A0A1S3Q8U8_SALSA Loading...

SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily D member 3 isoform X8

AlphaFold DB , UniProt , Accession A0A1S3Q8U8, Species SALSA (Salmo salar, Atlantic salmon), Gene LOC106590169, Length 506 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
1M35.8Very low32.9Very low238 Ų238140.1 Ų140.1100%1.17285%0.848SS**  0102.70-62.2166.9-174.500106.2
2A34.1Very low33Very low88 Ų88145.4 Ų145.473%0.72785%0.851SS**  cis59.2125.215.700000113.6
3T35.5Very low33.1Very low119 Ų119141.9 Ų141.973%0.7385%0.85SS**  cis-148.3-168.8-11.335.50000107.3
4E33.3Very low33.4Very low170 Ų170141.6 Ų141.679%0.79485%0.849SS**  cis-158.4-179.912.3-146140.911200111
5E36Very low33.9Very low181 Ų181143.7 Ų143.785%0.84684%0.843SS**  trans-92.9153168.7-63.7-175.611000112.1
6T33.4Very low34.5Very low147 Ų147139.4 Ų139.490%0.90282%0.822SS**  trans-146.6122.7151.7-39.80000112
7A33.7Very low34.8Very low100 Ų100142.2 Ų142.283%0.82682%0.822SS**  trans-104.8143.7175.400000112.5
8G27.7Very low35.3Very low80 Ų80140.6 Ų140.683%0.82581%0.809SS**  trans-129.564.9-176.200000114A10G8-A10 PolarHBondContact O-N 3.21Å
9G28Very low36Very low73 Ų73140.6 Ų140.675%0.75380%0.799SS**  trans-77.798.9-17300000115.3R11G9-R11 PolarHBondContact O-N 2.96Å
10A31.9Very low36.4Very low101 Ų101138.2 Ų138.284%0.83578%0.781SS**  trans-70.287.7177.500000113.6G8 K12G8-A10 PolarHBondContact O-N 3.21Å; A10-K12 PolarHBondContact O-N 3.32Å
11R32.9Very low36.8Very low244 Ų244137.9 Ų137.992%0.92177%0.771SS**  trans-73.8108.8173.1-71.7-174.5175.5178.3-0111.2G9 A13G9-R11 PolarHBondContact O-N 2.96Å; R11-A13 PolarHBondContact O-N 3.25Å; R11-A13 VanDerWaalsContact O-N 3.16Å
12K33.5Very low37.4Very low204 Ų204131.8 Ų131.889%0.88774%0.743SS**  trans-59.6113.2171.7-70.8178.1177.6175.30110.4A10 T14A10-K12 PolarHBondContact O-N 3.32Å; K12-T14 PolarHBondContact O-N 2.92Å
13A34.7Very low37.9Very low100 Ų100131.6 Ų131.683%0.82673%0.732SS**  trans-68.5112.917200000110.3R11 K15R11-A13 PolarHBondContact O-N 3.25Å; R11-A13 VanDerWaalsContact O-N 3.16Å; A13-K15 PolarHBondContact O-N 3.01Å
14T37.8Very low38.4Very low137 Ų137132.2 Ų132.284%0.8473%0.727SS**  trans-68.2110.7173.727.20000109.9K12 S16K12-T14 PolarHBondContact O-N 2.92Å; T14-S16 PolarHBondContact O-N 3.39Å
15K40.2Very low38.7Very low174 Ų174126.9 Ų126.976%0.75772%0.718SS**  trans-51.6114.8172.1-77.7-170170.9-169.70110.1A13 K17 E20A13-K15 PolarHBondContact O-N 3.01Å; K15-K17 PolarHBondContact O-N 3.38Å; K15-E20 IonicContact NZ-OE1 3.66Å; K15-E20 PolarHBondContact NZ-OE1 3.28Å; K15-E20 VanDerWaalsContact NZ-OE1 3.1Å
16S43.3Very low38.8Very low74 Ų74123.1 Ų123.152%0.51771%0.707SS.*  trans-71.2128.3174.6179.60000110.2T14 L18 F19T14-S16 PolarHBondContact O-N 3.39Å; S16-L18 PolarHBondContact O-N 3.3Å; S16-L18 PolarHBondContact OG-N 2.65Å; S16-F19 WeakPolarHBondContact O-CB 3.26Å; S16-F19 PolarHBondContact O-N 3.38Å
17K39.9Very low38.9Very low187 Ų187126.3 Ų126.381%0.81370%0.702SS**Hα-helixtrans-57.6-21175.4-69.7-177.8176179.70113.1K15 F19 F21K15-K17 PolarHBondContact O-N 3.38Å; K17-F19 VanDerWaalsContact C-N 3.27Å; K17-F19 PolarHBondContact O-N 2.92Å; K17-F21 PolarHBondContact O-N 2.81Å
18L43.6Very low38.8Very low114 Ų114127.5 Ų127.560%0.59770%0.701SS**Hα-helixtrans-63.9-32.6173.8-139.193.8000112.4S16 L22S16-L18 PolarHBondContact O-N 3.3Å; S16-L18 PolarHBondContact OG-N 2.65Å; L18-L22 HydrophobicContact CD2-CD1 4.24Å; L18-L22 WeakPolarHBondContact O-CB 3.14Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.23Å; L18-L22 VanDerWaalsContact O-N 3.07Å
19F48Very low39.4Very low140 Ų140127.3 Ų127.361%0.61470%0.7SS**Hα-helixtrans-71.9-45.9-176.3-171.5-95.1000111.8S16 K17 F21 L22 V23S16-F19 WeakPolarHBondContact O-CB 3.26Å; S16-F19 PolarHBondContact O-N 3.38Å; K17-F19 VanDerWaalsContact C-N 3.27Å; K17-F19 PolarHBondContact O-N 2.92Å; F19-F21 VanDerWaalsContact C-N 3.32Å; F19-F21 PolarHBondContact O-N 2.97Å; F19-L22 PolarHBondContact O-N 3.02Å; F19-V23 HydrophobicContact CD1-CG2 4.1Å; F19-V23 HydrophobicContact CE1-CG2 3.82Å; F19-V23 HydrophobicContact CE2-CG2 4.27Å; F19-V23 HydrophobicContact CG-CG2 4.44Å; F19-V23 HydrophobicContact CZ-CG2 3.92Å; F19-V23 WeakPolarHBondContact O-CB 3.29Å; F19-V23 WeakPolarHBondContact O-CG2 3.08Å; F19-V23 PolarHBondContact O-N 3.45Å
20E45.1Very low39.5Very low92 Ų92131.9 Ų131.943%0.4370%0.703SS.*Hα-helixtrans-66.4-35.2178.6-67.4-175.6169.200111.7K15 H24K15-E20 IonicContact NZ-OE1 3.66Å; K15-E20 PolarHBondContact NZ-OE1 3.28Å; K15-E20 VanDerWaalsContact NZ-OE1 3.1Å; E20-H24 PolarHBondContact O-N 3.41Å
21F45.2Very low39.5Very low132 Ų132133.1 Ų133.158%0.57970%0.703SS**Hα-helixtrans-62.9-44.7171.3-178.3-107000112.5K17 F19 G25K17-F21 PolarHBondContact O-N 2.81Å; F19-F21 VanDerWaalsContact C-N 3.32Å; F19-F21 PolarHBondContact O-N 2.97Å; F21-G25 WeakPolarHBondContact O-CA 3.38Å; F21-G25 PolarHBondContact O-N 3.18Å; F21-G25 VanDerWaalsContact O-N 3.1Å
22L47.5Very low39.4Very low110 Ų110127.6 Ų127.658%0.57670%0.702SS**Hα-helixtrans-68.7-36179.2-85.6164.5000114L18 F19L18-L22 HydrophobicContact CD2-CD1 4.24Å; L18-L22 WeakPolarHBondContact O-CB 3.14Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.23Å; L18-L22 VanDerWaalsContact O-N 3.07Å; F19-L22 PolarHBondContact O-N 3.02Å
23V44Very low39.3Very low84 Ų84121.3 Ų121.351%0.50970%0.695SS.*Hα-helixtrans-85.3-39.8-175.2173.80000112.5F19F19-V23 HydrophobicContact CD1-CG2 4.1Å; F19-V23 HydrophobicContact CE1-CG2 3.82Å; F19-V23 HydrophobicContact CE2-CG2 4.27Å; F19-V23 HydrophobicContact CG-CG2 4.44Å; F19-V23 HydrophobicContact CZ-CG2 3.92Å; F19-V23 WeakPolarHBondContact O-CB 3.29Å; F19-V23 WeakPolarHBondContact O-CG2 3.08Å; F19-V23 PolarHBondContact O-N 3.45Å
24H47.7Very low39.1Very low132 Ų132121.9 Ų121.961%0.61170%0.7SS**Hα-helixtrans-104.7-19.8-173.3-63.3-67.9000114.5E20 V26E20-H24 PolarHBondContact O-N 3.41Å; H24-V26 HydrophobicContact CB-CG2 4.41Å; H24-V26 PolarHBondContact O-N 3.18Å
25G38.7Very low38.8Very low59 Ų59127 Ų12761%0.60870%0.704SS**  trans65.45.5178.600000115.5F21F21-G25 WeakPolarHBondContact O-CA 3.38Å; F21-G25 PolarHBondContact O-N 3.18Å; F21-G25 VanDerWaalsContact O-N 3.1Å
26V37.6Very low38.4Very low101 Ų101127 Ų12761%0.61271%0.709SS**PPolyproline II helixtrans-81121.9-179.3179.80000110H24H24-V26 HydrophobicContact CB-CG2 4.41Å; H24-V26 PolarHBondContact O-N 3.18Å
27R35.9Very low37.9Very low214 Ų214129 Ų12981%0.80872%0.719SS**PPolyproline II helixtrans-76.9129.7165.9-164.2-178.3-166.5-168.84.3108.4G29R27-G29 PolarHBondContact O-N 3.02Å
28P30.9Very low37.7Very low125 Ų125129.2 Ų129.281%0.81272%0.723SS**THydrogen-bonded Turntrans-59.1129.5178.5-24.434000111.8
29G40.2Very low37.1Very low77 Ų77132.3 Ų132.379%0.79473%0.734SS**THydrogen-bonded Turntrans123.88.8164.300000119.2R27R27-G29 PolarHBondContact O-N 3.02Å
30M31.5Very low36.4Very low168 Ų168129.2 Ų129.283%0.82874%0.742SS**  trans-135.2139.6174.7-65.8-179.47500112.5
31P30.9Very low35.8Very low128 Ų128129.6 Ų129.683%0.83176%0.761SS**PPolyproline II helixtrans-78.1151.3176.832.6-35000112.4
32S32.3Very low35.4Very low128 Ų128129.5 Ų129.590%0.89577%0.774SS**PPolyproline II helixtrans-78.4120.4-176.5-61.70000113.3
33G29.5Very low35Very low72 Ų72133 Ų13374%0.74279%0.789SS**PPolyproline II helixtrans-78.2154.6164.800000112.8
34A30.6Very low34.5Very low111 Ų111132.2 Ų132.292%0.91780%0.798SS**PPolyproline II helixtrans-68.5152-175.700000113.7
35R31.4Very low34.2Very low246 Ų246132 Ų13293%0.92881%0.808SS**  trans-113.2108.9-174.2-169-178.8-168.51784.1110.8
36M33.3Very low34.2Very low174 Ų174135.2 Ų135.286%0.85782%0.819SS**PPolyproline II helixtrans-71.6145.8175.7-70.7-69.7-81.200111.8
37P32.8Very low34.1Very low115 Ų115133.8 Ų133.875%0.74782%0.824SS**PPolyproline II helixtrans-79.4138.8176.732.1-33.9000111.7
38H34.9Very low34.2Very low191 Ų191129.8 Ų129.888%0.88483%0.826SS**PPolyproline II helixtrans-89.1125.9173.6-159.4-51000109.6
39Q31.5Very low34.8Very low179 Ų179129.2 Ų129.284%0.83682%0.822SS**PPolyproline II helixtrans-69145.6172.9-67.9176.2-10.700110.8
40G32Very low34.5Very low76 Ų76136.2 Ų136.278%0.78483%0.831SS**PPolyproline II helixtrans-91.8156.7175.400000112.7
41A33.6Very low34.4Very low100 Ų100132 Ų13283%0.82683%0.83SS**PPolyproline II helixtrans-80.9145.7175.600000111.7
42P37.6Very low34.2Very low129 Ų129129.6 Ų129.684%0.83883%0.83SS**PPolyproline II helixtrans-78.9145.2-179.531.8-34.9000112.8
43M37.3Very low34.1Very low185 Ų185129.2 Ų129.291%0.91183%0.827SS**PPolyproline II helixtrans-91.8144.7168.3-74.6-73.8-77.700110.5
44G34.3Very low34.8Very low67 Ų67131.5 Ų131.569%0.69183%0.828SS**PPolyproline II helixtrans-76.7159.3178.200000114.2
45P42.2Very low34.7Very low126 Ų126131.1 Ų131.182%0.81883%0.826SS**PPolyproline II helixtrans-79.8159.7-176.733.1-36.3000114
46P37.4Very low34.7Very low128 Ų128125.4 Ų125.483%0.83182%0.818SS**PPolyproline II helixtrans-81.5154.3-179.933.9-36000113.6
47G35.3Very low34.6Very low70 Ų70128.1 Ų128.172%0.72282%0.818SS**PPolyproline II helixtrans-93.2161174.700000114.4
48P39.6Very low34.8Very low130 Ų130128 Ų12884%0.84482%0.818SS**PPolyproline II helixtrans-86.8165.8-173.1-7.127.3000114.5
49P42.9Very low34.5Very low114 Ų114122.6 Ų122.674%0.7481%0.814SS**PPolyproline II helixtrans-95.9151.7-17537.3-34.5000114.3
50F32.7Very low34.5Very low223 Ų223121.9 Ų121.998%0.97881%0.814SS**  trans-140.5150.2155-98.4-86000109.3
51G30.1Very low34.7Very low79 Ų79124.1 Ų124.181%0.81482%0.815SS**  trans-127.3168.7-174.700000113.6
52G27.6Very low34.5Very low79 Ų79124 Ų12481%0.81481%0.814SS**  trans175.8117177.300000111.7
53S29Very low34.5Very low119 Ų119123.7 Ų123.783%0.83281%0.812SS**  trans-137.8167.7179-59.80000108.8
54P43.9Very low34.2Very low120 Ų120121.2 Ų121.278%0.77981%0.807SS**  cis-125.4-178.8-43.837.6-24.1000111.1
55A30.1Very low34Very low104 Ų104126.6 Ų126.686%0.8682%0.817SS**  trans-131.6145.616700000111
56V31.7Very low33.3Very low126 Ų126129 Ų12976%0.76482%0.817SS**  trans-144.7155.1-169.7-172.60000110.7
57R30.1Very low33.2Very low230 Ų230128.9 Ų128.987%0.86882%0.816SS**  trans91.2159.2172-57.2-173.8157.9-154.5-4.4115.9
58P36.3Very low33Very low114 Ų114130.4 Ų130.474%0.7482%0.816SS**  -138.1155.4-54.638.7-23.8000113.4
59G29.8Very low32.5Very low77 Ų77136 Ų13679%0.79482%0.82SS**  trans-115.9126.9167.500000111.7
60L32Very low32Very low163 Ų163140 Ų14085%0.85383%0.825SS**  trans-90.2145.3170.4-88.686.2000111.2
61P36.3Very low31.7Very low124 Ų124140.8 Ų140.881%0.80582%0.822SS**  trans-86.7157.3168.135.8-33.8000112.3
62A28.6Very low31.8Very low97 Ų97143.1 Ų143.180%0.80282%0.823SS**  trans-134.8157.4168.100000109.9
63P38.3Very low31.9Very low122 Ų122143.8 Ų143.879%0.79282%0.821SS**  trans-110.2175.3-15140.9-35.7000115
64V29.4Very low32.2Very low134 Ų134143.7 Ų143.781%0.81282%0.817SS**  -163133.6129.1137.70000112.1
65M30.4Very low31.5Very low180 Ų180143.6 Ų143.689%0.88782%0.819SS**  trans8.1134.8163.9-56.4-177.1178.700123.5
66E28Very low31.5Very low176 Ų176147.5 Ų147.582%0.82282%0.82SS**  trans-128.7134148.9179.5-174.6-142.500108.7
67P36.2Very low31.4Very low126 Ų126151 Ų15182%0.81883%0.828SS**  trans-101.8131177.835.3-29.8000113.4
68S29.8Very low31.3Very low101 Ų101146.3 Ų146.371%0.70682%0.824SS**  trans-103.8144.3-178.2-25.40000113.6
69R30.6Very low31Very low249 Ų249149.2 Ų149.294%0.9483%0.828SS**  172.9154.5120.1-93165.4-173.7-156.51.9116.5
70K30.6Very low31Very low196 Ų196154 Ų15485%0.85283%0.83SS**  trans-63.9144.3-173.3-57.9165.5173.7178.10117
71R26.3Very low30.9Very low241 Ų241155 Ų15591%0.90983%0.83SS**  trans54163.6134.2-88.3-170.8-173.5-170.73.9119.8
72P32.8Very low30.6Very low128 Ų128157.8 Ų157.883%0.83183%0.832SS**  cis-123.2-165.623.142.4-26.4000115.8
73A30.9Very low30.4Very low93 Ų93160 Ų16077%0.76983%0.831SS**  trans-122.9158.8-177.500000111.6
74P34.7Very low30Very low117 Ų117159.9 Ų159.976%0.7683%0.828SS**  trans-121.2143.2166.738.2-27000114.9
75S29.5Very low30.1Very low118 Ų118162.1 Ų162.183%0.82583%0.829SS**  trans37.6140.4145.856.50000124
76Q29.7Very low30Very low186 Ų186161.5 Ų161.587%0.86983%0.83SS**  trans-63157164.5-57.5158.1-30.400113.2
77Q29.1Very low30.1Very low200 Ų200163.9 Ų163.994%0.93583%0.831SS**  trans-150.9164.2144.8-120.5175.45.900111.5
78V27.4Very low29.7Very low130 Ų130162.6 Ų162.679%0.78883%0.831SS**  trans-130.1125.7-164.9178.60000111.2
79Q30.7Very low29.7Very low176 Ų176168 Ų16882%0.82284%0.835SS**  trans-154.2111.4159.4-113.3161.5-12.700107.7
80Q30.1Very low29.7Very low176 Ų176165.8 Ų165.882%0.82283%0.833SS**  89.511959-172.7175.456.700111.5
81Q28.7Very low29.6Very low186 Ų186165.9 Ų165.987%0.86983%0.833SS**  trans-80.5148.4179.8-62.6168.7-38.100111.5
82Q30Very low30Very low182 Ų182160.4 Ų160.485%0.8583%0.829SS**  trans-161.7151.2134.2-112.2170.628.700113.2
83N26.1Very low29.9Very low143 Ų143160.8 Ų160.877%0.76583%0.828SS**  trans-4.5153.2157.7-60.7-25.6000118.9
84V29.8Very low29.7Very low120 Ų120159.7 Ų159.773%0.72783%0.827SS**  -164.5131.571.7154.40000114.4
85Q30.7Very low29.4Very low180 Ų180163.5 Ų163.584%0.84183%0.832SS**  trans49.8122.9148-65.6171.5-13.800123.9
86N29.2Very low30Very low168 Ų168163.8 Ų163.890%0.89883%0.83SS**  trans-37.6142.1143-83.1-37.8000114.5
87R28.5Very low29.8Very low226 Ų226158.4 Ų158.485%0.85383%0.825SS**  trans-148.3116.3151.9-159.3175.9-168-178.26.1112.9
88A28.8Very low29.8Very low98 Ų98153.4 Ų153.481%0.8182%0.818SS**  trans-94.3140.3175.700000112.5
89R30.1Very low29.8Very low214 Ų214154.7 Ų154.781%0.80882%0.82SS**  trans-153.7112.8159-101.1176.2177.3-167.7-4107.6
90K30.4Very low29.7Very low203 Ų203155.8 Ų155.888%0.88383%0.826SS**  68.8118.795.5-80-159.9172.5-169.30114.8
91K28.8Very low29.7Very low198 Ų198155.7 Ų155.786%0.86183%0.827SS**  trans-67.2160.9166.4-60.7-179.5176.7-176.60112
92P33.3Very low29.7Very low127 Ų127153 Ų15383%0.82583%0.826SS**  trans-112.5-177.3132.235.6-30.6000111.8
93V32.3Very low29.8Very low135 Ų135148.9 Ų148.982%0.81882%0.823SS**  trans-127.4145.2-169.1-179.10000110.6
94G27Very low30Very low71 Ų71153.9 Ų153.973%0.73283%0.831SS**  trans-166.9139.8172.100000112.8
95F27.3Very low30Very low197 Ų197157.3 Ų157.386%0.86484%0.839SS**  trans-132.6168.4175.7-97.9-115.6000107
96P42.3Very low29.9Very low123 Ų123157 Ų15780%0.79984%0.839SS**  cis-132178.7-39.536.9-20.9000112.1
97G26.4Very low29.9Very low73 Ų73154.3 Ų154.375%0.75383%0.825SS**  trans-176.1113.1168.900000116.6
98A27.7Very low30Very low95 Ų95150.7 Ų150.779%0.78582%0.82SS**  trans47.5137.1153.700000122.7
99N27.1Very low30.1Very low157 Ų157155.6 Ų155.684%0.8482%0.817SS**  trans33.8122.1150.3-62.51.1000121.2
100E28.8Very low30Very low200 Ų200151.7 Ų151.794%0.93581%0.812SS**  -162.6173.3112.7-114.3174.5-16300112.9
101M30.6Very low30.1Very low174 Ų174146.7 Ų146.786%0.85781%0.809SS**  trans-87.6149.3-169.7-64.6-140.7-65.500114A103M101-A103 PolarHBondContact O-N 2.83Å
102P29.9Very low30.2Very low130 Ų130146.6 Ų146.684%0.84481%0.812SS**  trans-73.1100.3179.629.6-34.8000112.1
103A30.7Very low30.1Very low94 Ų94145.6 Ų145.678%0.77781%0.807SS**  trans-64.1142.9168.500000111.3M101 Q105M101-A103 PolarHBondContact O-N 2.83Å; A103-Q105 PolarHBondContact O-N 2.92Å; A103-Q105 VanDerWaalsContact O-N 3.14Å
104R31.6Very low30Very low249 Ų249145 Ų14594%0.9480%0.8SS**  trans-70.7107.6179.6-72.4178.8174.7165.1-1.7111M106R104-M106 PolarHBondContact O-N 3.37Å
105Q28Very low30.4Very low192 Ų192147.4 Ų147.490%0.89780%0.802SS**  trans-72.3117.9171.1-162.9169.223.100110A103A103-Q105 PolarHBondContact O-N 2.92Å; A103-Q105 VanDerWaalsContact O-N 3.14Å
106M29.2Very low30.8Very low173 Ų173143 Ų14385%0.85279%0.792SS**  trans-81.5118.4169.9-73.6-173.8174.200109.4R104 M108R104-M106 PolarHBondContact O-N 3.37Å; M106-M108 VanDerWaalsContact C-N 3.28Å; M106-M108 PolarHBondContact O-N 3.5Å
107D28.7Very low30.4Very low111 Ų111145.7 Ų145.759%0.59480%0.799SS**  trans-8072.3-178.8-166.4-0.8000110.9R109D107-R109 VanDerWaalsContact CG-NE 3.33Å; D107-R109 PolarHBondContact O-N 2.97Å; D107-R109 VanDerWaalsContact O-N 3.07Å; D107-R109 WeakPolarHBondContact OD1-CG 3.33Å; D107-R109 IonicContact OD1-CZ 3.92Å; D107-R109 IonicContact OD1-NE 2.69Å; D107-R109 PolarHBondContact OD1-NE 3.01Å; D107-R109 IonicContact OD1-NH2 3.45Å; D107-R109 IonicContact OD2-CZ 3.73Å; D107-R109 VanDerWaalsContact OD2-CZ 3.26Å; D107-R109 IonicContact OD2-NE 3.72Å; D107-R109 PolarHBondContact OD2-NE 3.26Å; D107-R109 IonicContact OD2-NH2 2.77Å; D107-R109 PolarHBondContact OD2-NH2 3.42Å
108M32.3Very low30.6Very low150 Ų150145.6 Ų145.674%0.73980%0.798SS**  trans-71.789.8170.8-85.7-79-72.800109.8M106 D110M106-M108 VanDerWaalsContact C-N 3.28Å; M106-M108 PolarHBondContact O-N 3.5Å; M108-D110 PolarHBondContact O-N 2.88Å
109R30.3Very low31.1Very low201 Ų201146.9 Ų146.976%0.75880%0.801SS**  trans-90.192.4169-57.6-169.7-163177.88.4109.9D107D107-R109 VanDerWaalsContact CG-NE 3.33Å; D107-R109 PolarHBondContact O-N 2.97Å; D107-R109 VanDerWaalsContact O-N 3.07Å; D107-R109 WeakPolarHBondContact OD1-CG 3.33Å; D107-R109 IonicContact OD1-CZ 3.92Å; D107-R109 IonicContact OD1-NE 2.69Å; D107-R109 PolarHBondContact OD1-NE 3.01Å; D107-R109 IonicContact OD1-NH2 3.45Å; D107-R109 IonicContact OD2-CZ 3.73Å; D107-R109 VanDerWaalsContact OD2-CZ 3.26Å; D107-R109 IonicContact OD2-NE 3.72Å; D107-R109 PolarHBondContact OD2-NE 3.26Å; D107-R109 IonicContact OD2-NH2 2.77Å; D107-R109 PolarHBondContact OD2-NH2 3.42Å
110D28.1Very low31.5Very low132 Ų132146.6 Ų146.671%0.70680%0.8SS**  trans-56.1137.2166.6-78.6-59.1000110.7M108 Q112M108-D110 PolarHBondContact O-N 2.88Å; D110-Q112 VanDerWaalsContact C-N 3.34Å; D110-Q112 PolarHBondContact O-N 3.45Å
111A31.7Very low32.2Very low99 Ų99141.6 Ų141.682%0.81879%0.793SS**  trans-75.18717800000109.8S113A111-S113 PolarHBondContact O-N 3.3Å
112Q31.7Very low33.3Very low196 Ų196141.8 Ų141.892%0.91679%0.789SS**  trans-67.294-176.2-158.6167.527.800111.1D110 D114D110-Q112 VanDerWaalsContact C-N 3.34Å; D110-Q112 PolarHBondContact O-N 3.45Å; Q112-D114 PolarHBondContact O-N 3.48Å
113S31.1Very low34.5Very low105 Ų105147.1 Ų147.173%0.73479%0.792SS**  trans-76.1111179.758.30000111.2A111 P115A111-S113 PolarHBondContact O-N 3.3Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å
114D29.1Very low36.1Very low122 Ų122149.5 Ų149.565%0.65278%0.781SS**  trans-64119.6172.9-172.3-25.5000110.9Q112 T116Q112-D114 PolarHBondContact O-N 3.48Å; D114-T116 VanDerWaalsContact C-N 3.34Å; D114-T116 PolarHBondContact O-N 3.06Å; D114-T116 WeakPolarHBondContact OD1-CB 3.26Å; D114-T116 WeakPolarHBondContact OD1-CG2 3.43Å; D114-T116 PolarHBondContact OD1-N 3.22Å; D114-T116 VanDerWaalsContact OD1-N 3.15Å; D114-T116 PolarHBondContact OD1-OG1 3.07Å
115P35.5Very low37.7Very low122 Ų122144.8 Ų144.879%0.79277%0.767SS**  trans-92.633.1-174.738.7-35.9000113.7S113S113-P115 WeakPolarHBondContact O-CD 3.38Å
116T35.2Very low39.4Very low106 Ų106140 Ų14065%0.6575%0.746SS**  trans-116.923-170.865.40000117.3D114D114-T116 VanDerWaalsContact C-N 3.34Å; D114-T116 PolarHBondContact O-N 3.06Å; D114-T116 WeakPolarHBondContact OD1-CB 3.26Å; D114-T116 WeakPolarHBondContact OD1-CG2 3.43Å; D114-T116 PolarHBondContact OD1-N 3.22Å; D114-T116 VanDerWaalsContact OD1-N 3.15Å; D114-T116 PolarHBondContact OD1-OG1 3.07Å
117L34.8Very low41.2Very low178 Ų178134.9 Ų134.993%0.93273%0.731SS**  trans-118.1119.9165-74.5176000111.9
118G31.4Very low43.4Very low72 Ų72132.2 Ų132.274%0.74272%0.717SS**  trans-90.8-173.7-177.200000115.1
119S36.9Very low45.6Very low122 Ų122126.9 Ų126.985%0.85369%0.689SS**  trans80.7128.3-179-161.70000116.8A121S119-A121 VanDerWaalsContact C-N 3.28Å; S119-A121 PolarHBondContact O-N 3.04Å
120N36.5Very low48.2Very low151 Ų151120.3 Ų120.381%0.80767%0.669SS**  trans-76.272178-94.4-78.4000111.6K122N120-K122 PolarHBondContact O-N 3.24Å
121A43.3Very low51Low95 Ų95114.8 Ų114.879%0.78564%0.639SS**  trans-69.573.7163.500000110.1S119 R123S119-A121 VanDerWaalsContact C-N 3.28Å; S119-A121 PolarHBondContact O-N 3.04Å; A121-R123 PolarHBondContact O-N 3.36Å; A121-R123 VanDerWaalsContact O-N 3.15Å
122K52.7Low53.5Low177 Ų177112.7 Ų112.777%0.7762%0.617SS**  trans-48.8123.3170.4-77.3177.1178.2169.30108N120 R124N120-K122 PolarHBondContact O-N 3.24Å; K122-R124 PolarHBondContact O-N 2.81Å
123R56.1Low56Low243 Ų243108.8 Ų108.892%0.91760%0.599SS**  trans-52.4109.6174.3-87.1-176.9168.3-179.3-3.8108.7A121 K125A121-R123 PolarHBondContact O-N 3.36Å; A121-R123 VanDerWaalsContact O-N 3.15Å; R123-K125 PolarHBondContact O-N 2.88Å
