N 3.23Å
383R31.2Very low30.5Very low193 Ų193122 Ų12273%0.72862%0.62SS**  trans-70.984.7166.7179.8-174.7168.8-176.7-1.1108.6L385R383-L385 HydrophobicContact CG-CG 4.36Å; R383-L385 PolarHBondContact O-N 3.46Å
384V30.1Very low30.2Very low68 Ų68125.7 Ų125.741%0.41263%0.628SS.*  trans-74.794.5168.7-175.40000107.8H382 L386H382-V384 VanDerWaalsContact C-N 3.26Å; H382-V384 HydrophobicContact CB-CG2 4.43Å; H382-V384 PolarHBondContact O-N 3.23Å; V384-L386 VanDerWaalsContact C-N 3.32Å; V384-L386 HydrophobicContact CG1-CG 4.39Å; V384-L386 PolarHBondContact O-N 2.61Å
385L28.8Very low29.7Very low129 Ų129128.9 Ų128.968%0.67565%0.647SS**  trans-69.395.5161.1-78.8165.7000107.5R383 G387R383-L385 HydrophobicContact CG-CG 4.36Å; R383-L385 PolarHBondContact O-N 3.46Å; L385-G387 PolarHBondContact O-N 2.85Å
386L31.2Very low29.3Very low97 Ų97126.8 Ų126.851%0.50864%0.64SS.*  trans-66.683.3157.2-92.2154.7000107.5I368 M370 V384 I388I368-L386 HydrophobicContact CG2-CD1 4.09Å; M370-L386 HydrophobicContact CB-CD1 4.46Å; V384-L386 VanDerWaalsContact C-N 3.32Å; V384-L386 HydrophobicContact CG1-CG 4.39Å; V384-L386 PolarHBondContact O-N 2.61Å; L386-I388 PolarHBondContact O-N 3.23Å
387G26.7Very low28.7Very low47 Ų47125.4 Ų125.449%0.48564%0.643SS.*  trans-59.2126.2160.300000107.6L385 I389L385-G387 PolarHBondContact O-N 2.85Å; G387-I389 VanDerWaalsContact C-N 3.26Å; G387-I389 PolarHBondContact O-N 2.85Å
388I29.4Very low28.4Very low112 Ų112125.5 Ų125.557%0.57465%0.646SS**  trans-71.793.5164.6-58.7172.9000104.9L386 E390 I391L386-I388 PolarHBondContact O-N 3.23Å; I388-E390 VanDerWaalsContact C-N 3.31Å; I388-I391 HydrophobicContact CG2-CD1 4.28Å; I388-I391 HydrophobicContact CG2-CG1 3.63Å
389I29.6Very low28Very low146 Ų146123.9 Ų123.975%0.74964%0.637SS**  trans-75.3-27.2-176-63.8167.2000110.4P113 G387P113-I389 HydrophobicContact CG-CD1 4.4Å; G387-I389 VanDerWaalsContact C-N 3.26Å; G387-I389 PolarHBondContact O-N 2.85Å
390E28.6Very low27.9Very low146 Ų146126.1 Ų126.168%0.68264%0.644SS**  trans-153.7147.4176-168.2170.7-171.900110.9I388I388-E390 VanDerWaalsContact C-N 3.31Å
391I26.1Very low28.2Very low108 Ų108125.3 Ų125.355%0.55465%0.65SS**  trans-115.7104.5163.1-59.3176.7000106.5I388 V393I388-I391 HydrophobicContact CG2-CD1 4.28Å; I388-I391 HydrophobicContact CG2-CG1 3.63Å; I391-V393 HydrophobicContact CG2-CG2 3.96Å; I391-V393 PolarHBondContact O-N 3.41Å
392Q26.3Very low28.2Very low153 Ų153121 Ų12172%0.71564%0.642SS**  trans-71119.7166.7-78.4-176.3-37.800109.1
393V24.9Very low28.2Very low115 Ų115123.5 Ų123.570%0.69765%0.652SS**  trans-105.286.5171.8-176.40000108.2I391 T395I391-V393 HydrophobicContact CG2-CG2 3.96Å; I391-V393 PolarHBondContact O-N 3.41Å; V393-T395 PolarHBondContact O-N 3.12Å
394D26.2Very low28.1Very low132 Ų132118 Ų11871%0.70666%0.655SS**  trans-68115.9169-78.6-31.3000109.8V396D394-V396 VanDerWaalsContact C-N 3.31Å; D394-V396 HydrophobicContact CB-CG2 4.26Å; D394-V396 PolarHBondContact O-N 3.15Å
395T24Very low28Very low131 Ų131124.8 Ų124.880%0.80468%0.679SS**  trans-81.17517842.10000111.3V393V393-T395 PolarHBondContact O-N 3.12Å
