A0A3Q0KPN4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KPN4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 394 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
1M42.6Very low40.2Very low236 Ų236153.5 Ų153.5100%1.16383%0.828SS**  0128.20-61.4-147.485.800107.5
2P38.9Very low39.8Very low125 Ų125154.6 Ų154.681%0.81283%0.831SS**  trans-80142.4-173.432.2-30.6000110.9
3S40.4Very low39.7Very low116 Ų116154.7 Ų154.781%0.81183%0.829SS**  trans-64.8123.6174.636.50000111E5S3-E5 PolarHBondContact O-N 3.1Å
4A41.9Very low39.6Very low94 Ų94151.3 Ų151.378%0.77782%0.823SS**  trans-75.9110.3173.400000109.9I6A4-I6 PolarHBondContact O-N 3.18Å
5E42.8Very low39.5Very low184 Ų184156.5 Ų156.586%0.8683%0.826SS**  trans-68.4116.4164.7-73.8176.9157.800108.7S3 E7S3-E5 PolarHBondContact O-N 3.1Å; E5-E7 PolarHBondContact O-N 3.16Å
6I43.1Very low39.5Very low160 Ų160153 Ų15382%0.82182%0.815SS**  trans-87.997.9172.3-61.8170.9000106.9A4 S8A4-I6 PolarHBondContact O-N 3.18Å; I6-S8 PolarHBondContact O-N 3Å; I6-S8 VanDerWaalsContact O-N 3.1Å
7E42.4Very low39.3Very low183 Ų183153.4 Ų153.486%0.85582%0.817SS**  trans-64.1105.7165.9-80.1-175.4151.700109.3E5 S9E5-E7 PolarHBondContact O-N 3.16Å; E7-S9 PolarHBondContact O-N 3.09Å
8S36Very low39.3Very low88 Ų88158.1 Ų158.162%0.61582%0.821SS**  trans-67.599172.1153.60000109.9I6 R10I6-S8 PolarHBondContact O-N 3Å; I6-S8 VanDerWaalsContact O-N 3.1Å; S8-R10 PolarHBondContact O-N 3.11Å
9S36.5Very low39.2Very low106 Ų106157.2 Ų157.274%0.74182%0.816SS**  trans-70.669.7169.562.20000111.7E7 H11E7-S9 PolarHBondContact O-N 3.09Å; S9-H11 PolarHBondContact O-N 3.34Å
10R38.5Very low39Very low218 Ų218158.5 Ų158.582%0.82382%0.815SS**  trans-89.850.1168.5-80.9-175.4-177.7-166.52.5111.1S8S8-R10 PolarHBondContact O-N 3.11Å
11H39Very low39.1Very low179 Ų179157 Ų15783%0.82981%0.809SS**  trans-134.853.6171.8-68-33.6000110.8S9S9-H11 PolarHBondContact O-N 3.34Å
12L35.4Very low38.9Very low166 Ų166149.9 Ų149.987%0.86978%0.78SS**  trans-11063.5163.3-68.8172.8000108.6
13I38.4Very low38.8Very low156 Ų156150.6 Ų150.680%0.878%0.777SS**  trans-92.7109.5160.8-62.1175.6000105.6R15I13-R15 PolarHBondContact O-N 2.93Å
14S38.7Very low38.5Very low107 Ų107155.3 Ų155.375%0.74878%0.778SS**  trans-39.8115.5176.252.10000112.1
15R38.1Very low38.3Very low229 Ų229159.4 Ų159.486%0.86478%0.779SS**  trans-63.7138.3161.6-72.5-174.1170.7164.3-1.3108.4I13 L17I13-R15 PolarHBondContact O-N 2.93Å; R15-L17 PolarHBondContact O-N 2.9Å; R15-L17 VanDerWaalsContact O-N 3.13Å
16P39.8Very low37.8Very low101 Ų101157.8 Ų157.866%0.65678%0.776SS**  trans-63117.7172.125.3-31000108.8W18P16-W18 VanDerWaalsContact O-CD1 3.29Å; P16-W18 PolarHBondContact O-N 3.26Å
17L34.7Very low37.4Very low160 Ų160157.7 Ų157.784%0.83878%0.777SS**  trans-70.3106.8166.3-83.1160.2000107.4R15 I19R15-L17 PolarHBondContact O-N 2.9Å; R15-L17 VanDerWaalsContact O-N 3.13Å; L17-I19 VanDerWaalsContact C-N 3.33Å; L17-I19 PolarHBondContact O-N 3.33Å
18W40.1Very low36.9Very low237 Ų237157.6 Ų157.690%0.89878%0.776SS**  trans-74.191.3168.3-6673.9000107.7P16 K20P16-W18 VanDerWaalsContact O-CD1 3.29Å; P16-W18 PolarHBondContact O-N 3.26Å; W18-K20 PolarHBondContact O-N 3.13Å
19I37.3Very low36.8Very low141 Ų141157.4 Ų157.472%0.72378%0.775SS**  trans-79.8115166.7-57.9175.7000106.1L17 D21L17-I19 VanDerWaalsContact C-N 3.33Å; L17-I19 PolarHBondContact O-N 3.33Å; I19-D21 PolarHBondContact O-N 3.07Å
20K35.6Very low36.5Very low184 Ų184160.6 Ų160.680%0.878%0.783SS**  trans-74109172.8-172.5179.1-178-177.90107.2W18W18-K20 PolarHBondContact O-N 3.13Å
21D39.8Very low36.6Very low128 Ų128156.6 Ų156.668%0.68478%0.783SS**  trans-59.1134.1172.2-81.1-32.1000109.3I19 N23I19-D21 PolarHBondContact O-N 3.07Å; D21-N23 PolarHBondContact O-N 3.2Å
22P39.8Very low36.4Very low86 Ų86158.2 Ų158.256%0.55878%0.782SS**  trans-61.1135.6174.823.9-30.4000109.3Y24P22-Y24 HydrophobicContact CG-CE2 4.1Å; P22-Y24 VanDerWaalsContact O-CD2 3.3Å; P22-Y24 WeakPolarHBondContact O-CD2 3.37Å; P22-Y24 PolarHBondContact O-N 3.07Å
23N36.2Very low36.8Very low140 Ų140156.1 Ų156.175%0.74978%0.781SS**  trans-52.398176.4-70.5-21.2000110D21 F25D21-N23 PolarHBondContact O-N 3.2Å; N23-F25 PolarHBondContact O-N 2.82Å; N23-F25 VanDerWaalsContact O-N 3.17Å
24Y35Very low36.9Very low214 Ų214153.2 Ų153.284%0.83977%0.767SS**  trans-75.4107.1168.2-82.6-81.8000108.3P22P22-Y24 HydrophobicContact CG-CE2 4.1Å; P22-Y24 VanDerWaalsContact O-CD2 3.3Å; P22-Y24 WeakPolarHBondContact O-CD2 3.37Å; P22-Y24 PolarHBondContact O-N 3.07Å
25F36Very low36.7Very low180 Ų180158.5 Ų158.579%0.78977%0.772SS**  trans-49.4151.6166.4-83.2-100.2000112.5N23 L27N23-F25 PolarHBondContact O-N 2.82Å; N23-F25 VanDerWaalsContact O-N 3.17Å; F25-L27 PolarHBondContact O-N 3.17Å
26D32.9Very low36.7Very low150 Ų150155.3 Ų155.380%0.80277%0.771SS**  trans-32.9112.7169.9-71.8-48.4000114.2
27L34.6Very low36.5Very low158 Ų158161.6 Ų161.683%0.82778%0.782SS**  trans-104.281.7153.3-77.6167.8000107.7F25 S29F25-L27 PolarHBondContact O-N 3.17Å; L27-S29 VanDerWaalsContact C-N 3.29Å; L27-S29 PolarHBondContact O-N 3.02Å
28Q31.9Very low36.7Very low182 Ų182157.5 Ų157.585%0.8576%0.761SS**  trans-58.9100.1148.4-75-177.9-6.800107.2
29S33.7Very low36.7Very low84 Ų84151.7 Ų151.759%0.58775%0.754SS**  trans-126.196.8165.464.90000109.2L27 T31L27-S29 VanDerWaalsContact C-N 3.29Å; L27-S29 PolarHBondContact O-N 3.02Å; S29-T31 PolarHBondContact O-N 2.85Å
30L30.6Very low36.8Very low172 Ų172155 Ų15590%0.90176%0.757SS**  trans14.193.7138.9-76.886.9000115.1
31T40.7Very low36.9Very low135 Ų135151.8 Ų151.883%0.82875%0.753SS**  trans-132.5100152.852.90000108.7S29S29-T31 PolarHBondContact O-N 2.85Å
32R34.5Very low36.9Very low213 Ų213150.6 Ų150.680%0.80476%0.755SS**  trans-39.9139.2173.7-84.3165106.3152.65.7112.9D34R32-D34 IonicContact NE-OD2 3.22Å; R32-D34 PolarHBondContact NE-OD2 2.97Å; R32-D34 PolarHBondContact O-N 2.73Å
33S43.3Very low36.7Very low121 Ų121157.8 Ų157.885%0.84677%0.771SS**THydrogen-bonded Turntrans-66.49.9175.141.80000116
34D41.9Very low36.7Very low95 Ų95160.4 Ų160.451%0.50878%0.776SS.*THydrogen-bonded Turntrans-112.72.3-154.8-43.6-20000113.6R32 L36R32-D34 IonicContact NE-OD2 3.22Å; R32-D34 PolarHBondContact NE-OD2 2.97Å; R32-D34 PolarHBondContact O-N 2.73Å; D34-L36 PolarHBondContact O-N 3.41Å
35Y33.5Very low37Very low219 Ų219156.6 Ų156.686%0.85978%0.775SS**  trans-92.8105.2-179.1-101.2-91.7000112.6W37Y35-W37 VanDerWaalsContact C-N 3.27Å; Y35-W37 PolarHBondContact O-N 3.03Å; Y35-W37 VanDerWaalsContact O-N 3.12Å
36L38.4Very low37Very low161 Ų161157 Ų15784%0.84378%0.779SS**THydrogen-bonded Turntrans-76.715.9-169-149.582.1000115.7D34D34-L36 PolarHBondContact O-N 3.41Å
37W36.4Very low37.4Very low233 Ų233155.9 Ų155.988%0.88378%0.78SS**THydrogen-bonded Turntrans-138.117.2-167.6-81.775.6000116.3Y35 P39Y35-W37 VanDerWaalsContact C-N 3.27Å; Y35-W37 PolarHBondContact O-N 3.03Å; Y35-W37 VanDerWaalsContact O-N 3.12Å; W37-P39 WeakPolarHBondContact O-CD 3.43Å
38D37.4Very low37.4Very low74 Ų74157.8 Ų157.840%0.39679%0.785SS.*  trans-80.7116.8174.5-158.8-20.2000111.2R40 T41D38-R40 PolarHBondContact O-N 3.46Å; D38-R40 WeakPolarHBondContact OD1-CG 3.48Å; D38-R40 IonicContact OD1-NH1 3.55Å; D38-R40 IonicContact OD2-NH1 2.78Å; D38-T41 PolarHBondContact O-N 3.43Å; D38-T41 PolarHBondContact O-OG1 3.16Å; D38-T41 VanDerWaalsContact O-OG1 3.11Å
39P41.4Very low37.5Very low116 Ų116151.2 Ų151.275%0.75377%0.765SS**THydrogen-bonded Turntrans-651.5-176.8-17.130.4000114.7W37W37-P39 WeakPolarHBondContact O-CD 3.43Å
40R39.9Very low37.6Very low209 Ų209154.3 Ų154.379%0.78977%0.774SS**THydrogen-bonded Turntrans-91.3-0.1-175-62.8-180-177.5126-4.1114D38D38-R40 PolarHBondContact O-N 3.46Å; D38-R40 WeakPolarHBondContact OD1-CG 3.48Å; D38-R40 IonicContact OD1-NH1 3.55Å; D38-R40 IonicContact OD2-NH1 2.78Å
41T37.9Very low37.9Very low117 Ų117157 Ų15772%0.71877%0.772SS**THydrogen-bonded Turntrans-86.50.2-173.348.60000115.3D38D38-T41 PolarHBondContact O-N 3.43Å; D38-T41 PolarHBondContact O-OG1 3.16Å; D38-T41 VanDerWaalsContact O-OG1 3.11Å
42S38.1Very low37.7Very low104 Ų104155 Ų15573%0.72777%0.769SS**THydrogen-bonded Turntrans-99.49.7-173.370.10000117
43R37.2Very low37.9Very low237 Ų237156.2 Ų156.289%0.89477%0.774SS**  trans-120.568.3176.5-70.3-170.3-178.4-170.30.6112.7T45R43-T45 PolarHBondContact O-N 3.17Å
44K35.7Very low37.5Very low195 Ų195154.9 Ų154.985%0.84877%0.765SS**  trans-83.988.1160.7-75.4-176.1176.6179.80109
45T40.2Very low37.2Very low133 Ų133159.9 Ų159.982%0.81678%0.782SS**  trans169.887.4150.340.40000108.6R43R43-T45 PolarHBondContact O-N 3.17Å
46E37Very low37.8Very low190 Ų190157.5 Ų157.589%0.88878%0.776SS**  trans-177.6136.7143.7-102.6171.2-152.600110
47P41.8Very low37.8Very low125 Ų125154.7 Ų154.781%0.81277%0.767SS**  trans-71.6146.1-174.530.3-32.9000111.3G49P47-G49 PolarHBondContact O-N 2.95Å
48E33.7Very low37.8Very low199 Ų199152.9 Ų152.993%0.9377%0.766SS**  trans-45.686.6-177.4-66.6171.9138.400113.7I50E48-I50 PolarHBondContact O-N 3.1Å
49G33.4Very low37.6Very low43 Ų43155.6 Ų155.644%0.44379%0.785SS.*  trans-85.499.6167.200000109.5P47 R51P47-G49 PolarHBondContact O-N 2.95Å; G49-R51 PolarHBondContact O-N 2.87Å
50I36.1Very low37.5Very low149 Ų149154.4 Ų154.476%0.76478%0.779SS**  trans-41.2103.8161.3-59.9166.2000107.6E48 K381E48-I50 PolarHBondContact O-N 3.1Å; I50-K381 PolarHBondContact O-NZ 3.35Å
51R36.7Very low37Very low229 Ų229148.6 Ų148.686%0.86478%0.776SS**  trans-90.6107.5-179.9-135.3176.7-177.3-177.81.5104.8G49 R53G49-R51 PolarHBondContact O-N 2.87Å; R51-R53 PolarHBondContact O-N 2.66Å
52A36.8Very low36.7Very low93 Ų93154 Ų15477%0.76979%0.785SS**  trans-54.2107.1167.600000107S54A52-S54 PolarHBondContact O-N 3.11Å
53R38.4Very low36.6Very low238 Ų238157.6 Ų157.690%0.89879%0.787SS**  trans-68.988.8167.3-70.5-174.6176.6-163.60.9105.2R51 F55R51-R53 PolarHBondContact O-N 2.66Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 3.35Å
54S36.1Very low36.3Very low94 Ų94151.2 Ų151.266%0.65778%0.779SS**  trans-59.3106.3160.958.30000105.5A52 K56A52-S54 PolarHBondContact O-N 3.11Å; S54-K56 PolarHBondContact O-N 3.4Å
55F36.3Very low36.2Very low200 Ų200147.8 Ų147.888%0.87778%0.775SS**  trans-6387.5165.3-126.2-92000105.6R53 P57R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 3.35Å; F55-P57 WeakPolarHBondContact O-CD 3.5Å
56K45.8Very low35.9Very low169 Ų169148.1 Ų148.174%0.73577%0.77SS**  trans-65.1118.8156.7-72.9-170.2176.3-174.10103.9S54 K58S54-K56 PolarHBondContact O-N 3.4Å; K56-K58 PolarHBondContact O-N 3.4Å
57P37.4Very low36.1Very low101 Ų101145.4 Ų145.466%0.65676%0.761SS**  trans-57.5115.5166.924.2-29.1000105.5F55 V59F55-P57 WeakPolarHBondContact O-CD 3.5Å; P57-V59 HydrophobicContact CB-CG2 4.19Å; P57-V59 HydrophobicContact CG-CG2 4.34Å; P57-V59 PolarHBondContact O-N 3.03Å
58K36.8Very low35.8Very low195 Ų195150.3 Ų150.385%0.84876%0.764SS**  trans-6587.6162.7-79.9-177175.7-179.20104.8K56 S60K56-K58 PolarHBondContact O-N 3.4Å; K58-S60 PolarHBondContact O-N 2.95Å
59V33.6Very low36Very low131 Ų131147.9 Ų147.979%0.79476%0.757SS**  trans-74.269.4163.3-161.90000105.7P57 A61P57-V59 HydrophobicContact CB-CG2 4.19Å; P57-V59 HydrophobicContact CG-CG2 4.34Å; P57-V59 PolarHBondContact O-N 3.03Å; V59-A61 PolarHBondContact O-N 2.92Å
60S37.7Very low35.9Very low91 Ų91151.4 Ų151.464%0.63678%0.775SS**  trans-74.499.4161.749.70000105.9K58 Y62K58-S60 PolarHBondContact O-N 2.95Å; S60-Y62 PolarHBondContact O-N 3.3Å; S60-Y62 VanDerWaalsContact O-N 3.11Å
61A30Very low35.7Very low87 Ų87147.2 Ų147.272%0.71977%0.769SS**  trans2579.5149.200000115.3V59 K63V59-A61 PolarHBondContact O-N 2.92Å; A61-K63 PolarHBondContact O-N 3.34Å