124R63.7Low58.4Low144 Ų144112.1 Ų112.154%0.54360%0.596SS.*  trans-56.7132.3-177.6-63.4177.2-175157.1-3.7109K122 N413K122-R124 PolarHBondContact O-N 2.81Å; R124-N413 PolarHBondContact NH1-OD1 2.85Å; R124-N413 PolarHBondContact NH2-OD1 3.04Å
125K66.2Low61.1Low150 Ų150106.9 Ų106.965%0.65257%0.567SS**  trans-90151.1-175.3-61.1177.3179.21790108.9R123 A127 D128R123-K125 PolarHBondContact O-N 2.88Å; K125-A127 HydrophobicContact CB-CB 4.44Å; K125-A127 PolarHBondContact O-N 3.05Å; K125-A127 VanDerWaalsContact O-N 3.15Å; K125-D128 PolarHBondContact N-OD2 3.24Å; K125-D128 VanDerWaalsContact O-CB 3.25Å; K125-D128 WeakPolarHBondContact O-CB 3.47Å; K125-D128 PolarHBondContact O-N 3.23Å
126M63.5Low63.4Low91 Ų91104.6 Ų104.645%0.44854%0.543SS..G310 helixtrans-59-28.6174.7-164.7-150.914500112.1D128 K129 I130 R153M126-D128 PolarHBondContact O-N 2.94Å; M126-K129 PolarHBondContact O-N 2.97Å; M126-I130 HydrophobicContact CE-CD1 4.03Å; M126-I130 HydrophobicContact CE-CG1 4.39Å; M126-R153 VanDerWaalsContact CE-CZ 3.45Å
127A67.6Low65.8Low65 Ų65105.5 Ų105.554%0.53754%0.54SS..G310 helixtrans-57.1-31.5172.400000113.1K125 K129 I130K125-A127 HydrophobicContact CB-CB 4.44Å; K125-A127 PolarHBondContact O-N 3.05Å; K125-A127 VanDerWaalsContact O-N 3.15Å; A127-K129 PolarHBondContact O-N 3.2Å; A127-I130 PolarHBondContact O-N 3.36Å
128D73.1Confident68Low56 Ų56100.9 Ų100.930%0.29952%0.516SS..G310 helixtrans-75.8-7.1-175.6-45.8-19.6000112.3K125 M126 H416K125-D128 PolarHBondContact N-OD2 3.24Å; K125-D128 VanDerWaalsContact O-CB 3.25Å; K125-D128 WeakPolarHBondContact O-CB 3.47Å; K125-D128 PolarHBondContact O-N 3.23Å; M126-D128 PolarHBondContact O-N 2.94Å; D128-H416 PolarHBondContact O-ND1 3.09Å; D128-H416 VanDerWaalsContact O-ND1 3.14Å
129K79.4Confident70.6Confident37 Ų37100.5 Ų100.516%0.16150%0.499CS..G310 helixtrans-99.2-5.2167.2-60-160.5-169.6-165.40113.6M126 A127 Y145 L149 E152 D412 I419M126-K129 PolarHBondContact O-N 2.97Å; A127-K129 PolarHBondContact O-N 3.2Å; K129-Y145 WeakPolarHBondContact O-CE1 3.47Å; K129-Y145 PolarHBondContact O-OH 3.14Å; K129-L149 HydrophobicContact CB-CD1 4.49Å; K129-L149 HydrophobicContact CB-CD2 4.23Å; K129-L149 HydrophobicContact CD-CD2 4.1Å; K129-L149 WeakPolarHBondContact O-CD1 3.49Å; K129-E152 IonicContact NZ-OE1 3.34Å; K129-E152 PolarHBondContact NZ-OE1 3.45Å; K129-D412 WeakPolarHBondContact CE-OD1 3.47Å; K129-D412 VanDerWaalsContact CE-OD2 3.23Å; K129-D412 WeakPolarHBondContact CE-OD2 3.03Å; K129-D412 IonicContact NZ-OD1 3.08Å; K129-D412 PolarHBondContact NZ-OD1 3.25Å; K129-D412 IonicContact NZ-OD2 2.58Å; K129-D412 PolarHBondContact NZ-OD2 2.65Å; K129-I419 WeakPolarHBondContact O-CD1 3.37Å
130I85.3Confident72.8Confident63 Ų6399.6 Ų99.632%0.32349%0.49SS..PPolyproline II helixtrans-95.1127.6-171.1-64.5174.2000111.6M126 A127 P132 M146M126-I130 HydrophobicContact CE-CD1 4.03Å; M126-I130 HydrophobicContact CE-CG1 4.39Å; A127-I130 PolarHBondContact O-N 3.36Å; I130-P132 WeakPolarHBondContact O-CD 3.48Å; I130-M146 HydrophobicContact CG2-CE 4.09Å; I130-M146 HydrophobicContact CG2-SD 4.25Å
131L85.5Confident75.3Confident16 Ų1698.7 Ų98.78%0.08448%0.481CS..PPolyproline II helixtrans-69.3124.5171.5-68.1176.5000111.3R136 Y145 I419 I422L131-R136 HydrophobicContact CB-CG 3.83Å; L131-R136 PolarHBondContact O-NE 3.21Å; L131-Y145 HydrophobicContact CD1-CD1 3.66Å; L131-Y145 HydrophobicContact CD1-CE1 4.29Å; L131-Y145 HydrophobicContact CD1-CG 4.43Å; L131-Y145 HydrophobicContact CG-CD1 3.92Å; L131-Y145 HydrophobicContact CG-CE1 4.07Å; L131-I419 HydrophobicContact CD2-CG1 4.12Å; L131-I422 HydrophobicContact CD2-CG2 4.36Å
132P85Confident77.5Confident56 Ų5694.5 Ų94.536%0.36445%0.446SS..PPolyproline II helixtrans-59.8146.6177-24.734.9000112.2I130 R134 I135 R136 N423I130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-R134 VanDerWaalsContact C-N 3.31Å; P132-R134 PolarHBondContact O-N 3.34Å; P132-I135 HydrophobicContact CB-CG1 4.29Å; P132-I135 HydrophobicContact CG-CD1 4.4Å; P132-I135 WeakPolarHBondContact O-CA 3.26Å; P132-I135 WeakPolarHBondContact O-CB 3.31Å; P132-I135 PolarHBondContact O-N 2.89Å; P132-R136 PolarHBondContact O-N 3.3Å; P132-N423 WeakPolarHBondContact CG-OD1 3.43Å
133Q83.7Confident79.3Confident114 Ų11490.5 Ų90.553%0.53343%0.43SS..Hα-helixtrans-58.5-39.9-171.2-173.9171.9-39.900113.5I135 R136 E137Q133-I135 PolarHBondContact O-N 3.11Å; Q133-R136 WeakPolarHBondContact O-CA 3.23Å; Q133-R136 PolarHBondContact O-N 3.32Å; Q133-E137 HydrophobicContact CG-CG 4.3Å; Q133-E137 VanDerWaalsContact CG-OE1 3.3Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.14Å; Q133-E137 PolarHBondContact NE2-OE1 3.19Å; Q133-E137 WeakPolarHBondContact O-CG 3.32Å; Q133-E137 PolarHBondContact O-N 3.39Å
134R82.8Confident81Confident175 Ų17581.8 Ų81.866%0.6641%0.41SS*.Hα-helixtrans-63.4-9.9175.3-61.3-172.2-172179.94.6114.6P132 L138P132-R134 VanDerWaalsContact C-N 3.31Å; P132-R134 PolarHBondContact O-N 3.34Å; R134-L138 VanDerWaalsContact O-CD1 3.22Å; R134-L138 WeakPolarHBondContact O-CD1 3.32Å; R134-L138 WeakPolarHBondContact O-CG 3.36Å
135I84.9Confident82.3Confident12 Ų1277.6 Ų77.66%0.06240%0.395CS..Hα-helixtrans-95.9-38.9170.8-46.7-159.2000109.6P132 Q133 E137 L138 V139 I422 N423 K426P132-I135 HydrophobicContact CB-CG1 4.29Å; P132-I135 HydrophobicContact CG-CD1 4.4Å; P132-I135 WeakPolarHBondContact O-CA 3.26Å; P132-I135 WeakPolarHBondContact O-CB 3.31Å; P132-I135 PolarHBondContact O-N 2.89Å; Q133-I135 PolarHBondContact O-N 3.11Å; I135-E137 VanDerWaalsContact C-N 3.28Å; I135-E137 PolarHBondContact O-N 3.42Å; I135-L138 WeakPolarHBondContact O-CB 3.4Å; I135-L138 PolarHBondContact O-N 2.98Å; I135-V139 PolarHBondContact O-N 2.58Å; I135-I422 HydrophobicContact CD1-CG2 3.74Å; I135-I422 HydrophobicContact CG2-CG2 3.86Å; I135-N423 VanDerWaalsContact CD1-OD1 3.25Å; I135-N423 WeakPolarHBondContact CD1-OD1 3.5Å; I135-K426 HydrophobicContact CD1-CB 3.85Å; I135-K426 HydrophobicContact CD1-CD 3.97Å; I135-K426 HydrophobicContact CD1-CG 3.87Å; I135-K426 HydrophobicContact CG1-CB 4.39Å; I135-K426 HydrophobicContact CG1-CD 3.91Å; I135-K426 HydrophobicContact CG1-CG 3.87Å
136R84.8Confident83.5Confident73 Ų7372 Ų7228%0.27537%0.371SS..Hα-helixtrans-63.3-33.9176.9-62.2-170-77.7108.8-0.1113.2L131 P132 Q133 L138 S142L131-R136 HydrophobicContact CB-CG 3.83Å; L131-R136 PolarHBondContact O-NE 3.21Å; P132-R136 PolarHBondContact O-N 3.3Å; Q133-R136 WeakPolarHBondContact O-CA 3.23Å; Q133-R136 PolarHBondContact O-N 3.32Å; R136-L138 PolarHBondContact O-N 3.44Å; R136-S142 WeakPolarHBondContact CA-OG 3.36Å; R136-S142 WeakPolarHBondContact CB-OG 3.3Å; R136-S142 PolarHBondContact O-OG 3.49Å
137E83.8Confident84.9Confident126 Ų12671.8 Ų71.859%0.58937%0.372SS*.THydrogen-bonded Turntrans-68.8-10.8173.1-70.2161.2175.900113.9Q133 I135Q133-E137 HydrophobicContact CG-CG 4.3Å; Q133-E137 VanDerWaalsContact CG-OE1 3.3Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.14Å; Q133-E137 PolarHBondContact NE2-OE1 3.19Å; Q133-E137 WeakPolarHBondContact O-CG 3.32Å; Q133-E137 PolarHBondContact O-N 3.39Å; I135-E137 VanDerWaalsContact C-N 3.28Å; I135-E137 PolarHBondContact O-N 3.42Å
138L81.9Confident86.1Confident81 Ų8174.1 Ų74.142%0.42438%0.375SS..THydrogen-bonded Turntrans-107-16.6-178.4-62.7175.1000114.1R134 I135 R136R134-L138 VanDerWaalsContact O-CD1 3.22Å; R134-L138 WeakPolarHBondContact O-CD1 3.32Å; R134-L138 WeakPolarHBondContact O-CG 3.36Å; I135-L138 WeakPolarHBondContact O-CB 3.4Å; I135-L138 PolarHBondContact O-N 2.98Å; R136-L138 PolarHBondContact O-N 3.44Å
139V85.1Confident87Confident63 Ų6371.9 Ų71.938%0.38236%0.363SS..  trans-139106.1-171.7-178.70000108.9I135 E141 S142I135-V139 PolarHBondContact O-N 2.58Å; V139-E141 VanDerWaalsContact C-N 3.29Å; V139-E141 HydrophobicContact CG1-CB 4.34Å; V139-E141 VanDerWaalsContact CG1-OE2 3.26Å; V139-E141 WeakPolarHBondContact CG1-OE2 3.42Å; V139-E141 PolarHBondContact O-N 2.93Å; V139-S142 WeakPolarHBondContact O-CB 3.46Å; V139-S142 PolarHBondContact O-N 3.5Å; V139-S142 VanDerWaalsContact O-N 3.11Å; V139-S142 PolarHBondContact O-OG 2.87Å
140P83.8Confident87.6Confident104 Ų10471.4 Ų71.468%0.67537%0.365SS*.THydrogen-bonded Turntrans-64.7-31.1-173.824.5-32.2000113.2S142 Q143P140-S142 PolarHBondContact O-N 3.35Å; P140-S142 VanDerWaalsContact O-N 3.14Å; P140-Q143 PolarHBondContact O-N 2.95Å
141E89.3Confident88.1Confident131 Ų13174.7 Ų74.761%0.61238%0.377SS*.THydrogen-bonded Turntrans-63-19.4176.8-59.974.2-162.800112.7V139 Q143 A144 Y145V139-E141 VanDerWaalsContact C-N 3.29Å; V139-E141 HydrophobicContact CG1-CB 4.34Å; V139-E141 VanDerWaalsContact CG1-OE2 3.26Å; V139-E141 WeakPolarHBondContact CG1-OE2 3.42Å; V139-E141 PolarHBondContact O-N 2.93Å; E141-Q143 PolarHBondContact O-N 3.4Å; E141-A144 WeakPolarHBondContact O-CB 3.49Å; E141-A144 PolarHBondContact O-N 3.04Å; E141-A144 VanDerWaalsContact O-N 3.09Å; E141-Y145 PolarHBondContact O-N 3.32Å
142S89.8Confident88.4Confident8 Ų876.6 Ų76.66%0.05639%0.386CS..Hα-helixtrans-60.5-26.417771.90000113.2R136 V139 P140 Y145 M146R136-S142 WeakPolarHBondContact CA-OG 3.36Å; R136-S142 WeakPolarHBondContact CB-OG 3.3Å; R136-S142 PolarHBondContact O-OG 3.49Å; V139-S142 WeakPolarHBondContact O-CB 3.46Å; V139-S142 PolarHBondContact O-N 3.5Å; V139-S142 VanDerWaalsContact O-N 3.11Å; V139-S142 PolarHBondContact O-OG 2.87Å; P140-S142 PolarHBondContact O-N 3.35Å; P140-S142 VanDerWaalsContact O-N 3.14Å; S142-Y145 PolarHBondContact O-N 3.02Å; S142-M146 WeakPolarHBondContact O-CG 3.2Å; S142-M146 PolarHBondContact O-N 2.75Å; S142-M146 VanDerWaalsContact O-N 3.08Å
143Q89.4Confident88.7Confident92 Ų9278.5 Ų78.543%0.4339%0.386SS..Hα-helixtrans-68.3-41.6175.5-179.452.244.200111.1P140 E141 Y145 M146 D147P140-Q143 PolarHBondContact O-N 2.95Å; E141-Q143 PolarHBondContact O-N 3.4Å; Q143-Y145 VanDerWaalsContact C-N 3.26Å; Q143-Y145 PolarHBondContact O-N 2.7Å; Q143-M146 WeakPolarHBondContact O-CB 3.41Å; Q143-M146 PolarHBondContact O-N 2.97Å; Q143-D147 PolarHBondContact NE2-OD1 3.41Å; Q143-D147 PolarHBondContact NE2-OD2 3.02Å; Q143-D147 PolarHBondContact O-N 3.08Å
144A92.2Very high89.2Confident60 Ų6079.6 Ų79.650%0.49639%0.389SS..Hα-helixtrans-61.2-36175.500000111.9E141 D147 L148E141-A144 WeakPolarHBondContact O-CB 3.49Å; E141-A144 PolarHBondContact O-N 3.04Å; E141-A144 VanDerWaalsContact O-N 3.09Å; A144-D147 PolarHBondContact O-N 2.88Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.1Å
145Y92.1Very high89.7Confident57 Ų5775.1 Ų75.122%0.22438%0.378CS..Hα-helixtrans-64.4-43.1171.5178.1-106.6000112.6K129 L131 E141 S142 Q143 D147 L148 L149 I415 I419K129-Y145 WeakPolarHBondContact O-CE1 3.47Å; K129-Y145 PolarHBondContact O-OH 3.14Å; L131-Y145 HydrophobicContact CD1-CD1 3.66Å; L131-Y145 HydrophobicContact CD1-CE1 4.29Å; L131-Y145 HydrophobicContact CD1-CG 4.43Å; L131-Y145 HydrophobicContact CG-CD1 3.92Å; L131-Y145 HydrophobicContact CG-CE1 4.07Å; E141-Y145 PolarHBondContact O-N 3.32Å; S142-Y145 PolarHBondContact O-N 3.02Å; Q143-Y145 VanDerWaalsContact C-N 3.26Å; Q143-Y145 PolarHBondContact O-N 2.7Å; Y145-D147 VanDerWaalsContact C-N 3.3Å; Y145-D147 PolarHBondContact O-N 3Å; Y145-L148 PolarHBondContact O-N 3.04Å; Y145-L149 HydrophobicContact CD1-CD1 4.12Å; Y145-L149 HydrophobicContact CE1-CD1 3.52Å; Y145-L149 HydrophobicContact CE1-CG 4.09Å; Y145-L149 HydrophobicContact CE2-CG 4.41Å; Y145-L149 PolarHBondContact O-N 3.36Å; Y145-I415 VanDerWaalsContact OH-CG2 3.27Å; Y145-I415 WeakPolarHBondContact OH-CG2 3.35Å; Y145-I419 HydrophobicContact CE1-CD1 4.4Å
146M90.1Very high90.1Very high32 Ų3278.6 Ų78.616%0.15840%0.397CS..Hα-helixtrans-63.8-34.3175.4-68.6-61-58.100112.8I130 S142 Q143 L149 A150I130-M146 HydrophobicContact CG2-CE 4.09Å; I130-M146 HydrophobicContact CG2-SD 4.25Å; S142-M146 WeakPolarHBondContact O-CG 3.2Å; S142-M146 PolarHBondContact O-N 2.75Å; S142-M146 VanDerWaalsContact O-N 3.08Å; Q143-M146 WeakPolarHBondContact O-CB 3.41Å; Q143-M146 PolarHBondContact O-N 2.97Å; M146-L149 PolarHBondContact O-N 2.87Å; M146-L149 HydrophobicContact SD-CD1 4.18Å; M146-A150 PolarHBondContact O-N 2.68Å
147D92.6Very high90.4Very high87 Ų8780.8 Ų80.847%0.46541%0.41SS..Hα-helixtrans-72.4-35.8175.4-68.8-39.9000112.2Q143 A144 Y145 A150 F151Q143-D147 PolarHBondContact NE2-OD1 3.41Å; Q143-D147 PolarHBondContact NE2-OD2 3.02Å; Q143-D147 PolarHBondContact O-N 3.08Å; A144-D147 PolarHBondContact O-N 2.88Å; Y145-D147 VanDerWaalsContact C-N 3.3Å; Y145-D147 PolarHBondContact O-N 3Å; D147-A150 CarbonylContact O-C 3.5Å; D147-A150 WeakPolarHBondContact O-CA 3.22Å; D147-A150 WeakPolarHBondContact O-CB 3.42Å; D147-A150 PolarHBondContact O-N 3.27Å; D147-A150 VanDerWaalsContact O-N 3.12Å; D147-F151 PolarHBondContact O-N 3.41Å
148L94Very high90.9Very high114 Ų11478.1 Ų78.160%0.59740%0.402SS*.Hα-helixtrans-61.4-44.3168.8-73170.4000111.6A144 Y145 A150 F151 E152A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.1Å; Y145-L148 PolarHBondContact O-N 3.04Å; L148-A150 PolarHBondContact O-N 2.96Å; L148-F151 PolarHBondContact O-N 3.4Å; L148-F151 VanDerWaalsContact O-N 3.1Å; L148-E152 WeakPolarHBondContact O-CB 3.15Å; L148-E152 PolarHBondContact O-N 3.1Å
149L91.9Very high91.4Very high9 Ų978.1 Ų78.15%0.04740%0.402CS..Hα-helixtrans-63.8-26.2172.1-68.3177.1000113K129 Y145 M146 E152 R153K129-L149 HydrophobicContact CB-CD1 4.49Å; K129-L149 HydrophobicContact CB-CD2 4.23Å; K129-L149 HydrophobicContact CD-CD2 4.1Å; K129-L149 WeakPolarHBondContact O-CD1 3.49Å; Y145-L149 HydrophobicContact CD1-CD1 4.12Å; Y145-L149 HydrophobicContact CE1-CD1 3.52Å; Y145-L149 HydrophobicContact CE1-CG 4.09Å; Y145-L149 HydrophobicContact CE2-CG 4.41Å; Y145-L149 PolarHBondContact O-N 3.36Å; M146-L149 PolarHBondContact O-N 2.87Å; M146-L149 HydrophobicContact SD-CD1 4.18Å; L149-E152 VanDerWaalsContact CD2-OE2 3.27Å; L149-E152 WeakPolarHBondContact CD2-OE2 3.16Å; L149-R153 WeakPolarHBondContact O-CG 3.47Å; L149-R153 PolarHBondContact O-NE 3.05Å; L149-R153 PolarHBondContact O-NH2 2.99Å
150A91.5Very high91.7Very high26 Ų2680.6 Ų80.622%0.21541%0.411CS..Hα-helixtrans-78.7-28173.100000112.6M146 D147 L148 K154M146-A150 PolarHBondContact O-N 2.68Å; D147-A150 CarbonylContact O-C 3.5Å; D147-A150 WeakPolarHBondContact O-CA 3.22Å; D147-A150 WeakPolarHBondContact O-CB 3.42Å; D147-A150 PolarHBondContact O-N 3.27Å; D147-A150 VanDerWaalsContact O-N 3.12Å; L148-A150 PolarHBondContact O-N 2.96Å; A150-K154 WeakPolarHBondContact O-CD 3.5Å; A150-K154 VanDerWaalsContact O-CG 3.31Å; A150-K154 WeakPolarHBondContact O-CG 3.45Å
151F95.8Very high92.2Very high132 Ų13282.5 Ų82.558%0.57940%0.404SS*.Hα-helixtrans-77.2-47.9173.2-178.6-97.7000112D147 L148 R153 K154 L155D147-F151 PolarHBondContact O-N 3.41Å; L148-F151 PolarHBondContact O-N 3.4Å; L148-F151 VanDerWaalsContact O-N 3.1Å; F151-R153 PolarHBondContact O-N 3.05Å; F151-K154 WeakPolarHBondContact O-CB 3.46Å; F151-K154 PolarHBondContact O-N 3.32Å; F151-L155 HydrophobicContact CE1-CD2 4.16Å; F151-L155 PolarHBondContact O-N 2.86Å
152E92.5Very high92.4Very high57 Ų5780.6 Ų80.627%0.26639%0.394SS..Hα-helixtrans-44.6-58.3172.4178.4-161.7-151.400110.6K129 L148 L149 K154 L155 D156K129-E152 IonicContact NZ-OE1 3.34Å; K129-E152 PolarHBondContact NZ-OE1 3.45Å; L148-E152 WeakPolarHBondContact O-CB 3.15Å; L148-E152 PolarHBondContact O-N 3.1Å; L149-E152 VanDerWaalsContact CD2-OE2 3.27Å; L149-E152 WeakPolarHBondContact CD2-OE2 3.16Å; E152-K154 VanDerWaalsContact C-N 3.29Å; E152-K154 PolarHBondContact O-N 3.4Å; E152-L155 WeakPolarHBondContact O-CB 3.35Å; E152-L155 PolarHBondContact O-N 2.79Å; E152-D156 PolarHBondContact O-N 2.89Å
153R90.9Very high92.6Very high95 Ų9584.2 Ų84.236%0.35841%0.406SS..Hα-helixtrans-56.2-37.4178.2-76.8178-73.8161.3-3114.2M126 L149 F151 Q157M126-R153 VanDerWaalsContact CE-CZ 3.45Å; L149-R153 WeakPolarHBondContact O-CG 3.47Å; L149-R153 PolarHBondContact O-NE 3.05Å; L149-R153 PolarHBondContact O-NH2 2.99Å; F151-R153 PolarHBondContact O-N 3.05Å; R153-Q157 VanDerWaalsContact O-CB 3.28Å; R153-Q157 WeakPolarHBondContact O-CB 3.29Å; R153-Q157 WeakPolarHBondContact O-CG 3.5Å; R153-Q157 PolarHBondContact O-N 3.08Å; R153-Q157 VanDerWaalsContact O-N 3.09Å
154K94.6Very high92.8Very high138 Ų13883.3 Ų83.360%0.641%0.407SS*.Hα-helixtrans-73.1-37.4178-71.6169.5-175.6172.40111.3A150 F151 E152 T158A150-K154 WeakPolarHBondContact O-CD 3.5Å; A150-K154 VanDerWaalsContact O-CG 3.31Å; A150-K154 WeakPolarHBondContact O-CG 3.45Å; F151-K154 WeakPolarHBondContact O-CB 3.46Å; F151-K154 PolarHBondContact O-N 3.32Å; E152-K154 VanDerWaalsContact C-N 3.29Å; E152-K154 PolarHBondContact O-N 3.4Å; K154-T158 WeakPolarHBondContact O-CB 3.36Å; K154-T158 PolarHBondContact O-N 2.77Å; K154-T158 VanDerWaalsContact O-N 3.16Å; K154-T158 PolarHBondContact O-OG1 2.9Å
155L93.8Very high92.8Very high81 Ų8183.6 Ų83.642%0.42440%0.4SS..Hα-helixtrans-65.5-50.7175.9-178.559.7000110.3F151 E152 Q157 T158 I159F151-L155 HydrophobicContact CE1-CD2 4.16Å; F151-L155 PolarHBondContact O-N 2.86Å; E152-L155 WeakPolarHBondContact O-CB 3.35Å; E152-L155 PolarHBondContact O-N 2.79Å; L155-Q157 PolarHBondContact O-N 3.14Å; L155-T158 CarbonylContact O-C 3.56Å; L155-T158 WeakPolarHBondContact O-CA 3.24Å; L155-T158 WeakPolarHBondContact O-CB 3.27Å; L155-T158 PolarHBondContact O-N 3.02Å; L155-I159 HydrophobicContact CD1-CD1 3.99Å; L155-I159 HydrophobicContact CD1-CG1 4.27Å; L155-I159 HydrophobicContact CG-CD1 3.81Å; L155-I159 HydrophobicContact CG-CG1 4.47Å; L155-I159 WeakPolarHBondContact O-CG1 3.31Å; L155-I159 PolarHBondContact O-N 3.25Å
156D91.3Very high92.8Very high85 Ų8582.3 Ų82.346%0.45540%0.397SS..Hα-helixtrans-60.8-44.4178-72.1-17000112.6E152 T158 I159 M160E152-D156 PolarHBondContact O-N 2.89Å; D156-T158 PolarHBondContact O-N 2.96Å; D156-I159 PolarHBondContact O-N 3.07Å; D156-M160 VanDerWaalsContact O-CB 3.29Å; D156-M160 WeakPolarHBondContact O-CB 3Å; D156-M160 PolarHBondContact O-N 3.09Å
157Q92.6Very high92.9Very high119 Ų11986 Ų8656%0.55641%0.414SS*.Hα-helixtrans-62.2-22173.2-75.5172.321.700113.4R153 L155 R161R153-Q157 VanDerWaalsContact O-CB 3.28Å; R153-Q157 WeakPolarHBondContact O-CB 3.29Å; R153-Q157 WeakPolarHBondContact O-CG 3.5Å; R153-Q157 PolarHBondContact O-N 3.08Å; R153-Q157 VanDerWaalsContact O-N 3.09Å; L155-Q157 PolarHBondContact O-N 3.14Å; Q157-R161 WeakPolarHBondContact O-CB 3.46Å; Q157-R161 PolarHBondContact O-NE 3.13Å
158T94.9Very high92.9Very high69 Ų6985.5 Ų85.542%0.42341%0.408SS..Hα-helixtrans-87.7-43.7176.2-57.40000110.5K154 L155 D156 R161 K162K154-T158 WeakPolarHBondContact O-CB 3.36Å; K154-T158 PolarHBondContact O-N 2.77Å; K154-T158 VanDerWaalsContact O-N 3.16Å; K154-T158 PolarHBondContact O-OG1 2.9Å; L155-T158 CarbonylContact O-C 3.56Å; L155-T158 WeakPolarHBondContact O-CA 3.24Å; L155-T158 WeakPolarHBondContact O-CB 3.27Å; L155-T158 PolarHBondContact O-N 3.02Å; D156-T158 PolarHBondContact O-N 2.96Å; T158-R161 PolarHBondContact O-N 3.34Å; T158-K162 WeakPolarHBondContact O-CB 3.27Å; T158-K162 VanDerWaalsContact O-CG 3.31Å; T158-K162 WeakPolarHBondContact O-CG 3.46Å; T158-K162 PolarHBondContact O-N 3.35Å
159I91.4Very high92.7Very high82 Ų8281.7 Ų81.742%0.42139%0.393SS..Hα-helixtrans-61-51.2175.3-68.1170.2000110.5L155 D156 R161 K162 R163L155-I159 HydrophobicContact CD1-CD1 3.99Å; L155-I159 HydrophobicContact CD1-CG1 4.27Å; L155-I159 HydrophobicContact CG-CD1 3.81Å; L155-I159 HydrophobicContact CG-CG1 4.47Å; L155-I159 WeakPolarHBondContact O-CG1 3.31Å; L155-I159 PolarHBondContact O-N 3.25Å; D156-I159 PolarHBondContact O-N 3.07Å; I159-R161 VanDerWaalsContact C-N 3.34Å; I159-R161 PolarHBondContact O-N 3.38Å; I159-K162 PolarHBondContact O-N 2.97Å; I159-R163 WeakPolarHBondContact O-CB 3.48Å; I159-R163 PolarHBondContact O-N 3.22Å
160M91.6Very high92.6Very high115 Ų11583.3 Ų83.357%0.56740%0.402SS*.Hα-helixtrans-63.8-39.8-179.2-176.457.5-175.400111.8D156 R163 V164D156-M160 VanDerWaalsContact O-CB 3.29Å; D156-M160 WeakPolarHBondContact O-CB 3Å; D156-M160 PolarHBondContact O-N 3.09Å; M160-R163 WeakPolarHBondContact O-CB 3.47Å; M160-R163 PolarHBondContact O-N 3.3Å; M160-V164 HydrophobicContact CE-CG2 4.21Å; M160-V164 WeakPolarHBondContact O-CG2 3.32Å; M160-V164 PolarHBondContact O-N 2.95Å
161R94.6Very high92.4Very high144 Ų14489 Ų8954%0.54342%0.422SS..Hα-helixtrans-61.6-47.6173.1-171.7-169.4-35.6-154.23.7111.3Q157 T158 I159 R163 V164 D165Q157-R161 WeakPolarHBondContact O-CB 3.46Å; Q157-R161 PolarHBondContact O-NE 3.13Å; T158-R161 PolarHBondContact O-N 3.34Å; I159-R161 VanDerWaalsContact C-N 3.34Å; I159-R161 PolarHBondContact O-N 3.38Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-R163 PolarHBondContact O-N 3.41Å; R161-V164 PolarHBondContact O-N 3.03Å; R161-V164 VanDerWaalsContact O-N 3.15Å; R161-D165 PolarHBondContact O-N 3.38Å