396V25.2Very low28Very low112 Ų112124.8 Ų124.868%0.67969%0.688SS**  trans-80.9120.6175.3-168.60000110.4D394 V398D394-V396 VanDerWaalsContact C-N 3.31Å; D394-V396 HydrophobicContact CB-CG2 4.26Å; D394-V396 PolarHBondContact O-N 3.15Å; V396-V398 HydrophobicContact CB-CG2 4.27Å; V396-V398 HydrophobicContact CG1-CG2 3.79Å; V396-V398 PolarHBondContact O-N 2.65Å
397V24.2Very low27.9Very low147 Ų147123.9 Ų123.989%0.89170%0.702SS**  trans-80101.2170.9-178.40000108.8
398V27.1Very low28Very low70 Ų70131.9 Ų131.942%0.42472%0.72SS.*  trans-101.6139.5178.6-173.10000110.3V396 D402 F403V396-V398 HydrophobicContact CB-CG2 4.27Å; V396-V398 HydrophobicContact CG1-CG2 3.79Å; V396-V398 PolarHBondContact O-N 2.65Å; V398-D402 HydrophobicContact CG1-CB 3.95Å; V398-F403 HydrophobicContact CB-CE2 3.85Å; V398-F403 HydrophobicContact CB-CZ 3.97Å; V398-F403 HydrophobicContact CG1-CD2 4.29Å; V398-F403 HydrophobicContact CG1-CE2 3.46Å; V398-F403 VanDerWaalsContact CG1-CE2 3.46Å; V398-F403 HydrophobicContact CG1-CZ 3.68Å; V398-F403 HydrophobicContact CG2-CZ 4.35Å
399N26.5Very low28Very low101 Ų101135.6 Ų135.654%0.5476%0.755SS.*  trans-75.8145.8-179-159.1-26.6000110.6N401 D402N399-N401 PolarHBondContact O-N 3.28Å; N399-D402 VanDerWaalsContact CB-OD2 3.27Å; N399-D402 WeakPolarHBondContact CB-OD2 3.49Å; N399-D402 PolarHBondContact N-OD2 3.12Å; N399-D402 PolarHBondContact O-N 2.97Å
400Q29.4Very low28Very low182 Ų182135.1 Ų135.185%0.8576%0.756SS**THydrogen-bonded Turntrans-64.2-12.3-171.9-140.6172.514.800113.8
401N33.3Very low27.9Very low141 Ų141134.5 Ų134.575%0.75476%0.76SS**THydrogen-bonded Turntrans-93.9-10.1179.9-60.7-32.9000114N399N399-N401 PolarHBondContact O-N 3.28Å
402D32.7Very low28Very low112 Ų112135.9 Ų135.960%0.59977%0.771SS**SBendtrans-88-3.6-171.7-60.5-32.9000113.5V398 N399V398-D402 HydrophobicContact CG1-CB 3.95Å; N399-D402 VanDerWaalsContact CB-OD2 3.27Å; N399-D402 WeakPolarHBondContact CB-OD2 3.49Å; N399-D402 PolarHBondContact N-OD2 3.12Å; N399-D402 PolarHBondContact O-N 2.97Å
403F30.4Very low28.1Very low151 Ų151134.9 Ų134.966%0.66277%0.774SS**  trans-94.4108179.7-69.3-77.7000112.2V398V398-F403 HydrophobicContact CB-CE2 3.85Å; V398-F403 HydrophobicContact CB-CZ 3.97Å; V398-F403 HydrophobicContact CG1-CD2 4.29Å; V398-F403 HydrophobicContact CG1-CE2 3.46Å; V398-F403 VanDerWaalsContact CG1-CE2 3.46Å; V398-F403 HydrophobicContact CG1-CZ 3.68Å; V398-F403 HydrophobicContact CG2-CZ 4.35Å
404G29.3Very low28.3Very low77 Ų77136.2 Ų136.279%0.79478%0.779SS**  trans-64.8143.417400000113
405K28.6Very low28.5Very low211 Ų211136.5 Ų136.592%0.91778%0.784SS**  trans-85.9118.2-177.6-61.3-179.5179.2-179.50111.7
406C28.2Very low28.8Very low129 Ų129136.9 Ų136.987%0.87278%0.783SS**  trans-120.9117.3162.4-680000108.7
407G30Very low29.1Very low78 Ų78138.8 Ų138.880%0.80479%0.791SS**  trans-104150.7173.200000110.8
408Y28.4Very low29.5Very low215 Ų215138.1 Ų138.184%0.84378%0.782SS**  trans-85.7153.5175.3-73.2-90.5000111.5
409S29.9Very low29.7Very low190 Ų190144.3 Ų144.3100%1.32982%0.815SS**  trans-136.30178.563.30000110.7

Retrieved 409 of 409 residues in 290 ms (Link to these results)