62Y32Very low35.5Very low232 Ų232145.3 Ų145.391%0.9177%0.77SS**  trans-70.590.9146.9-91.9-87.5000106.7S60S60-Y62 PolarHBondContact O-N 3.3Å; S60-Y62 VanDerWaalsContact O-N 3.11Å
63K35.3Very low35.5Very low178 Ų178150.8 Ų150.877%0.77478%0.776SS**  trans-56.4142.9150.2-86.3179.9169.3-178.40107.7A61A61-K63 PolarHBondContact O-N 3.34Å
64S31Very low35.2Very low103 Ų103148.2 Ų148.272%0.7278%0.775SS**  trans6097.4160.163.30000117
65T34.5Very low35.1Very low124 Ų124153 Ų15376%0.76178%0.783SS**  -175.8106.6104.832.90000106.5D67T65-D67 PolarHBondContact O-N 2.66Å
66I34.4Very low34.7Very low139 Ų139148.8 Ų148.871%0.71378%0.779SS**  trans-79.2101168.3-58.7168.8000105.1W68I66-W68 HydrophobicContact CG2-CD2 4.44Å; I66-W68 HydrophobicContact CG2-CG 3.93Å; I66-W68 VanDerWaalsContact CG2-NE1 3.29Å; I66-W68 PolarHBondContact O-N 3.1Å
67D40Very low34Very low133 Ų133148.4 Ų148.471%0.71178%0.783SS**  trans-83.196.6160.5-71.8-27.3000106.8T65 D69T65-D67 PolarHBondContact O-N 2.66Å; D67-D69 PolarHBondContact O-N 3.04Å
68W36.2Very low33.7Very low229 Ų229148.7 Ų148.787%0.86779%0.788SS**  trans-71.169.8160.8-77.397.9000107.8I66 S70I66-W68 HydrophobicContact CG2-CD2 4.44Å; I66-W68 HydrophobicContact CG2-CG 3.93Å; I66-W68 VanDerWaalsContact CG2-NE1 3.29Å; I66-W68 PolarHBondContact O-N 3.1Å; W68-S70 PolarHBondContact O-N 3.2Å; W68-S70 VanDerWaalsContact O-N 3.1Å
69D37.8Very low33.4Very low147 Ų147143.6 Ų143.679%0.78678%0.776SS**  trans-7998.5169-100.1-10.9000108.8D67 G71D67-D69 PolarHBondContact O-N 3.04Å; D69-G71 PolarHBondContact O-N 3.19Å; D69-G71 VanDerWaalsContact O-N 3.17Å
70S32Very low33.2Very low117 Ų117143.4 Ų143.482%0.81878%0.775SS**  trans-48.3105.116348.50000111.2W68W68-S70 PolarHBondContact O-N 3.2Å; W68-S70 VanDerWaalsContact O-N 3.1Å
71G31.2Very low33.1Very low62 Ų62146.7 Ų146.764%0.63978%0.779SS**  trans-154.3115.9167.400000108.5D69D69-G71 PolarHBondContact O-N 3.19Å; D69-G71 VanDerWaalsContact O-N 3.17Å
72E32.7Very low33.3Very low189 Ų189148.3 Ų148.388%0.88378%0.78SS**  trans73.483.5167.3-52.4-176.8171.900116.7
73K35.4Very low33.4Very low207 Ų207146.6 Ų146.690%0.978%0.781SS**  trans-161.468.6134.7-104163-167.2-177.30110K75K73-K75 PolarHBondContact O-N 3.18Å; K73-K75 VanDerWaalsContact O-N 3.16Å
74E33.3Very low33.5Very low184 Ų184146 Ų14686%0.8679%0.786SS**  trans-59.2107.9143.7-75.1-176.5158.900107.4
75K34.3Very low33.7Very low194 Ų194148.1 Ų148.184%0.84379%0.788SS**  trans167.5133.9142-88.2153.4-168.4-179.80108.9K73K73-K75 PolarHBondContact O-N 3.18Å; K73-K75 VanDerWaalsContact O-N 3.16Å
76S28.2Very low33.8Very low112 Ų112147.6 Ų147.678%0.78379%0.787SS**  trans73.975.1163.672.50000118.9
77I29.9Very low34.1Very low162 Ų162147.6 Ų147.683%0.83179%0.789SS**  -130.393.6125-57.4178.5000106C79I77-C79 VanDerWaalsContact C-N 3.33Å; I77-C79 PolarHBondContact O-N 2.9Å
78S30.4Very low34Very low107 Ų107149.6 Ų149.675%0.74879%0.791SS**  trans-71.694.3168.853.50000107.9V80S78-V80 PolarHBondContact O-N 3.02Å; S78-V80 VanDerWaalsContact O-N 3.17Å
79C30.7Very low34.2Very low87 Ų87148.7 Ų148.759%0.58879%0.789SS**  trans-58.9110.7154.434.80000107.5I77 H81I77-C79 VanDerWaalsContact C-N 3.33Å; I77-C79 PolarHBondContact O-N 2.9Å; C79-H81 VanDerWaalsContact C-N 3.25Å; C79-H81 PolarHBondContact O-N 2.83Å; C79-H81 PolarHBondContact O-ND1 3.24Å; C79-H81 VanDerWaalsContact O-ND1 3.07Å; C79-H81 VanDerWaalsContact SG-CE1 3.57Å
80V29.6Very low34.1Very low128 Ų128149.9 Ų149.978%0.77679%0.79SS**  trans-59.195.5168.3176.30000106.6S78 T82S78-V80 PolarHBondContact O-N 3.02Å; S78-V80 VanDerWaalsContact O-N 3.17Å; V80-T82 PolarHBondContact O-N 2.85Å; V80-T82 VanDerWaalsContact O-N 3.13Å
81H35.8Very low34.1Very low159 Ų159150.2 Ų150.274%0.73678%0.783SS**  trans-70.798.5163.4-76.269.5000106.2C79 Q83C79-H81 VanDerWaalsContact C-N 3.25Å; C79-H81 PolarHBondContact O-N 2.83Å; C79-H81 PolarHBondContact O-ND1 3.24Å; C79-H81 VanDerWaalsContact O-ND1 3.07Å; C79-H81 VanDerWaalsContact SG-CE1 3.57Å; H81-Q83 PolarHBondContact O-N 3.43Å
82T34.8Very low34.5Very low121 Ų121154.1 Ų154.174%0.74278%0.784SS**  trans-57.3122.5161.43.70000107.5V80 L84V80-T82 PolarHBondContact O-N 2.85Å; V80-T82 VanDerWaalsContact O-N 3.13Å; T82-L84 PolarHBondContact O-N 3.26Å
83Q33.5Very low34.5Very low196 Ų196151 Ų15192%0.91678%0.783SS**  trans-60101.8-180-70.3176.7-9.200110H81 N85H81-Q83 PolarHBondContact O-N 3.43Å; Q83-N85 PolarHBondContact O-N 2.73Å
84L38.1Very low34.6Very low167 Ų167148.7 Ų148.787%0.87477%0.77SS**  trans-75.4111.8166.1-92.2153.8000108.1T82T82-L84 PolarHBondContact O-N 3.26Å
85N35.7Very low34.7Very low146 Ų146143.7 Ų143.778%0.78176%0.755SS**  trans-52123.1178.1-141.2-18.7000110.8Q83 N87Q83-N85 PolarHBondContact O-N 2.73Å; N85-N87 VanDerWaalsContact C-N 3.33Å; N85-N87 PolarHBondContact O-N 3.08Å
86P36.9Very low34.9Very low113 Ų113141.4 Ų141.473%0.73475%0.751SS**SBendtrans-85.115.9-163.732.6-35.2000115.9
87N39Very low35.5Very low140 Ų140140.8 Ų140.875%0.74974%0.743SS**  trans-121.329-163.9-80.1-9.4000117N85N85-N87 VanDerWaalsContact C-N 3.33Å; N85-N87 PolarHBondContact O-N 3.08Å
88K39Very low36.1Very low174 Ų174137 Ų13776%0.75773%0.731SS**SBendtrans-142103.1176.4-80.8-169.3179.9178.20113
89Y39.5Very low36.6Very low210 Ų210137.6 Ų137.682%0.82473%0.725SS**  trans67.992.2157.6-49.5-74000114.6
90Q35.9Very low37.1Very low172 Ų172138.7 Ų138.780%0.80472%0.724SS**  48.4109.563.3-125.5-179.821.400113.3
91N32.4Very low37.8Very low125 Ų125139.5 Ų139.567%0.66872%0.724SS**  trans67101.8164.4-53.1-23.9000114.5
92H40.6Very low38.1Very low143 Ų143140 Ų14066%0.66273%0.727SS**  -171.6119.8105.4-77.3-59.8000109.4Y94H92-Y94 HydrophobicContact CB-CD2 3.64Å; H92-Y94 HydrophobicContact CB-CE1 4.39Å; H92-Y94 HydrophobicContact CB-CE2 3.03Å; H92-Y94 VanDerWaalsContact CB-CZ 3.44Å; H92-Y94 AromaticContact CG-CE2 3.74Å; H92-Y94 AromaticContact CG-CZ 3.78Å; H92-Y94 PolarHBondContact O-N 3.27Å; H92-Y94 VanDerWaalsContact O-N 3.1Å
93S32.4Very low38.4Very low123 Ų123139.9 Ų139.986%0.8672%0.718SS**  trans-63.399.5168.249.70000109.7
94Y37.5Very low38.5Very low160 Ų160136.3 Ų136.363%0.62771%0.712SS**  trans-118.1116.3167.3-60.4-64.3000108.7H92 L96H92-Y94 HydrophobicContact CB-CD2 3.64Å; H92-Y94 HydrophobicContact CB-CE1 4.39Å; H92-Y94 HydrophobicContact CB-CE2 3.03Å; H92-Y94 VanDerWaalsContact CB-CZ 3.44Å; H92-Y94 AromaticContact CG-CE2 3.74Å; H92-Y94 AromaticContact CG-CZ 3.78Å; H92-Y94 PolarHBondContact O-N 3.27Å; H92-Y94 VanDerWaalsContact O-N 3.1Å; Y94-L96 PolarHBondContact O-N 3.02Å; Y94-L96 VanDerWaalsContact O-N 3.16Å
95S35.5Very low38.7Very low79 Ų79135 Ų13555%0.55270%0.695SS**  trans-44.3115.2174-175.10000110.7T97 S98S95-T97 PolarHBondContact O-N 3.37Å; S95-T97 PolarHBondContact OG-OG1 3.01Å; S95-T97 VanDerWaalsContact OG-OG1 3.09Å; S95-S98 PolarHBondContact O-N 3.11Å; S95-S98 VanDerWaalsContact O-N 3.11Å
96L36.8Very low38.8Very low145 Ų145135.6 Ų135.676%0.75970%0.698SS**THydrogen-bonded Turntrans-57.2-17.8-175.8-101.7153.7000113.7Y94 L100Y94-L96 PolarHBondContact O-N 3.02Å; Y94-L96 VanDerWaalsContact O-N 3.16Å; L96-L100 WeakPolarHBondContact O-CD1 3.32Å
97T41.8Very low39.2Very low100 Ų100137.6 Ų137.661%0.61369%0.691SS**THydrogen-bonded Turntrans-83.5-15.7-179.546.50000114.2S95S95-T97 PolarHBondContact O-N 3.37Å; S95-T97 PolarHBondContact OG-OG1 3.01Å; S95-T97 VanDerWaalsContact OG-OG1 3.09Å
98S41.4Very low39.2Very low82 Ų82138.6 Ų138.657%0.57370%0.696SS**THydrogen-bonded Turntrans-103.3-8.9-174.5-58.30000114.7S95S95-S98 PolarHBondContact O-N 3.11Å; S95-S98 VanDerWaalsContact O-N 3.11Å
99L41.8Very low39.2Very low120 Ų120137.4 Ų137.463%0.62870%0.696SS**SBendtrans-95.8-13.3174.2-130.295.4000113.5
100L41.5Very low39.2Very low109 Ų109134.3 Ų134.357%0.57169%0.694SS**SBendtrans-88.6-18.1-178.6-78165000113.4L96L96-L100 WeakPolarHBondContact O-CD1 3.32Å
101D43.6Very low39.7Very low145 Ų145131 Ų13178%0.77568%0.682SS**SBendtrans-91.8-0.3-176.8-82.9-12.9000114.8
102Q42.5Very low40.2Very low171 Ų171134.6 Ų134.680%0.79969%0.687SS**SBendtrans-121.28.7-173.3-70.6-169.3-3.600116.2
103Q41Very low40.8Very low117 Ų117134.4 Ų134.455%0.54769%0.692SS.*SBendtrans-139.5131.6171.3-71.3-160.9-28.600112.6R105Q103-R105 VanDerWaalsContact C-N 3.31Å; Q103-R105 HydrophobicContact CB-CG 4.05Å; Q103-R105 PolarHBondContact O-N 3.33Å
104P35.8Very low41.6Very low121 Ų121132.3 Ų132.379%0.78668%0.677SS**  trans-71.595.7171.231.1-28.7000106.1D106P104-D106 PolarHBondContact O-N 3.01Å
105R41.5Very low42.1Very low140 Ų140133.6 Ų133.653%0.52869%0.686SS.*  trans-99.877.9-164.9-114.1-167.5-159.7-13816.3108.4Q103 W107Q103-R105 VanDerWaalsContact C-N 3.31Å; Q103-R105 HydrophobicContact CB-CG 4.05Å; Q103-R105 PolarHBondContact O-N 3.33Å; R105-W107 VanDerWaalsContact C-CD1 3.49Å; R105-W107 HydrophobicContact CB-CZ2 4Å; R105-W107 HydrophobicContact CG-CZ2 4.37Å; R105-W107 PolarHBondContact O-N 3.35Å; R105-W107 VanDerWaalsContact O-N 3.07Å; R105-W107 PolarHBondContact O-NE1 3.38Å
106D39Very low42.8Very low159 Ų159137.4 Ų137.485%0.8569%0.694SS**  trans-5691.9163.1-71.3-35.4000110P104P104-D106 PolarHBondContact O-N 3.01Å
107W44.6Very low43.2Very low154 Ų154135.8 Ų135.858%0.58368%0.681SS**  trans-148.6124164.725.4-80.2000112.7R105R105-W107 VanDerWaalsContact C-CD1 3.49Å; R105-W107 HydrophobicContact CB-CZ2 4Å; R105-W107 HydrophobicContact CG-CZ2 4.37Å; R105-W107 PolarHBondContact O-N 3.35Å; R105-W107 VanDerWaalsContact O-N 3.07Å; R105-W107 PolarHBondContact O-NE1 3.38Å
108L38.5Very low43.3Very low162 Ų162134.3 Ų134.385%0.84869%0.686SS**  trans7667.6147.9-83.686000117
109I39.2Very low43.2Very low148 Ų148142.2 Ų142.276%0.75970%0.704SS**  -127.5117.2124.7-59.1179.7000106.2D111I109-D111 PolarHBondContact O-N 3.2Å
110D40Very low43.2Very low145 Ų145146.8 Ų146.878%0.77571%0.712SS**  trans-74.862.7-175.4-148.97.1000110.2Y112D110-Y112 PolarHBondContact O-N 3.2Å
111D45.8Very low43.3Very low104 Ų104154 Ų15456%0.55673%0.732SS**  trans-92.390.4169.5-90.3-8.5000108.1I109 D113 S114I109-D111 PolarHBondContact O-N 3.2Å; D111-D113 PolarHBondContact O-N 3.36Å; D111-S114 WeakPolarHBondContact O-CB 3.45Å; D111-S114 PolarHBondContact O-N 3.41Å; D111-S114 PolarHBondContact O-OG 3.1Å
112Y43.6Very low43.4Very low199 Ų199151.9 Ų151.978%0.7872%0.724SS**THydrogen-bonded Turntrans-54.8-18.5170.1-114.3-95.3000112.5D110D110-Y112 PolarHBondContact O-N 3.2Å
113D52.8Low43.7Very low140 Ų140152.1 Ų152.175%0.74973%0.731SS**THydrogen-bonded Turntrans-95.6-3.5177.1-74.3-22.5000115D111 K115D111-D113 PolarHBondContact O-N 3.36Å; D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 3.21Å
114S49.5Very low44Very low78 Ų78154.2 Ų154.255%0.54574%0.741SS.*G310 helixtrans-75.3-15.4179.165.40000113.6D111 H116D111-S114 WeakPolarHBondContact O-CB 3.45Å; D111-S114 PolarHBondContact O-N 3.41Å; D111-S114 PolarHBondContact O-OG 3.1Å; S114-H116 VanDerWaalsContact C-N 3.33Å; S114-H116 PolarHBondContact O-N 3.13Å
115K47.6Very low44.8Very low188 Ų188155.6 Ų155.682%0.81774%0.74SS**G310 helixtrans-81.9-1.5-178.9-69.4-171.7178.4179.70114.9D113D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 3.21Å
116H49.9Very low45.4Very low159 Ų159154.5 Ų154.574%0.73675%0.749SS**G310 helixtrans-115.36.7-171.4-75.8-55.3000116.9S114S114-H116 VanDerWaalsContact C-N 3.33Å; S114-H116 PolarHBondContact O-N 3.13Å
117K46.6Very low46.2Very low110 Ų110157.3 Ų157.348%0.47875%0.747SS.*  trans-111.498.7174.5-71.6-175.7-179.51720110.5W119K117-W119 VanDerWaalsContact O-CD1 3.31Å; K117-W119 PolarHBondContact O-N 3.05Å
118G42.5Very low46.6Very low70 Ų70154.2 Ų154.272%0.72274%0.742SS**  trans-61.499.516300000109.1R120G118-R120 PolarHBondContact O-N 3.45Å
119W40Very low47.6Very low248 Ų248156.6 Ų156.694%0.93975%0.746SS**  trans-66.186.3167.5-77.443.6000108K117K117-W119 VanDerWaalsContact O-CD1 3.31Å; K117-W119 PolarHBondContact O-N 3.05Å