162K93.8Very high91.8Very high90 Ų9090.2 Ų90.239%0.39142%0.423SS..Hα-helixtrans-64.8-33.7176.9-72.6-73.6157.9-1370112.7T158 I159 D165 I166T158-K162 WeakPolarHBondContact O-CB 3.27Å; T158-K162 VanDerWaalsContact O-CG 3.31Å; T158-K162 WeakPolarHBondContact O-CG 3.46Å; T158-K162 PolarHBondContact O-N 3.35Å; I159-K162 PolarHBondContact O-N 2.97Å; K162-D165 WeakPolarHBondContact CD-OD2 3.41Å; K162-D165 WeakPolarHBondContact CE-OD2 3.45Å; K162-D165 IonicContact NZ-OD2 3.86Å; K162-D165 PolarHBondContact NZ-OD2 3.11Å; K162-D165 PolarHBondContact O-N 2.9Å; K162-I166 WeakPolarHBondContact O-CB 3.31Å; K162-I166 WeakPolarHBondContact O-CD1 3.17Å; K162-I166 WeakPolarHBondContact O-CG1 3.39Å; K162-I166 PolarHBondContact O-N 2.88Å
163R92.9Very high91.2Very high85 Ų8591.7 Ų91.732%0.32144%0.437SS..Hα-helixtrans-60.8-43.6171.9-167.5179.3176.289.65.7110.9I159 M160 R161 Q167 L399I159-R163 WeakPolarHBondContact O-CB 3.48Å; I159-R163 PolarHBondContact O-N 3.22Å; M160-R163 WeakPolarHBondContact O-CB 3.47Å; M160-R163 PolarHBondContact O-N 3.3Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-R163 PolarHBondContact O-N 3.41Å; R163-Q167 WeakPolarHBondContact O-CB 3.35Å; R163-Q167 PolarHBondContact O-N 3.32Å; R163-L399 HydrophobicContact CB-CD2 4.35Å; R163-L399 HydrophobicContact CG-CD2 3.56Å; R163-L399 VanDerWaalsContact CZ-O 3.25Å; R163-L399 PolarHBondContact NH1-O 3.45Å; R163-L399 VanDerWaalsContact NH1-O 3.09Å; R163-L399 PolarHBondContact NH2-O 3.43Å; R163-L399 WeakPolarHBondContact O-CD2 3.41Å
164V93.6Very high90.9Very high72 Ų7289 Ų8944%0.43643%0.429SS..Hα-helixtrans-69.8-43.3174.1175.50000112.1M160 R161 I166 Q167 E168M160-V164 HydrophobicContact CE-CG2 4.21Å; M160-V164 WeakPolarHBondContact O-CG2 3.32Å; M160-V164 PolarHBondContact O-N 2.95Å; R161-V164 PolarHBondContact O-N 3.03Å; R161-V164 VanDerWaalsContact O-N 3.15Å; V164-I166 VanDerWaalsContact C-N 3.29Å; V164-I166 PolarHBondContact O-N 2.73Å; V164-Q167 PolarHBondContact O-N 3.12Å; V164-E168 WeakPolarHBondContact O-CB 3.47Å; V164-E168 PolarHBondContact O-N 2.88Å
165D93.2Very high90.5Very high67 Ų6785.3 Ų85.336%0.35841%0.413SS..Hα-helixtrans-55.1-45.4175.4-64.9-20.5000111R161 K162 E168 A169R161-D165 PolarHBondContact O-N 3.38Å; K162-D165 WeakPolarHBondContact CD-OD2 3.41Å; K162-D165 WeakPolarHBondContact CE-OD2 3.45Å; K162-D165 IonicContact NZ-OD2 3.86Å; K162-D165 PolarHBondContact NZ-OD2 3.11Å; K162-D165 PolarHBondContact O-N 2.9Å; D165-E168 PolarHBondContact O-N 2.91Å; D165-A169 WeakPolarHBondContact O-CB 3.3Å; D165-A169 PolarHBondContact O-N 3.25Å
166I92.2Very high90.3Very high29 Ų2983.5 Ų83.515%0.14940%0.402CS..Hα-helixtrans-68.4-41.9178.2-69.1164.7000110.9K162 V164 E168 A169 L170 M395 F398 L399K162-I166 WeakPolarHBondContact O-CB 3.31Å; K162-I166 WeakPolarHBondContact O-CD1 3.17Å; K162-I166 WeakPolarHBondContact O-CG1 3.39Å; K162-I166 PolarHBondContact O-N 2.88Å; V164-I166 VanDerWaalsContact C-N 3.29Å; V164-I166 PolarHBondContact O-N 2.73Å; I166-E168 VanDerWaalsContact C-N 3.31Å; I166-E168 PolarHBondContact O-N 2.77Å; I166-A169 PolarHBondContact O-N 3.45Å; I166-L170 HydrophobicContact CG2-CD1 4.16Å; I166-L170 HydrophobicContact CG2-CG 4.42Å; I166-L170 WeakPolarHBondContact O-CB 3.36Å; I166-L170 WeakPolarHBondContact O-CG 3.25Å; I166-L170 PolarHBondContact O-N 3Å; I166-M395 HydrophobicContact CG1-CE 4.47Å; I166-M395 HydrophobicContact CG2-CB 3.67Å; I166-M395 HydrophobicContact CG2-CG 3.79Å; I166-M395 HydrophobicContact CG2-SD 4.1Å; I166-F398 HydrophobicContact CD1-CD1 3.61Å; I166-F398 HydrophobicContact CD1-CE1 3.68Å; I166-L399 HydrophobicContact CB-CD2 4.21Å; I166-L399 HydrophobicContact CG2-CD1 4.14Å; I166-L399 HydrophobicContact CG2-CD2 3.97Å; I166-L399 HydrophobicContact CG2-CG 3.94Å
167Q92.1Very high90.2Very high111 Ų11186 Ų8652%0.51941%0.409SS..Hα-helixtrans-64.4-35.1177.1-170.9179.4500112.3R163 V164 L399R163-Q167 WeakPolarHBondContact O-CB 3.35Å; R163-Q167 PolarHBondContact O-N 3.32Å; V164-Q167 PolarHBondContact O-N 3.12Å; Q167-L399 HydrophobicContact CB-CD1 4Å; Q167-L399 HydrophobicContact CG-CD1 4.39Å
168E92.2Very high90.1Very high75 Ų7583.5 Ų83.535%0.3539%0.394SS..Hα-helixtrans-72.6-39.8172.9175.656.1-150.300112V164 D165 I166 L170 K171 R172V164-E168 WeakPolarHBondContact O-CB 3.47Å; V164-E168 PolarHBondContact O-N 2.88Å; D165-E168 PolarHBondContact O-N 2.91Å; I166-E168 VanDerWaalsContact C-N 3.31Å; I166-E168 PolarHBondContact O-N 2.77Å; E168-L170 PolarHBondContact O-N 2.8Å; E168-K171 WeakPolarHBondContact O-CB 3.44Å; E168-K171 PolarHBondContact O-N 3.5Å; E168-K171 WeakPolarHBondContact OE2-CD 3.41Å; E168-K171 WeakPolarHBondContact OE2-CE 3.13Å; E168-K171 IonicContact OE2-NZ 2.77Å; E168-K171 PolarHBondContact OE2-NZ 3.21Å; E168-R172 IonicContact OE1-CZ 3.1Å; E168-R172 IonicContact OE1-NE 2.66Å; E168-R172 IonicContact OE1-NH2 3.12Å; E168-R172 PolarHBondContact OE1-NH2 2.88Å
169A89.8Confident90Very high34 Ų3484.1 Ų84.128%0.28139%0.391SS..Hα-helixtrans-60.7-43.7174.500000112.1D165 I166 K171 R172D165-A169 WeakPolarHBondContact O-CB 3.3Å; D165-A169 PolarHBondContact O-N 3.25Å; I166-A169 PolarHBondContact O-N 3.45Å; A169-K171 PolarHBondContact O-N 2.94Å; A169-R172 WeakPolarHBondContact O-CB 3.39Å; A169-R172 PolarHBondContact O-N 2.9Å
170L89.4Confident90.2Very high44 Ų4480.2 Ų80.223%0.2337%0.371CS..THydrogen-bonded Turntrans-65.6-16.7179.6-76.5176.5000114.7I166 E168 R172 M174 K392 M395 L399I166-L170 HydrophobicContact CG2-CD1 4.16Å; I166-L170 HydrophobicContact CG2-CG 4.42Å; I166-L170 WeakPolarHBondContact O-CB 3.36Å; I166-L170 WeakPolarHBondContact O-CG 3.25Å; I166-L170 PolarHBondContact O-N 3Å; E168-L170 PolarHBondContact O-N 2.8Å; L170-R172 PolarHBondContact O-N 3.1Å; L170-M174 HydrophobicContact CD2-SD 4.34Å; L170-K392 HydrophobicContact CD2-CB 4.37Å; L170-K392 HydrophobicContact CD2-CG 3.78Å; L170-M395 HydrophobicContact CD1-CB 4.04Å; L170-M395 HydrophobicContact CD2-CB 3.9Å; L170-M395 HydrophobicContact CD2-SD 4.29Å; L170-M395 HydrophobicContact CG-CB 4.12Å; L170-M395 HydrophobicContact CG-SD 4.44Å; L170-L399 HydrophobicContact CD1-CD1 3.66Å; L170-L399 HydrophobicContact CD1-CG 4.49Å
171K86.3Confident90.3Very high144 Ų14478.6 Ų78.663%0.62636%0.359SS*.THydrogen-bonded Turntrans-69.7-18.7170.6-63.3173.9-164165.70112.5E168 A169E168-K171 WeakPolarHBondContact O-CB 3.44Å; E168-K171 PolarHBondContact O-N 3.5Å; E168-K171 WeakPolarHBondContact OE2-CD 3.41Å; E168-K171 WeakPolarHBondContact OE2-CE 3.13Å; E168-K171 IonicContact OE2-NZ 2.77Å; E168-K171 PolarHBondContact OE2-NZ 3.21Å; A169-K171 PolarHBondContact O-N 2.94Å
172R84.5Confident90.4Very high159 Ų15971.8 Ų71.860%0.633%0.333SS*.SBendtrans-95.2135-177.8-53.3-177.1-171.6-161.2-1108.8E168 A169 L170 M174E168-R172 IonicContact OE1-CZ 3.1Å; E168-R172 IonicContact OE1-NE 2.66Å; E168-R172 IonicContact OE1-NH2 3.12Å; E168-R172 PolarHBondContact OE1-NH2 2.88Å; A169-R172 WeakPolarHBondContact O-CB 3.39Å; A169-R172 PolarHBondContact O-N 2.9Å; L170-R172 PolarHBondContact O-N 3.1Å; R172-M174 PolarHBondContact O-N 2.82Å
173P79.8Confident90.4Very high87 Ų8770.8 Ų70.857%0.56533%0.327SS*.  trans-60105.7177.2-25.134.7000112K175 P283P173-K175 HydrophobicContact CB-CG 4.41Å; P173-K175 PolarHBondContact O-N 3.01Å; P173-P283 HydrophobicContact CG-CG 4Å
174M84.8Confident90.5Very high38 Ų3866.7 Ų66.719%0.18731%0.312CS..  trans-84.691.3173.4-61.7-177.671.500109.1L170 R172 D389 L391 M395L170-M174 HydrophobicContact CD2-SD 4.34Å; R172-M174 PolarHBondContact O-N 2.82Å; M174-D389 HydrophobicContact CB-CB 3.95Å; M174-D389 PolarHBondContact O-N 2.86Å; M174-L391 HydrophobicContact CE-CB 4.23Å; M174-L391 HydrophobicContact CE-CD2 3.86Å; M174-L391 HydrophobicContact CE-CG 4.05Å; M174-M395 HydrophobicContact CE-SD 4.2Å; M174-M395 HydrophobicContact SD-SD 4Å
175K86.4Confident90.4Very high62 Ų6264.3 Ų64.327%0.2730%0.299SS..EExtended strand (participates in β ladder)trans-116.4145.7177.2-56.8-61.4-166.9-177.70110.9P173 Q282 E386 V387 E388P173-K175 HydrophobicContact CB-CG 4.41Å; P173-K175 PolarHBondContact O-N 3.01Å; K175-Q282 WeakPolarHBondContact CE-O 3.31Å; K175-E386 HydrophobicContact CB-CB 4.24Å; K175-V387 CarbonylContact C-O 3.14Å; K175-V387 VanDerWaalsContact CA-O 3.25Å; K175-V387 WeakPolarHBondContact CA-O 3.49Å; K175-E388 IonicContact NZ-OE1 2.68Å; K175-E388 PolarHBondContact NZ-OE1 2.72Å
176Q88.4Confident90.3Very high43 Ų4361.4 Ų61.420%0.20128%0.283CS..EExtended strand (participates in β ladder)trans-120.5144.4171.754.2173.9-14.500109.7V387 E388Q176-V387 HydrophobicContact CG-CB 4.28Å; Q176-V387 PolarHBondContact N-O 2.94Å; Q176-V387 PolarHBondContact O-N 3.23Å; Q176-E388 PolarHBondContact NE2-O 3.22Å
177K89.6Confident90.2Very high138 Ų13862.5 Ų62.560%0.629%0.291SS*.EExtended strand (participates in β ladder)trans-78.8143.9172.6-66.3-167.3174.6-166.90111V385 E386K177-V385 WeakPolarHBondContact CA-O 3.47Å; K177-E386 HydrophobicContact CG-CG 4.26Å
178R90.9Very high90Very high65 Ų6558.4 Ų58.425%0.24527%0.271CS..EExtended strand (participates in β ladder)trans-143.4157.6172.1-78.8-62.9-176.7-68.6-5.7109.9L213 D215 D384 V385 V387R178-L213 HydrophobicContact CB-CD1 3.77Å; R178-L213 HydrophobicContact CB-CG 4.44Å; R178-D215 PolarHBondContact NE-O 2.88Å; R178-D384 WeakPolarHBondContact O-CA 3.33Å; R178-V385 PolarHBondContact N-O 2.96Å; R178-V385 PolarHBondContact O-N 3.05Å; R178-V387 HydrophobicContact CB-CG2 3.99Å; R178-V387 HydrophobicContact CG-CG2 4.07Å
179K93.4Very high89.8Confident82 Ų8257.8 Ų57.836%0.35727%0.271SS..EExtended strand (participates in β ladder)trans-84.5122.6171.3-65.4-56.8-168.6178.40110.1L214 D382 I383 D384K179-L214 HydrophobicContact CB-CB 4.28Å; K179-L214 HydrophobicContact CB-CD1 3.94Å; K179-L214 HydrophobicContact CB-CG 4.28Å; K179-L214 WeakPolarHBondContact O-CB 3.41Å; K179-L214 PolarHBondContact O-N 3.03Å; K179-D382 HydrophobicContact CD-CB 4.27Å; K179-I383 CarbonylContact C-O 3.54Å; K179-I383 WeakPolarHBondContact CA-O 3.24Å; K179-D384 WeakPolarHBondContact CD-OD1 3.4Å; K179-D384 VanDerWaalsContact CE-OD1 3.28Å; K179-D384 WeakPolarHBondContact CE-OD1 3.25Å; K179-D384 IonicContact NZ-OD1 2.65Å; K179-D384 PolarHBondContact NZ-OD1 3.1Å; K179-D384 IonicContact NZ-OD2 2.65Å; K179-D384 PolarHBondContact NZ-OD2 2.7Å
180L94.2Very high89.5Confident0 Ų060.2 Ų60.20%028%0.283CS..EExtended strand (participates in β ladder)trans-94.7114.1163.6178.867.2000107.2L182 L213 F224 F227 F228 I383 V385L180-L182 HydrophobicContact CD2-CD1 4.2Å; L180-L182 HydrophobicContact CG-CD1 4.05Å; L180-L213 HydrophobicContact CB-CD1 4.5Å; L180-F224 HydrophobicContact CD1-CD2 4.42Å; L180-F224 HydrophobicContact CD2-CD2 4.11Å; L180-F224 HydrophobicContact CD2-CE2 4.18Å; L180-F227 HydrophobicContact CD1-CD2 4.11Å; L180-F227 HydrophobicContact CD1-CE2 4.15Å; L180-F227 HydrophobicContact CD2-CB 4.02Å; L180-F227 HydrophobicContact CD2-CD2 3.92Å; L180-F227 HydrophobicContact CD2-CG 4.04Å; L180-F228 HydrophobicContact CD2-CE2 3.66Å; L180-F228 HydrophobicContact CD2-CZ 3.7Å; L180-I383 PolarHBondContact N-O 2.99Å; L180-I383 PolarHBondContact O-N 3.41Å; L180-V385 HydrophobicContact CB-CB 4.47Å; L180-V385 HydrophobicContact CB-CG1 3.74Å; L180-V385 HydrophobicContact CB-CG2 3.84Å; L180-V385 HydrophobicContact CD2-CG1 3.89Å; L180-V385 HydrophobicContact CG-CG1 4.48Å
181R94.9Very high89.1Confident82 Ų8260.8 Ų60.831%0.30930%0.295SS..EExtended strand (participates in β ladder)trans-86.2122.9174.3-176.4160.4-69174.81.8109.6Y183 G211 K212 L214 Y381 D382R181-Y183 HydrophobicContact CB-CE2 4.32Å; R181-Y183 WeakPolarHBondContact CD-OH 3.4Å; R181-Y183 HydrophobicContact CG-CE1 4.17Å; R181-Y183 HydrophobicContact CG-CE2 3.93Å; R181-G211 CarbonylContact O-C 3.54Å; R181-G211 WeakPolarHBondContact O-CA 3.32Å; R181-K212 PolarHBondContact N-O 2.94Å; R181-K212 PolarHBondContact O-N 3.15Å; R181-L214 HydrophobicContact CB-CD1 4.23Å; R181-L214 HydrophobicContact CB-CD2 3.88Å; R181-L214 HydrophobicContact CB-CG 4.05Å; R181-Y381 CarbonylContact C-O 3.57Å; R181-Y381 WeakPolarHBondContact CA-O 3.34Å; R181-D382 WeakPolarHBondContact CA-OD1 3.46Å; R181-D382 VanDerWaalsContact CB-OD1 3.27Å; R181-D382 WeakPolarHBondContact CB-OD1 3.34Å; R181-D382 WeakPolarHBondContact CG-OD1 3.28Å; R181-D382 IonicContact CZ-OD1 2.7Å; R181-D382 IonicContact CZ-OD2 2.94Å; R181-D382 IonicContact NE-OD1 2.77Å; R181-D382 PolarHBondContact NE-OD1 3.37Å; R181-D382 IonicContact NE-OD2 3.05Å; R181-D382 IonicContact NH2-OD1 3.75Å; R181-D382 PolarHBondContact NH2-OD1 3.02Å; R181-D382 IonicContact NH2-OD2 3.26Å; R181-D382 PolarHBondContact NH2-OD2 3.24Å
182L95.1Very high88.6Confident0 Ų061.1 Ų61.10%030%0.296CS..EExtended strand (participates in β ladder)trans-94.3146.5170.7-74.979.1000109.6L180 E210 F224 L277 C380 Y381 I383L180-L182 HydrophobicContact CD2-CD1 4.2Å; L180-L182 HydrophobicContact CG-CD1 4.05Å; L182-E210 CarbonylContact C-O 3.59Å; L182-E210 WeakPolarHBondContact CA-O 3.18Å; L182-F224 HydrophobicContact CD1-CE2 4.22Å; L182-F224 HydrophobicContact CD2-CE2 3.81Å; L182-F224 HydrophobicContact CD2-CZ 3.82Å; L182-F224 HydrophobicContact CG-CE2 3.67Å; L182-F224 HydrophobicContact CG-CZ 4.12Å; L182-L277 HydrophobicContact CD2-CD1 3.49Å; L182-L277 VanDerWaalsContact CD2-CD1 3.49Å; L182-L277 HydrophobicContact CD2-CD2 4.43Å; L182-C380 WeakPolarHBondContact O-CA 3.33Å; L182-Y381 PolarHBondContact N-O 3.15Å; L182-Y381 PolarHBondContact O-N 3.06Å; L182-Y381 VanDerWaalsContact O-N 3.07Å; L182-I383 HydrophobicContact CD1-CB 4.25Å; L182-I383 HydrophobicContact CD1-CD1 3.56Å; L182-I383 HydrophobicContact CD1-CG1 3.88Å; L182-I383 HydrophobicContact CD2-CD1 4.14Å
183Y94.9Very high87.5Confident69 Ų6959.1 Ų59.127%0.27130%0.304SS..EExtended strand (participates in β ladder)trans-124116.4176-61.5-83.7000107.5R181 E210 K212 T378R181-Y183 HydrophobicContact CB-CE2 4.32Å; R181-Y183 WeakPolarHBondContact CD-OH 3.4Å; R181-Y183 HydrophobicContact CG-CE1 4.17Å; R181-Y183 HydrophobicContact CG-CE2 3.93Å; Y183-E210 PolarHBondContact N-O 3.41Å; Y183-E210 PolarHBondContact O-N 3.32Å; Y183-K212 HydrophobicContact CE2-CB 4.11Å; Y183-T378 HydrophobicContact CD1-CG2 3.89Å; Y183-T378 HydrophobicContact CG-CG2 4.33Å
184I94.1Very high86.5Confident0 Ų061.8 Ų61.80%031%0.313CS..EExtended strand (participates in β ladder)trans-112.5118.8175.6-57.5175.7000107.1L207 R208 V209 L275 I364 T378 A379 Y381I184-L207 HydrophobicContact CG2-CD1 3.77Å; I184-R208 WeakPolarHBondContact CA-O 3.36Å; I184-V209 HydrophobicContact CG1-CG1 4.48Å; I184-L275 HydrophobicContact CD1-CD1 4.15Å; I184-L275 HydrophobicContact CD1-CD2 3.8Å; I184-L275 HydrophobicContact CG1-CD2 4.37Å; I184-I364 HydrophobicContact CD1-CD1 4.37Å; I184-I364 HydrophobicContact CD1-CG2 3.9Å; I184-T378 CarbonylContact O-C 3.47Å; I184-T378 WeakPolarHBondContact O-CA 3.46Å; I184-A379 HydrophobicContact CB-CB 4.44Å; I184-A379 PolarHBondContact N-O 3.47Å; I184-A379 PolarHBondContact O-N 3.35Å; I184-Y381 HydrophobicContact CD1-CD2 4.06Å; I184-Y381 HydrophobicContact CD1-CE2 3.9Å
185S92.1Very high85Confident22 Ų2262.6 Ų62.615%0.15433%0.326CS..EExtended strand (participates in β ladder)trans-135.3144.5177.153.70000111.8R208S185-R208 PolarHBondContact N-O 2.86Å; S185-R208 PolarHBondContact O-N 2.89Å
186N91.1Very high83.5Confident6 Ų667.3 Ų67.33%0.03235%0.354CS..EExtended strand (participates in β ladder)trans-114.7132.8176.958.6-59.6000110.4E206 I368 S369N186-E206 CarbonylContact C-O 3.57Å; N186-E206 VanDerWaalsContact CA-O 3.31Å; N186-E206 WeakPolarHBondContact CA-O 3.38Å; N186-I368 HydrophobicContact CB-CG2 4.07Å; N186-S369 PolarHBondContact ND2-N 2.97Å; N186-S369 PolarHBondContact ND2-O 3.22Å
187T89.4Confident81.8Confident51 Ų5172.8 Ų72.831%0.31339%0.385SS..EExtended strand (participates in β ladder)trans-119.2126.4172.4-53.10000108.4W205 E206T187-W205 CarbonylContact O-C 3.56Å; T187-W205 WeakPolarHBondContact O-CA 3.47Å; T187-E206 PolarHBondContact N-O 2.84Å; T187-E206 PolarHBondContact O-N 3.43Å
188F89.2Confident80.1Confident25 Ų2571.8 Ų71.811%0.1140%0.395CS..EExtended strand (participates in β ladder)trans-106.6125.5176.3171.5-109.2000111.2P190 A203 W205 G267 V370 Q375F188-P190 HydrophobicContact CE1-CB 3.93Å; F188-P190 HydrophobicContact CZ-CB 4.36Å; F188-P190 WeakPolarHBondContact O-CD 3.22Å; F188-A203 HydrophobicContact CE2-CB 4.15Å; F188-A203 HydrophobicContact CZ-CB 4.18Å; F188-W205 HydrophobicContact CD2-CB 4.46Å; F188-G267 WeakPolarHBondContact CE2-O 3.47Å; F188-V370 HydrophobicContact CB-CB 4.45Å; F188-V370 HydrophobicContact CD1-CB 3.9Å; F188-V370 HydrophobicContact CD1-CG1 4.5Å; F188-V370 WeakPolarHBondContact CD1-O 3.48Å; F188-V370 HydrophobicContact CD2-CB 4.02Å; F188-V370 HydrophobicContact CD2-CG1 3.71Å; F188-V370 HydrophobicContact CE1-CB 4.07Å; F188-V370 HydrophobicContact CE2-CB 4.21Å; F188-V370 HydrophobicContact CE2-CG1 3.88Å; F188-V370 HydrophobicContact CG-CB 3.85Å; F188-V370 HydrophobicContact CG-CG1 4.03Å; F188-V370 HydrophobicContact CZ-CB 4.22Å; F188-V370 HydrophobicContact CZ-CG1 4.33Å; F188-Q375 PolarHBondContact O-NE2 3.26Å
189N86.6Confident78.2Confident63 Ų6376 Ų7634%0.33742%0.423SS..EExtended strand (participates in β ladder)trans-103105.7177-52.9-86.1000108A203 S204N189-A203 WeakPolarHBondContact O-CA 3.44Å; N189-S204 WeakPolarHBondContact CB-O 3.5Å; N189-S204 PolarHBondContact N-O 2.95Å; N189-S204 PolarHBondContact ND2-O 2.79Å; N189-S204 VanDerWaalsContact ND2-O 3.13Å; N189-S204 PolarHBondContact O-N 3.16Å
190P83.8Confident76.5Confident84 Ų8474.6 Ų74.655%0.54543%0.431SS..PPolyproline II helixtrans-66.7158.4177.229.1-35.3000111.1F188F188-P190 HydrophobicContact CE1-CB 3.93Å; F188-P190 HydrophobicContact CZ-CB 4.36Å; F188-P190 WeakPolarHBondContact O-CD 3.22Å
191A81Confident75.3Confident57 Ų5777 Ų7747%0.47145%0.448SS..PPolyproline II helixtrans-64.6138172.100000111.1S201 A203A191-S201 WeakPolarHBondContact CA-O 3.39Å; A191-S201 WeakPolarHBondContact CB-O 3.31Å; A191-A203 HydrophobicContact CB-CB 4.19Å
192K77Confident74.7Confident151 Ų15178.9 Ų78.966%0.65746%0.463SS*.PPolyproline II helixtrans-86.8129.7168.5-67.9-175.5176.6-176.60109.1
193P62Low74.3Confident117 Ų11779.6 Ų79.676%0.7647%0.469SS*.SBendtrans-73.2-37.6176.928.4-32.4000112.1A195P193-A195 PolarHBondContact O-N 3.42Å
194D58.3Low74Confident143 Ų14376.9 Ų76.977%0.76546%0.46SS*.  trans-96.395.9-173.6-46.2-57.3000110.6
195A53.2Low73.9Confident55 Ų5577 Ų7746%0.45546%0.461SS..  trans-140.577.3172.900000109.1P193 D197P193-A195 PolarHBondContact O-N 3.42Å; A195-D197 PolarHBondContact O-N 2.66Å
196D54.8Low73.9Confident161 Ų16177.2 Ų77.286%0.86146%0.459SS*.  trans-62.3128.2171.9-72.6-44000110.3
197D52.4Low74Confident157 Ų15777 Ų7784%0.8446%0.458SS*.SBendtrans55.8111.6178.9-72-36.5000118.8A195A195-D197 PolarHBondContact O-N 2.66Å
198S53.4Low74.2Confident117 Ų11777.9 Ų77.982%0.81846%0.456SS*.SBendtrans74.2110169.7-59.20000118.4
199D51.4Low74.5Confident154 Ų15476.7 Ų76.782%0.82445%0.451SS*.  trans69.493.6169.7-148.630.6000116.2
200G57.2Low74.8Confident52 Ų5277.4 Ų77.454%0.53645%0.452SS..  trans-65.2134.6-178.200000112.7I202G200-I202 PolarHBondContact O-N 3.43Å
201S68.5Low75.3Confident50 Ų5073.8 Ų73.835%0.3543%0.43SS..  trans-67.985.4-174.6175.80000113.2A191 A203A191-S201 WeakPolarHBondContact CA-O 3.39Å; A191-S201 WeakPolarHBondContact CB-O 3.31Å; S201-A203 PolarHBondContact O-N 2.99Å
202I82.4Confident75.8Confident122 Ų12277.5 Ų77.563%0.62644%0.435SS*.  trans-60.2132.5177.8-54.9178000111.2G200 S204 P266G200-I202 PolarHBondContact O-N 3.43Å; I202-S204 PolarHBondContact O-N 3.26Å; I202-S204 PolarHBondContact O-OG 2.99Å; I202-P266 HydrophobicContact CG2-CB 3.84Å
203A87Confident76.5Confident16 Ų1671.1 Ų71.113%0.13241%0.408CS..  trans-57.4131.9174.800000111F188 N189 A191 S201 P266 G267 D268F188-A203 HydrophobicContact CE2-CB 4.15Å; F188-A203 HydrophobicContact CZ-CB 4.18Å; N189-A203 WeakPolarHBondContact O-CA 3.44Å; A191-A203 HydrophobicContact CB-CB 4.19Å; S201-A203 PolarHBondContact O-N 2.99Å; A203-P266 WeakPolarHBondContact O-CA 3.47Å; A203-G267 PolarHBondContact O-N 2.81Å; A203-D268 HydrophobicContact CB-CB 4.1Å