120R40.7Very low48.4Very low215 Ų215156.6 Ų156.681%0.81174%0.742SS**  trans-95.2112.6172-70.6-164.8-179.5-172.92.5108.7G118 T122G118-R120 PolarHBondContact O-N 3.45Å; R120-T122 PolarHBondContact O-N 2.82Å; R120-T122 PolarHBondContact O-OG1 2.87Å; R120-T122 VanDerWaalsContact O-OG1 3.11Å
121R44.9Very low49Very low261 Ų261154 Ų15499%0.98574%0.735SS**SBendtrans19.39.5146.4-75.7-175.2174.6168.1-1.3122.8
122T46.3Very low49.6Very low100 Ų100158.8 Ų158.861%0.61375%0.752SS**SBendtrans-122.6120.7172.746.80000104.4R120 Q124R120-T122 PolarHBondContact O-N 2.82Å; R120-T122 PolarHBondContact O-OG1 2.87Å; R120-T122 VanDerWaalsContact O-OG1 3.11Å; T122-Q124 PolarHBondContact O-N 2.92Å
123D48Very low50.4Low177 Ų177154.6 Ų154.695%0.94775%0.747SS**SBendtrans-64.136-176.2-65-44.3000114.5
124Q46.6Very low51Low160 Ų160156.2 Ų156.275%0.74875%0.748SS**  trans-116.4101.7177.3-65.2-174.12.800107.6T122 V126T122-Q124 PolarHBondContact O-N 2.92Å; Q124-V126 PolarHBondContact O-N 3.16Å
125I54.1Low51.9Low151 Ų151157 Ų15777%0.77475%0.746SS**  trans-58.8105.4166.9-61.3170.9000106.6R127I125-R127 PolarHBondContact O-N 3.25Å
126V54Low53.3Low116 Ų116151.2 Ų151.270%0.70373%0.729SS**  trans-60.3103.5169.51790000106.6Q124 N128Q124-V126 PolarHBondContact O-N 3.16Å; V126-N128 PolarHBondContact O-N 3.2Å
127R54.4Low54.8Low219 Ų219149.3 Ų149.383%0.82672%0.723SS**  trans-64.2115.8172-67.3-179.3-179.7167.50.2106.4I125 K129I125-R127 PolarHBondContact O-N 3.25Å; R127-K129 PolarHBondContact O-N 3.2Å
128N54Low56.4Low88 Ų88151.7 Ų151.747%0.47173%0.731SS.*  trans-50127.8165.9-95.811.3000107.1V126 E130V126-N128 PolarHBondContact O-N 3.2Å; N128-E130 HydrophobicContact CB-CB 4.43Å; N128-E130 PolarHBondContact ND2-OE2 3.19Å; N128-E130 PolarHBondContact O-N 3.41Å
129K59.5Low58.2Low213 Ų213156.9 Ų156.993%0.92673%0.729SS**  trans-75.510.8173.1-72.1-173.7177.6-179.40112.3R127 S131R127-K129 PolarHBondContact O-N 3.2Å; K129-S131 PolarHBondContact O-N 2.79Å
130E55Low60.2Low147 Ų147150.7 Ų150.769%0.68771%0.71SS**  trans-73.6114.6172.9-71.5167.9161.900107.7N128 F132N128-E130 HydrophobicContact CB-CB 4.43Å; N128-E130 PolarHBondContact ND2-OE2 3.19Å; N128-E130 PolarHBondContact O-N 3.41Å; E130-F132 PolarHBondContact O-N 2.95Å; E130-F132 VanDerWaalsContact O-N 3.08Å
131S54.2Low62.5Low90 Ų90145.5 Ų145.563%0.62970%0.695SS**  trans-57.8114.716938.80000107.6K129 T133K129-S131 PolarHBondContact O-N 2.79Å; S131-T133 PolarHBondContact O-N 3.43Å; S131-T133 PolarHBondContact O-OG1 3.3Å; S131-T133 WeakPolarHBondContact OG-CG2 3.48Å
132F58.4Low64.2Low205 Ų205138.8 Ų138.890%0.89967%0.673SS**  trans-60.489.4164.2-128.2-92.3000106.1E130 K134E130-F132 PolarHBondContact O-N 2.95Å; E130-F132 VanDerWaalsContact O-N 3.08Å; F132-K134 VanDerWaalsContact C-N 3.27Å; F132-K134 PolarHBondContact O-N 2.83Å
133T59.1Low66.1Low112 Ų112137.3 Ų137.369%0.68767%0.665SS**  trans-84.8-2.7-165.826.90000112.8S131S131-T133 PolarHBondContact O-N 3.43Å; S131-T133 PolarHBondContact O-OG1 3.3Å; S131-T133 WeakPolarHBondContact OG-CG2 3.48Å
134K65.4Low67.8Low174 Ų174135.3 Ų135.376%0.75766%0.662SS**  trans-121.1100.8-176.7-63-176.1-178.3178.40109.2F132F132-K134 VanDerWaalsContact C-N 3.27Å; F132-K134 PolarHBondContact O-N 2.83Å
135N68.8Low69.8Low94 Ų94135.8 Ų135.850%0.50366%0.662SS.*  trans-68.7150.4159.7-77.2-35.9000108.3R139 E140N135-R139 HydrophobicContact CB-CB 4.31Å; N135-E140 HydrophobicContact CB-CG 3.95Å
136S78Confident71.1Confident67 Ų67137.4 Ų137.447%0.46967%0.666SS.*  trans-63.2146.1172.161.50000109.8Y138 R139 E140S136-Y138 PolarHBondContact O-N 3.34Å; S136-R139 WeakPolarHBondContact O-CB 3.5Å; S136-R139 PolarHBondContact O-N 3.17Å; S136-E140 PolarHBondContact O-N 3.45Å
137L80.7Confident72.3Confident118 Ų118136 Ų13662%0.61867%0.667SS**Hα-helixtrans-48.2-37.3177.6-166.286.7000112.1E140 Q141L137-E140 PolarHBondContact O-N 3.07Å; L137-Q141 WeakPolarHBondContact O-CB 3.34Å; L137-Q141 WeakPolarHBondContact O-CG 3.46Å; L137-Q141 PolarHBondContact O-N 2.7Å
138Y80.2Confident73.4Confident161 Ų161132.8 Ų132.863%0.63167%0.665SS**Hα-helixtrans-63.3-44176.1-177.1-94.3000113.2S136 E140 Q141 F142S136-Y138 PolarHBondContact O-N 3.34Å; Y138-E140 PolarHBondContact O-N 3.01Å; Y138-Q141 PolarHBondContact O-N 2.92Å; Y138-F142 AromaticContact CD2-CD2 3.59Å; Y138-F142 HydrophobicContact CD2-CD2 3.59Å; Y138-F142 AromaticContact CD2-CE2 3.98Å; Y138-F142 HydrophobicContact CD2-CE2 3.98Å; Y138-F142 HydrophobicContact CD2-CG 4.46Å; Y138-F142 AromaticContact CE2-CD2 3.66Å; Y138-F142 HydrophobicContact CE2-CD2 3.66Å; Y138-F142 HydrophobicContact CE2-CE2 4.1Å; Y138-F142 HydrophobicContact CE2-CG 4.14Å; Y138-F142 HydrophobicContact CG-CD2 4.22Å; Y138-F142 WeakPolarHBondContact O-CD2 3.44Å; Y138-F142 PolarHBondContact O-N 3.36Å
139R80.9Confident74Confident179 Ų179137.1 Ų137.168%0.67568%0.683SS**Hα-helixtrans-65.6-30178.4-81.7-176.1171.8-148.5-1.2112.3N135 S136N135-R139 HydrophobicContact CB-CB 4.31Å; S136-R139 WeakPolarHBondContact O-CB 3.5Å; S136-R139 PolarHBondContact O-N 3.17Å
140E82.1Confident74.2Confident118 Ų118133.1 Ų133.155%0.55168%0.676SS**Hα-helixtrans-77.2-39175.9-65.9-177.4170.500112.4N135 S136 L137 Y138N135-E140 HydrophobicContact CB-CG 3.95Å; S136-E140 PolarHBondContact O-N 3.45Å; L137-E140 PolarHBondContact O-N 3.07Å; Y138-E140 PolarHBondContact O-N 3.01Å
141Q87.3Confident74.6Confident106 Ų106134 Ų13450%0.49568%0.68SS.*Hα-helixtrans-81.7-23.1-176.3-70.9179.2-6.300114.2L137 Y138 P143L137-Q141 WeakPolarHBondContact O-CB 3.34Å; L137-Q141 WeakPolarHBondContact O-CG 3.46Å; L137-Q141 PolarHBondContact O-N 2.7Å; Y138-Q141 PolarHBondContact O-N 2.92Å; Q141-P143 WeakPolarHBondContact O-CD 3.43Å
142F82.5Confident74.6Confident119 Ų119135 Ų13552%0.52269%0.685SS.*  trans-12657.8-175.4-59.8-85.5000113.4Y138Y138-F142 AromaticContact CD2-CD2 3.59Å; Y138-F142 HydrophobicContact CD2-CD2 3.59Å; Y138-F142 AromaticContact CD2-CE2 3.98Å; Y138-F142 HydrophobicContact CD2-CE2 3.98Å; Y138-F142 HydrophobicContact CD2-CG 4.46Å; Y138-F142 AromaticContact CE2-CD2 3.66Å; Y138-F142 HydrophobicContact CE2-CD2 3.66Å; Y138-F142 HydrophobicContact CE2-CE2 4.1Å; Y138-F142 HydrophobicContact CE2-CG 4.14Å; Y138-F142 HydrophobicContact CG-CD2 4.22Å; Y138-F142 WeakPolarHBondContact O-CD2 3.44Å; Y138-F142 PolarHBondContact O-N 3.36Å
143P85.8Confident74.9Confident70 Ų70131.7 Ų131.746%0.45568%0.681SS.*PPolyproline II helixtrans-66.6160165.531.6-34.4000110.1Q141 K145Q141-P143 WeakPolarHBondContact O-CD 3.43Å; P143-K145 PolarHBondContact O-N 2.91Å; P143-K145 VanDerWaalsContact O-N 3.1Å
144P84Confident75.2Confident134 Ų134134.7 Ų134.787%0.8768%0.684SS**PPolyproline II helixtrans-54.1119.1169.9-20.631.5000109.8
145K87.2Confident75.1Confident171 Ų171132.4 Ų132.474%0.74369%0.687SS**PPolyproline II helixtrans-97.1124.1176.5-63.3-177.6-177179.60108.4P143P143-K145 PolarHBondContact O-N 2.91Å; P143-K145 VanDerWaalsContact O-N 3.1Å
146E82.2Confident75Confident185 Ų185133.7 Ų133.786%0.86470%0.698SS**PPolyproline II helixtrans-74.1132.4167.8-66.6-174.6172.600108.4
147A78.5Confident74.4Confident87 Ų87138.2 Ų138.272%0.71971%0.712SS**PPolyproline II helixtrans-70137.3172.200000108.7H149A147-H149 PolarHBondContact O-N 3.36Å
148D78.2Confident73.8Confident150 Ų150137.7 Ų137.780%0.80271%0.708SS**PPolyproline II helixtrans-49.9137.4171.1-73.2-30.5000109.4V150D148-V150 PolarHBondContact O-N 3.4Å
149H66.4Low72.8Confident180 Ų180134 Ų13483%0.83370%0.704SS**  trans-6486.6173.5-86.334.9000109A147 Q151A147-H149 PolarHBondContact O-N 3.36Å; H149-Q151 VanDerWaalsContact C-N 3.28Å; H149-Q151 PolarHBondContact O-N 2.97Å
150V64.1Low72Confident129 Ų129133.2 Ų133.278%0.78271%0.712SS**  trans-65.397.8164.4-177.60000105.4D148 P152D148-V150 PolarHBondContact O-N 3.4Å; V150-P152 WeakPolarHBondContact O-CD 3.3Å; V150-P152 VanDerWaalsContact O-N 3.15Å
151Q63.3Low70.6Confident164 Ų164136.9 Ų136.977%0.76673%0.726SS**  trans-54.1124.4173.3-71-172.25.100107.2H149 V153H149-Q151 VanDerWaalsContact C-N 3.28Å; H149-Q151 PolarHBondContact O-N 2.97Å; Q151-V153 PolarHBondContact O-N 3.2Å
152P54.2Low69.4Low113 Ų113137.8 Ų137.873%0.73474%0.739SS**  trans-61.1111.517623.5-30.7000107.2V150 K154V150-P152 WeakPolarHBondContact O-CD 3.3Å; V150-P152 VanDerWaalsContact O-N 3.15Å; P152-K154 VanDerWaalsContact C-N 3.35Å; P152-K154 PolarHBondContact O-N 3.1Å
153V64.8Low68.3Low135 Ų135137.7 Ų137.782%0.81875%0.754SS**  trans-59.9104.2169.8179.80000105.7Q151Q151-V153 PolarHBondContact O-N 3.2Å
154K63.7Low67.5Low174 Ų174142.4 Ų142.476%0.75777%0.769SS**  trans-59.2131.8175.1-70.6-179.3-179.2175.20107P152 V156P152-K154 VanDerWaalsContact C-N 3.35Å; P152-K154 PolarHBondContact O-N 3.1Å; K154-V156 PolarHBondContact O-N 2.98Å
155P64.4Low66.6Low126 Ų126144.4 Ų144.482%0.81877%0.765SS**  trans-59115.9175.223.3-31.4000108.6H157P155-H157 PolarHBondContact O-N 2.87Å
156V66.3Low65.6Low122 Ų122144.8 Ų144.874%0.73977%0.766SS**  trans-75.6111.5174.6179.30000107K154 I158K154-V156 PolarHBondContact O-N 2.98Å; V156-I158 HydrophobicContact CG1-CG1 4.29Å; V156-I158 PolarHBondContact O-N 2.88Å; V156-I158 VanDerWaalsContact O-N 3.15Å
157H65.3Low64.7Low162 Ų162141.3 Ų141.375%0.7576%0.758SS**  trans-72105172.9178.2-95.9000109P155 P159P155-H157 PolarHBondContact O-N 2.87Å; H157-P159 WeakPolarHBondContact O-CD 3.31Å
158I69.3Low64.3Low107 Ų107142.8 Ų142.855%0.54975%0.754SS.*  trans-89108.8172.5-57.6173000107.2V156 L160V156-I158 HydrophobicContact CG1-CG1 4.29Å; V156-I158 PolarHBondContact O-N 2.88Å; V156-I158 VanDerWaalsContact O-N 3.15Å; I158-L160 PolarHBondContact O-N 2.79Å
159P59.4Low63.8Low83 Ų83143.2 Ų143.254%0.53975%0.749SS.*  trans-67.9124.6173.7-1.215.9000108.4H157 K161H157-P159 WeakPolarHBondContact O-CD 3.31Å; P159-K161 PolarHBondContact O-N 3.23Å
160L62.2Low63.9Low163 Ų163137.5 Ų137.585%0.85373%0.729SS**  trans-64.6100.5169.6-69.3168.4000108.2I158 T162I158-L160 PolarHBondContact O-N 2.79Å; L160-T162 PolarHBondContact O-N 3.47Å; L160-T162 VanDerWaalsContact O-N 3.08Å
161K52.9Low64.3Low194 Ų194137.3 Ų137.384%0.84372%0.722SS**  trans-7690.9170.4-70.9-175.1180178.80108.3P159 S163P159-K161 PolarHBondContact O-N 3.23Å; K161-S163 PolarHBondContact O-N 3.14Å
162T63.2Low64.4Low125 Ų125134.4 Ų134.477%0.76771%0.705SS**  trans-81.693.5164.554.80000107.7L160 E164L160-T162 PolarHBondContact O-N 3.47Å; L160-T162 VanDerWaalsContact O-N 3.08Å; T162-E164 PolarHBondContact O-N 2.72Å
163S59.9Low65.2Low118 Ų118132.8 Ų132.883%0.82569%0.693SS**  trans-75.5-9173.350.80000112.9K161 K165K161-S163 PolarHBondContact O-N 3.14Å; S163-K165 PolarHBondContact O-N 3.48Å
164E68.5Low65.4Low168 Ų168130.7 Ų130.779%0.78568%0.677SS**  trans-78.9112.1-176.5-162.2161.8-157.200110T162 F166T162-E164 PolarHBondContact O-N 2.72Å; E164-F166 PolarHBondContact O-N 3.21Å
165K65.1Low65.9Low177 Ų177128.5 Ų128.577%0.7767%0.67SS**  trans-67.1133.2170.4-66.7-179.3-179.4178.30107.5S163 T167S163-K165 PolarHBondContact O-N 3.48Å; K165-T167 PolarHBondContact O-N 3.05Å
166F65.6Low65.9Low178 Ų178127.7 Ų127.778%0.78165%0.651SS**  trans-57.8108.9173.4-169.4-100.8000109.7E164 D168E164-F166 PolarHBondContact O-N 3.21Å; F166-D168 HydrophobicContact CD1-CB 4.38Å; F166-D168 HydrophobicContact CE1-CB 3.77Å; F166-D168 WeakPolarHBondContact CE1-O 3.42Å; F166-D168 HydrophobicContact CE2-CB 4.12Å; F166-D168 HydrophobicContact CZ-CB 3.62Å
167T64.7Low66.1Low113 Ų113127.1 Ų127.169%0.69364%0.643SS**  trans-96.2-6.4179.548.70000113.4K165 K169K165-T167 PolarHBondContact O-N 3.05Å; T167-K169 PolarHBondContact O-N 3.03Å; T167-K169 VanDerWaalsContact O-N 3.1Å
168D68.4Low65.9Low118 Ų118128.8 Ų128.863%0.63164%0.643SS**  trans-72.5108.4-176.3-76.7-8.2000110.7F166F166-D168 HydrophobicContact CD1-CB 4.38Å; F166-D168 HydrophobicContact CE1-CB 3.77Å; F166-D168 WeakPolarHBondContact CE1-O 3.42Å; F166-D168 HydrophobicContact CE2-CB 4.12Å; F166-D168 HydrophobicContact CZ-CB 3.62Å