204S90.2Very high77.8Confident12 Ų1267.4 Ų67.48%0.08438%0.382CS..EExtended strand (participates in β ladder)trans-152.6137.1-171.948.50000113.9N189 I202 K264 R265N189-S204 WeakPolarHBondContact CB-O 3.5Å; N189-S204 PolarHBondContact N-O 2.95Å; N189-S204 PolarHBondContact ND2-O 2.79Å; N189-S204 VanDerWaalsContact ND2-O 3.13Å; N189-S204 PolarHBondContact O-N 3.16Å; I202-S204 PolarHBondContact O-N 3.26Å; I202-S204 PolarHBondContact O-OG 2.99Å; S204-K264 WeakPolarHBondContact OG-CE 3.35Å; S204-K264 PolarHBondContact OG-NZ 2.66Å; S204-R265 VanDerWaalsContact CA-O 3.31Å; S204-R265 WeakPolarHBondContact CA-O 3.49Å; S204-R265 VanDerWaalsContact CB-O 3.24Å; S204-R265 WeakPolarHBondContact CB-O 3.3Å
205W91.4Very high78.7Confident1 Ų167.3 Ų67.30%0.00438%0.381CS..EExtended strand (participates in β ladder)trans-96.9150.8172.756.7-102.3000111.8T187 F188 L207 L235 Y240 V263 K264 R265 I368T187-W205 CarbonylContact O-C 3.56Å; T187-W205 WeakPolarHBondContact O-CA 3.47Å; F188-W205 HydrophobicContact CD2-CB 4.46Å; W205-L207 HydrophobicContact CE3-CB 4.17Å; W205-L207 HydrophobicContact CZ3-CB 3.87Å; W205-L235 HydrophobicContact CH2-CD1 3.84Å; W205-L235 HydrophobicContact CH2-CD2 3.78Å; W205-L235 HydrophobicContact CH2-CG 4.49Å; W205-L235 HydrophobicContact CZ2-CD1 3.95Å; W205-L235 HydrophobicContact CZ2-CD2 4.14Å; W205-Y240 HydrophobicContact CZ2-CE2 4.18Å; W205-Y240 AromaticContact NE1-CZ 3.95Å; W205-Y240 PolarHBondContact NE1-OH 3.19Å; W205-V263 HydrophobicContact CH2-CG1 4.35Å; W205-V263 HydrophobicContact CZ3-CG1 4.15Å; W205-K264 WeakPolarHBondContact O-CA 3.37Å; W205-K264 WeakPolarHBondContact O-CG 3.5Å; W205-R265 HydrophobicContact CD2-CB 4.42Å; W205-R265 HydrophobicContact CH2-CB 3.91Å; W205-R265 HydrophobicContact CH2-CG 3.74Å; W205-R265 HydrophobicContact CZ2-CB 3.59Å; W205-R265 HydrophobicContact CZ2-CG 3.83Å; W205-R265 HydrophobicContact CZ3-CB 4.43Å; W205-R265 HydrophobicContact CZ3-CG 4.41Å; W205-R265 PolarHBondContact N-O 3.47Å; W205-R265 VanDerWaalsContact N-O 3.11Å; W205-R265 PolarHBondContact O-N 2.77Å; W205-R265 VanDerWaalsContact O-N 3.14Å; W205-I368 HydrophobicContact CB-CG2 3.77Å; W205-I368 HydrophobicContact CD2-CD1 4.01Å; W205-I368 HydrophobicContact CD2-CG2 3.91Å; W205-I368 HydrophobicContact CE3-CD1 3.78Å; W205-I368 HydrophobicContact CE3-CG2 4.25Å; W205-I368 HydrophobicContact CG-CG2 3.73Å; W205-I368 HydrophobicContact CH2-CD1 3.75Å; W205-I368 HydrophobicContact CZ2-CD1 3.96Å; W205-I368 HydrophobicContact CZ3-CD1 3.67Å
206E91.9Very high79.4Confident28 Ų2867.1 Ų67.113%0.13137%0.373CS..EExtended strand (participates in β ladder)trans-116.5124.5167.6172.4177.1136.800108.7N186 T187 R208 Q262 V263N186-E206 CarbonylContact C-O 3.57Å; N186-E206 VanDerWaalsContact CA-O 3.31Å; N186-E206 WeakPolarHBondContact CA-O 3.38Å; T187-E206 PolarHBondContact N-O 2.84Å; T187-E206 PolarHBondContact O-N 3.43Å; E206-R208 IonicContact OE1-CZ 2.7Å; E206-R208 IonicContact OE1-NE 3.02Å; E206-R208 PolarHBondContact OE1-NE 3.38Å; E206-R208 IonicContact OE1-NH2 3.84Å; E206-R208 PolarHBondContact OE1-NH2 3.16Å; E206-Q262 VanDerWaalsContact CD-CG 3.5Å; E206-Q262 HydrophobicContact CG-CG 3.76Å; E206-Q262 WeakPolarHBondContact OE1-CG 3.42Å; E206-Q262 PolarHBondContact OE1-NE2 3.48Å; E206-Q262 PolarHBondContact OE2-NE2 3.5Å; E206-V263 CarbonylContact C-O 3.55Å; E206-V263 WeakPolarHBondContact CA-O 3.39Å
207L93Very high79.6Confident1 Ų164 Ų641%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-100.6127.8166.4179.965000109I184 W205 V209 I233 Q262 V263 I368I184-L207 HydrophobicContact CG2-CD1 3.77Å; W205-L207 HydrophobicContact CE3-CB 4.17Å; W205-L207 HydrophobicContact CZ3-CB 3.87Å; L207-V209 HydrophobicContact CG-CG2 4.26Å; L207-I233 HydrophobicContact CD2-CD1 4.25Å; L207-I233 HydrophobicContact CD2-CG2 4.13Å; L207-Q262 WeakPolarHBondContact O-CA 3.25Å; L207-V263 PolarHBondContact N-O 3.12Å; L207-V263 PolarHBondContact O-N 2.89Å; L207-I368 HydrophobicContact CB-CD1 4.24Å; L207-I368 HydrophobicContact CD1-CG1 4.37Å; L207-I368 HydrophobicContact CD2-CD1 4.22Å
208R93.8Very high80.1Confident69 Ų6958.4 Ų58.426%0.2634%0.341SS..EExtended strand (participates in β ladder)trans-118.7125.4-179.3176.2175.7-68.5-92-8.4109.5I184 S185 E206 E210I184-R208 WeakPolarHBondContact CA-O 3.36Å; S185-R208 PolarHBondContact N-O 2.86Å; S185-R208 PolarHBondContact O-N 2.89Å; E206-R208 IonicContact OE1-CZ 2.7Å; E206-R208 IonicContact OE1-NE 3.02Å; E206-R208 PolarHBondContact OE1-NE 3.38Å; E206-R208 IonicContact OE1-NH2 3.84Å; E206-R208 PolarHBondContact OE1-NH2 3.16Å; R208-E210 VanDerWaalsContact CD-OE1 3.3Å; R208-E210 WeakPolarHBondContact CD-OE1 3.39Å; R208-E210 HydrophobicContact CG-CG 3.97Å; R208-E210 IonicContact CZ-OE1 3.98Å; R208-E210 IonicContact NE-OE1 3.06Å; R208-E210 IonicContact NH1-OE1 2.72Å; R208-E210 PolarHBondContact NH1-OE1 3.04Å
209V94.9Very high80.4Confident1 Ų163 Ų631%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-124.295.3-178.9-174.40000107.9I184 L207 F224 L231 I233 G260 F261 L275I184-V209 HydrophobicContact CG1-CG1 4.48Å; L207-V209 HydrophobicContact CG-CG2 4.26Å; V209-F224 HydrophobicContact CG1-CE1 4.29Å; V209-F224 HydrophobicContact CG1-CZ 4.24Å; V209-L231 HydrophobicContact CG1-CD1 4.38Å; V209-I233 HydrophobicContact CG2-CD1 4.47Å; V209-G260 CarbonylContact O-C 3.35Å; V209-G260 WeakPolarHBondContact O-CA 3.46Å; V209-F261 PolarHBondContact N-O 2.84Å; V209-F261 PolarHBondContact O-N 3.44Å; V209-L275 HydrophobicContact CB-CD2 4.49Å; V209-L275 HydrophobicContact CG1-CD2 4.06Å; V209-L275 HydrophobicContact CG2-CD2 3.55Å
210E94.3Very high81.1Confident77 Ų7763 Ų6336%0.3635%0.345SS..EExtended strand (participates in β ladder)trans-108.2161.6179.4-72177.4-170.800110.7L182 Y183 R208 D259L182-E210 CarbonylContact C-O 3.59Å; L182-E210 WeakPolarHBondContact CA-O 3.18Å; Y183-E210 PolarHBondContact N-O 3.41Å; Y183-E210 PolarHBondContact O-N 3.32Å; R208-E210 VanDerWaalsContact CD-OE1 3.3Å; R208-E210 WeakPolarHBondContact CD-OE1 3.39Å; R208-E210 HydrophobicContact CG-CG 3.97Å; R208-E210 IonicContact CZ-OE1 3.98Å; R208-E210 IonicContact NE-OE1 3.06Å; R208-E210 IonicContact NH1-OE1 2.72Å; R208-E210 PolarHBondContact NH1-OE1 3.04Å; E210-D259 WeakPolarHBondContact CA-O 3.35Å
211G93.3Very high82.1Confident8 Ų869.4 Ų69.48%0.08236%0.358CS..EExtended strand (participates in β ladder)trans-155.8152.7172.900000115.2R181 F224 D259R181-G211 CarbonylContact O-C 3.54Å; R181-G211 WeakPolarHBondContact O-CA 3.32Å; G211-F224 VanDerWaalsContact CA-CD2 3.44Å; G211-D259 PolarHBondContact N-O 3.1Å
212K91.6Very high83Confident135 Ų13571 Ų7159%0.58736%0.357SS*.EExtended strand (participates in β ladder)trans-143.6127.8-170.7-175.5179.5174.5-174.60110.8R181 Y183 L214R181-K212 PolarHBondContact N-O 2.94Å; R181-K212 PolarHBondContact O-N 3.15Å; Y183-K212 HydrophobicContact CE2-CB 4.11Å; K212-L214 PolarHBondContact O-N 2.73Å
213L91.6Very high83.4Confident17 Ų1769.2 Ų69.29%0.08934%0.344CS..EExtended strand (participates in β ladder)trans-67.4127.9174.8-164.967.4000109.6R178 L180 D216 F227 V385 V387R178-L213 HydrophobicContact CB-CD1 3.77Å; R178-L213 HydrophobicContact CB-CG 4.44Å; L180-L213 HydrophobicContact CB-CD1 4.5Å; L213-D216 HydrophobicContact CB-CB 4.46Å; L213-D216 HydrophobicContact CD2-CB 3.99Å; L213-D216 HydrophobicContact CG-CB 4.38Å; L213-F227 HydrophobicContact CD1-CE1 4.48Å; L213-F227 HydrophobicContact CD1-CZ 4.05Å; L213-F227 HydrophobicContact CD2-CZ 4.26Å; L213-V385 HydrophobicContact CD1-CG2 3.69Å; L213-V387 HydrophobicContact CD1-CG2 4.21Å; L213-V387 HydrophobicContact CD2-CG2 4.05Å
214L89.1Confident83.7Confident40 Ų4068.5 Ų68.521%0.20934%0.338CS..SBendtrans-82.6146.3171.6-54.5-173.6000109.6K179 R181 K212 D216K179-L214 HydrophobicContact CB-CB 4.28Å; K179-L214 HydrophobicContact CB-CD1 3.94Å; K179-L214 HydrophobicContact CB-CG 4.28Å; K179-L214 WeakPolarHBondContact O-CB 3.41Å; K179-L214 PolarHBondContact O-N 3.03Å; R181-L214 HydrophobicContact CB-CD1 4.23Å; R181-L214 HydrophobicContact CB-CD2 3.88Å; R181-L214 HydrophobicContact CB-CG 4.05Å; K212-L214 PolarHBondContact O-N 2.73Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 3.05Å
215D77.3Confident83.9Confident140 Ų14068 Ų6875%0.74933%0.334SS*.SBendtrans49.446.8177.2-51.8-31.4000114.1R178 P217R178-D215 PolarHBondContact NE-O 2.88Å; D215-P217 VanDerWaalsContact O-CD 3.26Å; D215-P217 WeakPolarHBondContact O-CD 3.27Å
216D68.4Low84Confident52 Ų5268.6 Ų68.628%0.27834%0.339SS..  trans-79.2111171.8-170.3-2.7000110.5L213 L214 G218L213-D216 HydrophobicContact CB-CB 4.46Å; L213-D216 HydrophobicContact CD2-CB 3.99Å; L213-D216 HydrophobicContact CG-CB 4.38Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 3.05Å; D216-G218 VanDerWaalsContact C-N 3.26Å; D216-G218 WeakPolarHBondContact OD1-CA 3.36Å; D216-G218 PolarHBondContact OD1-N 3.16Å
217P58.9Low84Confident96 Ų9667.7 Ų67.762%0.62334%0.335SS*.  trans-85.30.9175.738.2-36000112.4D215D215-P217 VanDerWaalsContact O-CD 3.26Å; D215-P217 WeakPolarHBondContact O-CD 3.27Å
218G62.4Low84.1Confident39 Ų3967.7 Ų67.740%0.40234%0.335SS..  trans-78.2145.8-174.200000113.8D216 L220D216-G218 VanDerWaalsContact C-N 3.26Å; D216-G218 WeakPolarHBondContact OD1-CA 3.36Å; D216-G218 PolarHBondContact OD1-N 3.16Å; G218-L220 VanDerWaalsContact C-N 3.3Å
219K61Low84.1Confident213 Ų21370.2 Ų70.293%0.92635%0.347SS*.SBendtrans-73.5-22168.2-69.6-171.3176.3-174.40113.1
220L64.9Low84.1Confident155 Ų15570.4 Ų70.481%0.81235%0.349SS*.SBendtrans-104.7105.4173-93.567.7000108.7G218 R222G218-L220 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.21Å
221K78.1Confident84.1Confident185 Ų18567 Ų6780%0.80433%0.333SS*.PPolyproline II helixtrans-62.3125.1170.4-66177.8-179.3173.50109.3
222R86.7Confident84.3Confident85 Ų8567.6 Ų67.632%0.32134%0.335SS..PPolyproline II helixtrans-74.6135.7169.8-75.5-170.364-177.20.9110.6L220 S226 F227L220-R222 PolarHBondContact O-N 3.21Å; R222-S226 PolarHBondContact NE-OG 3Å; R222-S226 PolarHBondContact NH2-O 3.09Å; R222-S226 PolarHBondContact NH2-OG 3.21Å; R222-F227 HydrophobicContact CB-CE2 3.88Å; R222-F227 HydrophobicContact CB-CZ 3.74Å; R222-F227 HydrophobicContact CG-CZ 4.44Å; R222-F227 VanDerWaalsContact CZ-CE1 3.41Å
223K92.1Very high84.4Confident84 Ų8461.2 Ų61.237%0.36531%0.307SS..PPolyproline II helixtrans-68.6146.3176.2-68.3-62.5-169.5170.30112S225 S226 F227 E257 D259K223-S225 PolarHBondContact O-N 3.26Å; K223-S226 VanDerWaalsContact O-CB 3.28Å; K223-S226 WeakPolarHBondContact O-CB 3.36Å; K223-S226 PolarHBondContact O-N 3.12Å; K223-S226 VanDerWaalsContact O-N 3.08Å; K223-S226 PolarHBondContact O-OG 3.09Å; K223-F227 WeakPolarHBondContact O-CD2 3.42Å; K223-E257 HydrophobicContact CB-CB 3.72Å; K223-E257 HydrophobicContact CG-CB 3.77Å; K223-D259 WeakPolarHBondContact CA-OD1 3.42Å; K223-D259 VanDerWaalsContact CD-CG 3.45Å; K223-D259 WeakPolarHBondContact CD-OD1 3.23Å; K223-D259 WeakPolarHBondContact CD-OD2 3.44Å; K223-D259 IonicContact NZ-OD2 3.79Å; K223-D259 PolarHBondContact NZ-OD2 3.3Å
224F93.7Very high84.6Confident1 Ų164.1 Ų64.10%0.00432%0.321CS..G310 helixtrans-51.7-51.8177.1172.8-120.9000112.9L180 L182 V209 G211 S226 F227 F228 L231 T258 D259 F261L180-F224 HydrophobicContact CD1-CD2 4.42Å; L180-F224 HydrophobicContact CD2-CD2 4.11Å; L180-F224 HydrophobicContact CD2-CE2 4.18Å; L182-F224 HydrophobicContact CD1-CE2 4.22Å; L182-F224 HydrophobicContact CD2-CE2 3.81Å; L182-F224 HydrophobicContact CD2-CZ 3.82Å; L182-F224 HydrophobicContact CG-CE2 3.67Å; L182-F224 HydrophobicContact CG-CZ 4.12Å; V209-F224 HydrophobicContact CG1-CE1 4.29Å; V209-F224 HydrophobicContact CG1-CZ 4.24Å; G211-F224 VanDerWaalsContact CA-CD2 3.44Å; F224-S226 PolarHBondContact O-N 3.45Å; F224-S226 VanDerWaalsContact O-N 3.1Å; F224-F227 WeakPolarHBondContact O-CD2 3.41Å; F224-F227 PolarHBondContact O-N 3.47Å; F224-F228 AromaticContact CD2-CE2 3.75Å; F224-F228 HydrophobicContact CD2-CE2 3.75Å; F224-F228 HydrophobicContact CE2-CD2 4.16Å; F224-F228 AromaticContact CE2-CE2 3.26Å; F224-F228 HydrophobicContact CE2-CE2 3.26Å; F224-F228 AromaticContact CE2-CZ 3.83Å; F224-F228 HydrophobicContact CE2-CZ 3.83Å; F224-F228 HydrophobicContact CZ-CD2 4.3Å; F224-F228 AromaticContact CZ-CE2 3.72Å; F224-F228 HydrophobicContact CZ-CE2 3.72Å; F224-F228 HydrophobicContact CZ-CZ 4.27Å; F224-F228 WeakPolarHBondContact O-CD2 3.26Å; F224-L231 HydrophobicContact CE1-CD1 4.36Å; F224-T258 PolarHBondContact N-O 3.03Å; F224-T258 VanDerWaalsContact N-O 3.1Å; F224-D259 VanDerWaalsContact CB-C 3.45Å; F224-D259 VanDerWaalsContact CB-O 3.29Å; F224-D259 WeakPolarHBondContact CB-O 3.47Å; F224-F261 HydrophobicContact CD1-CD2 4.2Å; F224-F261 AromaticContact CD1-CE2 3.99Å; F224-F261 HydrophobicContact CD1-CE2 3.99Å; F224-F261 AromaticContact CE1-CD2 3.88Å; F224-F261 HydrophobicContact CE1-CD2 3.88Å; F224-F261 AromaticContact CE1-CE2 3.86Å; F224-F261 HydrophobicContact CE1-CE2 3.86Å
225S93.9Very high84.8Confident0 Ų062.5 Ų62.50%031%0.312CS..G310 helixtrans-57.3-29.4-179.660.10000112.6K223 F227 F228 R251 E257 T258K223-S225 PolarHBondContact O-N 3.26Å; S225-F227 PolarHBondContact O-N 3.29Å; S225-F228 PolarHBondContact O-N 3.49Å; S225-R251 VanDerWaalsContact C-NH2 3.27Å; S225-R251 PolarHBondContact O-NH2 3.13Å; S225-E257 WeakPolarHBondContact CB-OE2 3.18Å; S225-E257 VanDerWaalsContact OG-CA 3.23Å; S225-E257 WeakPolarHBondContact OG-CA 3.27Å; S225-E257 PolarHBondContact OG-OE2 3.43Å; S225-T258 PolarHBondContact N-O 3.15Å; S225-T258 PolarHBondContact OG-N 2.83Å; S225-T258 PolarHBondContact OG-O 2.91Å
226S92.3Very high85.4Confident15 Ų1557.6 Ų57.611%0.10529%0.286CS..G310 helixtrans-64.2-6.1-176.383.30000114.8R222 K223 F224 R251 E257R222-S226 PolarHBondContact NE-OG 3Å; R222-S226 PolarHBondContact NH2-O 3.09Å; R222-S226 PolarHBondContact NH2-OG 3.21Å; K223-S226 VanDerWaalsContact O-CB 3.28Å; K223-S226 WeakPolarHBondContact O-CB 3.36Å; K223-S226 PolarHBondContact O-N 3.12Å; K223-S226 VanDerWaalsContact O-N 3.08Å; K223-S226 PolarHBondContact O-OG 3.09Å; F224-S226 PolarHBondContact O-N 3.45Å; F224-S226 VanDerWaalsContact O-N 3.1Å; S226-R251 VanDerWaalsContact CA-NH2 3.35Å; S226-E257 WeakPolarHBondContact CA-OE2 3.3Å; S226-E257 WeakPolarHBondContact CB-OE1 3.35Å; S226-E257 PolarHBondContact N-OE2 3.38Å; S226-E257 VanDerWaalsContact N-OE2 3.16Å
227F93.5Very high86.4Confident9 Ų960.5 Ų60.54%0.03930%0.296CS..G310 helixtrans-100-9.2175.2-62.1-79.2000113.7L180 L213 R222 K223 F224 S225 L279 D280 V385 V387L180-F227 HydrophobicContact CD1-CD2 4.11Å; L180-F227 HydrophobicContact CD1-CE2 4.15Å; L180-F227 HydrophobicContact CD2-CB 4.02Å; L180-F227 HydrophobicContact CD2-CD2 3.92Å; L180-F227 HydrophobicContact CD2-CG 4.04Å; L213-F227 HydrophobicContact CD1-CE1 4.48Å; L213-F227 HydrophobicContact CD1-CZ 4.05Å; L213-F227 HydrophobicContact CD2-CZ 4.26Å; R222-F227 HydrophobicContact CB-CE2 3.88Å; R222-F227 HydrophobicContact CB-CZ 3.74Å; R222-F227 HydrophobicContact CG-CZ 4.44Å; R222-F227 VanDerWaalsContact CZ-CE1 3.41Å; K223-F227 WeakPolarHBondContact O-CD2 3.42Å; F224-F227 WeakPolarHBondContact O-CD2 3.41Å; F224-F227 PolarHBondContact O-N 3.47Å; S225-F227 PolarHBondContact O-N 3.29Å; F227-L279 WeakPolarHBondContact O-CA 3.38Å; F227-L279 WeakPolarHBondContact O-CD2 3.4Å; F227-D280 PolarHBondContact O-N 2.93Å; F227-V385 HydrophobicContact CB-CG1 4.33Å; F227-V385 HydrophobicContact CD1-CB 3.79Å; F227-V385 HydrophobicContact CD1-CG1 4.13Å; F227-V385 HydrophobicContact CD1-CG2 3.82Å; F227-V385 HydrophobicContact CE1-CB 4.19Å; F227-V385 HydrophobicContact CE1-CG2 3.74Å; F227-V385 HydrophobicContact CG-CB 4.49Å; F227-V385 HydrophobicContact CG-CG1 4.36Å; F227-V385 HydrophobicContact CZ-CG2 4.43Å; F227-V387 HydrophobicContact CE1-CG2 4.21Å
228F94.5Very high87.8Confident1 Ų163.5 Ų63.50%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-120.7139.3-173.3-56.2-84.6000112.3L180 F224 S225 W249 R251 L277 M278 L279L180-F228 HydrophobicContact CD2-CE2 3.66Å; L180-F228 HydrophobicContact CD2-CZ 3.7Å; F224-F228 AromaticContact CD2-CE2 3.75Å; F224-F228 HydrophobicContact CD2-CE2 3.75Å; F224-F228 HydrophobicContact CE2-CD2 4.16Å; F224-F228 AromaticContact CE2-CE2 3.26Å; F224-F228 HydrophobicContact CE2-CE2 3.26Å; F224-F228 AromaticContact CE2-CZ 3.83Å; F224-F228 HydrophobicContact CE2-CZ 3.83Å; F224-F228 HydrophobicContact CZ-CD2 4.3Å; F224-F228 AromaticContact CZ-CE2 3.72Å; F224-F228 HydrophobicContact CZ-CE2 3.72Å; F224-F228 HydrophobicContact CZ-CZ 4.27Å; F224-F228 WeakPolarHBondContact O-CD2 3.26Å; S225-F228 PolarHBondContact O-N 3.49Å; F228-W249 HydrophobicContact CB-CZ3 4.19Å; F228-R251 PolarHBondContact O-NE 3.08Å; F228-R251 PolarHBondContact O-NH2 3.44Å; F228-L277 HydrophobicContact CD1-CB 4.06Å; F228-L277 HydrophobicContact CD1-CD2 4.16Å; F228-L277 HydrophobicContact CE1-CB 3.82Å; F228-L277 HydrophobicContact CE1-CD2 4Å; F228-L277 HydrophobicContact CE1-CG 4.38Å; F228-L277 HydrophobicContact CZ-CD2 4.39Å; F228-M278 CarbonylContact C-O 3.57Å; F228-M278 VanDerWaalsContact CA-O 3.26Å; F228-M278 WeakPolarHBondContact CA-O 3.5Å; F228-M278 WeakPolarHBondContact CB-O 3.36Å; F228-L279 HydrophobicContact CD1-CD2 3.87Å; F228-L279 HydrophobicContact CD1-CG 4.45Å; F228-L279 HydrophobicContact CE1-CD2 3.52Å; F228-L279 HydrophobicContact CE1-CG 4.27Å; F228-L279 HydrophobicContact CZ-CD2 4.09Å
229K93.9Very high88.9Confident122 Ų12265.9 Ų65.953%0.5331%0.31SS..EExtended strand (participates in β ladder)trans-82.4-35.3170.5-179.4-176.8174-170.30110.8R251 M278 D280K229-R251 VanDerWaalsContact O-CB 3.23Å; K229-R251 WeakPolarHBondContact O-CB 3.1Å; K229-R251 PolarHBondContact O-N 3.44Å; K229-M278 PolarHBondContact N-O 2.74Å; K229-D280 HydrophobicContact CB-CB 4.13Å
230S94.6Very high90.1Very high5 Ų557.4 Ų57.44%0.03527%0.272CS..EExtended strand (participates in β ladder)trans-157.1158.6171.554.10000111.8W249 H250 M278S230-W249 CarbonylContact C-O 3.57Å; S230-W249 WeakPolarHBondContact CA-O 3.44Å; S230-W249 WeakPolarHBondContact CB-O 3.42Å; S230-H250 VanDerWaalsContact CB-ND1 3.31Å; S230-H250 WeakPolarHBondContact CB-ND1 3.48Å; S230-M278 PolarHBondContact N-O 2.94Å; S230-M278 PolarHBondContact O-N 2.73Å; S230-M278 WeakPolarHBondContact OG-CB 3.36Å
231L95.4Very high91.1Very high5 Ų551.2 Ų51.23%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-134.5126.4175.3178.7159.5000106.5V209 F224 I233 W249 F261 L277V209-L231 HydrophobicContact CG1-CD1 4.38Å; F224-L231 HydrophobicContact CE1-CD1 4.36Å; L231-I233 HydrophobicContact CD2-CD1 3.93Å; L231-I233 HydrophobicContact CD2-CG1 3.76Å; L231-W249 HydrophobicContact CB-CE3 4.12Å; L231-W249 PolarHBondContact N-O 2.93Å; L231-W249 PolarHBondContact O-N 3.22Å; L231-F261 HydrophobicContact CD1-CD2 3.66Å; L231-F261 HydrophobicContact CD1-CE2 3.85Å; L231-L277 HydrophobicContact CB-CD2 4.3Å; L231-L277 HydrophobicContact CD1-CD2 3.55Å; L231-L277 HydrophobicContact CG-CD2 3.76Å
232V95.6Very high91.4Very high21 Ų2146.3 Ų46.313%0.12723%0.233CC..EExtended strand (participates in β ladder)trans-120.5135.1174177.70000108.4L246 V247 E248 L275 L276V232-L246 HydrophobicContact CG1-CD2 3.94Å; V232-V247 WeakPolarHBondContact CA-O 3.46Å; V232-E248 HydrophobicContact CG1-CG 4.1Å; V232-E248 HydrophobicContact CG2-CB 4.27Å; V232-E248 HydrophobicContact CG2-CG 3.96Å; V232-L275 WeakPolarHBondContact O-CA 3.33Å; V232-L276 HydrophobicContact CB-CB 4.33Å; V232-L276 HydrophobicContact CB-CD1 4.35Å; V232-L276 HydrophobicContact CG1-CD1 4.29Å; V232-L276 PolarHBondContact N-O 3.44Å; V232-L276 PolarHBondContact O-N 3.41Å
233I95.1Very high91.2Very high1 Ų149 Ų491%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-113.1113.7169.4-60162.2000106.7L207 V209 L231 L235 V247 V263 C273 L275L207-I233 HydrophobicContact CD2-CD1 4.25Å; L207-I233 HydrophobicContact CD2-CG2 4.13Å; V209-I233 HydrophobicContact CG2-CD1 4.47Å; L231-I233 HydrophobicContact CD2-CD1 3.93Å; L231-I233 HydrophobicContact CD2-CG1 3.76Å; I233-L235 HydrophobicContact CG2-CD2 3.89Å; I233-V247 HydrophobicContact CB-CB 4.4Å; I233-V247 PolarHBondContact N-O 3.37Å; I233-V247 PolarHBondContact O-N 3.01Å; I233-V263 HydrophobicContact CD1-CG2 3.88Å; I233-C273 HydrophobicContact CG2-CB 4.28Å; I233-L275 HydrophobicContact CG1-CD2 4.49Å; I233-L275 HydrophobicContact CG1-CG 4.29Å
234E95Very high90.9Very high78 Ų7848.7 Ų48.736%0.36426%0.256SS..EExtended strand (participates in β ladder)trans-93.9126.3170.8179.4-176.4-156.700108.3L246 C273 T274 L276E234-L246 HydrophobicContact CB-CD2 3.97Å; E234-L246 HydrophobicContact CG-CD2 4.19Å; E234-C273 CarbonylContact O-C 3.52Å; E234-C273 WeakPolarHBondContact O-CA 3.29Å; E234-C273 VanDerWaalsContact O-CB 3.32Å; E234-C273 WeakPolarHBondContact O-CB 3.44Å; E234-T274 PolarHBondContact N-O 3.42Å; E234-T274 PolarHBondContact O-N 2.76Å; E234-L276 HydrophobicContact CB-CD1 4.31Å