169K67.8Low65.8Low158 Ų158133.2 Ų133.269%0.68765%0.653SS**  trans-89.3131.5160.8-65.6-178.8-177.3177.50107.3T167T167-K169 PolarHBondContact O-N 3.03Å; T167-K169 VanDerWaalsContact O-N 3.1Å
170S69.5Low65.9Low60 Ų60134.9 Ų134.942%0.4266%0.663SS.*  trans-61.6146.4173.568.90000110.1Y172 T173 D174S170-Y172 PolarHBondContact O-N 2.77Å; S170-Y172 VanDerWaalsContact O-N 3.08Å; S170-T173 PolarHBondContact N-OG1 3.04Å; S170-T173 VanDerWaalsContact N-OG1 3.14Å; S170-T173 PolarHBondContact O-N 3.15Å; S170-T173 PolarHBondContact O-OG1 3.29Å; S170-T173 WeakPolarHBondContact OG-CG2 3.41Å; S170-T173 PolarHBondContact OG-N 2.78Å; S170-T173 VanDerWaalsContact OG-N 3.09Å; S170-T173 PolarHBondContact OG-OG1 2.87Å; S170-D174 PolarHBondContact O-N 2.72Å
171I72.7Confident65.8Low126 Ų126134.3 Ų134.365%0.64666%0.659SS**Hα-helixtrans-51.8-36.1172.3-62.7168.4000110.2T173 D174 E175I171-T173 PolarHBondContact O-N 3.07Å; I171-D174 PolarHBondContact O-N 3.32Å; I171-E175 HydrophobicContact CG2-CG 4.09Å; I171-E175 WeakPolarHBondContact CG2-OE1 3.1Å; I171-E175 WeakPolarHBondContact O-CB 3.27Å; I171-E175 WeakPolarHBondContact O-CG 3.49Å; I171-E175 PolarHBondContact O-N 3.17Å
172Y65.9Low66Low103 Ų103132.3 Ų132.340%0.40466%0.656SS.*Hα-helixtrans-59-45.3176.1-175.4-93.3000113.2S170 D174 E175 Y176 M249S170-Y172 PolarHBondContact O-N 2.77Å; S170-Y172 VanDerWaalsContact O-N 3.08Å; Y172-D174 VanDerWaalsContact C-N 3.28Å; Y172-D174 PolarHBondContact O-N 3.44Å; Y172-E175 PolarHBondContact O-N 3.33Å; Y172-Y176 AromaticContact CD2-CD2 3.38Å; Y172-Y176 HydrophobicContact CD2-CD2 3.38Å; Y172-Y176 AromaticContact CD2-CE2 3.48Å; Y172-Y176 HydrophobicContact CD2-CE2 3.48Å; Y172-Y176 VanDerWaalsContact CD2-CE2 3.48Å; Y172-Y176 HydrophobicContact CD2-CG 4.18Å; Y172-Y176 HydrophobicContact CE1-CG 4.5Å; Y172-Y176 HydrophobicContact CE2-CD1 4.15Å; Y172-Y176 AromaticContact CE2-CD2 3.33Å; Y172-Y176 HydrophobicContact CE2-CD2 3.33Å; Y172-Y176 HydrophobicContact CE2-CE1 4.24Å; Y172-Y176 AromaticContact CE2-CE2 3.45Å; Y172-Y176 HydrophobicContact CE2-CE2 3.45Å; Y172-Y176 VanDerWaalsContact CE2-CE2 3.45Å; Y172-Y176 AromaticContact CE2-CG 3.7Å; Y172-Y176 HydrophobicContact CE2-CG 3.7Å; Y172-Y176 AromaticContact CE2-CZ 3.91Å; Y172-Y176 HydrophobicContact CG-CD2 4.01Å; Y172-Y176 HydrophobicContact CG-CE2 4.47Å; Y172-Y176 AromaticContact CZ-CD2 3.91Å; Y172-Y176 AromaticContact CZ-CG 3.85Å; Y172-Y176 WeakPolarHBondContact O-CB 3.44Å; Y172-Y176 WeakPolarHBondContact O-CD2 3.38Å; Y172-Y176 PolarHBondContact O-N 3.08Å; Y172-M249 WeakPolarHBondContact OH-CE 3.16Å; Y172-M249 PolarHBondContact OH-SD 2.92Å
173T70.8Confident65.5Low78 Ų78131.1 Ų131.148%0.47964%0.644SS.*Hα-helixtrans-68.4-26.8179.442.10000113.3S170 I171S170-T173 PolarHBondContact N-OG1 3.04Å; S170-T173 VanDerWaalsContact N-OG1 3.14Å; S170-T173 PolarHBondContact O-N 3.15Å; S170-T173 PolarHBondContact O-OG1 3.29Å; S170-T173 WeakPolarHBondContact OG-CG2 3.41Å; S170-T173 PolarHBondContact OG-N 2.78Å; S170-T173 VanDerWaalsContact OG-N 3.09Å; S170-T173 PolarHBondContact OG-OG1 2.87Å; I171-T173 PolarHBondContact O-N 3.07Å
174D68.8Low64.9Low91 Ų91130.8 Ų130.849%0.48763%0.633SS.*Hα-helixtrans-84.2-31.7177.7-72.3-12.7000112.3S170 I171 Y172 I177S170-D174 PolarHBondContact O-N 2.72Å; I171-D174 PolarHBondContact O-N 3.32Å; Y172-D174 VanDerWaalsContact C-N 3.28Å; Y172-D174 PolarHBondContact O-N 3.44Å; D174-I177 VanDerWaalsContact O-CD1 3.25Å; D174-I177 WeakPolarHBondContact O-CD1 3.24Å; D174-I177 WeakPolarHBondContact O-CG1 3.49Å
175E73Confident64.1Low129 Ų129131.2 Ų131.260%0.60363%0.629SS**Hα-helixtrans-86.6-31.9-178.4-70.4-174.6173.400113.7I171 Y172 I177I171-E175 HydrophobicContact CG2-CG 4.09Å; I171-E175 WeakPolarHBondContact CG2-OE1 3.1Å; I171-E175 WeakPolarHBondContact O-CB 3.27Å; I171-E175 WeakPolarHBondContact O-CG 3.49Å; I171-E175 PolarHBondContact O-N 3.17Å; Y172-E175 PolarHBondContact O-N 3.33Å; E175-I177 PolarHBondContact O-N 3.03Å
176Y65.2Low63.4Low109 Ų109126.6 Ų126.643%0.42762%0.619SS.*SBendtrans-99.458.5-176.9-68.9-96000112.2Y172Y172-Y176 AromaticContact CD2-CD2 3.38Å; Y172-Y176 HydrophobicContact CD2-CD2 3.38Å; Y172-Y176 AromaticContact CD2-CE2 3.48Å; Y172-Y176 HydrophobicContact CD2-CE2 3.48Å; Y172-Y176 VanDerWaalsContact CD2-CE2 3.48Å; Y172-Y176 HydrophobicContact CD2-CG 4.18Å; Y172-Y176 HydrophobicContact CE1-CG 4.5Å; Y172-Y176 HydrophobicContact CE2-CD1 4.15Å; Y172-Y176 AromaticContact CE2-CD2 3.33Å; Y172-Y176 HydrophobicContact CE2-CD2 3.33Å; Y172-Y176 HydrophobicContact CE2-CE1 4.24Å; Y172-Y176 AromaticContact CE2-CE2 3.45Å; Y172-Y176 HydrophobicContact CE2-CE2 3.45Å; Y172-Y176 VanDerWaalsContact CE2-CE2 3.45Å; Y172-Y176 AromaticContact CE2-CG 3.7Å; Y172-Y176 HydrophobicContact CE2-CG 3.7Å; Y172-Y176 AromaticContact CE2-CZ 3.91Å; Y172-Y176 HydrophobicContact CG-CD2 4.01Å; Y172-Y176 HydrophobicContact CG-CE2 4.47Å; Y172-Y176 AromaticContact CZ-CD2 3.91Å; Y172-Y176 AromaticContact CZ-CG 3.85Å; Y172-Y176 WeakPolarHBondContact O-CB 3.44Å; Y172-Y176 WeakPolarHBondContact O-CD2 3.38Å; Y172-Y176 PolarHBondContact O-N 3.08Å
177I71.2Confident62.5Low110 Ų110126 Ų12656%0.56462%0.618SS**  trans-85.4140.3173.8-50.4167.4000109.2D174 E175 R179D174-I177 VanDerWaalsContact O-CD1 3.25Å; D174-I177 WeakPolarHBondContact O-CD1 3.24Å; D174-I177 WeakPolarHBondContact O-CG1 3.49Å; E175-I177 PolarHBondContact O-N 3.03Å; I177-R179 PolarHBondContact O-N 3.28Å; I177-R179 VanDerWaalsContact O-N 3.16Å
178W59.9Low61.6Low197 Ų197125 Ų12575%0.74662%0.616SS**  trans-54.4117.4169.8-76.694.3000111.2P247W178-P247 HydrophobicContact CH2-CB 3.41Å; W178-P247 VanDerWaalsContact CH2-CB 3.41Å; W178-P247 HydrophobicContact CH2-CG 3.52Å; W178-P247 HydrophobicContact CZ2-CB 3.86Å; W178-P247 HydrophobicContact CZ2-CG 3.54Å; W178-P247 HydrophobicContact CZ3-CB 4.13Å
179R67.5Low60.7Low200 Ų200128.4 Ų128.476%0.75563%0.625SS**  trans-116.3135.5173.1-65.5-169.3-176.1-156.10.1110.9I177 I181I177-R179 PolarHBondContact O-N 3.28Å; I177-R179 VanDerWaalsContact O-N 3.16Å; R179-I181 PolarHBondContact O-N 3.04Å
180P60.6Low59.5Low117 Ų117128.8 Ų128.876%0.7663%0.629SS**  trans-66.9131.3172.626.9-31.4000109.9I182P180-I182 PolarHBondContact O-N 3.23Å
181I60.9Low58.3Low151 Ų151133.8 Ų133.877%0.77465%0.646SS**  trans-79.5110173.4-59.2171.6000107.2R179 I183R179-I181 PolarHBondContact O-N 3.04Å; I181-I183 HydrophobicContact CG2-CG1 4.12Å; I181-I183 PolarHBondContact O-N 2.69Å
182I56.6Low56.6Low152 Ų152138 Ų13878%0.77966%0.659SS**  trans-81.3107.4170.6-57.3174.2000106.8P180 D184P180-I182 PolarHBondContact O-N 3.23Å; I182-D184 PolarHBondContact O-N 2.95Å
183I54Low55.4Low100 Ų100139.5 Ų139.551%0.51367%0.674SS.*  trans-83.9105.4171.6-57.9173.4000107.1I181 Y185I181-I183 HydrophobicContact CG2-CG1 4.12Å; I181-I183 PolarHBondContact O-N 2.69Å; I183-Y185 HydrophobicContact CB-CD2 4.19Å; I183-Y185 HydrophobicContact CB-CE2 3.7Å; I183-Y185 HydrophobicContact CG2-CD1 4.12Å; I183-Y185 HydrophobicContact CG2-CD2 3.86Å; I183-Y185 HydrophobicContact CG2-CE1 3.83Å; I183-Y185 HydrophobicContact CG2-CE2 3.55Å; I183-Y185 HydrophobicContact CG2-CG 4.14Å; I183-Y185 VanDerWaalsContact O-CD2 3.22Å; I183-Y185 WeakPolarHBondContact O-CD2 3.47Å; I183-Y185 PolarHBondContact O-N 2.66Å
184D46.1Very low53.7Low112 Ų112147.7 Ų147.760%0.59970%0.696SS**  trans-78.887.9176.1-144-19.9000109.3I182 S186I182-D184 PolarHBondContact O-N 2.95Å; D184-S186 PolarHBondContact O-N 2.7Å; D184-S186 VanDerWaalsContact O-N 3.08Å; D184-S186 PolarHBondContact OD1-OG 2.88Å
185Y52.5Low52.3Low176 Ų176149.5 Ų149.569%0.6971%0.705SS**THydrogen-bonded Turntrans-66.2-5.2180-71.9-82000113.4I183I183-Y185 HydrophobicContact CB-CD2 4.19Å; I183-Y185 HydrophobicContact CB-CE2 3.7Å; I183-Y185 HydrophobicContact CG2-CD1 4.12Å; I183-Y185 HydrophobicContact CG2-CD2 3.86Å; I183-Y185 HydrophobicContact CG2-CE1 3.83Å; I183-Y185 HydrophobicContact CG2-CE2 3.55Å; I183-Y185 HydrophobicContact CG2-CG 4.14Å; I183-Y185 VanDerWaalsContact O-CD2 3.22Å; I183-Y185 WeakPolarHBondContact O-CD2 3.47Å; I183-Y185 PolarHBondContact O-N 2.66Å
186S49.8Very low50.4Low80 Ų80149.6 Ų149.656%0.55972%0.717SS**THydrogen-bonded Turntrans-79.4-16-173.665.50000114.3D184D184-S186 PolarHBondContact O-N 2.7Å; D184-S186 VanDerWaalsContact O-N 3.08Å; D184-S186 PolarHBondContact OD1-OG 2.88Å
187H45.8Very low49.3Very low165 Ų165150 Ų15076%0.76473%0.725SS**SBendtrans-116.84.8-171.9-76.247.9000115.2K189H187-K189 PolarHBondContact O-N 3.05Å
188S45.8Very low47.6Very low93 Ų93153.4 Ų153.465%0.6574%0.739SS**THydrogen-bonded Turntrans-93.517.9-171.854.70000115.8
189K50.3Low46.3Very low189 Ų189152.4 Ų152.482%0.82274%0.744SS**THydrogen-bonded Turntrans-79.9-11.8179.3-78.2-172.3177.6179.50115.6H187H187-K189 PolarHBondContact O-N 3.05Å
190H43.8Very low45.1Very low166 Ų166149.5 Ų149.577%0.76974%0.742SS**SBendtrans-134.57-165.7-74.1-69.9000119.4
191H42.6Very low44.2Very low166 Ų166149.9 Ų149.977%0.76975%0.745SS**  trans-122.495173.5-89.6-69000113L193H191-L193 HydrophobicContact CB-CD1 4.38Å; H191-L193 PolarHBondContact O-N 2.71Å
192K37.4Very low43.3Very low213 Ų213147.9 Ų147.993%0.92674%0.744SS**  trans-68.370.9157.9-78.5-179.9176.21750109.2
193L41.5Very low43Very low136 Ų136149.8 Ų149.871%0.71275%0.747SS**  trans-90.5104.6163.4-79.8163.8000107.2H191 L195H191-L193 HydrophobicContact CB-CD1 4.38Å; H191-L193 PolarHBondContact O-N 2.71Å; L193-L195 PolarHBondContact O-N 3.45Å
194R34.1Very low42.5Very low249 Ų249151.1 Ų151.194%0.9476%0.762SS**  trans-65.294.2170.4-78.5-177.1170.5171.7-3108.4
195L39.9Very low42.5Very low129 Ų129156.8 Ų156.868%0.67578%0.775SS**  trans-97141160.6-70.8171.7000108.4L193 I197L193-L195 PolarHBondContact O-N 3.45Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 HydrophobicContact CB-CD1 4.42Å; L195-I197 HydrophobicContact CB-CG1 4.2Å; L195-I197 PolarHBondContact O-N 3.21Å
196P34Very low42.1Very low132 Ų132155.4 Ų155.486%0.85778%0.78SS**  trans-74.990.7177.331.4-29.3000107.7
197I41.3Very low41.9Very low118 Ų118160.1 Ų160.161%0.60579%0.793SS**  trans-106.889.6173.3-56.1177.9000106.4L195 I200L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 HydrophobicContact CB-CD1 4.42Å; L195-I197 HydrophobicContact CB-CG1 4.2Å; L195-I197 PolarHBondContact O-N 3.21Å; I197-I200 HydrophobicContact CG2-CG1 4.33Å
198E35Very low42Very low181 Ų181156.7 Ų156.785%0.84679%0.788SS**  trans-62.3135.2150.8-72.8-174.115400107.7
199M33.6Very low41.9Very low176 Ų176158.8 Ų158.887%0.86779%0.791SS**  trans75.371.6165.6-55.1178.859.200118.6
200I41.3Very low41.4Very low138 Ų138158.4 Ų158.471%0.70880%0.795SS**  trans-135.9115.4139.3-55.4178.1000107.6I197 S202I197-I200 HydrophobicContact CG2-CG1 4.33Å; I200-S202 PolarHBondContact O-N 3.43Å; I200-S202 VanDerWaalsContact O-N 3.12Å
201P42.7Very low41.2Very low125 Ų125157 Ų15781%0.81279%0.791SS**  trans-65.7115.9172.6-11.326.1000108.6K203P201-K203 PolarHBondContact O-N 2.91Å
202S41Very low40.9Very low110 Ų110153.9 Ų153.977%0.76979%0.788SS**  trans-50.6125.2167.250.80000110.5I200I200-S202 PolarHBondContact O-N 3.43Å; I200-S202 VanDerWaalsContact O-N 3.12Å
203K50.2Low41.1Very low191 Ų191152 Ų15283%0.8379%0.787SS**SBendtrans29.9130.6161.7-68.6-176.8176.3-176.60117.7P201 R205P201-K203 PolarHBondContact O-N 2.91Å; K203-R205 PolarHBondContact O-N 3.32Å
204P44.3Very low40.6Very low129 Ų129148.2 Ų148.284%0.83878%0.78SS**  trans-59.2119.5172.929.3-31.5000107.7D206P204-D206 PolarHBondContact O-N 2.89Å
205R45.8Very low40.6Very low231 Ų231145.2 Ų145.287%0.87278%0.777SS**  trans-68.1122.5170.3-149.8176-171.3174.90.9104.8K203 E207K203-R205 PolarHBondContact O-N 3.32Å; R205-E207 PolarHBondContact O-N 3.16Å