235L93.4Very high90.7Very high6 Ų649.4 Ų49.43%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-103.3168.1175.6-53.7174.5000109.4W205 I233 K237 Y240 H245 R265 V271 C273 I368W205-L235 HydrophobicContact CH2-CD1 3.84Å; W205-L235 HydrophobicContact CH2-CD2 3.78Å; W205-L235 HydrophobicContact CH2-CG 4.49Å; W205-L235 HydrophobicContact CZ2-CD1 3.95Å; W205-L235 HydrophobicContact CZ2-CD2 4.14Å; I233-L235 HydrophobicContact CG2-CD2 3.89Å; L235-K237 PolarHBondContact O-N 3.14Å; L235-K237 VanDerWaalsContact O-N 3.08Å; L235-Y240 HydrophobicContact CB-CD2 3.99Å; L235-Y240 HydrophobicContact CD1-CD2 4.04Å; L235-Y240 HydrophobicContact CD1-CE2 4.3Å; L235-Y240 HydrophobicContact CD1-CG 4.37Å; L235-H245 HydrophobicContact CB-CB 4.44Å; L235-H245 WeakPolarHBondContact CB-O 3.46Å; L235-H245 WeakPolarHBondContact CG-O 3.23Å; L235-H245 PolarHBondContact N-O 2.85Å; L235-R265 HydrophobicContact CD1-CG 4.48Å; L235-V271 HydrophobicContact CB-CG1 4.41Å; L235-C273 HydrophobicContact CD2-CB 3.78Å; L235-I368 HydrophobicContact CD2-CD1 4.33Å
236D90.3Very high90.7Very high37 Ų3752.7 Ų52.720%0.19828%0.276CS..  trans-61.4115.2177.1-146.9-50.2000111.5D238 L239 Y240 V271 R272D236-D238 VanDerWaalsContact C-N 3.31Å; D236-D238 PolarHBondContact O-N 2.9Å; D236-L239 HydrophobicContact CB-CB 4.48Å; D236-L239 PolarHBondContact O-N 2.72Å; D236-Y240 PolarHBondContact O-N 3.24Å; D236-V271 HydrophobicContact CB-CG1 4.24Å; D236-R272 PolarHBondContact N-O 2.81Å; D236-R272 IonicContact OD1-NH2 3.6Å; D236-R272 IonicContact OD2-CZ 3.64Å; D236-R272 IonicContact OD2-NE 2.63Å; D236-R272 PolarHBondContact OD2-NE 3.45Å; D236-R272 IonicContact OD2-NH2 2.72Å; D236-R272 PolarHBondContact OD2-NH2 3.07Å
237K89.1Confident90.7Very high113 Ų11353.9 Ų53.949%0.49128%0.283SS..Hα-helixtrans-67.4-31.5-169.5-175.9178.3175.8-178.80112.7L235 L239 G241 H245L235-K237 PolarHBondContact O-N 3.14Å; L235-K237 VanDerWaalsContact O-N 3.08Å; K237-L239 PolarHBondContact O-N 2.96Å; K237-G241 VanDerWaalsContact O-CA 3.25Å; K237-G241 WeakPolarHBondContact O-CA 3.36Å; K237-G241 PolarHBondContact O-N 3.12Å; K237-H245 HydrophobicContact CB-CB 4.42Å
238D87.7Confident90.8Very high158 Ų15859 Ų5985%0.84531%0.307SS*.Hα-helixtrans-73.7-19.5-179.5-63-23.1000111.7D236D236-D238 VanDerWaalsContact C-N 3.31Å; D236-D238 PolarHBondContact O-N 2.9Å
239L86.8Confident90.8Very high89 Ų8961.1 Ų61.147%0.46632%0.315SS..Hα-helixtrans-93.5-36178.6-169.265.7000113.3D236 K237 V271D236-L239 HydrophobicContact CB-CB 4.48Å; D236-L239 PolarHBondContact O-N 2.72Å; K237-L239 PolarHBondContact O-N 2.96Å; L239-V271 HydrophobicContact CD2-CG1 4.43Å; L239-V271 HydrophobicContact CD2-CG2 3.8Å
240Y86Confident90.8Very high35 Ų3560 Ų6014%0.13731%0.312CS..Hα-helixtrans-107.2-6.7-177.8-72.5-74.4000115W205 L235 D236 N244 R265 P266 V271W205-Y240 HydrophobicContact CZ2-CE2 4.18Å; W205-Y240 AromaticContact NE1-CZ 3.95Å; W205-Y240 PolarHBondContact NE1-OH 3.19Å; L235-Y240 HydrophobicContact CB-CD2 3.99Å; L235-Y240 HydrophobicContact CD1-CD2 4.04Å; L235-Y240 HydrophobicContact CD1-CE2 4.3Å; L235-Y240 HydrophobicContact CD1-CG 4.37Å; D236-Y240 PolarHBondContact O-N 3.24Å; Y240-N244 WeakPolarHBondContact O-CB 3.43Å; Y240-R265 HydrophobicContact CE1-CB 4.17Å; Y240-P266 PolarHBondContact OH-O 2.67Å; Y240-V271 HydrophobicContact CD2-CG1 4.49Å; Y240-V271 HydrophobicContact CE2-CG1 3.93Å; Y240-V271 HydrophobicContact CE2-CG2 4.06Å
241G85.6Confident90.7Very high25 Ų2562.9 Ų62.926%0.25832%0.321SS..Hα-helixtrans71.6173-178.100000114K237 D243 H245K237-G241 VanDerWaalsContact O-CA 3.25Å; K237-G241 WeakPolarHBondContact O-CA 3.36Å; K237-G241 PolarHBondContact O-N 3.12Å; G241-D243 VanDerWaalsContact C-N 3.27Å; G241-D243 PolarHBondContact O-N 3.05Å; G241-H245 WeakPolarHBondContact O-CB 3.32Å; G241-H245 PolarHBondContact O-N 2.65Å; G241-H245 PolarHBondContact O-ND1 2.82Å
242P83.6Confident90.5Very high82 Ų8265.7 Ų65.753%0.53234%0.339SS..Hα-helixtrans-61.6-31-171.124.8-34.2000113.7H245P242-H245 PolarHBondContact O-CE1 3.36Å; P242-H245 PolarHBondContact O-ND1 3.19Å
243D83.8Confident90.1Very high142 Ų14271.6 Ų71.676%0.75938%0.378SS*.Hα-helixtrans-96.5-18.9-170.1-49.2-56.5000114.3G241G241-D243 VanDerWaalsContact C-N 3.27Å; G241-D243 PolarHBondContact O-N 3.05Å
244N86.1Confident89.9Confident77 Ų7777.7 Ų77.741%0.41242%0.415SS..Hα-helixtrans-111.5-11.8-177.4-70.4-79.4000114.8Y240 L246 R265Y240-N244 WeakPolarHBondContact O-CB 3.43Å; N244-L246 PolarHBondContact O-N 3.06Å; N244-R265 PolarHBondContact O-NH2 3.3Å; N244-R265 PolarHBondContact OD1-NH1 2.93Å
245H88.8Confident89.7Confident17 Ų1775.8 Ų75.88%0.07941%0.409CS..SBendtrans-69.3-16.8-18078.3-59000114.4L235 K237 G241 P242L235-H245 HydrophobicContact CB-CB 4.44Å; L235-H245 WeakPolarHBondContact CB-O 3.46Å; L235-H245 WeakPolarHBondContact CG-O 3.23Å; L235-H245 PolarHBondContact N-O 2.85Å; K237-H245 HydrophobicContact CB-CB 4.42Å; G241-H245 WeakPolarHBondContact O-CB 3.32Å; G241-H245 PolarHBondContact O-N 2.65Å; G241-H245 PolarHBondContact O-ND1 2.82Å; P242-H245 PolarHBondContact O-CE1 3.36Å; P242-H245 PolarHBondContact O-ND1 3.19Å
246L93.2Very high89.6Confident68 Ų6883.7 Ų83.736%0.35645%0.446SS..EExtended strand (participates in β ladder)trans-104.4139.5176.8-69166.9000111.3V232 E234 N244V232-L246 HydrophobicContact CG1-CD2 3.94Å; E234-L246 HydrophobicContact CB-CD2 3.97Å; E234-L246 HydrophobicContact CG-CD2 4.19Å; N244-L246 PolarHBondContact O-N 3.06Å
247V93.9Very high89.6Confident40 Ų4084.8 Ų84.824%0.24245%0.45CS..EExtended strand (participates in β ladder)trans-128.8109.4167-178.70000108.2V232 I233 V263V232-V247 WeakPolarHBondContact CA-O 3.46Å; I233-V247 HydrophobicContact CB-CB 4.4Å; I233-V247 PolarHBondContact N-O 3.37Å; I233-V247 PolarHBondContact O-N 3.01Å; V247-V263 HydrophobicContact CG1-CG2 4.03Å; V247-V263 HydrophobicContact CG2-CG1 4.13Å
248E94.2Very high89.8Confident116 Ų11681.8 Ų81.854%0.54244%0.441SS..EExtended strand (participates in β ladder)trans-109.4136.4-174.8-53.4-164.2116.800112V232 H250V232-E248 HydrophobicContact CG1-CG 4.1Å; V232-E248 HydrophobicContact CG2-CB 4.27Å; V232-E248 HydrophobicContact CG2-CG 3.96Å; E248-H250 IonicContact OE2-NE2 2.82Å
249W94.9Very high90Very high46 Ų4677.9 Ų77.917%0.17442%0.42CS..EExtended strand (participates in β ladder)trans-124.8128.1167.6174.285.3000109.8F228 S230 L231 R251 T255 F261F228-W249 HydrophobicContact CB-CZ3 4.19Å; S230-W249 CarbonylContact C-O 3.57Å; S230-W249 WeakPolarHBondContact CA-O 3.44Å; S230-W249 WeakPolarHBondContact CB-O 3.42Å; L231-W249 HydrophobicContact CB-CE3 4.12Å; L231-W249 PolarHBondContact N-O 2.93Å; L231-W249 PolarHBondContact O-N 3.22Å; W249-R251 HydrophobicContact CH2-CB 4.17Å; W249-T255 HydrophobicContact CZ2-CG2 3.69Å; W249-F261 HydrophobicContact CB-CE1 4.37Å; W249-F261 AromaticContact CD1-CE1 3.64Å; W249-F261 AromaticContact CD2-CE1 3.73Å; W249-F261 HydrophobicContact CD2-CE1 3.73Å; W249-F261 AromaticContact CD2-CZ 3.56Å; W249-F261 HydrophobicContact CD2-CZ 3.56Å; W249-F261 AromaticContact CE2-CE1 3.76Å; W249-F261 AromaticContact CE2-CZ 3.66Å; W249-F261 HydrophobicContact CE3-CE1 4.43Å; W249-F261 AromaticContact CE3-CZ 3.84Å; W249-F261 HydrophobicContact CE3-CZ 3.84Å; W249-F261 HydrophobicContact CG-CD1 4.48Å; W249-F261 AromaticContact CG-CE1 3.66Å; W249-F261 HydrophobicContact CG-CE1 3.66Å; W249-F261 AromaticContact CG-CZ 3.99Å; W249-F261 HydrophobicContact CG-CZ 3.99Å; W249-F261 HydrophobicContact CH2-CZ 4.28Å; W249-F261 HydrophobicContact CZ2-CE1 4.47Å; W249-F261 HydrophobicContact CZ2-CZ 4.02Å; W249-F261 HydrophobicContact CZ3-CZ 4.19Å; W249-F261 AromaticContact NE1-CE1 3.68Å
250H94.4Very high90.3Very high100 Ų10074.6 Ų74.646%0.46341%0.407SS..EExtended strand (participates in β ladder)trans-123.1133.4176.8-59.4-78.2000111.1S230 E248 T252S230-H250 VanDerWaalsContact CB-ND1 3.31Å; S230-H250 WeakPolarHBondContact CB-ND1 3.48Å; E248-H250 IonicContact OE2-NE2 2.82Å; H250-T252 PolarHBondContact O-N 3.47Å
251R92.6Very high90.7Very high64 Ų6474.7 Ų74.724%0.24241%0.409CS..  trans-64.6116.5171.7170.8177.4-68.7-71.8-26.9110.8S225 S226 F228 K229 W249 E257S225-R251 VanDerWaalsContact C-NH2 3.27Å; S225-R251 PolarHBondContact O-NH2 3.13Å; S226-R251 VanDerWaalsContact CA-NH2 3.35Å; F228-R251 PolarHBondContact O-NE 3.08Å; F228-R251 PolarHBondContact O-NH2 3.44Å; K229-R251 VanDerWaalsContact O-CB 3.23Å; K229-R251 WeakPolarHBondContact O-CB 3.1Å; K229-R251 PolarHBondContact O-N 3.44Å; W249-R251 HydrophobicContact CH2-CB 4.17Å; R251-E257 IonicContact CZ-OE1 3.89Å; R251-E257 IonicContact CZ-OE2 3.24Å; R251-E257 IonicContact NH1-OE1 2.79Å; R251-E257 PolarHBondContact NH1-OE1 3.48Å; R251-E257 IonicContact NH1-OE2 3.32Å; R251-E257 VanDerWaalsContact NH2-CD 3.32Å; R251-E257 IonicContact NH2-OE1 3.74Å; R251-E257 PolarHBondContact NH2-OE1 3.03Å; R251-E257 VanDerWaalsContact NH2-OE1 3.08Å; R251-E257 IonicContact NH2-OE2 2.76Å; R251-E257 PolarHBondContact NH2-OE2 3.25Å
252T91.2Very high91.1Very high65 Ų6578.9 Ų78.940%0.39942%0.421SS..  trans-104.8162.9163.975.50000110.5H250 T254 T255H250-T252 PolarHBondContact O-N 3.47Å; T252-T254 PolarHBondContact O-N 3.04Å; T252-T254 PolarHBondContact OG1-N 3.19Å; T252-T254 PolarHBondContact OG1-OG1 2.88Å; T252-T255 PolarHBondContact N-OG1 3.12Å; T252-T255 WeakPolarHBondContact O-CB 3.28Å; T252-T255 PolarHBondContact O-N 3.36Å; T252-T255 VanDerWaalsContact O-N 3.12Å; T252-T255 PolarHBondContact O-OG1 3.5Å; T252-T255 PolarHBondContact OG1-N 3.19Å; T252-T255 PolarHBondContact OG1-OG1 2.91Å
253P87.3Confident91.5Very high144 Ų14475.8 Ų75.894%0.93540%0.401SS*.THydrogen-bonded Turntrans-60.7-14.3175.8-24.835.7000115.3
254T90.2Very high91.9Very high130 Ų13075 Ų7580%0.79839%0.391SS*.THydrogen-bonded Turntrans-108.74.5179.651.50000113.3T252 Q256T252-T254 PolarHBondContact O-N 3.04Å; T252-T254 PolarHBondContact OG1-N 3.19Å; T252-T254 PolarHBondContact OG1-OG1 2.88Å; T254-Q256 PolarHBondContact O-N 3.23Å
255T90.3Very high92.2Very high37 Ų3774.5 Ų74.523%0.22738%0.383CS..PPolyproline II helixtrans-70.3128.4-177.6-58.40000111.4W249 T252W249-T255 HydrophobicContact CZ2-CG2 3.69Å; T252-T255 PolarHBondContact N-OG1 3.12Å; T252-T255 WeakPolarHBondContact O-CB 3.28Å; T252-T255 PolarHBondContact O-N 3.36Å; T252-T255 VanDerWaalsContact O-N 3.12Å; T252-T255 PolarHBondContact O-OG1 3.5Å; T252-T255 PolarHBondContact OG1-N 3.19Å; T252-T255 PolarHBondContact OG1-OG1 2.91Å
256Q91.1Very high92.2Very high173 Ų17377.2 Ų77.281%0.80840%0.403SS*.PPolyproline II helixtrans-73.2133.2172.4-172.5176.310.100110.6T254T254-Q256 PolarHBondContact O-N 3.23Å
257E92Very high91.9Very high59 Ų5974.8 Ų74.828%0.27639%0.394SS..PPolyproline II helixtrans-83.8131.2-175.2-58.5-82-152.500112.4K223 S225 S226 R251K223-E257 HydrophobicContact CB-CB 3.72Å; K223-E257 HydrophobicContact CG-CB 3.77Å; S225-E257 WeakPolarHBondContact CB-OE2 3.18Å; S225-E257 VanDerWaalsContact OG-CA 3.23Å; S225-E257 WeakPolarHBondContact OG-CA 3.27Å; S225-E257 PolarHBondContact OG-OE2 3.43Å; S226-E257 WeakPolarHBondContact CA-OE2 3.3Å; S226-E257 WeakPolarHBondContact CB-OE1 3.35Å; S226-E257 PolarHBondContact N-OE2 3.38Å; S226-E257 VanDerWaalsContact N-OE2 3.16Å; R251-E257 IonicContact CZ-OE1 3.89Å; R251-E257 IonicContact CZ-OE2 3.24Å; R251-E257 IonicContact NH1-OE1 2.79Å; R251-E257 PolarHBondContact NH1-OE1 3.48Å; R251-E257 IonicContact NH1-OE2 3.32Å; R251-E257 VanDerWaalsContact NH2-CD 3.32Å; R251-E257 IonicContact NH2-OE1 3.74Å; R251-E257 PolarHBondContact NH2-OE1 3.03Å; R251-E257 VanDerWaalsContact NH2-OE1 3.08Å; R251-E257 IonicContact NH2-OE2 2.76Å; R251-E257 PolarHBondContact NH2-OE2 3.25Å
258T93.1Very high91.5Very high51 Ų5178.3 Ų78.331%0.31341%0.412SS..  trans-119.5160.4-17667.10000112.3F224 S225 G260F224-T258 PolarHBondContact N-O 3.03Å; F224-T258 VanDerWaalsContact N-O 3.1Å; S225-T258 PolarHBondContact N-O 3.15Å; S225-T258 PolarHBondContact OG-N 2.83Å; S225-T258 PolarHBondContact OG-O 2.91Å; T258-G260 VanDerWaalsContact C-N 3.35Å; T258-G260 WeakPolarHBondContact CB-O 3.37Å; T258-G260 PolarHBondContact OG1-O 3.38Å
259D91.6Very high91.3Very high76 Ų7676.7 Ų76.741%0.40641%0.409SS..SBendtrans-89.7-0.7173.6-70.4-47.8000113.4E210 G211 K223 F224E210-D259 WeakPolarHBondContact CA-O 3.35Å; G211-D259 PolarHBondContact N-O 3.1Å; K223-D259 WeakPolarHBondContact CA-OD1 3.42Å; K223-D259 VanDerWaalsContact CD-CG 3.45Å; K223-D259 WeakPolarHBondContact CD-OD1 3.23Å; K223-D259 WeakPolarHBondContact CD-OD2 3.44Å; K223-D259 IonicContact NZ-OD2 3.79Å; K223-D259 PolarHBondContact NZ-OD2 3.3Å; F224-D259 VanDerWaalsContact CB-C 3.45Å; F224-D259 VanDerWaalsContact CB-O 3.29Å; F224-D259 WeakPolarHBondContact CB-O 3.47Å
260G93.1Very high91Very high19 Ų1976.9 Ų76.920%0.19642%0.417CS..EExtended strand (participates in β ladder)trans-179.3179.8177.300000113.4V209 T258V209-G260 CarbonylContact O-C 3.35Å; V209-G260 WeakPolarHBondContact O-CA 3.46Å; T258-G260 VanDerWaalsContact C-N 3.35Å; T258-G260 WeakPolarHBondContact CB-O 3.37Å; T258-G260 PolarHBondContact OG1-O 3.38Å
261F94.3Very high90.8Very high37 Ų3772.1 Ų72.116%0.16240%0.396CS..EExtended strand (participates in β ladder)trans-130.4148174.9-57.5-86000109.8V209 F224 L231 W249V209-F261 PolarHBondContact N-O 2.84Å; V209-F261 PolarHBondContact O-N 3.44Å; F224-F261 HydrophobicContact CD1-CD2 4.2Å; F224-F261 AromaticContact CD1-CE2 3.99Å; F224-F261 HydrophobicContact CD1-CE2 3.99Å; F224-F261 AromaticContact CE1-CD2 3.88Å; F224-F261 HydrophobicContact CE1-CD2 3.88Å; F224-F261 AromaticContact CE1-CE2 3.86Å; F224-F261 HydrophobicContact CE1-CE2 3.86Å; L231-F261 HydrophobicContact CD1-CD2 3.66Å; L231-F261 HydrophobicContact CD1-CE2 3.85Å; W249-F261 HydrophobicContact CB-CE1 4.37Å; W249-F261 AromaticContact CD1-CE1 3.64Å; W249-F261 AromaticContact CD2-CE1 3.73Å; W249-F261 HydrophobicContact CD2-CE1 3.73Å; W249-F261 AromaticContact CD2-CZ 3.56Å; W249-F261 HydrophobicContact CD2-CZ 3.56Å; W249-F261 AromaticContact CE2-CE1 3.76Å; W249-F261 AromaticContact CE2-CZ 3.66Å; W249-F261 HydrophobicContact CE3-CE1 4.43Å; W249-F261 AromaticContact CE3-CZ 3.84Å; W249-F261 HydrophobicContact CE3-CZ 3.84Å; W249-F261 HydrophobicContact CG-CD1 4.48Å; W249-F261 AromaticContact CG-CE1 3.66Å; W249-F261 HydrophobicContact CG-CE1 3.66Å; W249-F261 AromaticContact CG-CZ 3.99Å; W249-F261 HydrophobicContact CG-CZ 3.99Å; W249-F261 HydrophobicContact CH2-CZ 4.28Å; W249-F261 HydrophobicContact CZ2-CE1 4.47Å; W249-F261 HydrophobicContact CZ2-CZ 4.02Å; W249-F261 HydrophobicContact CZ3-CZ 4.19Å; W249-F261 AromaticContact NE1-CE1 3.68Å
262Q93.3Very high90.8Very high113 Ų11376.9 Ų76.953%0.52841%0.414SS..EExtended strand (participates in β ladder)trans-132.6121.5-176.8-175.7179.9-21.200107.8E206 L207E206-Q262 VanDerWaalsContact CD-CG 3.5Å; E206-Q262 HydrophobicContact CG-CG 3.76Å; E206-Q262 WeakPolarHBondContact OE1-CG 3.42Å; E206-Q262 PolarHBondContact OE1-NE2 3.48Å; E206-Q262 PolarHBondContact OE2-NE2 3.5Å; L207-Q262 WeakPolarHBondContact O-CA 3.25Å
263V93.4Very high90.9Very high18 Ų1874 Ų7411%0.10940%0.396CS..EExtended strand (participates in β ladder)trans-121.2122-178.6178.20000108.2W205 E206 L207 I233 V247 R265W205-V263 HydrophobicContact CH2-CG1 4.35Å; W205-V263 HydrophobicContact CZ3-CG1 4.15Å; E206-V263 CarbonylContact C-O 3.55Å; E206-V263 WeakPolarHBondContact CA-O 3.39Å; L207-V263 PolarHBondContact N-O 3.12Å; L207-V263 PolarHBondContact O-N 2.89Å; I233-V263 HydrophobicContact CD1-CG2 3.88Å; V247-V263 HydrophobicContact CG1-CG2 4.03Å; V247-V263 HydrophobicContact CG2-CG1 4.13Å; V263-R265 HydrophobicContact CG1-CG 4.49Å
264K92.1Very high91.2Very high125 Ų12568.8 Ų68.854%0.54336%0.362SS..EExtended strand (participates in β ladder)trans-115.8132.8175.5-174.4176.9179.7178.10110.1S204 W205S204-K264 WeakPolarHBondContact OG-CE 3.35Å; S204-K264 PolarHBondContact OG-NZ 2.66Å; W205-K264 WeakPolarHBondContact O-CA 3.37Å; W205-K264 WeakPolarHBondContact O-CG 3.5Å
265R91.1Very high91.5Very high66 Ų6662.6 Ų62.625%0.24932%0.324CS..EExtended strand (participates in β ladder)trans-138153.7173.9-66.8-65-158.2171.99.4110.1S204 W205 L235 Y240 N244 V263S204-R265 VanDerWaalsContact CA-O 3.31Å; S204-R265 WeakPolarHBondContact CA-O 3.49Å; S204-R265 VanDerWaalsContact CB-O 3.24Å; S204-R265 WeakPolarHBondContact CB-O 3.3Å; W205-R265 HydrophobicContact CD2-CB 4.42Å; W205-R265 HydrophobicContact CH2-CB 3.91Å; W205-R265 HydrophobicContact CH2-CG 3.74Å; W205-R265 HydrophobicContact CZ2-CB 3.59Å; W205-R265 HydrophobicContact CZ2-CG 3.83Å; W205-R265 HydrophobicContact CZ3-CB 4.43Å; W205-R265 HydrophobicContact CZ3-CG 4.41Å; W205-R265 PolarHBondContact N-O 3.47Å; W205-R265 VanDerWaalsContact N-O 3.11Å; W205-R265 PolarHBondContact O-N 2.77Å; W205-R265 VanDerWaalsContact O-N 3.14Å; L235-R265 HydrophobicContact CD1-CG 4.48Å; Y240-R265 HydrophobicContact CE1-CB 4.17Å; N244-R265 PolarHBondContact O-NH2 3.3Å; N244-R265 PolarHBondContact OD1-NH1 2.93Å; V263-R265 HydrophobicContact CG1-CG 4.49Å
266P88.9Confident91.8Very high75 Ų7563 Ų6349%0.48732%0.324SS..EExtended strand (participates in β ladder)trans-68.2153.1166.831.3-35.1000110.7I202 A203 Y240I202-P266 HydrophobicContact CG2-CB 3.84Å; A203-P266 WeakPolarHBondContact O-CA 3.47Å; Y240-P266 PolarHBondContact OH-O 2.67Å
267G86.6Confident91.9Very high17 Ų1754.8 Ų54.818%0.17529%0.286CS..  trans147.3138.7178.200000112.1F188 A203F188-G267 WeakPolarHBondContact CE2-O 3.47Å; A203-G267 PolarHBondContact O-N 2.81Å
268D85.9Confident92.1Very high114 Ų11455 Ų5561%0.6129%0.288SS*.SBendtrans-113.2-2.6-179.361.3-27.6000113.3A203A203-D268 HydrophobicContact CB-CB 4.1Å
269V89.4Confident92.1Very high81 Ų8153.8 Ų53.849%0.49128%0.279SS..SBendtrans-103142.9176-178.60000110.3V271V269-V271 VanDerWaalsContact O-CG2 3.29Å; V269-V271 WeakPolarHBondContact O-CG2 3.45Å; V269-V271 PolarHBondContact O-N 2.95Å
270S88.9Confident92.1Very high50 Ų5052.2 Ų52.235%0.3527%0.271SS..  trans-63.4128.5175.3-64.30000112.2I368 V370S270-I368 CarbonylContact C-O 3.5Å; S270-I368 WeakPolarHBondContact CA-O 3.33Å; S270-I368 WeakPolarHBondContact CB-O 3.48Å; S270-V370 PolarHBondContact OG-N 3.2Å
271V90.4Very high92Very high1 Ų154.3 Ų54.31%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-111.4129.6-171-168.40000110.8L235 D236 L239 Y240 V269 I368L235-V271 HydrophobicContact CB-CG1 4.41Å; D236-V271 HydrophobicContact CB-CG1 4.24Å; L239-V271 HydrophobicContact CD2-CG1 4.43Å; L239-V271 HydrophobicContact CD2-CG2 3.8Å; Y240-V271 HydrophobicContact CD2-CG1 4.49Å; Y240-V271 HydrophobicContact CE2-CG1 3.93Å; Y240-V271 HydrophobicContact CE2-CG2 4.06Å; V269-V271 VanDerWaalsContact O-CG2 3.29Å; V269-V271 WeakPolarHBondContact O-CG2 3.45Å; V269-V271 PolarHBondContact O-N 2.95Å; V271-I368 HydrophobicContact CB-CB 4.3Å; V271-I368 HydrophobicContact CB-CD1 4.39Å; V271-I368 PolarHBondContact N-O 3.02Å; V271-I368 WeakPolarHBondContact O-CB 3.44Å; V271-I368 PolarHBondContact O-N 3.29Å
272R91.9Very high91.6Very high164 Ų16458 Ų5862%0.61929%0.291SS*.EExtended strand (participates in β ladder)trans-77.6137.9168-61.3179.5-60.9167.23.1109.5D236 V367D236-R272 PolarHBondContact N-O 2.81Å; D236-R272 IonicContact OD1-NH2 3.6Å; D236-R272 IonicContact OD2-CZ 3.64Å; D236-R272 IonicContact OD2-NE 2.63Å; D236-R272 PolarHBondContact OD2-NE 3.45Å; D236-R272 IonicContact OD2-NH2 2.72Å; D236-R272 PolarHBondContact OD2-NH2 3.07Å; R272-V367 HydrophobicContact CG-CG2 4.35Å
273C93.1Very high91.4Very high4 Ų455.2 Ų55.23%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-138.1148.1173.8660000113.1I233 E234 L235 H366 I368I233-C273 HydrophobicContact CG2-CB 4.28Å; E234-C273 CarbonylContact O-C 3.52Å; E234-C273 WeakPolarHBondContact O-CA 3.29Å; E234-C273 VanDerWaalsContact O-CB 3.32Å; E234-C273 WeakPolarHBondContact O-CB 3.44Å; L235-C273 HydrophobicContact CD2-CB 3.78Å; C273-H366 PolarHBondContact N-O 3.36Å; C273-H366 PolarHBondContact O-N 3.46Å; C273-H366 VanDerWaalsContact O-O 3.11Å; C273-I368 HydrophobicContact CB-CD1 4.44Å
274T95.3Very high91.3Very high35 Ų3558.3 Ų58.322%0.21530%0.303CS..EExtended strand (participates in β ladder)trans-114.8119.4178-51.10000108E234 L276 V363E234-T274 PolarHBondContact N-O 3.42Å; E234-T274 PolarHBondContact O-N 2.76Å; T274-L276 HydrophobicContact CG2-CD1 4.01Å; T274-L276 HydrophobicContact CG2-CG 4.3Å; T274-V363 HydrophobicContact CG2-CG1 3.54Å