206D44Very low40.3Very low147 Ų147146.1 Ų146.179%0.78678%0.782SS**  trans-51.1110172.9-89.6-37.8000109P204 S208P204-D206 PolarHBondContact O-N 2.89Å; D206-S208 PolarHBondContact O-N 3.41Å
207E46.1Very low40.3Very low178 Ų178145.3 Ų145.383%0.83278%0.775SS**  trans-81.319.5175.5-67.5-169.3164.100111.9R205 N209R205-E207 PolarHBondContact O-N 3.16Å; E207-N209 PolarHBondContact O-N 3.28Å
208S47.9Very low39.9Very low94 Ų94147.7 Ų147.766%0.65779%0.785SS**THydrogen-bonded Turntrans-749.7-179.164.90000114.6D206D206-S208 PolarHBondContact O-N 3.41Å
209N44.2Very low39.7Very low136 Ų136144.4 Ų144.473%0.72778%0.782SS**THydrogen-bonded Turntrans-133.98.4-175.4-84.3-17.3000115.7E207 I211E207-N209 PolarHBondContact O-N 3.28Å; N209-I211 VanDerWaalsContact C-N 3.34Å; N209-I211 PolarHBondContact O-N 3.17Å; N209-I211 VanDerWaalsContact O-N 3.17Å
210M38.6Very low40Very low181 Ų181140.6 Ų140.689%0.89278%0.779SS**  trans-9278.8172.4-68.6-15374.100110.9
211I40.9Very low39.6Very low136 Ų136140.1 Ų140.170%0.69779%0.785SS**  trans-51.2134.6168.3-65.8162.5000110N209 I213N209-I211 VanDerWaalsContact C-N 3.34Å; N209-I211 PolarHBondContact O-N 3.17Å; N209-I211 VanDerWaalsContact O-N 3.17Å; I211-I213 PolarHBondContact O-N 3.38Å
212S35.6Very low39.4Very low101 Ų101137.7 Ų137.771%0.70678%0.782SS**  trans-26.3112.7166.5550000115.1
213I41.2Very low39.1Very low175 Ų175139.4 Ų139.490%0.89779%0.788SS**  trans-125.858.7157.6-47.9174.8000107.5I211I211-I213 PolarHBondContact O-N 3.38Å
214G31.1Very low38.6Very low55 Ų55134.6 Ų134.657%0.56778%0.779SS**  trans-120.2139153.500000105.2
215E34.2Very low38.3Very low186 Ų186134.1 Ų134.187%0.86978%0.776SS**  trans89.983.2-175.8-51.9178.4174.500115.1
216N33.6Very low38.6Very low149 Ų149132.1 Ų132.180%0.79777%0.773SS**  176124.6106.3-100.4-25.8000113.2
217V34.4Very low38.8Very low115 Ų115132.4 Ų132.470%0.69777%0.774SS**  73.6103.8129.5-1750000118.1
218M31.6Very low39.1Very low168 Ų168132.9 Ų132.983%0.82877%0.774SS**  25.3128.1122.5-50.1-78.7-97.600115.5
219S31.5Very low39.2Very low111 Ų111137.7 Ų137.778%0.77678%0.783SS**  cis172.6163.623.135.40000107.4
220A38.8Very low39.7Very low96 Ų96135.2 Ų135.279%0.79377%0.769SS**  trans99153.1166.100000118
221P34.6Very low40.6Very low129 Ų129130.5 Ų130.584%0.83875%0.751SS**SBend-126.6147.5-58.234.5-20.8000111.2
222G36.9Very low41.4Very low74 Ų74129 Ų12976%0.76375%0.748SS**  trans146.216.4170.500000117.7S224G222-S224 PolarHBondContact O-N 3.48Å; G222-S224 VanDerWaalsContact O-N 3.16Å
223T34.9Very low42Very low145 Ų145131.6 Ų131.689%0.8974%0.744SS**  trans-75.1101.5179.731.10000112.2
224S40Very low42.9Very low90 Ų90131.4 Ų131.463%0.62973%0.732SS**  trans-62.9144.2147.449.30000108.9G222 K226G222-S224 PolarHBondContact O-N 3.48Å; G222-S224 VanDerWaalsContact O-N 3.16Å; S224-K226 PolarHBondContact O-N 2.81Å
225P39Very low44.2Very low119 Ų119133.8 Ų133.877%0.77373%0.728SS**  trans-68.9106.6179.829.1-30.3000107.1L227P225-L227 PolarHBondContact O-N 3.37Å
226K51.6Low45.3Very low190 Ų190130.4 Ų130.483%0.82672%0.716SS**  trans-67.989.5164.2-81.5-179.5179.4172.80106.5S224 F228S224-K226 PolarHBondContact O-N 2.81Å; K226-F228 PolarHBondContact O-N 2.88Å
227L47.6Very low46.2Very low152 Ų152129.7 Ų129.780%0.79671%0.706SS**  trans-44.2115.9157.3-77165.3000106.2P225 K229P225-L227 PolarHBondContact O-N 3.37Å; L227-K229 PolarHBondContact O-N 3.11Å
228F52Low47.5Very low189 Ų189130.6 Ų130.683%0.82970%0.703SS**  trans-53.5107.1-177.6-87.5-95.2000108.5K226 N230K226-F228 PolarHBondContact O-N 2.88Å; F228-N230 PolarHBondContact O-N 3.06Å
229K51.1Low48.6Very low194 Ų194134.6 Ų134.684%0.84371%0.708SS**  trans-78.964.1169.4-67-175.3-179.7-176.80108.2L227L227-K229 PolarHBondContact O-N 3.11Å
230N53.9Low49.2Very low84 Ų84137.4 Ų137.445%0.44971%0.709SS.*  trans-85.5116.3161.5-79.65.7000106.5F228 E235F228-N230 PolarHBondContact O-N 3.06Å; N230-E235 PolarHBondContact ND2-OE1 2.82Å
231T58.3Low49.6Very low82 Ų82136.6 Ų136.650%0.50370%0.702SS.*  trans-85148.7167.555.50000107.7Y233 R234 E235T231-Y233 PolarHBondContact O-N 3.12Å; T231-Y233 VanDerWaalsContact O-N 3.15Å; T231-R234 WeakPolarHBondContact O-CB 3.45Å; T231-R234 PolarHBondContact O-N 3.49Å; T231-R234 PolarHBondContact OG1-N 3.22Å; T231-E235 PolarHBondContact O-N 2.85Å
232T57.3Low49.9Very low104 Ų104139.1 Ų139.164%0.63871%0.708SS**Hα-helixtrans-51.4-37.5172.847.60000111.2R234 E235 D236T232-R234 PolarHBondContact O-N 3.29Å; T232-R234 VanDerWaalsContact O-N 3.14Å; T232-E235 PolarHBondContact O-N 2.97Å; T232-D236 WeakPolarHBondContact O-CB 3.41Å; T232-D236 PolarHBondContact O-N 2.87Å
233Y47.8Very low50Low157 Ų157141.2 Ų141.262%0.61671%0.706SS**Hα-helixtrans-56.2-30.6172.7-158.8-88000114.5T231 F237T231-Y233 PolarHBondContact O-N 3.12Å; T231-Y233 VanDerWaalsContact O-N 3.15Å; Y233-F237 AromaticContact CD1-CD2 3.88Å; Y233-F237 HydrophobicContact CD1-CD2 3.88Å; Y233-F237 HydrophobicContact CD1-CE2 4.42Å; Y233-F237 AromaticContact CD2-CD2 3.76Å; Y233-F237 HydrophobicContact CD2-CD2 3.76Å; Y233-F237 AromaticContact CD2-CE2 3.5Å; Y233-F237 HydrophobicContact CD2-CE2 3.5Å; Y233-F237 VanDerWaalsContact CD2-CE2 3.5Å; Y233-F237 AromaticContact CE1-CD2 3.84Å; Y233-F237 HydrophobicContact CE1-CD2 3.84Å; Y233-F237 HydrophobicContact CE1-CE2 4.27Å; Y233-F237 HydrophobicContact CE1-CG 4.35Å; Y233-F237 AromaticContact CE2-CD2 3.74Å; Y233-F237 HydrophobicContact CE2-CD2 3.74Å; Y233-F237 AromaticContact CE2-CE2 3.31Å; Y233-F237 HydrophobicContact CE2-CE2 3.31Å; Y233-F237 HydrophobicContact CE2-CZ 4.02Å; Y233-F237 AromaticContact CG-CD2 3.83Å; Y233-F237 HydrophobicContact CG-CD2 3.83Å; Y233-F237 HydrophobicContact CG-CE2 4.06Å; Y233-F237 AromaticContact CZ-CD2 3.77Å; Y233-F237 AromaticContact CZ-CE2 3.73Å; Y233-F237 WeakPolarHBondContact O-CB 3.33Å; Y233-F237 VanDerWaalsContact O-CD2 3.24Å; Y233-F237 WeakPolarHBondContact O-CD2 3.22Å; Y233-F237 PolarHBondContact O-N 2.8Å
234R59.8Low50.1Low171 Ų171139.8 Ų139.865%0.64570%0.702SS**Hα-helixtrans-84-20.4179.8-145-179.3-173.1-168.30.6112.7T231 T232T231-R234 WeakPolarHBondContact O-CB 3.45Å; T231-R234 PolarHBondContact O-N 3.49Å; T231-R234 PolarHBondContact OG1-N 3.22Å; T232-R234 PolarHBondContact O-N 3.29Å; T232-R234 VanDerWaalsContact O-N 3.14Å
235E59.2Low50Low105 Ų105144.9 Ų144.949%0.49171%0.713SS.*Hα-helixtrans-87.3-42.6174.6-72.6173.6178.100110.8N230 T231 T232 F237N230-E235 PolarHBondContact ND2-OE1 2.82Å; T231-E235 PolarHBondContact O-N 2.85Å; T232-E235 PolarHBondContact O-N 2.97Å; E235-F237 VanDerWaalsContact C-N 3.34Å; E235-F237 PolarHBondContact O-N 2.71Å
236D57.2Low49.8Very low114 Ų114148 Ų14861%0.6172%0.717SS**Hα-helixtrans-70.5-27.8-179.1-63.8-26.9000113.1T232T232-D236 WeakPolarHBondContact O-CB 3.41Å; T232-D236 PolarHBondContact O-N 2.87Å
237F53.9Low49.1Very low134 Ų134142.8 Ų142.859%0.58870%0.702SS**THydrogen-bonded Turntrans-111.832.6-177.8-63.4-83.3000113.1Y233 E235 R239Y233-F237 AromaticContact CD1-CD2 3.88Å; Y233-F237 HydrophobicContact CD1-CD2 3.88Å; Y233-F237 HydrophobicContact CD1-CE2 4.42Å; Y233-F237 AromaticContact CD2-CD2 3.76Å; Y233-F237 HydrophobicContact CD2-CD2 3.76Å; Y233-F237 AromaticContact CD2-CE2 3.5Å; Y233-F237 HydrophobicContact CD2-CE2 3.5Å; Y233-F237 VanDerWaalsContact CD2-CE2 3.5Å; Y233-F237 AromaticContact CE1-CD2 3.84Å; Y233-F237 HydrophobicContact CE1-CD2 3.84Å; Y233-F237 HydrophobicContact CE1-CE2 4.27Å; Y233-F237 HydrophobicContact CE1-CG 4.35Å; Y233-F237 AromaticContact CE2-CD2 3.74Å; Y233-F237 HydrophobicContact CE2-CD2 3.74Å; Y233-F237 AromaticContact CE2-CE2 3.31Å; Y233-F237 HydrophobicContact CE2-CE2 3.31Å; Y233-F237 HydrophobicContact CE2-CZ 4.02Å; Y233-F237 AromaticContact CG-CD2 3.83Å; Y233-F237 HydrophobicContact CG-CD2 3.83Å; Y233-F237 HydrophobicContact CG-CE2 4.06Å; Y233-F237 AromaticContact CZ-CD2 3.77Å; Y233-F237 AromaticContact CZ-CE2 3.73Å; Y233-F237 WeakPolarHBondContact O-CB 3.33Å; Y233-F237 VanDerWaalsContact O-CD2 3.24Å; Y233-F237 WeakPolarHBondContact O-CD2 3.22Å; Y233-F237 PolarHBondContact O-N 2.8Å; E235-F237 VanDerWaalsContact C-N 3.34Å; E235-F237 PolarHBondContact O-N 2.71Å; F237-R239 PolarHBondContact O-N 3.23Å
238Q60.9Low48.7Very low135 Ų135141.5 Ų141.563%0.63170%0.701SS**  trans-58.9134.7169-78.9-175.2-1.100110.4H240Q238-H240 PolarHBondContact O-N 3.09Å
239R53.7Low47.7Very low251 Ų251139.6 Ų139.695%0.94770%0.696SS**  trans-61103.8179.1-73.5-179.1177.4173.2-1.2109.4F237 A241F237-R239 PolarHBondContact O-N 3.23Å; R239-A241 PolarHBondContact O-N 3.47Å
240H45.4Very low47.2Very low170 Ų170134.9 Ų134.979%0.78769%0.687SS**  trans-60.1125.5168.1-67.4-66000109Q238 L242Q238-H240 PolarHBondContact O-N 3.09Å; H240-L242 PolarHBondContact O-N 3.03Å
241A46.6Very low46Very low79 Ų79142.5 Ų142.565%0.65371%0.709SS**  trans-57.9125172.200000108.3R239 T243R239-A241 PolarHBondContact O-N 3.47Å; A241-T243 PolarHBondContact O-N 3.35Å; A241-T243 PolarHBondContact O-OG1 3.1Å
242L40.8Very low45Very low183 Ų183146.5 Ų146.596%0.95872%0.719SS**  trans-66.680.9178.9-77.4161.3000110H240H240-L242 PolarHBondContact O-N 3.03Å
243T39.4Very low43.9Very low117 Ų117149.2 Ų149.272%0.71873%0.728SS**  trans-97.7106.3169.343.40000109.3A241A241-T243 PolarHBondContact O-N 3.35Å; A241-T243 PolarHBondContact O-OG1 3.1Å
244S37Very low43.2Very low115 Ų115145.6 Ų145.680%0.80473%0.731SS**SBendtrans78137.3167.778.70000117.9E246S244-E246 PolarHBondContact O-N 3.17Å
245K37.8Very low41.9Very low198 Ų198142.6 Ų142.686%0.86173%0.734SS**  trans-68.9107.2-170.2-63.3163.8176.2174.70111.6
246E35.4Very low40.6Very low184 Ų184142.5 Ų142.586%0.8675%0.751SS**PPolyproline II helixtrans-87.2123.3161.1-80.6-172.2152.300110.1S244S244-E246 PolarHBondContact O-N 3.17Å
247P36.3Very low39.3Very low81 Ų81144 Ų14453%0.52676%0.757SS.*PPolyproline II helixtrans-78.3127.7174.330.9-32.4000111.1W178W178-P247 HydrophobicContact CH2-CB 3.41Å; W178-P247 VanDerWaalsContact CH2-CB 3.41Å; W178-P247 HydrophobicContact CH2-CG 3.52Å; W178-P247 HydrophobicContact CZ2-CB 3.86Å; W178-P247 HydrophobicContact CZ2-CG 3.54Å; W178-P247 HydrophobicContact CZ3-CB 4.13Å
248V38.2Very low38.3Very low125 Ų125146.9 Ų146.976%0.75877%0.77SS**PPolyproline II helixtrans-79125.3165-179.20000108.6C250V248-C250 PolarHBondContact O-N 3Å
249M31.9Very low36.7Very low148 Ų148148.9 Ų148.973%0.72978%0.784SS**  trans-70.9110.6173.9-77.5-81.6-71.400110.5Y172Y172-M249 WeakPolarHBondContact OH-CE 3.16Å; Y172-M249 PolarHBondContact OH-SD 2.92Å
250C39.8Very low35.7Very low96 Ų96141.5 Ų141.565%0.64977%0.771SS**  trans-114.4133.6177.2-580000111.1V248 K252V248-C250 PolarHBondContact O-N 3Å; C250-K252 PolarHBondContact O-N 2.88Å
251R29.8Very low35Very low243 Ų243143.1 Ų143.192%0.91778%0.776SS**  trans-61.8131.3171-88.1-179.8168.8175.2-4.2110.4I253R251-I253 PolarHBondContact O-N 3.44Å
252K37.5Very low34.3Very low166 Ų166145 Ų14572%0.72278%0.779SS**  trans-78.4113.7172.8-143.1176.9-172.31780109.4C250 A254C250-K252 PolarHBondContact O-N 2.88Å; K252-A254 PolarHBondContact O-N 3.48Å
253I34.4Very low33.8Very low161 Ų161143.2 Ų143.283%0.82677%0.771SS**PPolyproline II helixtrans-66121.3163.7-61.7171.4000106.3R251R251-I253 PolarHBondContact O-N 3.44Å
254A32.7Very low33.5Very low82 Ų82144.3 Ų144.368%0.67877%0.771SS**PPolyproline II helixtrans-60.1137.6177.400000109.9K252 A256K252-A254 PolarHBondContact O-N 3.48Å; A254-A256 PolarHBondContact O-N 3.13Å
255P32.9Very low33.3Very low108 Ų108143 Ų14370%0.70176%0.755SS**PPolyproline II helixtrans-63.7139.9171.527.8-30.6000108.5I257P255-I257 PolarHBondContact O-N 3.43Å
256A30.9Very low33.1Very low103 Ų103139.6 Ų139.685%0.85175%0.746SS**  trans-59.798.2171.300000108.8A254 K258A254-A256 PolarHBondContact O-N 3.13Å; A256-K258 PolarHBondContact O-N 3.26Å