275L95.1Very high91.4Very high0 Ų053.3 Ų53.30%028%0.282CS..EExtended strand (participates in β ladder)trans-96.5119.7174.7-60.987.2000108.8I184 V209 V232 I233 V363 I364 H366I184-L275 HydrophobicContact CD1-CD1 4.15Å; I184-L275 HydrophobicContact CD1-CD2 3.8Å; I184-L275 HydrophobicContact CG1-CD2 4.37Å; V209-L275 HydrophobicContact CB-CD2 4.49Å; V209-L275 HydrophobicContact CG1-CD2 4.06Å; V209-L275 HydrophobicContact CG2-CD2 3.55Å; V232-L275 WeakPolarHBondContact O-CA 3.33Å; I233-L275 HydrophobicContact CG1-CD2 4.49Å; I233-L275 HydrophobicContact CG1-CG 4.29Å; L275-V363 CarbonylContact O-C 3.47Å; L275-V363 WeakPolarHBondContact O-CA 3.47Å; L275-I364 HydrophobicContact CB-CB 4.37Å; L275-I364 WeakPolarHBondContact CD1-O 3.43Å; L275-I364 PolarHBondContact N-O 2.98Å; L275-I364 PolarHBondContact O-N 3.18Å; L275-H366 HydrophobicContact CD1-CB 3.97Å
276L96.3Very high91.6Very high44 Ų4453.1 Ų53.123%0.2328%0.282CS..EExtended strand (participates in β ladder)trans-107.8107.5176.8-56.394.8000109.4V232 E234 T274 P361 V363V232-L276 HydrophobicContact CB-CB 4.33Å; V232-L276 HydrophobicContact CB-CD1 4.35Å; V232-L276 HydrophobicContact CG1-CD1 4.29Å; V232-L276 PolarHBondContact N-O 3.44Å; V232-L276 PolarHBondContact O-N 3.41Å; E234-L276 HydrophobicContact CB-CD1 4.31Å; T274-L276 HydrophobicContact CG2-CD1 4.01Å; T274-L276 HydrophobicContact CG2-CG 4.3Å; L276-P361 HydrophobicContact CB-CB 4.13Å; L276-P361 HydrophobicContact CD2-CG 4.2Å; L276-V363 HydrophobicContact CD2-CG2 4.5Å
277L94.8Very high91.9Very high1 Ų151.6 Ų51.61%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-106109.8-173-69.3161.3000110.6L182 F228 L231 I362 I364 I383L182-L277 HydrophobicContact CD2-CD1 3.49Å; L182-L277 VanDerWaalsContact CD2-CD1 3.49Å; L182-L277 HydrophobicContact CD2-CD2 4.43Å; F228-L277 HydrophobicContact CD1-CB 4.06Å; F228-L277 HydrophobicContact CD1-CD2 4.16Å; F228-L277 HydrophobicContact CE1-CB 3.82Å; F228-L277 HydrophobicContact CE1-CD2 4Å; F228-L277 HydrophobicContact CE1-CG 4.38Å; F228-L277 HydrophobicContact CZ-CD2 4.39Å; L231-L277 HydrophobicContact CB-CD2 4.3Å; L231-L277 HydrophobicContact CD1-CD2 3.55Å; L231-L277 HydrophobicContact CG-CD2 3.76Å; L277-I362 HydrophobicContact CB-CB 4.2Å; L277-I362 PolarHBondContact N-O 3.05Å; L277-I362 PolarHBondContact O-N 2.8Å; L277-I364 HydrophobicContact CD1-CD1 3.81Å; L277-I364 HydrophobicContact CD1-CG1 4.48Å; L277-I383 HydrophobicContact CD1-CD1 4.14Å
278M94.7Very high92.3Very high65 Ų6550.8 Ų50.832%0.3226%0.26SS..EExtended strand (participates in β ladder)trans-97.8109.1179.8-65.5-119.2-75.400110.7F228 K229 S230 P361F228-M278 CarbonylContact C-O 3.57Å; F228-M278 VanDerWaalsContact CA-O 3.26Å; F228-M278 WeakPolarHBondContact CA-O 3.5Å; F228-M278 WeakPolarHBondContact CB-O 3.36Å; K229-M278 PolarHBondContact N-O 2.74Å; S230-M278 PolarHBondContact N-O 2.94Å; S230-M278 PolarHBondContact O-N 2.73Å; S230-M278 WeakPolarHBondContact OG-CB 3.36Å; M278-P361 HydrophobicContact CG-CB 4.05Å; M278-P361 HydrophobicContact SD-CB 4.38Å
279L93.8Very high92.8Very high24 Ų2447.1 Ų47.113%0.12624%0.24CC..EExtended strand (participates in β ladder)trans-66.8141.6179.2-72.3171.6000112.6F227 F228 Y281 I362 I383 V385F227-L279 WeakPolarHBondContact O-CA 3.38Å; F227-L279 WeakPolarHBondContact O-CD2 3.4Å; F228-L279 HydrophobicContact CD1-CD2 3.87Å; F228-L279 HydrophobicContact CD1-CG 4.45Å; F228-L279 HydrophobicContact CE1-CD2 3.52Å; F228-L279 HydrophobicContact CE1-CG 4.27Å; F228-L279 HydrophobicContact CZ-CD2 4.09Å; L279-Y281 HydrophobicContact CB-CD2 4.23Å; L279-Y281 HydrophobicContact CB-CE2 3.79Å; L279-Y281 HydrophobicContact CD1-CE1 4.43Å; L279-Y281 PolarHBondContact O-N 3.44Å; L279-I362 HydrophobicContact CD1-CD1 3.76Å; L279-I362 HydrophobicContact CG-CD1 4.21Å; L279-I383 HydrophobicContact CD1-CG2 4.24Å; L279-I383 HydrophobicContact CD2-CG2 4.45Å; L279-V385 HydrophobicContact CD2-CG1 3.94Å
280D92.3Very high93Very high44 Ų4447 Ų4724%0.23524%0.242CC..  trans-88.486.8173.3-170.238.5000111.1F227 K229 Q282F227-D280 PolarHBondContact O-N 2.93Å; K229-D280 HydrophobicContact CB-CB 4.13Å; D280-Q282 PolarHBondContact O-N 3.27Å; D280-Q282 PolarHBondContact OD2-NE2 3.48Å
281Y89.8Confident93.2Very high62 Ų6250.2 Ų50.224%0.24325%0.246CC..  trans-73.5118.7177.5-66-77.3000111.5L279 P283 P284 Q285 P359L279-Y281 HydrophobicContact CB-CD2 4.23Å; L279-Y281 HydrophobicContact CB-CE2 3.79Å; L279-Y281 HydrophobicContact CD1-CE1 4.43Å; L279-Y281 PolarHBondContact O-N 3.44Å; Y281-P283 CarbonylContact C-O 3.55Å; Y281-P283 CarbonylContact O-C 3.58Å; Y281-P284 VanDerWaalsContact O-CA 3.29Å; Y281-P284 WeakPolarHBondContact O-CA 3.39Å; Y281-P284 VanDerWaalsContact O-N 3.17Å; Y281-Q285 HydrophobicContact CD1-CB 4.15Å; Y281-Q285 VanDerWaalsContact CD1-CD 3.5Å; Y281-Q285 HydrophobicContact CD1-CG 3.89Å; Y281-Q285 HydrophobicContact CD2-CB 4.24Å; Y281-Q285 HydrophobicContact CG-CB 3.88Å; Y281-Q285 HydrophobicContact CG-CG 4Å; Y281-P359 HydrophobicContact CD2-CB 4.39Å; Y281-P359 HydrophobicContact CD2-CG 4Å; Y281-P359 HydrophobicContact CE2-CB 3.87Å; Y281-P359 HydrophobicContact CE2-CG 3.97Å
282Q86.3Confident93.4Very high116 Ų11650.1 Ų50.154%0.54225%0.245SC..SBendtrans-124.5106.4177.4-62.4-168.912.600111.6K175 D280K175-Q282 WeakPolarHBondContact CE-O 3.31Å; D280-Q282 PolarHBondContact O-N 3.27Å; D280-Q282 PolarHBondContact OD2-NE2 3.48Å
283P89.8Confident93.6Very high54 Ų5442.9 Ų42.935%0.35122%0.221SC..SBendcis-72.1161.13.532.2-37.7000113.2P173 Y281 Q285 T302P173-P283 HydrophobicContact CG-CG 4Å; Y281-P283 CarbonylContact C-O 3.55Å; Y281-P283 CarbonylContact O-C 3.58Å; P283-Q285 PolarHBondContact O-N 3.04Å; P283-T302 HydrophobicContact CG-CG2 3.89Å
284P91.4Very high93.6Very high83 Ų8352.4 Ų52.454%0.53926%0.256SS..PPolyproline II helixtrans-53.1125.7-179-30.236.8000113.6Y281 F286Y281-P284 VanDerWaalsContact O-CA 3.29Å; Y281-P284 WeakPolarHBondContact O-CA 3.39Å; Y281-P284 VanDerWaalsContact O-N 3.17Å; P284-F286 HydrophobicContact CB-CE2 3.97Å; P284-F286 HydrophobicContact CB-CZ 4.09Å; P284-F286 WeakPolarHBondContact O-CE2 3.29Å
285Q93.4Very high93.6Very high20 Ų2052.4 Ų52.49%0.09326%0.255CS..EExtended strand (participates in β ladder)trans-95.9154.7167.4-61.9-172.931.400109.6Y281 P283 T300 Q301 T302 P359 E386Y281-Q285 HydrophobicContact CD1-CB 4.15Å; Y281-Q285 VanDerWaalsContact CD1-CD 3.5Å; Y281-Q285 HydrophobicContact CD1-CG 3.89Å; Y281-Q285 HydrophobicContact CD2-CB 4.24Å; Y281-Q285 HydrophobicContact CG-CB 3.88Å; Y281-Q285 HydrophobicContact CG-CG 4Å; P283-Q285 PolarHBondContact O-N 3.04Å; Q285-T300 HydrophobicContact CB-CG2 4.06Å; Q285-Q301 CarbonylContact C-O 3.52Å; Q285-Q301 WeakPolarHBondContact CA-O 3.5Å; Q285-T302 HydrophobicContact CG-CG2 3.95Å; Q285-P359 WeakPolarHBondContact O-CD 3.37Å; Q285-P359 WeakPolarHBondContact O-CG 3.37Å; Q285-E386 PolarHBondContact NE2-OE1 3.42Å; Q285-E386 PolarHBondContact NE2-OE2 3.48Å
286F94.8Very high93.5Very high61 Ų6153.8 Ų53.827%0.26826%0.262SS..EExtended strand (participates in β ladder)trans-134.2141.7-176.8-62-91.6000109P284 T300 Q301 R303 L356 L357P284-F286 HydrophobicContact CB-CE2 3.97Å; P284-F286 HydrophobicContact CB-CZ 4.09Å; P284-F286 WeakPolarHBondContact O-CE2 3.29Å; F286-T300 VanDerWaalsContact O-CA 3.28Å; F286-T300 WeakPolarHBondContact O-CA 3.06Å; F286-Q301 PolarHBondContact N-O 2.69Å; F286-Q301 PolarHBondContact O-N 2.87Å; F286-R303 HydrophobicContact CD2-CB 4.39Å; F286-R303 HydrophobicContact CE2-CB 4.25Å; F286-L356 HydrophobicContact CB-CB 3.96Å; F286-L356 HydrophobicContact CB-CD1 4.47Å; F286-L356 HydrophobicContact CB-CD2 3.91Å; F286-L356 HydrophobicContact CB-CG 4.31Å; F286-L356 HydrophobicContact CD1-CB 3.92Å; F286-L356 HydrophobicContact CD1-CD1 4.5Å; F286-L356 HydrophobicContact CD2-CD1 4.33Å; F286-L356 HydrophobicContact CG-CB 4.05Å; F286-L356 HydrophobicContact CG-CD1 4.18Å; F286-L356 HydrophobicContact CG-CD2 4.5Å; F286-L356 HydrophobicContact CG-CG 4.46Å; F286-L357 CarbonylContact C-O 3.54Å; F286-L357 WeakPolarHBondContact CA-O 3.4Å
287K95.8Very high93.4Very high43 Ų4355.1 Ų55.119%0.18729%0.286CS..EExtended strand (participates in β ladder)trans-77.5135.6167.9167.9170.2165.5173.50108.8L357 P358 D360K287-L357 HydrophobicContact CB-CB 4.22Å; K287-L357 HydrophobicContact CG-CB 4.39Å; K287-L357 PolarHBondContact N-O 3.02Å; K287-L357 PolarHBondContact O-N 3.28Å; K287-P358 WeakPolarHBondContact CB-O 3.46Å; K287-D360 WeakPolarHBondContact CD-OD1 3.26Å; K287-D360 WeakPolarHBondContact CD-OD2 3.46Å; K287-D360 WeakPolarHBondContact CE-OD2 3.37Å; K287-D360 IonicContact NZ-OD1 2.83Å; K287-D360 PolarHBondContact NZ-OD1 2.88Å; K287-D360 IonicContact NZ-OD2 2.68Å; K287-D360 PolarHBondContact NZ-OD2 3.48Å
288L95.9Very high93.3Very high1 Ų156.9 Ų56.91%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-84.4147.4177.5-73.8157.8000111.1L292 A293 L296 I298 H299 I306 L356L288-L292 HydrophobicContact CD2-CD2 3.55Å; L288-L292 HydrophobicContact CD2-CG 3.93Å; L288-A293 HydrophobicContact CB-CB 3.77Å; L288-L296 HydrophobicContact CD1-CD1 4.42Å; L288-I298 HydrophobicContact CD1-CB 3.79Å; L288-I298 HydrophobicContact CD1-CG2 3.66Å; L288-I298 WeakPolarHBondContact CD1-O 3.43Å; L288-H299 PolarHBondContact N-O 2.9Å; L288-I306 HydrophobicContact CD1-CD1 4.31Å; L288-I306 HydrophobicContact CD1-CG1 4.2Å; L288-I306 HydrophobicContact CD2-CD1 3.94Å; L288-I306 HydrophobicContact CD2-CG1 4.23Å; L288-I306 HydrophobicContact CD2-CG2 3.77Å; L288-I306 HydrophobicContact CG-CD1 4.09Å; L288-I306 HydrophobicContact CG-CG1 4.47Å; L288-L356 HydrophobicContact CD2-CD2 3.84Å
289D94.9Very high93.3Very high37 Ų3758.9 Ų58.920%0.19830%0.304CS..PPolyproline II helixtrans-46.9136.2161.8165.8-91.1000110.4R291 L292 A293 L355D289-R291 PolarHBondContact O-N 3.38Å; D289-R291 WeakPolarHBondContact OD1-CA 3.4Å; D289-R291 WeakPolarHBondContact OD1-CB 3.4Å; D289-R291 WeakPolarHBondContact OD1-CG 3.37Å; D289-R291 PolarHBondContact OD1-N 3.05Å; D289-L292 HydrophobicContact CB-CB 4.37Å; D289-L292 PolarHBondContact O-N 3.04Å; D289-L292 VanDerWaalsContact O-N 3.14Å; D289-L292 PolarHBondContact OD1-N 3.05Å; D289-A293 VanDerWaalsContact O-CB 3.27Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.06Å; D289-L355 HydrophobicContact CB-CB 4.28Å; D289-L355 HydrophobicContact CB-CD2 4.1Å; D289-L355 PolarHBondContact N-O 2.89Å; D289-L355 VanDerWaalsContact N-O 3.1Å
290P94.5Very high93.2Very high79 Ų7959.4 Ų59.451%0.51331%0.308SS..Hα-helixtrans-56.7-25-174-2936.4000116R294P290-R294 WeakPolarHBondContact O-CB 3.44Å; P290-R294 PolarHBondContact O-N 2.84Å
291R93.9Very high93.3Very high116 Ų11660.3 Ų60.344%0.43831%0.311SS..Hα-helixtrans-80.6-46.3-179.5-47.9160.373.8-149.73.8109.3D289 R294 L295 Q336 I337D289-R291 PolarHBondContact O-N 3.38Å; D289-R291 WeakPolarHBondContact OD1-CA 3.4Å; D289-R291 WeakPolarHBondContact OD1-CB 3.4Å; D289-R291 WeakPolarHBondContact OD1-CG 3.37Å; D289-R291 PolarHBondContact OD1-N 3.05Å; R291-R294 PolarHBondContact O-N 3.23Å; R291-L295 PolarHBondContact O-N 3.47Å; R291-L295 VanDerWaalsContact O-N 3.11Å; R291-Q336 PolarHBondContact NH1-O 3.26Å; R291-Q336 PolarHBondContact NH2-O 3.25Å; R291-I337 HydrophobicContact CB-CD1 4.49Å; R291-I337 HydrophobicContact CB-CG1 4.07Å
292L94.3Very high93.5Very high0 Ų058.4 Ų58.40%031%0.305CS..Hα-helixtrans-65.8-39.2173.4-178.459.6000112.1L288 D289 R294 L295 L296 L310 I337 L352 L355L288-L292 HydrophobicContact CD2-CD2 3.55Å; L288-L292 HydrophobicContact CD2-CG 3.93Å; D289-L292 HydrophobicContact CB-CB 4.37Å; D289-L292 PolarHBondContact O-N 3.04Å; D289-L292 VanDerWaalsContact O-N 3.14Å; D289-L292 PolarHBondContact OD1-N 3.05Å; L292-R294 PolarHBondContact O-N 3.27Å; L292-L295 PolarHBondContact O-N 2.95Å; L292-L296 HydrophobicContact CD1-CD1 3.8Å; L292-L296 HydrophobicContact CD1-CG 3.93Å; L292-L296 HydrophobicContact CG-CD1 4.06Å; L292-L296 HydrophobicContact CG-CG 4.47Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 2.93Å; L292-L310 HydrophobicContact CD1-CD2 3.93Å; L292-I337 HydrophobicContact CB-CD1 4.27Å; L292-I337 HydrophobicContact CB-CG2 4.18Å; L292-I337 HydrophobicContact CD1-CD1 4.31Å; L292-I337 HydrophobicContact CD1-CG2 4.3Å; L292-L352 HydrophobicContact CD2-CD1 3.65Å; L292-L355 HydrophobicContact CD2-CB 4.04Å; L292-L355 HydrophobicContact CD2-CD1 4.09Å
293A94.9Very high93.8Very high12 Ų1257.3 Ų57.310%0.09930%0.296CS..Hα-helixtrans-58.6-47.6176.400000111.8L288 D289 L295 L296 G297 I298L288-A293 HydrophobicContact CB-CB 3.77Å; D289-A293 VanDerWaalsContact O-CB 3.27Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.06Å; A293-L295 VanDerWaalsContact C-N 3.34Å; A293-L295 PolarHBondContact O-N 3.36Å; A293-L296 PolarHBondContact O-N 3.32Å; A293-G297 PolarHBondContact O-N 2.7Å; A293-I298 CarbonylContact C-O 3.59Å; A293-I298 WeakPolarHBondContact CA-O 3.41Å; A293-I298 WeakPolarHBondContact CB-O 3.35Å; A293-I298 PolarHBondContact O-N 3.41Å; A293-I298 VanDerWaalsContact O-N 3.14Å
294R94.4Very high93.9Very high204 Ų20458.2 Ų58.277%0.7730%0.304SS*.Hα-helixtrans-64.1-37176.3-173.2-179.6-63.7134.62.1112.4P290 R291 L292P290-R294 WeakPolarHBondContact O-CB 3.44Å; P290-R294 PolarHBondContact O-N 2.84Å; R291-R294 PolarHBondContact O-N 3.23Å; L292-R294 PolarHBondContact O-N 3.27Å
295L93.8Very high93.9Very high35 Ų3556.5 Ų56.518%0.18329%0.293CS..Hα-helixtrans-70-38.8-180-168.266.3000112.9R291 L292 A293 Y313 Y333 F334 I337R291-L295 PolarHBondContact O-N 3.47Å; R291-L295 VanDerWaalsContact O-N 3.11Å; L292-L295 PolarHBondContact O-N 2.95Å; A293-L295 VanDerWaalsContact C-N 3.34Å; A293-L295 PolarHBondContact O-N 3.36Å; L295-Y313 HydrophobicContact CD1-CD2 4.49Å; L295-Y313 HydrophobicContact CD1-CE2 3.57Å; L295-Y313 HydrophobicContact CD2-CE1 4.28Å; L295-Y313 HydrophobicContact CD2-CE2 4.23Å; L295-Y313 HydrophobicContact CG-CD2 4.21Å; L295-Y313 HydrophobicContact CG-CE2 3.74Å; L295-Y333 HydrophobicContact CD1-CD1 4.5Å; L295-Y333 HydrophobicContact CD1-CD2 4.2Å; L295-Y333 HydrophobicContact CD1-CG 3.88Å; L295-F334 HydrophobicContact CD2-CD1 3.73Å; L295-F334 HydrophobicContact CD2-CE1 3.78Å; L295-I337 HydrophobicContact CB-CD1 4.19Å; L295-I337 HydrophobicContact CD2-CD1 3.67Å
296L94.2Very high94Very high28 Ų2855.6 Ų55.615%0.14729%0.289CS..Hα-helixtrans-87.7-16-179-61.6-179000113.8L288 L292 A293 I298 I306 A309 L310L288-L296 HydrophobicContact CD1-CD1 4.42Å; L292-L296 HydrophobicContact CD1-CD1 3.8Å; L292-L296 HydrophobicContact CD1-CG 3.93Å; L292-L296 HydrophobicContact CG-CD1 4.06Å; L292-L296 HydrophobicContact CG-CG 4.47Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 2.93Å; A293-L296 PolarHBondContact O-N 3.32Å; L296-I298 VanDerWaalsContact C-N 3.29Å; L296-I298 HydrophobicContact CB-CB 4.27Å; L296-I298 HydrophobicContact CB-CD1 4.27Å; L296-I298 HydrophobicContact CB-CG1 4.21Å; L296-I306 HydrophobicContact CD1-CG2 4.26Å; L296-A309 HydrophobicContact CD1-CB 4.28Å; L296-A309 HydrophobicContact CD2-CB 4.18Å; L296-L310 HydrophobicContact CD1-CG 4.12Å; L296-L310 HydrophobicContact CD2-CD2 4.17Å; L296-L310 HydrophobicContact CD2-CG 4.17Å
297G93.3Very high93.9Very high72 Ų7254.6 Ų54.674%0.74229%0.286SS*.THydrogen-bonded Turntrans70.324.8-17000000113.3A293A293-G297 PolarHBondContact O-N 2.7Å
298I93.3Very high93.8Very high38 Ų3858.3 Ų58.320%0.19530%0.304CS..  trans-128.4130.6-173.7-60.1176.1000108.6L288 A293 L296 Q301 A309L288-I298 HydrophobicContact CD1-CB 3.79Å; L288-I298 HydrophobicContact CD1-CG2 3.66Å; L288-I298 WeakPolarHBondContact CD1-O 3.43Å; A293-I298 CarbonylContact C-O 3.59Å; A293-I298 WeakPolarHBondContact CA-O 3.41Å; A293-I298 WeakPolarHBondContact CB-O 3.35Å; A293-I298 PolarHBondContact O-N 3.41Å; A293-I298 VanDerWaalsContact O-N 3.14Å; L296-I298 VanDerWaalsContact C-N 3.29Å; L296-I298 HydrophobicContact CB-CB 4.27Å; L296-I298 HydrophobicContact CB-CD1 4.27Å; L296-I298 HydrophobicContact CB-CG1 4.21Å; I298-Q301 HydrophobicContact CG2-CB 3.63Å; I298-Q301 HydrophobicContact CG2-CG 3.45Å; I298-Q301 VanDerWaalsContact CG2-CG 3.45Å; I298-A309 HydrophobicContact CD1-CB 3.46Å; I298-A309 VanDerWaalsContact CD1-CB 3.46Å
299H93.6Very high93.8Very high108 Ų10859.2 Ų59.250%0.531%0.312SS..SBendtrans-94.7-54.6176.2-176.435.5000112.7L288L288-H299 PolarHBondContact N-O 2.9Å
300T93.4Very high93.7Very high35 Ų3557.6 Ų57.622%0.21530%0.303CS..EExtended strand (participates in β ladder)trans-135126.5-178-59.50000109.4Q285 F286 P359Q285-T300 HydrophobicContact CB-CG2 4.06Å; F286-T300 VanDerWaalsContact O-CA 3.28Å; F286-T300 WeakPolarHBondContact O-CA 3.06Å; T300-P359 HydrophobicContact CG2-CB 4.21Å; T300-P359 HydrophobicContact CG2-CG 4.24Å
301Q93.4Very high93.7Very high63 Ų6357.3 Ų57.329%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-158.6170.4-177.7-100.7-56.1-28.600113.3Q285 F286 I298 C305 I306Q285-Q301 CarbonylContact C-O 3.52Å; Q285-Q301 WeakPolarHBondContact CA-O 3.5Å; F286-Q301 PolarHBondContact N-O 2.69Å; F286-Q301 PolarHBondContact O-N 2.87Å; I298-Q301 HydrophobicContact CG2-CB 3.63Å; I298-Q301 HydrophobicContact CG2-CG 3.45Å; I298-Q301 VanDerWaalsContact CG2-CG 3.45Å; Q301-C305 HydrophobicContact CB-CB 4.42Å; Q301-C305 HydrophobicContact CG-CB 4.34Å; Q301-I306 HydrophobicContact CB-CD1 4.05Å; Q301-I306 HydrophobicContact CB-CG1 3.77Å; Q301-I306 WeakPolarHBondContact O-CD1 3.18Å
302T93.1Very high93.8Very high21 Ų2157.1 Ų57.113%0.12930%0.296CS..EExtended strand (participates in β ladder)trans-69.3147.8170.879.90000111.4P283 Q285 S304 C305 I306P283-T302 HydrophobicContact CG-CG2 3.89Å; Q285-T302 HydrophobicContact CG-CG2 3.95Å; T302-S304 PolarHBondContact O-N 3.42Å; T302-S304 VanDerWaalsContact O-N 3.11Å; T302-C305 PolarHBondContact O-N 3.34Å; T302-C305 VanDerWaalsContact O-N 3.09Å; T302-C305 PolarHBondContact OG1-N 2.8Å; T302-C305 PolarHBondContact OG1-SG 3.4Å; T302-I306 WeakPolarHBondContact O-CG1 3.46Å; T302-I306 PolarHBondContact O-N 3.21Å
303R92.5Very high93.8Very high94 Ų9458.8 Ų58.836%0.35530%0.303SS..Hα-helixtrans-54.1-32.7177.2-170.8175.7-167.2171.29.2113.2F286 I307 P349 L352 T353 L356F286-R303 HydrophobicContact CD2-CB 4.39Å; F286-R303 HydrophobicContact CE2-CB 4.25Å; R303-I307 HydrophobicContact CG-CD1 4.15Å; R303-I307 VanDerWaalsContact O-CG1 3.31Å; R303-I307 WeakPolarHBondContact O-CG1 3.36Å; R303-I307 PolarHBondContact O-N 3.15Å; R303-I307 VanDerWaalsContact O-N 3.1Å; R303-P349 PolarHBondContact NH2-O 3.01Å; R303-L352 HydrophobicContact CG-CD2 4.44Å; R303-T353 PolarHBondContact NH2-OG1 2.9Å; R303-L356 HydrophobicContact CB-CD1 4.33Å; R303-L356 HydrophobicContact CG-CD1 3.91Å
304S91.9Very high93.8Very high73 Ų7358.3 Ų58.351%0.5130%0.298SS..Hα-helixtrans-68.1-48.8176.9-171.50000111.9T302 I306 I307 Q308T302-S304 PolarHBondContact O-N 3.42Å; T302-S304 VanDerWaalsContact O-N 3.11Å; S304-I306 VanDerWaalsContact C-N 3.29Å; S304-I306 PolarHBondContact O-N 2.81Å; S304-I307 PolarHBondContact O-N 3.43Å; S304-Q308 WeakPolarHBondContact O-CG 3.39Å; S304-Q308 PolarHBondContact O-N 3.03Å
305C92.8Very high93.8Very high47 Ų4753.9 Ų53.932%0.31829%0.285SS..Hα-helixtrans-63-35.9177-63.30000112Q301 T302 Q308 A309Q301-C305 HydrophobicContact CB-CB 4.42Å; Q301-C305 HydrophobicContact CG-CB 4.34Å; T302-C305 PolarHBondContact O-N 3.34Å; T302-C305 VanDerWaalsContact O-N 3.09Å; T302-C305 PolarHBondContact OG1-N 2.8Å; T302-C305 PolarHBondContact OG1-SG 3.4Å; C305-Q308 PolarHBondContact O-N 2.92Å; C305-A309 WeakPolarHBondContact O-CB 3.18Å; C305-A309 PolarHBondContact O-N 2.81Å
306I94.8Very high93.9Very high0 Ų056.5 Ų56.50%030%0.302CS..Hα-helixtrans-65-45.3176.2-66.9165.1000111.3L288 L296 Q301 T302 S304 Q308 A309 L310 L352 L356L288-I306 HydrophobicContact CD1-CD1 4.31Å; L288-I306 HydrophobicContact CD1-CG1 4.2Å; L288-I306 HydrophobicContact CD2-CD1 3.94Å; L288-I306 HydrophobicContact CD2-CG1 4.23Å; L288-I306 HydrophobicContact CD2-CG2 3.77Å; L288-I306 HydrophobicContact CG-CD1 4.09Å; L288-I306 HydrophobicContact CG-CG1 4.47Å; L296-I306 HydrophobicContact CD1-CG2 4.26Å; Q301-I306 HydrophobicContact CB-CD1 4.05Å; Q301-I306 HydrophobicContact CB-CG1 3.77Å; Q301-I306 WeakPolarHBondContact O-CD1 3.18Å; T302-I306 WeakPolarHBondContact O-CG1 3.46Å; T302-I306 PolarHBondContact O-N 3.21Å; S304-I306 VanDerWaalsContact C-N 3.29Å; S304-I306 PolarHBondContact O-N 2.81Å; I306-Q308 VanDerWaalsContact C-N 3.32Å; I306-Q308 PolarHBondContact O-N 2.9Å; I306-A309 PolarHBondContact O-N 3.02Å; I306-L310 HydrophobicContact CG2-CD1 4.32Å; I306-L310 PolarHBondContact O-N 3.09Å; I306-L352 HydrophobicContact CG2-CD1 3.95Å; I306-L352 HydrophobicContact CG2-CD2 3.79Å; I306-L352 HydrophobicContact CG2-CG 4.48Å; I306-L356 HydrophobicContact CD1-CD2 3.65Å; I306-L356 HydrophobicContact CG2-CD2 4.48Å
307I93.8Very high93.9Very high41 Ų4158.8 Ų58.821%0.2132%0.315CS..Hα-helixtrans-64.6-37.2175.5-69.2167.4000111.1R303 S304 W311 P349 L352R303-I307 HydrophobicContact CG-CD1 4.15Å; R303-I307 VanDerWaalsContact O-CG1 3.31Å; R303-I307 WeakPolarHBondContact O-CG1 3.36Å; R303-I307 PolarHBondContact O-N 3.15Å; R303-I307 VanDerWaalsContact O-N 3.1Å; S304-I307 PolarHBondContact O-N 3.43Å; I307-W311 WeakPolarHBondContact O-CB 3.42Å; I307-W311 PolarHBondContact O-N 3.44Å; I307-P349 HydrophobicContact CD1-CG 4.44Å; I307-L352 HydrophobicContact CD1-CD2 4.32Å; I307-L352 HydrophobicContact CG1-CD2 3.73Å
308Q93.5Very high94Very high120 Ų12064.2 Ų64.256%0.56132%0.318SS*.Hα-helixtrans-64.9-39.6174-71172.28.500112.4S304 C305 I306 W311 Q312S304-Q308 WeakPolarHBondContact O-CG 3.39Å; S304-Q308 PolarHBondContact O-N 3.03Å; C305-Q308 PolarHBondContact O-N 2.92Å; I306-Q308 VanDerWaalsContact C-N 3.32Å; I306-Q308 PolarHBondContact O-N 2.9Å; Q308-W311 PolarHBondContact O-N 3.15Å; Q308-Q312 WeakPolarHBondContact O-CB 3.36Å; Q308-Q312 PolarHBondContact O-N 3.48Å
309A94.7Very high94.1Very high21 Ų2163.5 Ų63.517%0.17431%0.314CS..Hα-helixtrans-67.6-43.617600000112.3L296 I298 C305 I306 W311 Q312 Y313L296-A309 HydrophobicContact CD1-CB 4.28Å; L296-A309 HydrophobicContact CD2-CB 4.18Å; I298-A309 HydrophobicContact CD1-CB 3.46Å; I298-A309 VanDerWaalsContact CD1-CB 3.46Å; C305-A309 WeakPolarHBondContact O-CB 3.18Å; C305-A309 PolarHBondContact O-N 2.81Å; I306-A309 PolarHBondContact O-N 3.02Å; A309-W311 VanDerWaalsContact C-N 3.3Å; A309-W311 PolarHBondContact O-N 3.22Å; A309-Q312 PolarHBondContact O-N 2.74Å; A309-Y313 PolarHBondContact O-N 3.45Å
310L94.3Very high94.2Very high3 Ų361.9 Ų61.92%0.01631%0.307CS..Hα-helixtrans-55.3-45.8170.4-83164000111.6L292 L296 I306 Y313 V314 F334 F338 I348 L352L292-L310 HydrophobicContact CD1-CD2 3.93Å; L296-L310 HydrophobicContact CD1-CG 4.12Å; L296-L310 HydrophobicContact CD2-CD2 4.17Å; L296-L310 HydrophobicContact CD2-CG 4.17Å; I306-L310 HydrophobicContact CG2-CD1 4.32Å; I306-L310 PolarHBondContact O-N 3.09Å; L310-Y313 WeakPolarHBondContact O-CB 3.33Å; L310-Y313 PolarHBondContact O-N 3.27Å; L310-V314 WeakPolarHBondContact O-CG2 3.46Å; L310-V314 PolarHBondContact O-N 3.23Å; L310-F334 HydrophobicContact CD2-CE1 4.04Å; L310-F334 HydrophobicContact CD2-CE2 4.37Å; L310-F334 HydrophobicContact CD2-CZ 3.59Å; L310-F338 HydrophobicContact CD1-CZ 4.33Å; L310-F338 HydrophobicContact CD2-CE2 4.04Å; L310-F338 HydrophobicContact CD2-CZ 3.91Å; L310-I348 HydrophobicContact CD1-CG2 3.95Å; L310-L352 HydrophobicContact CD1-CD1 4.25Å; L310-L352 HydrophobicContact CD1-CD2 4.27Å
311W94.2Very high94.3Very high73 Ų7361.3 Ų61.328%0.27730%0.302SS..Hα-helixtrans-67.1-36.2178.6-175.5-139000112.8I307 Q308 A309 V314 K315 F345I307-W311 WeakPolarHBondContact O-CB 3.42Å; I307-W311 PolarHBondContact O-N 3.44Å; Q308-W311 PolarHBondContact O-N 3.15Å; A309-W311 VanDerWaalsContact C-N 3.3Å; A309-W311 PolarHBondContact O-N 3.22Å; W311-V314 HydrophobicContact CE3-CB 4.09Å; W311-V314 HydrophobicContact CE3-CG1 3.85Å; W311-V314 HydrophobicContact CZ3-CB 4.46Å; W311-V314 HydrophobicContact CZ3-CG1 3.73Å; W311-V314 PolarHBondContact O-N 3.49Å; W311-K315 VanDerWaalsContact CE2-CE 3.45Å; W311-K315 WeakPolarHBondContact O-CG 3.4Å; W311-K315 PolarHBondContact O-N 3.03Å; W311-F345 AromaticContact CD2-CE2 3.97Å; W311-F345 HydrophobicContact CD2-CE2 3.97Å; W311-F345 HydrophobicContact CE3-CD2 4.17Å; W311-F345 AromaticContact CE3-CE2 3.79Å; W311-F345 HydrophobicContact CE3-CE2 3.79Å; W311-F345 HydrophobicContact CG-CE2 4.35Å; W311-F345 HydrophobicContact CZ3-CD2 4.29Å; W311-F345 HydrophobicContact CZ3-CE2 4.29Å
312Q94.9Very high94.3Very high112 Ų11262.7 Ų62.752%0.52332%0.319SS..Hα-helixtrans-66.6-39.2173.4-175.557.632.600111.7Q308 A309 K315 T316Q308-Q312 WeakPolarHBondContact O-CB 3.36Å; Q308-Q312 PolarHBondContact O-N 3.48Å; A309-Q312 PolarHBondContact O-N 2.74Å; Q312-K315 PolarHBondContact O-N 2.95Å; Q312-T316 PolarHBondContact NE2-OG1 3.28Å; Q312-T316 WeakPolarHBondContact O-CB 3.45Å; Q312-T316 PolarHBondContact O-N 2.91Å; Q312-T316 PolarHBondContact O-OG1 2.92Å
313Y94.9Very high94.4Very high35 Ų3570 Ų7014%0.13735%0.352CS..Hα-helixtrans-60.8-49.5173.1-175.1-85.9000111.4L295 A309 L310 K315 T316 N317 L319 D331 Y333 F334L295-Y313 HydrophobicContact CD1-CD2 4.49Å; L295-Y313 HydrophobicContact CD1-CE2 3.57Å; L295-Y313 HydrophobicContact CD2-CE1 4.28Å; L295-Y313 HydrophobicContact CD2-CE2 4.23Å; L295-Y313 HydrophobicContact CG-CD2 4.21Å; L295-Y313 HydrophobicContact CG-CE2 3.74Å; A309-Y313 PolarHBondContact O-N 3.45Å; L310-Y313 WeakPolarHBondContact O-CB 3.33Å; L310-Y313 PolarHBondContact O-N 3.27Å; Y313-K315 VanDerWaalsContact C-N 3.32Å; Y313-K315 PolarHBondContact O-N 3.17Å; Y313-T316 PolarHBondContact O-N 2.96Å; Y313-N317 WeakPolarHBondContact CD2-ND2 3.36Å; Y313-N317 VanDerWaalsContact CE1-ND2 3.32Å; Y313-N317 WeakPolarHBondContact CE1-ND2 3.45Å; Y313-N317 WeakPolarHBondContact CE2-ND2 3.41Å; Y313-N317 PolarHBondContact O-N 3.44Å; Y313-N317 PolarHBondContact O-ND2 3.18Å; Y313-L319 HydrophobicContact CD1-CD1 4.09Å; Y313-L319 HydrophobicContact CE1-CD1 3.8Å; Y313-D331 WeakPolarHBondContact CE1-OD2 3.36Å; Y313-D331 PolarHBondContact OH-OD2 2.85Å; Y313-Y333 WeakPolarHBondContact OH-CD2 3.42Å; Y313-F334 AromaticContact CD1-CD1 3.97Å; Y313-F334 HydrophobicContact CD1-CD1 3.97Å; Y313-F334 AromaticContact CD1-CE1 3.25Å; Y313-F334 HydrophobicContact CD1-CE1 3.25Å; Y313-F334 AromaticContact CD1-CZ 3.74Å; Y313-F334 HydrophobicContact CD1-CZ 3.74Å; Y313-F334 AromaticContact CE1-CD1 3.74Å; Y313-F334 HydrophobicContact CE1-CD1 3.74Å; Y313-F334 AromaticContact CE1-CE1 3.51Å; Y313-F334 HydrophobicContact CE1-CE1 3.51Å; Y313-F334 HydrophobicContact CE1-CZ 4.34Å; Y313-F334 HydrophobicContact CG-CE1 4.08Å
314V94.6Very high94.5Very high1 Ų168.4 Ų68.41%0.00635%0.35CS..Hα-helixtrans-56.2-43.8177.1166.60000111.9L310 W311 K318 L319 Q320 I328 F334L310-V314 WeakPolarHBondContact O-CG2 3.46Å; L310-V314 PolarHBondContact O-N 3.23Å; W311-V314 HydrophobicContact CE3-CB 4.09Å; W311-V314 HydrophobicContact CE3-CG1 3.85Å; W311-V314 HydrophobicContact CZ3-CB 4.46Å; W311-V314 HydrophobicContact CZ3-CG1 3.73Å; W311-V314 PolarHBondContact O-N 3.49Å; V314-K318 WeakPolarHBondContact O-CA 3.49Å; V314-K318 PolarHBondContact O-N 3Å; V314-K318 VanDerWaalsContact O-N 3.08Å; V314-L319 HydrophobicContact CG1-CB 4.27Å; V314-L319 PolarHBondContact O-N 3.37Å; V314-Q320 HydrophobicContact CG1-CB 4.26Å; V314-I328 HydrophobicContact CG1-CD1 4.21Å; V314-I328 HydrophobicContact CG1-CG1 3.96Å; V314-I328 HydrophobicContact CG1-CG2 4.29Å; V314-I328 HydrophobicContact CG2-CD1 3.91Å; V314-I328 HydrophobicContact CG2-CG1 4.34Å; V314-I328 HydrophobicContact CG2-CG2 3.97Å; V314-F334 HydrophobicContact CG2-CE2 3.56Å; V314-F334 HydrophobicContact CG2-CZ 3.74Å
315K94.7Very high94.5Very high112 Ų11272 Ų7249%0.48736%0.356SS..Hα-helixtrans-66.5-45.9175.5-76.3-176.6177.1-177.90113W311 Q312 Y313 N317 K318W311-K315 VanDerWaalsContact CE2-CE 3.45Å; W311-K315 WeakPolarHBondContact O-CG 3.4Å; W311-K315 PolarHBondContact O-N 3.03Å; Q312-K315 PolarHBondContact O-N 2.95Å; Y313-K315 VanDerWaalsContact C-N 3.32Å; Y313-K315 PolarHBondContact O-N 3.17Å; K315-N317 VanDerWaalsContact C-N 3.33Å; K315-N317 PolarHBondContact O-N 2.92Å; K315-K318 PolarHBondContact O-N 3.35Å; K315-K318 VanDerWaalsContact O-N 3.17Å
316T95.7Very high94.6Very high90 Ų9074.9 Ų74.955%0.55237%0.365SS*.Hα-helixtrans-63.2-42.6-175.3-55.10000110.8Q312 Y313 K318Q312-T316 PolarHBondContact NE2-OG1 3.28Å; Q312-T316 WeakPolarHBondContact O-CB 3.45Å; Q312-T316 PolarHBondContact O-N 2.91Å; Q312-T316 PolarHBondContact O-OG1 2.92Å; Y313-T316 PolarHBondContact O-N 2.96Å; T316-K318 VanDerWaalsContact C-N 3.34Å
317N95.1Very high94.6Very high76 Ų7678 Ų7841%0.40638%0.378SS..THydrogen-bonded Turntrans-89.65.8178.1-61.3-57.5000113.8Y313 K315 L319Y313-N317 WeakPolarHBondContact CD2-ND2 3.36Å; Y313-N317 VanDerWaalsContact CE1-ND2 3.32Å; Y313-N317 WeakPolarHBondContact CE1-ND2 3.45Å; Y313-N317 WeakPolarHBondContact CE2-ND2 3.41Å; Y313-N317 PolarHBondContact O-N 3.44Å; Y313-N317 PolarHBondContact O-ND2 3.18Å; K315-N317 VanDerWaalsContact C-N 3.33Å; K315-N317 PolarHBondContact O-N 2.92Å; N317-L319 VanDerWaalsContact C-N 3.28Å; N317-L319 HydrophobicContact CB-CD1 4.13Å; N317-L319 HydrophobicContact CB-CD2 4.12Å; N317-L319 HydrophobicContact CB-CG 3.8Å; N317-L319 PolarHBondContact O-N 3.48Å
318K95.3Very high94.7Very high185 Ų18576.2 Ų76.280%0.80437%0.368SS*.THydrogen-bonded Turntrans52.738.9179.1-55.6178.2-176.5174.40114.3V314 K315 T316 Q320V314-K318 WeakPolarHBondContact O-CA 3.49Å; V314-K318 PolarHBondContact O-N 3Å; V314-K318 VanDerWaalsContact O-N 3.08Å; K315-K318 PolarHBondContact O-N 3.35Å; K315-K318 VanDerWaalsContact O-N 3.17Å; T316-K318 VanDerWaalsContact C-N 3.34Å; K318-Q320 VanDerWaalsContact C-N 3.34Å; K318-Q320 PolarHBondContact O-N 3.33Å
319L94.9Very high94.8Very high23 Ų2373.5 Ų73.512%0.1236%0.358CS..  trans-81.2-8.9-174.9-56.9-179.7000114.2Y313 V314 N317 I328 N329 D331Y313-L319 HydrophobicContact CD1-CD1 4.09Å; Y313-L319 HydrophobicContact CE1-CD1 3.8Å; V314-L319 HydrophobicContact CG1-CB 4.27Å; V314-L319 PolarHBondContact O-N 3.37Å; N317-L319 VanDerWaalsContact C-N 3.28Å; N317-L319 HydrophobicContact CB-CD1 4.13Å; N317-L319 HydrophobicContact CB-CD2 4.12Å; N317-L319 HydrophobicContact CB-CG 3.8Å; N317-L319 PolarHBondContact O-N 3.48Å; L319-I328 HydrophobicContact CB-CG2 3.86Å; L319-I328 CarbonylContact O-C 3.56Å; L319-I328 WeakPolarHBondContact O-CA 3.35Å; L319-N329 PolarHBondContact O-N 2.87Å; L319-D331 HydrophobicContact CD1-CB 4.23Å; L319-D331 WeakPolarHBondContact CD1-OD2 3.5Å; L319-D331 HydrophobicContact CD2-CB 3.95Å
320Q95.8Very high94.8Very high75 Ų7572.9 Ų72.935%0.3535%0.352SS..BIsolated β-bridgetrans-69.7133.3172-173.9175.128.400109.8V314 K318 K325V314-Q320 HydrophobicContact CG1-CB 4.26Å; K318-Q320 VanDerWaalsContact C-N 3.34Å; K318-Q320 PolarHBondContact O-N 3.33Å; Q320-K325 PolarHBondContact NE2-O 2.76Å
321D94.9Very high94.8Very high22 Ų2274.3 Ų74.312%0.11836%0.36CS..  trans-64.6139.6-179.6-168-66.4000111.7H323 D324 Y327 N329 R342D321-H323 PolarHBondContact OD1-N 3.04Å; D321-H323 IonicContact OD1-ND1 2.72Å; D321-D324 WeakPolarHBondContact CB-O 3.36Å; D321-D324 PolarHBondContact OD1-N 2.84Å; D321-Y327 PolarHBondContact N-O 3.22Å; D321-N329 PolarHBondContact OD2-ND2 3.4Å; D321-N329 PolarHBondContact OD2-OD1 3.46Å; D321-R342 VanDerWaalsContact CG-NH2 3.26Å; D321-R342 IonicContact OD1-NH2 2.66Å; D321-R342 IonicContact OD2-CZ 2.69Å; D321-R342 IonicContact OD2-NE 3.2Å; D321-R342 IonicContact OD2-NH2 3.78Å; D321-R342 PolarHBondContact OD2-NH2 3.07Å
322S94.3Very high94.8Very high93 Ų9378 Ų7865%0.6538%0.377SS*.SBendtrans-75.5-26.8-17658.10000113.7
323H94.6Very high94.7Very high175 Ų17578.9 Ų78.981%0.8138%0.377SS*.SBendtrans-97-43.6-179.3-54.796.7000110.9D321D321-H323 PolarHBondContact OD1-N 3.04Å; D321-H323 IonicContact OD1-ND1 2.72Å
324D94.4Very high94.6Very high59 Ų5977.3 Ų77.332%0.31637%0.371SS..  trans-119.284.6-174.8-176.4-2.7000111.8D321 E326 Y327 R342D321-D324 WeakPolarHBondContact CB-O 3.36Å; D321-D324 PolarHBondContact OD1-N 2.84Å; D324-E326 PolarHBondContact O-N 3.27Å; D324-E326 PolarHBondContact OD1-N 3.09Å; D324-Y327 HydrophobicContact CB-CD2 4.48Å; D324-Y327 VanDerWaalsContact CG-CD2 3.47Å; D324-Y327 PolarHBondContact O-N 3.19Å; D324-Y327 WeakPolarHBondContact OD2-CD2 3.33Å; D324-Y327 WeakPolarHBondContact OD2-CE2 3.48Å; D324-R342 IonicContact OD2-NH1 2.74Å
325K92.8Very high94.6Very high148 Ų14881.5 Ų81.564%0.64339%0.39SS*.THydrogen-bonded Turntrans-63.4-6.7-172.5-67.2179.7-176173.60114.9Q320 Y327Q320-K325 PolarHBondContact NE2-O 2.76Å; K325-Y327 VanDerWaalsContact C-N 3.3Å
326E93.9Very high94.5Very high108 Ų10880.9 Ų80.951%0.50539%0.389SS..THydrogen-bonded Turntrans-77.2-18.6172.2-57.9-157.8139.400112.8D324 K344 F345D324-E326 PolarHBondContact O-N 3.27Å; D324-E326 PolarHBondContact OD1-N 3.09Å; E326-K344 HydrophobicContact CB-CG 4.38Å; E326-K344 WeakPolarHBondContact OE2-CE 3.38Å; E326-K344 IonicContact OE2-NZ 3.86Å; E326-K344 PolarHBondContact OE2-NZ 2.93Å; E326-F345 PolarHBondContact O-N 3.4Å
327Y95.1Very high94.4Very high67 Ų6777.4 Ų77.426%0.26337%0.367SS..EExtended strand (participates in β ladder)trans-107152.7-177.4-71-94.8000114.2D321 D324 K325 R342 K344D321-Y327 PolarHBondContact N-O 3.22Å; D324-Y327 HydrophobicContact CB-CD2 4.48Å; D324-Y327 VanDerWaalsContact CG-CD2 3.47Å; D324-Y327 PolarHBondContact O-N 3.19Å; D324-Y327 WeakPolarHBondContact OD2-CD2 3.33Å; D324-Y327 WeakPolarHBondContact OD2-CE2 3.48Å; K325-Y327 VanDerWaalsContact C-N 3.3Å; Y327-R342 VanDerWaalsContact CB-CZ 3.5Å; Y327-R342 HydrophobicContact CD1-CG 3.92Å; Y327-R342 VanDerWaalsContact CD2-NH1 3.29Å; Y327-R342 HydrophobicContact CG-CG 4.39Å; Y327-K344 HydrophobicContact CD1-CB 4.04Å; Y327-K344 HydrophobicContact CE1-CB 3.87Å; Y327-K344 HydrophobicContact CE1-CD 4.49Å; Y327-K344 HydrophobicContact CE1-CG 4.36Å; Y327-K344 HydrophobicContact CE2-CD 4.45Å
328I95.6Very high94.2Very high3 Ų374.3 Ų74.32%0.01535%0.35CS..EExtended strand (participates in β ladder)trans-115.7125.5172.2-62.1159.9000106.6V314 L319 C330 F334 R342 L343 F345 I348V314-I328 HydrophobicContact CG1-CD1 4.21Å; V314-I328 HydrophobicContact CG1-CG1 3.96Å; V314-I328 HydrophobicContact CG1-CG2 4.29Å; V314-I328 HydrophobicContact CG2-CD1 3.91Å; V314-I328 HydrophobicContact CG2-CG1 4.34Å; V314-I328 HydrophobicContact CG2-CG2 3.97Å; L319-I328 HydrophobicContact CB-CG2 3.86Å; L319-I328 CarbonylContact O-C 3.56Å; L319-I328 WeakPolarHBondContact O-CA 3.35Å; I328-C330 PolarHBondContact O-N 3.47Å; I328-F334 HydrophobicContact CG2-CD2 4.28Å; I328-F334 HydrophobicContact CG2-CE2 4.34Å; I328-R342 WeakPolarHBondContact O-CA 3.44Å; I328-R342 WeakPolarHBondContact O-CG 3.3Å; I328-L343 PolarHBondContact N-O 3.31Å; I328-L343 PolarHBondContact O-N 3.44Å; I328-F345 HydrophobicContact CD1-CD2 4.37Å; I328-I348 HydrophobicContact CD1-CD1 3.69Å
329N95.5Very high94Very high63 Ų6372.8 Ų72.834%0.33735%0.351SS..EExtended strand (participates in β ladder)trans-85.1109.2172.2-64.1-31.6000106.9L319 D321 D331 R342L319-N329 PolarHBondContact O-N 2.87Å; D321-N329 PolarHBondContact OD2-ND2 3.4Å; D321-N329 PolarHBondContact OD2-OD1 3.46Å; N329-D331 PolarHBondContact O-N 3.47Å; N329-R342 WeakPolarHBondContact OD1-CG 3.46Å; N329-R342 PolarHBondContact OD1-NE 2.95Å
330C94.7Very high93.9Very high8 Ų872.5 Ų72.55%0.05435%0.35CS..  trans-70.9128.6-169.9-660000110.7I328 F334 Q335 C340 P341I328-C330 PolarHBondContact O-N 3.47Å; C330-F334 HydrophobicContact CB-CB 3.71Å; C330-Q335 HydrophobicContact CB-CG 3.69Å; C330-Q335 PolarHBondContact O-NE2 2.93Å; C330-C340 VanDerWaalsContact CB-O 3.24Å; C330-C340 WeakPolarHBondContact CB-O 3.34Å; C330-C340 PolarHBondContact SG-O 2.94Å; C330-P341 WeakPolarHBondContact CB-O 3.46Å; C330-P341 PolarHBondContact N-O 3.01Å
331D94.4Very high93.7Very high33 Ų3373.6 Ų73.618%0.17636%0.364CS..  trans-75.2-178.9169.770.821.6000112.2Y313 L319 N329 Y333 F334 Q335Y313-D331 WeakPolarHBondContact CE1-OD2 3.36Å; Y313-D331 PolarHBondContact OH-OD2 2.85Å; L319-D331 HydrophobicContact CD1-CB 4.23Å; L319-D331 WeakPolarHBondContact CD1-OD2 3.5Å; L319-D331 HydrophobicContact CD2-CB 3.95Å; N329-D331 PolarHBondContact O-N 3.47Å; D331-Y333 PolarHBondContact O-N 3.46Å; D331-Y333 VanDerWaalsContact O-N 3.11Å; D331-Y333 WeakPolarHBondContact OD1-CA 3.39Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.39Å; D331-Y333 PolarHBondContact OD1-N 2.67Å; D331-F334 PolarHBondContact O-N 3.08Å; D331-F334 PolarHBondContact OD1-N 2.98Å; D331-Q335 VanDerWaalsContact O-CB 3.3Å; D331-Q335 WeakPolarHBondContact O-CB 3.37Å; D331-Q335 VanDerWaalsContact O-CG 3.23Å; D331-Q335 WeakPolarHBondContact O-CG 3.42Å; D331-Q335 PolarHBondContact O-N 3.17Å
332K94.4Very high93.7Very high150 Ų15076.9 Ų76.965%0.65238%0.375SS*.Hα-helixtrans-56-27.9-179.9-172.2174.9-178.7177.80113.7Q336K332-Q336 WeakPolarHBondContact O-CB 3.49Å; K332-Q336 VanDerWaalsContact O-CG 3.23Å; K332-Q336 WeakPolarHBondContact O-CG 3.47Å; K332-Q336 PolarHBondContact O-N 2.93Å
333Y93.9Very high93.6Very high130 Ų13072.5 Ų72.551%0.5134%0.344SS..Hα-helixtrans-88.3-41.4-179.9-54.9-69.3000111.6L295 Y313 D331 Q336 I337L295-Y333 HydrophobicContact CD1-CD1 4.5Å; L295-Y333 HydrophobicContact CD1-CD2 4.2Å; L295-Y333 HydrophobicContact CD1-CG 3.88Å; Y313-Y333 WeakPolarHBondContact OH-CD2 3.42Å; D331-Y333 PolarHBondContact O-N 3.46Å; D331-Y333 VanDerWaalsContact O-N 3.11Å; D331-Y333 WeakPolarHBondContact OD1-CA 3.39Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.39Å; D331-Y333 PolarHBondContact OD1-N 2.67Å; Y333-Q336 WeakPolarHBondContact O-CB 3.48Å; Y333-Q336 PolarHBondContact O-N 3.46Å; Y333-I337 WeakPolarHBondContact O-CD1 3.21Å; Y333-I337 WeakPolarHBondContact O-CG1 3.35Å; Y333-I337 PolarHBondContact O-N 3.22Å; Y333-I337 VanDerWaalsContact O-N 3.07Å
334F93.1Very high93.6Very high2 Ų266.7 Ų66.71%0.00932%0.317CS..Hα-helixtrans-64-43.2173.1-9542.1000111.8L295 L310 Y313 V314 I328 C330 D331 Q336 I337 F338L295-F334 HydrophobicContact CD2-CD1 3.73Å; L295-F334 HydrophobicContact CD2-CE1 3.78Å; L310-F334 HydrophobicContact CD2-CE1 4.04Å; L310-F334 HydrophobicContact CD2-CE2 4.37Å; L310-F334 HydrophobicContact CD2-CZ 3.59Å; Y313-F334 AromaticContact CD1-CD1 3.97Å; Y313-F334 HydrophobicContact CD1-CD1 3.97Å; Y313-F334 AromaticContact CD1-CE1 3.25Å; Y313-F334 HydrophobicContact CD1-CE1 3.25Å; Y313-F334 AromaticContact CD1-CZ 3.74Å; Y313-F334 HydrophobicContact CD1-CZ 3.74Å; Y313-F334 AromaticContact CE1-CD1 3.74Å; Y313-F334 HydrophobicContact CE1-CD1 3.74Å; Y313-F334 AromaticContact CE1-CE1 3.51Å; Y313-F334 HydrophobicContact CE1-CE1 3.51Å; Y313-F334 HydrophobicContact CE1-CZ 4.34Å; Y313-F334 HydrophobicContact CG-CE1 4.08Å; V314-F334 HydrophobicContact CG2-CE2 3.56Å; V314-F334 HydrophobicContact CG2-CZ 3.74Å; I328-F334 HydrophobicContact CG2-CD2 4.28Å; I328-F334 HydrophobicContact CG2-CE2 4.34Å; C330-F334 HydrophobicContact CB-CB 3.71Å; D331-F334 PolarHBondContact O-N 3.08Å; D331-F334 PolarHBondContact OD1-N 2.98Å; F334-Q336 VanDerWaalsContact C-N 3.31Å; F334-Q336 PolarHBondContact O-N 2.9Å; F334-I337 PolarHBondContact O-N 2.93Å; F334-F338 HydrophobicContact CB-CD2 4.39Å; F334-F338 HydrophobicContact CD2-CD2 4.09Å; F334-F338 HydrophobicContact CD2-CE2 4.02Å; F334-F338 HydrophobicContact CE2-CE2 4.08Å; F334-F338 HydrophobicContact CG-CD2 4.2Å; F334-F338 HydrophobicContact CG-CE2 4.24Å; F334-F338 HydrophobicContact CZ-CE2 4.35Å; F334-F338 PolarHBondContact O-N 3.19Å
335Q93.5Very high93.4Very high89 Ų8968 Ų6842%0.41632%0.319SS..Hα-helixtrans-57-46.6172.6-73.8176.72700110.8C330 D331 I337 D339C330-Q335 HydrophobicContact CB-CG 3.69Å; C330-Q335 PolarHBondContact O-NE2 2.93Å; D331-Q335 VanDerWaalsContact O-CB 3.3Å; D331-Q335 WeakPolarHBondContact O-CB 3.37Å; D331-Q335 VanDerWaalsContact O-CG 3.23Å; D331-Q335 WeakPolarHBondContact O-CG 3.42Å; D331-Q335 PolarHBondContact O-N 3.17Å; Q335-I337 VanDerWaalsContact C-N 3.29Å; Q335-I337 PolarHBondContact O-N 3.44Å; Q335-D339 VanDerWaalsContact O-CA 3.29Å; Q335-D339 WeakPolarHBondContact O-CA 3.49Å; Q335-D339 PolarHBondContact O-N 2.77Å
336Q93.3Very high93.4Very high99 Ų9964.5 Ų64.546%0.46331%0.314SS..Hα-helixtrans-59.8-35.8177.7-89.4-175.823.700113.6R291 K332 Y333 F334R291-Q336 PolarHBondContact NH1-O 3.26Å; R291-Q336 PolarHBondContact NH2-O 3.25Å; K332-Q336 WeakPolarHBondContact O-CB 3.49Å; K332-Q336 VanDerWaalsContact O-CG 3.23Å; K332-Q336 WeakPolarHBondContact O-CG 3.47Å; K332-Q336 PolarHBondContact O-N 2.93Å; Y333-Q336 WeakPolarHBondContact O-CB 3.48Å; Y333-Q336 PolarHBondContact O-N 3.46Å; F334-Q336 VanDerWaalsContact C-N 3.31Å; F334-Q336 PolarHBondContact O-N 2.9Å
337I92.8Very high93.3Very high18 Ų1862.2 Ų62.29%0.09230%0.303CS..Hα-helixtrans-89.2-41.4-174.9-72158000112.9R291 L292 L295 Y333 F334 Q335 L355R291-I337 HydrophobicContact CB-CD1 4.49Å; R291-I337 HydrophobicContact CB-CG1 4.07Å; L292-I337 HydrophobicContact CB-CD1 4.27Å; L292-I337 HydrophobicContact CB-CG2 4.18Å; L292-I337 HydrophobicContact CD1-CD1 4.31Å; L292-I337 HydrophobicContact CD1-CG2 4.3Å; L295-I337 HydrophobicContact CB-CD1 4.19Å; L295-I337 HydrophobicContact CD2-CD1 3.67Å; Y333-I337 WeakPolarHBondContact O-CD1 3.21Å; Y333-I337 WeakPolarHBondContact O-CG1 3.35Å; Y333-I337 PolarHBondContact O-N 3.22Å; Y333-I337 VanDerWaalsContact O-N 3.07Å; F334-I337 PolarHBondContact O-N 2.93Å; Q335-I337 VanDerWaalsContact C-N 3.29Å; Q335-I337 PolarHBondContact O-N 3.44Å; I337-L355 HydrophobicContact CG2-CD1 3.53Å