257I30.2Very low33Very low144 Ų144140.3 Ų140.374%0.73874%0.742SS**  trans-67.7105.5174-59.9174.2000105.9P255 L259P255-I257 PolarHBondContact O-N 3.43Å; I257-L259 PolarHBondContact O-N 3.16Å; I257-L259 VanDerWaalsContact O-N 3.11Å
258K32.4Very low32.9Very low195 Ų195145 Ų14585%0.84875%0.751SS**  trans-50119.8161-78.3-179.6175.9178.50106.6A256 S260A256-K258 PolarHBondContact O-N 3.26Å; K258-S260 PolarHBondContact O-N 2.79Å
259L28.3Very low32.9Very low178 Ų178142.3 Ų142.393%0.93273%0.731SS**  trans-53.986.2174.1-76.4155.4000109.7I257I257-L259 PolarHBondContact O-N 3.16Å; I257-L259 VanDerWaalsContact O-N 3.11Å
260S32Very low33.2Very low96 Ų96143.8 Ų143.867%0.67173%0.729SS**  trans-76.8120.6159.548.50000106.2K258 T262K258-S260 PolarHBondContact O-N 2.79Å; S260-T262 PolarHBondContact O-N 3.5Å
261K30.9Very low33Very low204 Ų204147.5 Ų147.589%0.88773%0.73SS**  trans-45.5108.4175.3-71.5173.4175.4177.40109N263K261-N263 PolarHBondContact O-N 3.42Å
262T31.9Very low33.5Very low119 Ų119144.3 Ų144.373%0.7372%0.718SS**  trans-66.8115.3168.436.30000107.2S260 L264S260-T262 PolarHBondContact O-N 3.5Å; T262-L264 PolarHBondContact O-N 2.9Å
263N29.4Very low33.7Very low145 Ų145142.1 Ų142.178%0.77571%0.71SS**  trans-62.678.6164.3-95.5-17.5000108.4K261 N265K261-N263 PolarHBondContact O-N 3.42Å; N263-N265 PolarHBondContact O-N 3.18Å
264L33.1Very low34.1Very low140 Ų140138.9 Ų138.973%0.73370%0.698SS**THydrogen-bonded Turntrans-62.487150.8-88156.2000105.8T262T262-L264 PolarHBondContact O-N 2.9Å
265N33Very low34.7Very low86 Ų86141.6 Ų141.646%0.4670%0.696SS.*THydrogen-bonded Turntrans-163.8-19.4161.1-98.5-18.2000118.2N263 Y267 I269N263-N265 PolarHBondContact O-N 3.18Å; N265-Y267 PolarHBondContact O-N 3.29Å; N265-I269 HydrophobicContact CB-CD1 3.57Å; N265-I269 HydrophobicContact CB-CG1 4.14Å; N265-I269 VanDerWaalsContact O-CB 3.23Å; N265-I269 WeakPolarHBondContact O-CB 3.42Å; N265-I269 WeakPolarHBondContact O-CG1 3.35Å; N265-I269 PolarHBondContact O-N 3.24Å; N265-I269 VanDerWaalsContact O-N 3.13Å
266D33.4Very low35.2Very low127 Ų127145 Ų14568%0.67970%0.7SS**Hα-helixtrans-80.8-23.8-169.9-69.3-10.1000115.7
267Y33.6Very low35.5Very low199 Ų199148 Ų14878%0.7870%0.696SS**Hα-helixtrans-95.1-25.4176.3-111.6-93000113.8N265N265-Y267 PolarHBondContact O-N 3.29Å
268Y34.2Very low35.7Very low181 Ų181148.8 Ų148.871%0.7169%0.694SS**Hα-helixtrans-87.9-27.1-180-110.8-91000113
269I37.5Very low35.7Very low67 Ų67148 Ų14834%0.34470%0.7SS.*Hα-helixtrans-75.2-39.3173-66.5-179.7000110.5N265 W271 R272 E273N265-I269 HydrophobicContact CB-CD1 3.57Å; N265-I269 HydrophobicContact CB-CG1 4.14Å; N265-I269 VanDerWaalsContact O-CB 3.23Å; N265-I269 WeakPolarHBondContact O-CB 3.42Å; N265-I269 WeakPolarHBondContact O-CG1 3.35Å; N265-I269 PolarHBondContact O-N 3.24Å; N265-I269 VanDerWaalsContact O-N 3.13Å; I269-W271 VanDerWaalsContact C-N 3.32Å; I269-W271 PolarHBondContact O-N 3.15Å; I269-R272 PolarHBondContact O-N 3.3Å; I269-E273 HydrophobicContact CG2-CG 4.19Å; I269-E273 WeakPolarHBondContact O-CG 3.48Å; I269-E273 PolarHBondContact O-N 2.79Å
270R38.8Very low35.9Very low180 Ų180143.9 Ų143.968%0.67968%0.681SS**Hα-helixtrans-60.9-38.2178.6-129175.8-160.6-179.55.9113.2E273 T274R270-E273 PolarHBondContact O-N 3.11Å; R270-T274 WeakPolarHBondContact O-CG2 3.47Å; R270-T274 PolarHBondContact O-N 3.05Å; R270-T274 PolarHBondContact O-OG1 2.94Å
271W36.6Very low35.6Very low174 Ų174145.9 Ų145.966%0.65969%0.69SS**Hα-helixtrans-68.6-37.4177-118.583.9000112.8I269 T274 E275I269-W271 VanDerWaalsContact C-N 3.32Å; I269-W271 PolarHBondContact O-N 3.15Å; W271-T274 WeakPolarHBondContact CA-OG1 3.43Å; W271-T274 PolarHBondContact O-OG1 3.31Å; W271-E275 PolarHBondContact O-N 3.46Å
272R40.6Very low35.4Very low176 Ų176141.2 Ų141.266%0.66468%0.682SS**Hα-helixtrans-75.7-26.3174.9-79.1-158.8-158.9-168.57.3114I269 K276I269-R272 PolarHBondContact O-N 3.3Å; R272-K276 WeakPolarHBondContact O-CG 3.37Å
273E40.4Very low35.1Very low120 Ų120143.2 Ų143.256%0.56169%0.688SS**Hα-helixtrans-79.2-33.3175.4-75177166.400111.7I269 R270 K276I269-E273 HydrophobicContact CG2-CG 4.19Å; I269-E273 WeakPolarHBondContact O-CG 3.48Å; I269-E273 PolarHBondContact O-N 2.79Å; R270-E273 PolarHBondContact O-N 3.11Å; E273-K276 PolarHBondContact O-N 2.95Å
274T43.8Very low35.2Very low93 Ų93142.8 Ų142.857%0.57169%0.685SS**Hα-helixtrans-70.8-31.1174.946.70000113.7R270 W271R270-T274 WeakPolarHBondContact O-CG2 3.47Å; R270-T274 PolarHBondContact O-N 3.05Å; R270-T274 PolarHBondContact O-OG1 2.94Å; W271-T274 WeakPolarHBondContact CA-OG1 3.43Å; W271-T274 PolarHBondContact O-OG1 3.31Å
275E43.7Very low34.8Very low138 Ų138143.1 Ų143.165%0.64569%0.688SS**Hα-helixtrans-78-18.1176.5-79.6-173.5149.900113.9W271W271-E275 PolarHBondContact O-N 3.46Å
276K43.4Very low34.7Very low181 Ų181148.1 Ų148.179%0.78771%0.706SS**Hα-helixtrans-90.3-11.7-179.2-78.2-175.6176.1-173.90114.9R272 E273R272-K276 WeakPolarHBondContact O-CG 3.37Å; E273-K276 PolarHBondContact O-N 2.95Å
277Q38.8Very low34.4Very low165 Ų165146.5 Ų146.577%0.77170%0.704SS**Hα-helixtrans-111.4-9.4-171.4-76-168.7-8.500115.7
278K34Very low34.2Very low160 Ų160143.5 Ų143.570%0.69670%0.702SS**  trans-139.389.2-176.2-72-172.4-179.9177.80112.4V280K278-V280 HydrophobicContact CB-CB 4.15Å; K278-V280 HydrophobicContact CB-CG2 3.9Å; K278-V280 HydrophobicContact CD-CG2 4.41Å; K278-V280 HydrophobicContact CG-CG2 4.18Å; K278-V280 PolarHBondContact O-N 3.48Å
279N31.7Very low33.8Very low180 Ų180143.6 Ų143.696%0.96371%0.706SS**  trans-52.171.4138.3-77.1-22.7000109.3
280V32.2Very low33.7Very low90 Ų90145.7 Ų145.755%0.54572%0.724SS.*  trans-142.6103174.4-176.40000107.3K278 C282K278-V280 HydrophobicContact CB-CB 4.15Å; K278-V280 HydrophobicContact CB-CG2 3.9Å; K278-V280 HydrophobicContact CD-CG2 4.41Å; K278-V280 HydrophobicContact CG-CG2 4.18Å; K278-V280 PolarHBondContact O-N 3.48Å; V280-C282 PolarHBondContact O-N 3.33Å; V280-C282 VanDerWaalsContact O-N 3.11Å
281T26.2Very low33.3Very low139 Ų139143.4 Ų143.485%0.85372%0.724SS**  trans-33.1105.4162.9340000112.9
282C27.5Very low32.9Very low105 Ų105141 Ų14171%0.70972%0.724SS**  trans-130.5100.5159.1-76.70000107.8V280 L284V280-C282 PolarHBondContact O-N 3.33Å; V280-C282 VanDerWaalsContact O-N 3.11Å; C282-L284 PolarHBondContact O-N 3.19Å
283N26.1Very low32.3Very low162 Ų162139 Ų13987%0.86673%0.725SS**  trans-60.5101.9163.3-78.4-25000108.5
284L30Very low31.7Very low135 Ų135140.8 Ų140.871%0.70773%0.731SS**  trans-124.3101163-98.6153.9000107.2C282 F286C282-L284 PolarHBondContact O-N 3.19Å; L284-F286 VanDerWaalsContact C-N 3.34Å; L284-F286 PolarHBondContact O-N 3.34Å
285N26Very low30.9Very low148 Ų148147 Ų14779%0.79175%0.745SS**  trans-60.492173-68.7-21.6000109.6
286F29.6Very low30.1Very low191 Ų191146 Ų14684%0.83875%0.749SS**  trans-98.466.5158.1-85.2-83.1000108.5L284L284-F286 VanDerWaalsContact C-N 3.34Å; L284-F286 PolarHBondContact O-N 3.34Å
287S27.9Very low29.5Very low93 Ų93141 Ų14165%0.6574%0.737SS**  trans-91.296.2166.553.90000108
288N28.6Very low29.2Very low136 Ų136141.1 Ų141.173%0.72774%0.741SS**SBendtrans159.394.1149.7-81.5-16.8000108.6
289F27.2Very low29.3Very low183 Ų183142.4 Ų142.480%0.80375%0.747SS**  trans144.392.9154.2-86.1-70.7000108.9I291F289-I291 VanDerWaalsContact C-N 3.26Å; F289-I291 PolarHBondContact O-N 2.99Å
290P34.1Very low29.6Very low111 Ų111139.9 Ų139.972%0.72173%0.729SS**  trans-68.398.4154.529.2-26.2000106.1N292P290-N292 PolarHBondContact O-N 3.05Å
291I31.6Very low29.6Very low132 Ų132146.4 Ų146.468%0.67774%0.743SS**  trans-60.391.9160.8-67.6172.4000105.5F289 I293F289-I291 VanDerWaalsContact C-N 3.26Å; F289-I291 PolarHBondContact O-N 2.99Å; I291-I293 HydrophobicContact CG2-CB 4.38Å; I291-I293 HydrophobicContact CG2-CD1 3.34Å; I291-I293 HydrophobicContact CG2-CG1 3.43Å; I291-I293 VanDerWaalsContact CG2-CG1 3.43Å; I291-I293 PolarHBondContact O-N 2.95Å
292N27.7Very low30.1Very low123 Ų123147.3 Ų147.366%0.65874%0.738SS**  trans-74.970.5171.8-125.6-28.2000107P290 K294P290-N292 PolarHBondContact O-N 3.05Å; N292-K294 PolarHBondContact O-N 3.08Å
293I27.7Very low30.6Very low133 Ų133145.7 Ų145.768%0.68272%0.722SS**  trans-71.472.3156.3-66.5155.9000105.5I291 Y295I291-I293 HydrophobicContact CG2-CB 4.38Å; I291-I293 HydrophobicContact CG2-CD1 3.34Å; I291-I293 HydrophobicContact CG2-CG1 3.43Å; I291-I293 VanDerWaalsContact CG2-CG1 3.43Å; I291-I293 PolarHBondContact O-N 2.95Å; I293-Y295 PolarHBondContact O-N 3.13Å
294K28.7Very low31.2Very low158 Ų158142.6 Ų142.669%0.68771%0.713SS**  trans-81.296.7158.5-93.9-177.6177.9176.50106.2N292 T296N292-K294 PolarHBondContact O-N 3.08Å; K294-T296 VanDerWaalsContact C-N 3.34Å; K294-T296 PolarHBondContact O-N 3.25Å
295Y26.1Very low31.6Very low224 Ų224143.1 Ų143.188%0.87872%0.716SS**  trans-1.382.5146.5-74.7-97.7000113.8I293I293-Y295 PolarHBondContact O-N 3.13Å
296T27.8Very low32.4Very low117 Ų117144.5 Ų144.572%0.71871%0.71SS**  trans-111.1131.9157.351.30000107.2K294K294-T296 VanDerWaalsContact C-N 3.34Å; K294-T296 PolarHBondContact O-N 3.25Å
297S30.8Very low33Very low76 Ų76142.5 Ų142.553%0.53171%0.708SS.*  trans-53.3155.1-159.173.90000114.5K299S297-K299 PolarHBondContact O-N 3.46Å
298I30.9Very low33.5Very low168 Ų168140.7 Ų140.786%0.86269%0.694SS**THydrogen-bonded Turntrans-53.110.8179.4-68.6155.7000115
299K36.7Very low34.2Very low187 Ų187137.6 Ų137.681%0.81369%0.687SS**THydrogen-bonded Turntrans-96.5-7.8-177.4-66.7-172.7176.4-176.80115.9S297 R301S297-K299 PolarHBondContact O-N 3.46Å; K299-R301 PolarHBondContact O-N 3Å
300H38.2Very low34.7Very low127 Ų127133.7 Ų133.759%0.58869%0.689SS**  trans-90.210.6-175.5-73.3-73.7000116.1H302H300-H302 VanDerWaalsContact C-N 3.26Å; H300-H302 PolarHBondContact O-N 2.77Å
301R33.1Very low34.7Very low226 Ų226131.3 Ų131.385%0.85368%0.684SS**THydrogen-bonded Turntrans-75.94.7-175.4-93.6-176.5179.1171.60.2116.5K299K299-R301 PolarHBondContact O-N 3Å
302H36.6Very low35.1Very low158 Ų158129.2 Ų129.273%0.73167%0.673SS**THydrogen-bonded Turntrans-12116.2-175.3-83.4-71.1000115.7H300H300-H302 VanDerWaalsContact C-N 3.26Å; H300-H302 PolarHBondContact O-N 2.77Å
303L38.2Very low35.6Very low72 Ų72128.7 Ų128.738%0.37768%0.675SS.*  trans-101.50.5-171.6-69.1170.7000115.7D305 R306L303-D305 PolarHBondContact O-N 2.94Å; L303-R306 HydrophobicContact CD2-CG 4.46Å; L303-R306 PolarHBondContact O-N 3.19Å
304S37.6Very low36.5Very low97 Ų97124.2 Ų124.268%0.67865%0.654SS**THydrogen-bonded Turntrans-64.9-19.6173.5480000113.5
305D39.2Very low37.2Very low145 Ų145122 Ų12278%0.77566%0.657SS**THydrogen-bonded Turntrans-90.65.1-179.2-63.2-16.3000113.4L303L303-D305 PolarHBondContact O-N 2.94Å
306R41.5Very low38.1Very low178 Ų178113.1 Ų113.167%0.67264%0.635SS**  trans-119.726.2-173.4-62.8-163.5-177-172.40.7114.6L303L303-R306 HydrophobicContact CD2-CG 4.46Å; L303-R306 PolarHBondContact O-N 3.19Å
307L43.5Very low38.9Very low149 Ų149108.8 Ų108.878%0.7861%0.613SS**PPolyproline II helixtrans-67.9130.1167-69172.6000109A309L307-A309 PolarHBondContact O-N 3.11Å
308P38Very low39.6Very low55 Ų55109 Ų10936%0.35761%0.613SS.*PPolyproline II helixtrans-57139.7173.921.2-29.5000109.5A310 I312P308-A310 PolarHBondContact O-N 2.83Å; P308-I312 HydrophobicContact CB-CB 4.24Å; P308-I312 HydrophobicContact CB-CD1 3.59Å; P308-I312 HydrophobicContact CB-CG1 4.41Å
309A42.3Very low40.5Very low71 Ų71103.6 Ų103.659%0.58759%0.585SS**PPolyproline II helixtrans-53.9141.8172.100000109.8L307 G311 I312L307-A309 PolarHBondContact O-N 3.11Å; A309-G311 PolarHBondContact O-N 3.1Å; A309-G311 VanDerWaalsContact O-N 3.16Å; A309-I312 PolarHBondContact O-N 3Å
310A38Very low41Very low101 Ų101103.3 Ų103.384%0.83558%0.584SS**THydrogen-bonded Turntrans-52.8124.1174.700000109.6P308P308-A310 PolarHBondContact O-N 2.83Å
311G34.2Very low41.3Very low60 Ų60101.4 Ų101.462%0.61958%0.578SS**THydrogen-bonded Turntrans116.2-7.2-179.500000116.1A309A309-G311 PolarHBondContact O-N 3.1Å; A309-G311 VanDerWaalsContact O-N 3.16Å
312I40Very low41.8Very low89 Ų8999.7 Ų99.746%0.45658%0.579SS.*  trans-73.4129.1174.5-66.1169.1000110P308 A309 T314P308-I312 HydrophobicContact CB-CB 4.24Å; P308-I312 HydrophobicContact CB-CD1 3.59Å; P308-I312 HydrophobicContact CB-CG1 4.41Å; A309-I312 PolarHBondContact O-N 3Å; I312-T314 PolarHBondContact O-N 3.3Å
313T38.4Very low41.9Very low112 Ų11298.4 Ų98.469%0.68758%0.578SS**EExtended strand (participates in β ladder)trans-68.9114.1175.946.90000110.1
314T47.7Very low41.9Very low39 Ų3998.4 Ų98.424%0.23958%0.576CS.*EExtended strand (participates in β ladder)trans-88.8168.7168.263.10000109.8I312 G316 G317 I319I312-T314 PolarHBondContact O-N 3.3Å; T314-G316 PolarHBondContact O-N 3.5Å; T314-G317 PolarHBondContact N-O 3.36Å; T314-G317 PolarHBondContact O-N 3.49Å; T314-G317 PolarHBondContact OG1-O 3.01Å; T314-I319 HydrophobicContact CG2-CD1 4.49Å
315S42Very low42Very low110 Ų110100.5 Ų100.577%0.76959%0.585SS**THydrogen-bonded Turntrans-54.6-22.217450.20000113.2
316G45.2Very low41.9Very low39 Ų3999 Ų9940%0.40257%0.569SS.*THydrogen-bonded Turntrans-88.49.4173.200000116T314T314-G316 PolarHBondContact O-N 3.5Å
317G45.4Very low41.6Very low25 Ų2595.5 Ų95.526%0.25857%0.572SS.*EExtended strand (participates in β ladder)trans88.7-170.3-175.200000113.7T314T314-G317 PolarHBondContact N-O 3.36Å; T314-G317 PolarHBondContact O-N 3.49Å; T314-G317 PolarHBondContact OG1-O 3.01Å
318P46Very low41.2Very low81 Ų8194.5 Ų94.553%0.52656%0.561SS.*EExtended strand (participates in β ladder)trans-68.6136.8-179.327.1-32.7000111.1K320P318-K320 PolarHBondContact O-N 3.43Å
319I48.6Very low41.2Very low55 Ų5597 Ų9728%0.28257%0.572SS.*  trans-62.4115175.1-61.3171.5000108.5T314 N321 Q324T314-I319 HydrophobicContact CG2-CD1 4.49Å; I319-N321 VanDerWaalsContact CG2-O 3.22Å; I319-N321 WeakPolarHBondContact CG2-O 3.17Å; I319-Q324 HydrophobicContact CG2-CB 4.43Å
320K47.6Very low41Very low181 Ų18199.3 Ų99.379%0.78757%0.566SS**  trans-90.3-13-178.9-65.4-176.2-180177.90113.1P318P318-K320 PolarHBondContact O-N 3.43Å
321N45.4Very low41.2Very low87 Ų87101.6 Ų101.647%0.46556%0.56SS.*SBendtrans-157.5144.3-177.6-171.7-11000110.6I319 N323 Q324I319-N321 VanDerWaalsContact CG2-O 3.22Å; I319-N321 WeakPolarHBondContact CG2-O 3.17Å; N321-N323 PolarHBondContact O-N 3.39Å; N321-N323 VanDerWaalsContact O-N 3.1Å; N321-N323 PolarHBondContact OD1-N 2.91Å; N321-Q324 HydrophobicContact CB-CG 4.27Å; N321-Q324 WeakPolarHBondContact O-CB 3.23Å; N321-Q324 PolarHBondContact O-N 2.7Å
322Q41.8Very low41.3Very low189 Ų189105.3 Ų105.388%0.88357%0.566SS**THydrogen-bonded Turntrans-57.6-20.9175.9-72.7179.7-1100113.6
323N39.3Very low41.5Very low132 Ų132103.2 Ų103.271%0.70656%0.555SS**THydrogen-bonded Turntrans-87.5-0.5178.1-64.7-9.3000114.1N321 T325N321-N323 PolarHBondContact O-N 3.39Å; N321-N323 VanDerWaalsContact O-N 3.1Å; N321-N323 PolarHBondContact OD1-N 2.91Å; N323-T325 PolarHBondContact O-N 3.14Å
324Q39.1Very low41.4Very low72 Ų72102.3 Ų102.334%0.33655%0.551SS.*  trans-81.8105.6176.1-71.9179.9-18.600110.2I319 N321I319-Q324 HydrophobicContact CG2-CB 4.43Å; N321-Q324 HydrophobicContact CB-CG 4.27Å; N321-Q324 WeakPolarHBondContact O-CB 3.23Å; N321-Q324 PolarHBondContact O-N 2.7Å
325T38.6Very low41.3Very low141 Ų141106.2 Ų106.287%0.86557%0.57SS**  trans-95.4107.8168.427.60000108.4N323N323-T325 PolarHBondContact O-N 3.14Å
326Y36.7Very low41.5Very low114 Ų114102.4 Ų102.445%0.44754%0.541SS..  trans-92145.3163.3-74.8-73.6000109.5F328Y326-F328 PolarHBondContact O-N 3.46Å
327S36Very low41.4Very low104 Ų104105.6 Ų105.673%0.72755%0.548SS*.  trans-52.8110.2163-39.30000107.8D329S327-D329 PolarHBondContact O-N 3.09Å; S327-D329 VanDerWaalsContact O-N 3.15Å
328F35Very low41.5Very low127 Ų127111.6 Ų111.656%0.55757%0.567SS**  trans-73.9105.1173.3-171.8-90.4000107.4Y326 Y330Y326-F328 PolarHBondContact O-N 3.46Å; F328-Y330 AromaticContact CD1-CD2 3.74Å; F328-Y330 HydrophobicContact CD1-CD2 3.74Å; F328-Y330 HydrophobicContact CD1-CE2 4.34Å; F328-Y330 AromaticContact CE1-CD2 3.98Å; F328-Y330 HydrophobicContact CE1-CD2 3.98Å; F328-Y330 HydrophobicContact CE1-CE2 4.4Å; F328-Y330 PolarHBondContact O-N 2.95Å
329D37.8Very low41.5Very low107 Ų107113.4 Ų113.457%0.57257%0.568SS**  trans-69.7103.7169.4-79.3-27.3000108.4S327 E331S327-D329 PolarHBondContact O-N 3.09Å; S327-D329 VanDerWaalsContact O-N 3.15Å; D329-E331 PolarHBondContact O-N 3.08Å
330Y39.1Very low41.4Very low121 Ų121116 Ų11648%0.47558%0.578SS.*G310 helixtrans-62.7-1.5-179.3-131.9-107.9000113.8F328 L336F328-Y330 AromaticContact CD1-CD2 3.74Å; F328-Y330 HydrophobicContact CD1-CD2 3.74Å; F328-Y330 HydrophobicContact CD1-CE2 4.34Å; F328-Y330 AromaticContact CE1-CD2 3.98Å; F328-Y330 HydrophobicContact CE1-CD2 3.98Å; F328-Y330 HydrophobicContact CE1-CE2 4.4Å; F328-Y330 PolarHBondContact O-N 2.95Å; Y330-L336 HydrophobicContact CD1-CD1 3.38Å; Y330-L336 HydrophobicContact CD1-CD2 3.94Å; Y330-L336 HydrophobicContact CD1-CG 4.23Å; Y330-L336 HydrophobicContact CE1-CD1 3.05Å; Y330-L336 HydrophobicContact CE1-CD2 3.63Å; Y330-L336 HydrophobicContact CE1-CG 3.92Å; Y330-L336 HydrophobicContact CG-CD1 4.31Å
331E40.3Very low41.2Very low148 Ų148110.1 Ų110.169%0.69256%0.559SS**G310 helixtrans-78.3-18.3-169.7-66.7-159.7144.700114.4D329D329-E331 PolarHBondContact O-N 3.08Å
332N37.6Very low41.1Very low139 Ų139110.8 Ų110.874%0.74356%0.563SS**G310 helixtrans-113.713.1-174.1-72.5-38.8000115P334N332-P334 VanDerWaalsContact O-CD 3.24Å; N332-P334 WeakPolarHBondContact O-CD 3.45Å
333D43.2Very low41.3Very low44 Ų44106.7 Ų106.724%0.23555%0.546CS..  trans-75.4114.4177.3-166.7-7.7000110L335 L336 L337D333-L335 PolarHBondContact O-N 3.26Å; D333-L336 HydrophobicContact CB-CB 4.23Å; D333-L336 HydrophobicContact CB-CD1 3.74Å; D333-L336 PolarHBondContact O-N 2.97Å; D333-L337 PolarHBondContact O-N 3.32Å; D333-L337 VanDerWaalsContact O-N 3.08Å
334P37.8Very low41.5Very low94 Ų94107.1 Ų107.161%0.6154%0.544SS*.Hα-helixtrans-62-18.9-175.422.2-32.1000113.5N332N332-P334 VanDerWaalsContact O-CD 3.24Å; N332-P334 WeakPolarHBondContact O-CD 3.45Å
335L45.2Very low41.7Very low121 Ų121111.2 Ų111.263%0.63456%0.563SS**Hα-helixtrans-78.6-31.1172.7-71.5170.5000112.7D333 K338 E339D333-L335 PolarHBondContact O-N 3.26Å; L335-K338 WeakPolarHBondContact O-CB 3.41Å; L335-K338 PolarHBondContact O-N 3.41Å; L335-E339 PolarHBondContact O-N 3.3Å; L335-E339 VanDerWaalsContact O-N 3.17Å
336L45.2Very low41.9Very low30 Ų30111 Ų11116%0.15756%0.557CS.*Hα-helixtrans-79.3-24.4173.5-86.8133000113.4Y330 D333 K338 E339 K340Y330-L336 HydrophobicContact CD1-CD1 3.38Å; Y330-L336 HydrophobicContact CD1-CD2 3.94Å; Y330-L336 HydrophobicContact CD1-CG 4.23Å; Y330-L336 HydrophobicContact CE1-CD1 3.05Å; Y330-L336 HydrophobicContact CE1-CD2 3.63Å; Y330-L336 HydrophobicContact CE1-CG 3.92Å; Y330-L336 HydrophobicContact CG-CD1 4.31Å; D333-L336 HydrophobicContact CB-CB 4.23Å; D333-L336 HydrophobicContact CB-CD1 3.74Å; D333-L336 PolarHBondContact O-N 2.97Å; L336-K338 PolarHBondContact O-N 3.49Å; L336-E339 PolarHBondContact O-N 3.31Å; L336-K340 VanDerWaalsContact O-CB 3.27Å; L336-K340 WeakPolarHBondContact O-CB 3.35Å; L336-K340 WeakPolarHBondContact O-CG 3.39Å; L336-K340 PolarHBondContact O-N 3Å
337L43.5Very low42.1Very low106 Ų106108.7 Ų108.756%0.55556%0.557SS**Hα-helixtrans-61.4-34.5166.3-89148.2000111.3D333 S341D333-L337 PolarHBondContact O-N 3.32Å; D333-L337 VanDerWaalsContact O-N 3.08Å; L337-S341 WeakPolarHBondContact O-CB 3.45Å; L337-S341 PolarHBondContact O-N 3.49Å; L337-S341 VanDerWaalsContact O-N 3.1Å; L337-S341 PolarHBondContact O-OG 3.37Å
338K47.1Very low42.2Very low150 Ų150110.9 Ų110.965%0.65256%0.559SS**Hα-helixtrans-75.3-32.4173.5-101.8-177.5175.2-179.70114.1L335 L336 S341 N342L335-K338 WeakPolarHBondContact O-CB 3.41Å; L335-K338 PolarHBondContact O-N 3.41Å; L336-K338 PolarHBondContact O-N 3.49Å; K338-S341 WeakPolarHBondContact CA-OG 3.4Å; K338-S341 PolarHBondContact O-OG 2.93Å; K338-N342 PolarHBondContact O-N 3.44Å
339E46.4Very low42.4Very low119 Ų119114.3 Ų114.356%0.55657%0.574SS**Hα-helixtrans-77.3-39173.4-96.1-177.7159.900112.1L335 L336 S341 N342 I343L335-E339 PolarHBondContact O-N 3.3Å; L335-E339 VanDerWaalsContact O-N 3.17Å; L336-E339 PolarHBondContact O-N 3.31Å; E339-S341 VanDerWaalsContact C-N 3.35Å; E339-S341 PolarHBondContact O-N 3.15Å; E339-N342 PolarHBondContact O-N 2.72Å; E339-I343 HydrophobicContact CB-CD1 4.42Å; E339-I343 WeakPolarHBondContact O-CB 3.14Å; E339-I343 WeakPolarHBondContact O-CD1 3.24Å; E339-I343 WeakPolarHBondContact O-CG1 2.84Å; E339-I343 PolarHBondContact O-N 3.49Å
340K45.6Very low42.2Very low109 Ų109116.6 Ų116.647%0.47458%0.581SS.*Hα-helixtrans-65-36.4175.1-78.7-178175.4178.20112.1L336 N342 I343 Q344L336-K340 VanDerWaalsContact O-CB 3.27Å; L336-K340 WeakPolarHBondContact O-CB 3.35Å; L336-K340 WeakPolarHBondContact O-CG 3.39Å; L336-K340 PolarHBondContact O-N 3Å; K340-N342 VanDerWaalsContact C-N 3.33Å; K340-I343 PolarHBondContact O-N 2.8Å; K340-Q344 WeakPolarHBondContact O-CB 3.41Å; K340-Q344 PolarHBondContact O-N 3.14Å
341S45.3Very low41.8Very low58 Ų58119.5 Ų119.541%0.40660%0.597SS.*Hα-helixtrans-64.8-37.5173.361.90000112.2L337 K338 E339L337-S341 WeakPolarHBondContact O-CB 3.45Å; L337-S341 PolarHBondContact O-N 3.49Å; L337-S341 VanDerWaalsContact O-N 3.1Å; L337-S341 PolarHBondContact O-OG 3.37Å; K338-S341 WeakPolarHBondContact CA-OG 3.4Å; K338-S341 PolarHBondContact O-OG 2.93Å; E339-S341 VanDerWaalsContact C-N 3.35Å; E339-S341 PolarHBondContact O-N 3.15Å
342N43.1Very low41.4Very low102 Ų102121.9 Ų121.955%0.54561%0.607SS.*Hα-helixtrans-78.2-20.4177.2-75.7-8.4000114.2K338 E339 K340 N346K338-N342 PolarHBondContact O-N 3.44Å; E339-N342 PolarHBondContact O-N 2.72Å; K340-N342 VanDerWaalsContact C-N 3.33Å; N342-N346 PolarHBondContact O-ND2 3.36Å
343I45.7Very low41.2Very low103 Ų103119.3 Ų119.353%0.52860%0.6SS.*Hα-helixtrans-89.6-31.5177.1-66.1163.6000111.3E339 K340 N346 S347E339-I343 HydrophobicContact CB-CD1 4.42Å; E339-I343 WeakPolarHBondContact O-CB 3.14Å; E339-I343 WeakPolarHBondContact O-CD1 3.24Å; E339-I343 WeakPolarHBondContact O-CG1 2.84Å; E339-I343 PolarHBondContact O-N 3.49Å; K340-I343 PolarHBondContact O-N 2.8Å; I343-N346 PolarHBondContact O-N 3.05Å; I343-S347 VanDerWaalsContact O-CB 3.31Å; I343-S347 WeakPolarHBondContact O-CB 3.25Å; I343-S347 PolarHBondContact O-N 3.47Å; I343-S347 VanDerWaalsContact O-N 3.07Å; I343-S347 PolarHBondContact O-OG 3.38Å
344Q42.9Very low40.5Very low140 Ų140125.4 Ų125.465%0.65463%0.633SS**Hα-helixtrans-69.9-32.4175.2-89.6-176.8-18.500113.1K340 N346 I348K340-Q344 WeakPolarHBondContact O-CB 3.41Å; K340-Q344 PolarHBondContact O-N 3.14Å; Q344-N346 VanDerWaalsContact C-N 3.28Å; Q344-N346 PolarHBondContact O-N 2.83Å; Q344-I348 WeakPolarHBondContact O-CD1 3.41Å; Q344-I348 WeakPolarHBondContact O-CG1 3.37Å
345E43.5Very low40.2Very low158 Ų158127.8 Ų127.874%0.73864%0.639SS**Hα-helixtrans-70.9-21.9173.9-76.7-173.5157.600113.5
346N42.6Very low39.6Very low137 Ų137128.1 Ų128.173%0.73364%0.641SS**Hα-helixtrans-103.1-12.1-177.4-70.9-46000114.7N342 I343 Q344N342-N346 PolarHBondContact O-ND2 3.36Å; I343-N346 PolarHBondContact O-N 3.05Å; Q344-N346 VanDerWaalsContact C-N 3.28Å; Q344-N346 PolarHBondContact O-N 2.83Å
347S41.5Very low39Very low66 Ų66134.5 Ų134.546%0.46268%0.675SS.*Hα-helixtrans-97.9-5.2-175.952.20000115.2I343 K349I343-S347 VanDerWaalsContact O-CB 3.31Å; I343-S347 WeakPolarHBondContact O-CB 3.25Å; I343-S347 PolarHBondContact O-N 3.47Å; I343-S347 VanDerWaalsContact O-N 3.07Å; I343-S347 PolarHBondContact O-OG 3.38Å; S347-K349 PolarHBondContact O-N 2.96Å
348I38.5Very low38.6Very low150 Ų150133.6 Ų133.677%0.76968%0.677SS**THydrogen-bonded Turntrans-72.1-7.7179.2-64.9167.7000112.4Q344Q344-I348 WeakPolarHBondContact O-CD1 3.41Å; Q344-I348 WeakPolarHBondContact O-CG1 3.37Å
349K39.5Very low38.1Very low198 Ų198134.5 Ų134.586%0.86168%0.684SS**THydrogen-bonded Turntrans-97.1-13.7-174.3-82.7-177.4175.7177.20116.9S347S347-K349 PolarHBondContact O-N 2.96Å
350E33Very low37.4Very low156 Ų156140.5 Ų140.573%0.72970%0.702SS**SBendtrans-145.6135.5-173.9-68.7-178.3160.400112.6
351F31.3Very low36.6Very low182 Ų182143.3 Ų143.380%0.79872%0.718SS**  trans87.573.6172.5-61.9-80.6000118.3S353F351-S353 PolarHBondContact O-N 3.16Å
352H30Very low35.8Very low198 Ų198151.8 Ų151.892%0.91774%0.743SS**  trans-55.1106.3134.4-68.4-75.3000110.1
353S34.7Very low35.1Very low84 Ų84154.5 Ų154.559%0.58776%0.757SS**  trans-143.7107.4152.360.40000109.6F351 I355F351-S353 PolarHBondContact O-N 3.16Å; S353-I355 PolarHBondContact O-N 2.98Å
354N28.7Very low34.4Very low173 Ų173154.5 Ų154.593%0.92576%0.764SS**  trans-65.8105.5171.4-74.7-30.4000108.7
355I30.8Very low33.7Very low144 Ų144154.9 Ų154.974%0.73877%0.77SS**  trans-121.5107.7166.2-59.6178.7000108.3S353 L357S353-I355 PolarHBondContact O-N 2.98Å; I355-L357 PolarHBondContact O-N 3.32Å
356N32Very low33Very low127 Ų127154.1 Ų154.168%0.67977%0.769SS**  trans-68.9115.1179-138.1-19.9000109S358N356-S358 PolarHBondContact O-N 2.91Å; N356-S358 VanDerWaalsContact O-N 3.16Å
357L32.4Very low32.4Very low164 Ų164154.2 Ų154.286%0.85977%0.769SS**G310 helixtrans-71-2.6-176.5-88.4151.8000114.4I355 Q359I355-L357 PolarHBondContact O-N 3.32Å; L357-Q359 VanDerWaalsContact C-N 3.32Å; L357-Q359 PolarHBondContact O-N 2.91Å
358S36.7Very low31.8Very low88 Ų88158.5 Ų158.562%0.61578%0.781SS**G310 helixtrans-78.1-3.7-176.749.80000115.5N356N356-S358 PolarHBondContact O-N 2.91Å; N356-S358 VanDerWaalsContact O-N 3.16Å
359Q36.7Very low31.3Very low169 Ų169159.9 Ų159.979%0.7978%0.784SS**G310 helixtrans-1038.1-174.2-73.1-177.5-19.700115.8L357 M361L357-Q359 VanDerWaalsContact C-N 3.32Å; L357-Q359 PolarHBondContact O-N 2.91Å; Q359-M361 VanDerWaalsContact C-N 3.28Å; Q359-M361 PolarHBondContact O-N 3.42Å
360R31.1Very low30.9Very low245 Ų245155.6 Ų155.693%0.92578%0.775SS**  trans-9157.1169.9-83.5-171173.7176.91.8112
361M28.1Very low30.7Very low167 Ų167154.5 Ų154.582%0.82377%0.769SS**  trans-97.299.7154-76.2-147.4-163.500107.1Q359Q359-M361 VanDerWaalsContact C-N 3.28Å; Q359-M361 PolarHBondContact O-N 3.42Å
362Y28.4Very low30.7Very low236 Ų236151.8 Ų151.893%0.92576%0.763SS**  trans175.369.5157.5-86.4-63.7000106.2
363L29.7Very low30.8Very low160 Ų160148.9 Ų148.984%0.83875%0.748SS**  trans-113.2123.5155.6-92.9155.2000104.6D365L363-D365 PolarHBondContact O-N 2.88Å
364P31.4Very low30.8Very low103 Ų103154.4 Ų154.467%0.66976%0.756SS**  trans-62.3138.4176.327.2-30.6000108I366P364-I366 VanDerWaalsContact C-N 3.29Å; P364-I366 PolarHBondContact O-N 3.03Å
365D27.1Very low31.3Very low147 Ų147149.6 Ų149.679%0.78673%0.734SS**  trans-54.791.7171.7-72.3-44.4000109.8L363 I367L363-D365 PolarHBondContact O-N 2.88Å; D365-I367 PolarHBondContact O-N 2.95Å; D365-I367 VanDerWaalsContact O-N 3.14Å
366I29.2Very low31.5Very low142 Ų142152.1 Ų152.173%0.72874%0.736SS**  trans-85.763.1158.6-51.7174.6000105.7P364 E368P364-I366 VanDerWaalsContact C-N 3.29Å; P364-I366 PolarHBondContact O-N 3.03Å; I366-E368 HydrophobicContact CG2-CB 4.47Å
367I28.8Very low31.9Very low140 Ų140149.8 Ų149.872%0.71872%0.723SS**  trans-93.462.7153.8-53.8176.6000104.6D365 Q369D365-I367 PolarHBondContact O-N 2.95Å; D365-I367 VanDerWaalsContact O-N 3.14Å; I367-Q369 PolarHBondContact O-N 2.83Å
368E29.5Very low32Very low155 Ų155146.5 Ų146.572%0.72470%0.703SS**  trans-83.2114.2162.4-144.7172.9-161.700105.7I366 V370I366-E368 HydrophobicContact CG2-CB 4.47Å; E368-V370 PolarHBondContact O-N 3.35Å
369Q28.4Very low32Very low179 Ų179148.3 Ų148.384%0.83670%0.702SS**  trans-56.378.2170.6-70.3170.9-31.100109.4I367 E371I367-Q369 PolarHBondContact O-N 2.83Å; Q369-E371 PolarHBondContact O-N 3.12Å
370V30.4Very low32.1Very low108 Ų108146 Ų14666%0.65569%0.689SS**  trans-71.792.3153.2-174.90000103.6E368 N372E368-V370 PolarHBondContact O-N 3.35Å; V370-N372 PolarHBondContact O-N 3.46Å
371E29.5Very low32.4Very low133 Ų133141.3 Ų141.362%0.62168%0.675SS**  trans-46.795.9156.5-81.8-171.1132.400105.9Q369 K373Q369-E371 PolarHBondContact O-N 3.12Å; E371-K373 HydrophobicContact CB-CD 4.31Å; E371-K373 HydrophobicContact CB-CG 4.18Å; E371-K373 PolarHBondContact O-N 3.26Å; E371-K373 IonicContact OE1-NZ 3.68Å; E371-K373 WeakPolarHBondContact OE2-CE 3.45Å; E371-K373 IonicContact OE2-NZ 2.66Å; E371-K373 PolarHBondContact OE2-NZ 3.46Å
372N30.8Very low32.7Very low125 Ų125136 Ų13667%0.66866%0.663SS**  trans-71.671.3172.8-129.1-3.6000105V370 W374V370-N372 PolarHBondContact O-N 3.46Å; N372-W374 PolarHBondContact O-N 2.78Å
373K32.5Very low32.9Very low137 Ų137127.8 Ų127.860%0.59664%0.64SS**  trans-73.849173-88.8171.4172160.90108.6E371E371-K373 HydrophobicContact CB-CD 4.31Å; E371-K373 HydrophobicContact CB-CG 4.18Å; E371-K373 PolarHBondContact O-N 3.26Å; E371-K373 IonicContact OE1-NZ 3.68Å; E371-K373 WeakPolarHBondContact OE2-CE 3.45Å; E371-K373 IonicContact OE2-NZ 2.66Å; E371-K373 PolarHBondContact OE2-NZ 3.46Å
374W34.7Very low33.3Very low200 Ų200126.9 Ų126.976%0.75863%0.629SS**  trans-80.6120.2153.8-74.687.3000105.2N372 Y376N372-W374 PolarHBondContact O-N 2.78Å; W374-Y376 PolarHBondContact O-N 3.16Å
375P39.2Very low33.5Very low72 Ų72127.8 Ų127.847%0.46862%0.62SS.*  trans-54125171.923.2-30000106.1L377P375-L377 HydrophobicContact CB-CD2 4.4Å; P375-L377 HydrophobicContact CG-CD2 4.23Å; P375-L377 HydrophobicContact CG-CG 4.44Å; P375-L377 PolarHBondContact O-N 3.29Å
376Y35.7Very low34.1Very low198 Ų198125.3 Ų125.378%0.77661%0.61SS**  trans-57.695169.2-75.9-85.7000106.6W374 E378W374-Y376 PolarHBondContact O-N 3.16Å; Y376-E378 PolarHBondContact O-N 3.44Å
377L39.7Very low34.7Very low77 Ų77122.5 Ų122.540%0.40360%0.6SS.*  trans-78103.5175.1-65.6176.3000105.8P375 H379 F384 T386P375-L377 HydrophobicContact CB-CD2 4.4Å; P375-L377 HydrophobicContact CG-CD2 4.23Å; P375-L377 HydrophobicContact CG-CG 4.44Å; P375-L377 PolarHBondContact O-N 3.29Å; L377-H379 PolarHBondContact O-N 3.37Å; L377-H379 VanDerWaalsContact O-N 3.16Å; L377-F384 HydrophobicContact CB-CB 4Å; L377-F384 HydrophobicContact CB-CD1 3.57Å; L377-F384 HydrophobicContact CB-CE1 4.42Å; L377-F384 HydrophobicContact CB-CG 4.14Å; L377-F384 HydrophobicContact CD1-CB 3.94Å; L377-F384 HydrophobicContact CD1-CD1 3.81Å; L377-F384 HydrophobicContact CD1-CE1 4.41Å; L377-F384 HydrophobicContact CD1-CG 3.86Å; L377-F384 HydrophobicContact CD2-CB 4.01Å; L377-F384 HydrophobicContact CG-CB 4.18Å; L377-F384 HydrophobicContact CG-CD1 4.26Å; L377-F384 HydrophobicContact CG-CG 4.46Å; L377-T386 HydrophobicContact CD2-CG2 4.24Å
378E35.4Very low35.4Very low95 Ų95124.5 Ų124.544%0.44460%0.599SS.*EExtended strand (participates in β ladder)trans-65.1116.9168.3-80.6-164.5-179.300108.2Y376 K380 Y385 T387Y376-E378 PolarHBondContact O-N 3.44Å; E378-K380 PolarHBondContact O-N 3.05Å; E378-K380 IonicContact OE2-NZ 3.61Å; E378-K380 PolarHBondContact OE2-NZ 3.38Å; E378-Y385 PolarHBondContact N-O 3.25Å; E378-Y385 PolarHBondContact O-N 3.08Å; E378-T387 HydrophobicContact CG-CG2 4.29Å
379H35.4Very low35.9Very low126 Ų126122.8 Ų122.858%0.58360%0.601SS**EExtended strand (participates in β ladder)trans-82.1108.5172-176.9-103.5000109.3L377 G382L377-H379 PolarHBondContact O-N 3.37Å; L377-H379 VanDerWaalsContact O-N 3.16Å; H379-G382 WeakPolarHBondContact NE2-CA 3.22Å
380K38.6Very low36.7Very low121 Ų121120.8 Ų120.853%0.52660%0.595SS.*EExtended strand (participates in β ladder)trans-128.3124.8169.8-84.4175.5179.5137.40108.7E378 G382 C383 Y385E378-K380 PolarHBondContact O-N 3.05Å; E378-K380 IonicContact OE2-NZ 3.61Å; E378-K380 PolarHBondContact OE2-NZ 3.38Å; K380-G382 VanDerWaalsContact C-N 3.32Å; K380-G382 PolarHBondContact O-N 2.74Å; K380-C383 PolarHBondContact N-O 3.39Å; K380-C383 PolarHBondContact O-N 2.96Å; K380-C383 VanDerWaalsContact O-N 3.13Å; K380-Y385 HydrophobicContact CB-CD2 4.32Å; K380-Y385 HydrophobicContact CB-CE2 3.94Å
381K39Very low37Very low147 Ų147125 Ų12564%0.63961%0.608SS**THydrogen-bonded Turntrans53.139174.5-60.2-176.7176.5178.90115I50 C383I50-K381 PolarHBondContact O-NZ 3.35Å; K381-C383 VanDerWaalsContact C-N 3.29Å; K381-C383 PolarHBondContact O-N 2.99Å
382G33.5Very low37.3Very low55 Ų55121.4 Ų121.457%0.56761%0.606SS**THydrogen-bonded Turntrans80.55.3177.900000114.9H379 K380H379-G382 WeakPolarHBondContact NE2-CA 3.22Å; K380-G382 VanDerWaalsContact C-N 3.32Å; K380-G382 PolarHBondContact O-N 2.74Å
383C32Very low37.3Very low63 Ų63121.5 Ų121.543%0.42662%0.617SS.*EExtended strand (participates in β ladder)trans-118.1148177.3-63.70000110.8K380 K381 Y385K380-C383 PolarHBondContact N-O 3.39Å; K380-C383 PolarHBondContact O-N 2.96Å; K380-C383 VanDerWaalsContact O-N 3.13Å; K381-C383 VanDerWaalsContact C-N 3.29Å; K381-C383 PolarHBondContact O-N 2.99Å; C383-Y385 HydrophobicContact CB-CE2 3.91Å
384F38.8Very low37.4Very low141 Ų141127.6 Ų127.662%0.61864%0.644SS**EExtended strand (participates in β ladder)trans-99.1127.9174.4-64.1-69.9000109.6L377L377-F384 HydrophobicContact CB-CB 4Å; L377-F384 HydrophobicContact CB-CD1 3.57Å; L377-F384 HydrophobicContact CB-CE1 4.42Å; L377-F384 HydrophobicContact CB-CG 4.14Å; L377-F384 HydrophobicContact CD1-CB 3.94Å; L377-F384 HydrophobicContact CD1-CD1 3.81Å; L377-F384 HydrophobicContact CD1-CE1 4.41Å; L377-F384 HydrophobicContact CD1-CG 3.86Å; L377-F384 HydrophobicContact CD2-CB 4.01Å; L377-F384 HydrophobicContact CG-CB 4.18Å; L377-F384 HydrophobicContact CG-CD1 4.26Å; L377-F384 HydrophobicContact CG-CG 4.46Å
385Y36Very low37.6Very low123 Ų123124 Ų12448%0.48264%0.638SS.*EExtended strand (participates in β ladder)trans-112136.9176.6-61.2-85.5000110.1E378 K380 C383E378-Y385 PolarHBondContact N-O 3.25Å; E378-Y385 PolarHBondContact O-N 3.08Å; K380-Y385 HydrophobicContact CB-CD2 4.32Å; K380-Y385 HydrophobicContact CB-CE2 3.94Å; C383-Y385 HydrophobicContact CB-CE2 3.91Å
386T39.3Very low37.5Very low94 Ų94126.7 Ų126.758%0.57765%0.647SS**  trans-83.3133.2170.362.50000109.1L377L377-T386 HydrophobicContact CD2-CG2 4.24Å
387T42.4Very low37.6Very low84 Ų84122.8 Ų122.852%0.51564%0.64SS.*  trans-93.25.3-179.448.40000113.3E378E378-T387 HydrophobicContact CG-CG2 4.29Å
388R42.6Very low37.5Very low182 Ų182125.5 Ų125.569%0.68765%0.654SS**SBendtrans-118.1137-179.1-66.9-172.6179.9-176.1-0.3111.3L390R388-L390 PolarHBondContact O-N 3.04Å
389P41Very low37.6Very low118 Ų118127.4 Ų127.477%0.76667%0.667SS**  trans-60.9132.6166.726.2-30.8000109E391P389-E391 PolarHBondContact O-N 3.17Å; P389-E391 VanDerWaalsContact O-N 3.09Å
390L45.1Very low37.8Very low138 Ų138127.5 Ų127.572%0.72367%0.673SS**  trans-69.6100.4169.1-83152.7000107.5R388 G392R388-L390 PolarHBondContact O-N 3.04Å; L390-G392 PolarHBondContact O-N 3.32Å
391E36Very low37.7Very low196 Ų196127.9 Ų127.992%0.91668%0.683SS**  trans-69.3105.3160.4-77.5179.5164.900107.7P389P389-E391 PolarHBondContact O-N 3.17Å; P389-E391 VanDerWaalsContact O-N 3.09Å
392G35.4Very low37.6Very low58 Ų58126.5 Ų126.560%0.59869%0.686SS**  trans159.4114.317800000112.1L390L390-G392 PolarHBondContact O-N 3.32Å
393S31.4Very low37.9Very low126 Ų126132.4 Ų132.488%0.88170%0.696SS**  trans-61.7127.7171.548.20000111.3
394F35.4Very low38.5Very low266 Ų266138.7 Ų138.7100%1.16772%0.721SS**  trans-106.90158.2-86.7-78000109.8

Retrieved 394 of 394 residues in 79.6 ms (Link to these results)