338F91.9Very high93.1Very high10 Ų1059.4 Ų59.44%0.04429%0.293CS..Hα-helixtrans-101.9-3.8-173.8-65.2-66.1000114.4L310 F334 C340 L343 R351 L355L310-F338 HydrophobicContact CD1-CZ 4.33Å; L310-F338 HydrophobicContact CD2-CE2 4.04Å; L310-F338 HydrophobicContact CD2-CZ 3.91Å; F334-F338 HydrophobicContact CB-CD2 4.39Å; F334-F338 HydrophobicContact CD2-CD2 4.09Å; F334-F338 HydrophobicContact CD2-CE2 4.02Å; F334-F338 HydrophobicContact CE2-CE2 4.08Å; F334-F338 HydrophobicContact CG-CD2 4.2Å; F334-F338 HydrophobicContact CG-CE2 4.24Å; F334-F338 HydrophobicContact CZ-CE2 4.35Å; F334-F338 PolarHBondContact O-N 3.19Å; F338-C340 VanDerWaalsContact C-N 3.28Å; F338-C340 PolarHBondContact O-N 3.43Å; F338-C340 PolarHBondContact O-SG 3.34Å; F338-L343 HydrophobicContact CD1-CD2 4.49Å; F338-L343 HydrophobicContact CD2-CD2 4.13Å; F338-L343 HydrophobicContact CE2-CD2 4.45Å; F338-L343 HydrophobicContact CG-CD2 4.15Å; F338-R351 HydrophobicContact CD1-CB 3.99Å; F338-R351 HydrophobicContact CE1-CB 4.29Å; F338-L355 HydrophobicContact CD1-CD1 3.96Å; F338-L355 HydrophobicContact CE1-CD1 3.69Å; F338-L355 HydrophobicContact CZ-CD1 4.48Å
339D91.2Very high92.9Very high153 Ų15361.6 Ų61.682%0.81831%0.307SS*.SBendtrans52.442.2179.6-155.931000113.6Q335Q335-D339 VanDerWaalsContact O-CA 3.29Å; Q335-D339 WeakPolarHBondContact O-CA 3.49Å; Q335-D339 PolarHBondContact O-N 2.77Å
340C91.9Very high92.7Very high17 Ų1765.5 Ų65.512%0.11532%0.323CS..  trans-151.2141.6177.354.70000112.2C330 F338C330-C340 VanDerWaalsContact CB-O 3.24Å; C330-C340 WeakPolarHBondContact CB-O 3.34Å; C330-C340 PolarHBondContact SG-O 2.94Å; F338-C340 VanDerWaalsContact C-N 3.28Å; F338-C340 PolarHBondContact O-N 3.43Å; F338-C340 PolarHBondContact O-SG 3.34Å
341P92.4Very high92.5Very high98 Ų9870.7 Ų70.764%0.63634%0.341SS*.SBendtrans-76.4-21.9177.431.4-35.6000113.3C330C330-P341 WeakPolarHBondContact CB-O 3.46Å; C330-P341 PolarHBondContact N-O 3.01Å
342R93.6Very high92.4Very high92 Ų9269.1 Ų69.135%0.34733%0.333SS..EExtended strand (participates in β ladder)trans-144.4138.7179.5-158.6178.6-162.7-128.210.4108.8D321 D324 Y327 I328 N329D321-R342 VanDerWaalsContact CG-NH2 3.26Å; D321-R342 IonicContact OD1-NH2 2.66Å; D321-R342 IonicContact OD2-CZ 2.69Å; D321-R342 IonicContact OD2-NE 3.2Å; D321-R342 IonicContact OD2-NH2 3.78Å; D321-R342 PolarHBondContact OD2-NH2 3.07Å; D324-R342 IonicContact OD2-NH1 2.74Å; Y327-R342 VanDerWaalsContact CB-CZ 3.5Å; Y327-R342 HydrophobicContact CD1-CG 3.92Å; Y327-R342 VanDerWaalsContact CD2-NH1 3.29Å; Y327-R342 HydrophobicContact CG-CG 4.39Å; I328-R342 WeakPolarHBondContact O-CA 3.44Å; I328-R342 WeakPolarHBondContact O-CG 3.3Å; N329-R342 WeakPolarHBondContact OD1-CG 3.46Å; N329-R342 PolarHBondContact OD1-NE 2.95Å
343L93.6Very high92.3Very high1 Ų165.2 Ų65.21%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-136.1132.6-173.9178.662.8000110.3I328 F338 E347 I348 R351I328-L343 PolarHBondContact N-O 3.31Å; I328-L343 PolarHBondContact O-N 3.44Å; F338-L343 HydrophobicContact CD1-CD2 4.49Å; F338-L343 HydrophobicContact CD2-CD2 4.13Å; F338-L343 HydrophobicContact CE2-CD2 4.45Å; F338-L343 HydrophobicContact CG-CD2 4.15Å; L343-E347 HydrophobicContact CD1-CB 3.77Å; L343-I348 HydrophobicContact CD2-CG1 3.97Å; L343-I348 HydrophobicContact CG-CG1 4.37Å; L343-R351 HydrophobicContact CD1-CG 4.02Å
344K94.2Very high92.2Very high53 Ų5365.9 Ų65.923%0.2333%0.334CS..EExtended strand (participates in β ladder)trans-81.9140.8174.3-166170.1176146.30111E326 Y327 S346 E347E326-K344 HydrophobicContact CB-CG 4.38Å; E326-K344 WeakPolarHBondContact OE2-CE 3.38Å; E326-K344 IonicContact OE2-NZ 3.86Å; E326-K344 PolarHBondContact OE2-NZ 2.93Å; Y327-K344 HydrophobicContact CD1-CB 4.04Å; Y327-K344 HydrophobicContact CE1-CB 3.87Å; Y327-K344 HydrophobicContact CE1-CD 4.49Å; Y327-K344 HydrophobicContact CE1-CG 4.36Å; Y327-K344 HydrophobicContact CE2-CD 4.45Å; K344-S346 WeakPolarHBondContact CD-OG 3.28Å; K344-S346 WeakPolarHBondContact CG-OG 3.39Å; K344-S346 PolarHBondContact O-N 2.69Å; K344-S346 VanDerWaalsContact O-N 3.15Å; K344-E347 HydrophobicContact CB-CG 4.2Å; K344-E347 VanDerWaalsContact CB-OE1 3.29Å; K344-E347 WeakPolarHBondContact CB-OE1 3.27Å; K344-E347 WeakPolarHBondContact O-CB 3.39Å; K344-E347 PolarHBondContact O-N 3.21Å
345F90.2Very high92.2Very high85 Ų8567 Ų6737%0.37334%0.341SS..G310 helixtrans-57.5-34.2-177.6-172.3-90.4000113.2W311 E326 I328 E347 I348W311-F345 AromaticContact CD2-CE2 3.97Å; W311-F345 HydrophobicContact CD2-CE2 3.97Å; W311-F345 HydrophobicContact CE3-CD2 4.17Å; W311-F345 AromaticContact CE3-CE2 3.79Å; W311-F345 HydrophobicContact CE3-CE2 3.79Å; W311-F345 HydrophobicContact CG-CE2 4.35Å; W311-F345 HydrophobicContact CZ3-CD2 4.29Å; W311-F345 HydrophobicContact CZ3-CE2 4.29Å; E326-F345 PolarHBondContact O-N 3.4Å; I328-F345 HydrophobicContact CD1-CD2 4.37Å; F345-E347 VanDerWaalsContact C-N 3.26Å; F345-E347 PolarHBondContact O-N 3.36Å; F345-I348 HydrophobicContact CB-CD1 4.45Å; F345-I348 HydrophobicContact CD2-CD1 3.54Å; F345-I348 HydrophobicContact CE2-CD1 3.93Å; F345-I348 HydrophobicContact CG-CD1 4.09Å; F345-I348 WeakPolarHBondContact O-CG1 3.36Å; F345-I348 PolarHBondContact O-N 3.49Å
346S92.8Very high92.2Very high76 Ų7663.9 Ų63.953%0.53133%0.326SS..G310 helixtrans-67.3-19.9176.154.20000114.6K344 P349K344-S346 WeakPolarHBondContact CD-OG 3.28Å; K344-S346 WeakPolarHBondContact CG-OG 3.39Å; K344-S346 PolarHBondContact O-N 2.69Å; K344-S346 VanDerWaalsContact O-N 3.15Å; S346-P349 WeakPolarHBondContact O-CD 3.4Å
347E92.1Very high92.3Very high60 Ų6062.9 Ų62.928%0.2832%0.324SS..G310 helixtrans-85.9-23.2178.2-68.2173.2-128.900112.8L343 K344 F345 P349 Q350 R351L343-E347 HydrophobicContact CD1-CB 3.77Å; K344-E347 HydrophobicContact CB-CG 4.2Å; K344-E347 VanDerWaalsContact CB-OE1 3.29Å; K344-E347 WeakPolarHBondContact CB-OE1 3.27Å; K344-E347 WeakPolarHBondContact O-CB 3.39Å; K344-E347 PolarHBondContact O-N 3.21Å; F345-E347 VanDerWaalsContact C-N 3.26Å; F345-E347 PolarHBondContact O-N 3.36Å; E347-P349 VanDerWaalsContact C-CD 3.44Å; E347-P349 VanDerWaalsContact C-N 3.33Å; E347-Q350 PolarHBondContact O-N 2.87Å; E347-R351 HydrophobicContact CB-CG 4.36Å; E347-R351 PolarHBondContact O-N 2.99Å; E347-R351 IonicContact OE2-NE 3.07Å; E347-R351 IonicContact OE2-NH2 3.86Å
348I90.8Very high92.3Very high8 Ų866.6 Ų66.64%0.04135%0.349CS..Hα-helixtrans-49.3-47.9-178.2-57.1171.2000111.7L310 I328 L343 F345 Q350 R351 L352L310-I348 HydrophobicContact CD1-CG2 3.95Å; I328-I348 HydrophobicContact CD1-CD1 3.69Å; L343-I348 HydrophobicContact CD2-CG1 3.97Å; L343-I348 HydrophobicContact CG-CG1 4.37Å; F345-I348 HydrophobicContact CB-CD1 4.45Å; F345-I348 HydrophobicContact CD2-CD1 3.54Å; F345-I348 HydrophobicContact CE2-CD1 3.93Å; F345-I348 HydrophobicContact CG-CD1 4.09Å; F345-I348 WeakPolarHBondContact O-CG1 3.36Å; F345-I348 PolarHBondContact O-N 3.49Å; I348-Q350 VanDerWaalsContact C-N 3.29Å; I348-Q350 PolarHBondContact O-N 2.95Å; I348-R351 PolarHBondContact O-N 3.28Å; I348-L352 WeakPolarHBondContact O-CB 3.41Å; I348-L352 PolarHBondContact O-N 3.07Å
349P91.2Very high92.4Very high48 Ų4867.4 Ų67.431%0.31236%0.355SS..Hα-helixtrans-61.1-37.7-179.4-22.335000112.5R303 I307 S346 E347 T353R303-P349 PolarHBondContact NH2-O 3.01Å; I307-P349 HydrophobicContact CD1-CG 4.44Å; S346-P349 WeakPolarHBondContact O-CD 3.4Å; E347-P349 VanDerWaalsContact C-CD 3.44Å; E347-P349 VanDerWaalsContact C-N 3.33Å; P349-T353 PolarHBondContact O-OG1 2.94Å; P349-T353 VanDerWaalsContact O-OG1 3.09Å
350Q91.5Very high92.5Very high146 Ų14664 Ų6468%0.68234%0.337SS*.Hα-helixtrans-71-54.9179.4-64.7-176.9-2.100110.6E347 I348 L352 T353E347-Q350 PolarHBondContact O-N 2.87Å; I348-Q350 VanDerWaalsContact C-N 3.29Å; I348-Q350 PolarHBondContact O-N 2.95Å; Q350-L352 VanDerWaalsContact C-N 3.27Å; Q350-L352 PolarHBondContact O-N 3.32Å; Q350-T353 WeakPolarHBondContact O-CB 3.5Å; Q350-T353 PolarHBondContact O-N 3.26Å; Q350-T353 PolarHBondContact O-OG1 3.12Å
351R90.9Very high92.6Very high116 Ų11665.2 Ų65.244%0.43835%0.345SS..Hα-helixtrans-55.6-40.4178.6-66.6-71.2-174.8160.5-0.6112.5F338 L343 E347 I348 T353F338-R351 HydrophobicContact CD1-CB 3.99Å; F338-R351 HydrophobicContact CE1-CB 4.29Å; L343-R351 HydrophobicContact CD1-CG 4.02Å; E347-R351 HydrophobicContact CB-CG 4.36Å; E347-R351 PolarHBondContact O-N 2.99Å; E347-R351 IonicContact OE2-NE 3.07Å; E347-R351 IonicContact OE2-NH2 3.86Å; I348-R351 PolarHBondContact O-N 3.28Å; R351-T353 PolarHBondContact O-N 3.38Å
352L92.2Very high92.7Very high0 Ų063.1 Ų63.10%033%0.328CS..Hα-helixtrans-61.9-26.2177.5-179.161.6000112.9L292 R303 I306 I307 L310 I348 Q350 N354 L355 L356L292-L352 HydrophobicContact CD2-CD1 3.65Å; R303-L352 HydrophobicContact CG-CD2 4.44Å; I306-L352 HydrophobicContact CG2-CD1 3.95Å; I306-L352 HydrophobicContact CG2-CD2 3.79Å; I306-L352 HydrophobicContact CG2-CG 4.48Å; I307-L352 HydrophobicContact CD1-CD2 4.32Å; I307-L352 HydrophobicContact CG1-CD2 3.73Å; L310-L352 HydrophobicContact CD1-CD1 4.25Å; L310-L352 HydrophobicContact CD1-CD2 4.27Å; I348-L352 WeakPolarHBondContact O-CB 3.41Å; I348-L352 PolarHBondContact O-N 3.07Å; Q350-L352 VanDerWaalsContact C-N 3.27Å; Q350-L352 PolarHBondContact O-N 3.32Å; L352-N354 VanDerWaalsContact C-N 3.25Å; L352-N354 PolarHBondContact O-N 3.08Å; L352-L355 HydrophobicContact CD1-CB 4.38Å; L352-L355 CarbonylContact O-C 3.43Å; L352-L355 WeakPolarHBondContact O-CA 3.39Å; L352-L355 PolarHBondContact O-N 2.86Å; L352-L356 HydrophobicContact CD1-CD2 3.98Å; L352-L356 HydrophobicContact CD1-CG 4.13Å; L352-L356 HydrophobicContact CD2-CD1 4.26Å; L352-L356 HydrophobicContact CG-CD1 3.95Å; L352-L356 HydrophobicContact CG-CD2 4.16Å; L352-L356 HydrophobicContact CG-CG 3.9Å; L352-L356 WeakPolarHBondContact O-CG 3.15Å; L352-L356 PolarHBondContact O-N 3.03Å
353T91.9Very high92.8Very high69 Ų6962.6 Ų62.642%0.42334%0.335SS..G310 helixtrans-56.1-38.9-175.9-450000112.5R303 P349 Q350 R351 L355 L356R303-T353 PolarHBondContact NH2-OG1 2.9Å; P349-T353 PolarHBondContact O-OG1 2.94Å; P349-T353 VanDerWaalsContact O-OG1 3.09Å; Q350-T353 WeakPolarHBondContact O-CB 3.5Å; Q350-T353 PolarHBondContact O-N 3.26Å; Q350-T353 PolarHBondContact O-OG1 3.12Å; R351-T353 PolarHBondContact O-N 3.38Å; T353-L355 PolarHBondContact O-N 2.86Å; T353-L356 PolarHBondContact O-N 2.95Å
354N90.4Very high92.9Very high143 Ų14363 Ų6377%0.76534%0.337SS*.G310 helixtrans-78.6-6.7-179.5-62.33.3000113.3L352L352-N354 VanDerWaalsContact C-N 3.25Å; L352-N354 PolarHBondContact O-N 3.08Å
355L92.9Very high92.9Very high27 Ų2766.1 Ų66.114%0.14136%0.356CS..G310 helixtrans-109.75.6179.7-54.3172000112.1D289 L292 I337 F338 L352 T353D289-L355 HydrophobicContact CB-CB 4.28Å; D289-L355 HydrophobicContact CB-CD2 4.1Å; D289-L355 PolarHBondContact N-O 2.89Å; D289-L355 VanDerWaalsContact N-O 3.1Å; L292-L355 HydrophobicContact CD2-CB 4.04Å; L292-L355 HydrophobicContact CD2-CD1 4.09Å; I337-L355 HydrophobicContact CG2-CD1 3.53Å; F338-L355 HydrophobicContact CD1-CD1 3.96Å; F338-L355 HydrophobicContact CE1-CD1 3.69Å; F338-L355 HydrophobicContact CZ-CD1 4.48Å; L352-L355 HydrophobicContact CD1-CB 4.38Å; L352-L355 CarbonylContact O-C 3.43Å; L352-L355 WeakPolarHBondContact O-CA 3.39Å; L352-L355 PolarHBondContact O-N 2.86Å; T353-L355 PolarHBondContact O-N 2.86Å
356L95.1Very high93Very high22 Ų2263.2 Ų63.212%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-109.6100.9175.9-65.7-176000110F286 L288 R303 I306 L352 T353F286-L356 HydrophobicContact CB-CB 3.96Å; F286-L356 HydrophobicContact CB-CD1 4.47Å; F286-L356 HydrophobicContact CB-CD2 3.91Å; F286-L356 HydrophobicContact CB-CG 4.31Å; F286-L356 HydrophobicContact CD1-CB 3.92Å; F286-L356 HydrophobicContact CD1-CD1 4.5Å; F286-L356 HydrophobicContact CD2-CD1 4.33Å; F286-L356 HydrophobicContact CG-CB 4.05Å; F286-L356 HydrophobicContact CG-CD1 4.18Å; F286-L356 HydrophobicContact CG-CD2 4.5Å; F286-L356 HydrophobicContact CG-CG 4.46Å; L288-L356 HydrophobicContact CD2-CD2 3.84Å; R303-L356 HydrophobicContact CB-CD1 4.33Å; R303-L356 HydrophobicContact CG-CD1 3.91Å; I306-L356 HydrophobicContact CD1-CD2 3.65Å; I306-L356 HydrophobicContact CG2-CD2 4.48Å; L352-L356 HydrophobicContact CD1-CD2 3.98Å; L352-L356 HydrophobicContact CD1-CG 4.13Å; L352-L356 HydrophobicContact CD2-CD1 4.26Å; L352-L356 HydrophobicContact CG-CD1 3.95Å; L352-L356 HydrophobicContact CG-CD2 4.16Å; L352-L356 HydrophobicContact CG-CG 3.9Å; L352-L356 WeakPolarHBondContact O-CG 3.15Å; L352-L356 PolarHBondContact O-N 3.03Å; T353-L356 PolarHBondContact O-N 2.95Å
357L94.4Very high92.9Very high78 Ų7863.4 Ų63.441%0.40834%0.341SS..EExtended strand (participates in β ladder)trans-86.1158.1175.3-59.1176.9000110.3F286 K287F286-L357 CarbonylContact C-O 3.54Å; F286-L357 WeakPolarHBondContact CA-O 3.4Å; K287-L357 HydrophobicContact CB-CB 4.22Å; K287-L357 HydrophobicContact CG-CB 4.39Å; K287-L357 PolarHBondContact N-O 3.02Å; K287-L357 PolarHBondContact O-N 3.28Å
358P92.8Very high92.8Very high96 Ų9660.6 Ų60.662%0.62333%0.328SS*.PPolyproline II helixtrans-56.4145.9164.926.3-35000110.4K287K287-P358 WeakPolarHBondContact CB-O 3.46Å
359P93.8Very high92.6Very high27 Ų2760.8 Ų60.818%0.17533%0.33CS..PPolyproline II helixtrans-55.1145.9169.1-24.735.4000111.5Y281 Q285 T300Y281-P359 HydrophobicContact CD2-CB 4.39Å; Y281-P359 HydrophobicContact CD2-CG 4Å; Y281-P359 HydrophobicContact CE2-CB 3.87Å; Y281-P359 HydrophobicContact CE2-CG 3.97Å; Q285-P359 WeakPolarHBondContact O-CD 3.37Å; Q285-P359 WeakPolarHBondContact O-CG 3.37Å; T300-P359 HydrophobicContact CG2-CB 4.21Å; T300-P359 HydrophobicContact CG2-CG 4.24Å
360D93.1Very high92.3Very high81 Ų8159.7 Ų59.743%0.43332%0.323SS..PPolyproline II helixtrans-64.6142.4174.6-66.2-34.4000110.8K287K287-D360 WeakPolarHBondContact CD-OD1 3.26Å; K287-D360 WeakPolarHBondContact CD-OD2 3.46Å; K287-D360 WeakPolarHBondContact CE-OD2 3.37Å; K287-D360 IonicContact NZ-OD1 2.83Å; K287-D360 PolarHBondContact NZ-OD1 2.88Å; K287-D360 IonicContact NZ-OD2 2.68Å; K287-D360 PolarHBondContact NZ-OD2 3.48Å
361P94.5Very high91.9Very high44 Ų4457 Ų5729%0.28631%0.313SS..PPolyproline II helixtrans-66.1149.6169.529.8-34.8000110.3L276 M278 V363L276-P361 HydrophobicContact CB-CB 4.13Å; L276-P361 HydrophobicContact CD2-CG 4.2Å; M278-P361 HydrophobicContact CG-CB 4.05Å; M278-P361 HydrophobicContact SD-CB 4.38Å; P361-V363 HydrophobicContact CG-CG2 4.25Å; P361-V363 PolarHBondContact O-N 2.82Å
362I94.4Very high91Very high54 Ų5456.2 Ų56.228%0.27732%0.323SS..EExtended strand (participates in β ladder)trans-79.1113.6167.2-62.8172.4000107.1L277 L279 I364 I383L277-I362 HydrophobicContact CB-CB 4.2Å; L277-I362 PolarHBondContact N-O 3.05Å; L277-I362 PolarHBondContact O-N 2.8Å; L279-I362 HydrophobicContact CD1-CD1 3.76Å; L279-I362 HydrophobicContact CG-CD1 4.21Å; I362-I364 HydrophobicContact CG2-CG1 4.38Å; I362-I383 HydrophobicContact CB-CD1 4.49Å; I362-I383 HydrophobicContact CD1-CD1 3.85Å; I362-I383 HydrophobicContact CD1-CG1 4.2Å; I362-I383 HydrophobicContact CD1-CG2 3.54Å; I362-I383 HydrophobicContact CG2-CD1 3.95Å
363V95.7Very high90.2Very high80 Ų8063.2 Ų63.249%0.48536%0.36SS..EExtended strand (participates in β ladder)trans-95.9125.4-177.4-176.90000109.7T274 L275 L276 P361T274-V363 HydrophobicContact CG2-CG1 3.54Å; L275-V363 CarbonylContact O-C 3.47Å; L275-V363 WeakPolarHBondContact O-CA 3.47Å; L276-V363 HydrophobicContact CD2-CG2 4.5Å; P361-V363 HydrophobicContact CG-CG2 4.25Å; P361-V363 PolarHBondContact O-N 2.82Å
364I95.3Very high89.2Confident11 Ų1162.1 Ų62.16%0.05635%0.352CS..EExtended strand (participates in β ladder)trans-125.4118.3175.1-56.3178000108.7I184 L275 L277 I362 Y381I184-I364 HydrophobicContact CD1-CD1 4.37Å; I184-I364 HydrophobicContact CD1-CG2 3.9Å; L275-I364 HydrophobicContact CB-CB 4.37Å; L275-I364 WeakPolarHBondContact CD1-O 3.43Å; L275-I364 PolarHBondContact N-O 2.98Å; L275-I364 PolarHBondContact O-N 3.18Å; L277-I364 HydrophobicContact CD1-CD1 3.81Å; L277-I364 HydrophobicContact CD1-CG1 4.48Å; I362-I364 HydrophobicContact CG2-CG1 4.38Å; I364-Y381 HydrophobicContact CD1-CD1 4.36Å; I364-Y381 HydrophobicContact CD1-CD2 4.15Å; I364-Y381 HydrophobicContact CD1-CG 3.99Å; I364-Y381 HydrophobicContact CG2-CD1 4.36Å; I364-Y381 HydrophobicContact CG2-CD2 4.19Å; I364-Y381 HydrophobicContact CG2-CE1 3.87Å; I364-Y381 HydrophobicContact CG2-CE2 3.68Å
365N94.3Very high88Confident117 Ų11758.1 Ų58.163%0.62633%0.329SS*.EExtended strand (participates in β ladder)trans-89129.3175.4-59.4-1.4000109.1
366H92.1Very high86.7Confident24 Ų2466.1 Ų66.111%0.11136%0.362CS..EExtended strand (participates in β ladder)trans-134.9162.4179.6-179.668000110.2C273 L275C273-H366 PolarHBondContact N-O 3.36Å; C273-H366 PolarHBondContact O-N 3.46Å; C273-H366 VanDerWaalsContact O-O 3.11Å; L275-H366 HydrophobicContact CD1-CB 3.97Å
367V91.4Very high85.9Confident81 Ų8170.9 Ų70.949%0.49138%0.382SS..EExtended strand (participates in β ladder)trans-130.4115176.1-172.40000108.1R272 S369R272-V367 HydrophobicContact CG-CG2 4.35Å; V367-S369 PolarHBondContact O-N 2.9Å; V367-S369 VanDerWaalsContact O-N 3.08Å
368I90.3Very high85.5Confident1 Ų170.3 Ų70.31%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-73.894.9173.7-56.2173.2000106.3N186 W205 L207 L235 S270 V271 C273N186-I368 HydrophobicContact CB-CG2 4.07Å; W205-I368 HydrophobicContact CB-CG2 3.77Å; W205-I368 HydrophobicContact CD2-CD1 4.01Å; W205-I368 HydrophobicContact CD2-CG2 3.91Å; W205-I368 HydrophobicContact CE3-CD1 3.78Å; W205-I368 HydrophobicContact CE3-CG2 4.25Å; W205-I368 HydrophobicContact CG-CG2 3.73Å; W205-I368 HydrophobicContact CH2-CD1 3.75Å; W205-I368 HydrophobicContact CZ2-CD1 3.96Å; W205-I368 HydrophobicContact CZ3-CD1 3.67Å; L207-I368 HydrophobicContact CB-CD1 4.24Å; L207-I368 HydrophobicContact CD1-CG1 4.37Å; L207-I368 HydrophobicContact CD2-CD1 4.22Å; L235-I368 HydrophobicContact CD2-CD1 4.33Å; S270-I368 CarbonylContact C-O 3.5Å; S270-I368 WeakPolarHBondContact CA-O 3.33Å; S270-I368 WeakPolarHBondContact CB-O 3.48Å; V271-I368 HydrophobicContact CB-CB 4.3Å; V271-I368 HydrophobicContact CB-CD1 4.39Å; V271-I368 PolarHBondContact N-O 3.02Å; V271-I368 WeakPolarHBondContact O-CB 3.44Å; V271-I368 PolarHBondContact O-N 3.29Å; C273-I368 HydrophobicContact CB-CD1 4.44Å
369S86.6Confident85.4Confident12 Ų1267 Ų678%0.08436%0.362CS..  trans-78.3143.1173.7-175.90000111.1N186 V367 D371N186-S369 PolarHBondContact ND2-N 2.97Å; N186-S369 PolarHBondContact ND2-O 3.22Å; V367-S369 PolarHBondContact O-N 2.9Å; V367-S369 VanDerWaalsContact O-N 3.08Å; S369-D371 WeakPolarHBondContact OG-CB 3.5Å; S369-D371 PolarHBondContact OG-N 2.89Å; S369-D371 PolarHBondContact OG-OD2 3.42Å; S369-D371 VanDerWaalsContact OG-OD2 3.04Å
370V84.9Confident85.3Confident25 Ų2569.1 Ų69.115%0.15238%0.377CS..  trans-87.8-11.5168.8-60.80000113.1F188 S270 P372F188-V370 HydrophobicContact CB-CB 4.45Å; F188-V370 HydrophobicContact CD1-CB 3.9Å; F188-V370 HydrophobicContact CD1-CG1 4.5Å; F188-V370 WeakPolarHBondContact CD1-O 3.48Å; F188-V370 HydrophobicContact CD2-CB 4.02Å; F188-V370 HydrophobicContact CD2-CG1 3.71Å; F188-V370 HydrophobicContact CE1-CB 4.07Å; F188-V370 HydrophobicContact CE2-CB 4.21Å; F188-V370 HydrophobicContact CE2-CG1 3.88Å; F188-V370 HydrophobicContact CG-CB 3.85Å; F188-V370 HydrophobicContact CG-CG1 4.03Å; F188-V370 HydrophobicContact CZ-CB 4.22Å; F188-V370 HydrophobicContact CZ-CG1 4.33Å; S270-V370 PolarHBondContact OG-N 3.2Å; V370-P372 WeakPolarHBondContact O-CD 3.34Å
371D82.3Confident85.4Confident90 Ų9069.3 Ų69.348%0.48137%0.372SS..  trans-61.6125.6-176.4-70.3-55.7000112.2S369 N373 D374S369-D371 WeakPolarHBondContact OG-CB 3.5Å; S369-D371 PolarHBondContact OG-N 2.89Å; S369-D371 PolarHBondContact OG-OD2 3.42Å; S369-D371 VanDerWaalsContact OG-OD2 3.04Å; D371-N373 PolarHBondContact O-N 2.94Å; D371-D374 HydrophobicContact CB-CB 4.37Å; D371-D374 PolarHBondContact O-N 3.37Å
372P73.3Confident85.4Confident99 Ų9970.5 Ų70.564%0.64338%0.376SS*.THydrogen-bonded Turntrans-55.9-26.5178.8-2936.4000114.9V370V370-P372 WeakPolarHBondContact O-CD 3.34Å
373N74.2Confident85.4Confident147 Ų14768.6 Ų68.679%0.78637%0.366SS*.THydrogen-bonded Turntrans-74.4-24177.9-71-30.8000113.5D371D371-N373 PolarHBondContact O-N 2.94Å
374D71.6Confident85.2Confident46 Ų4668.6 Ų68.625%0.24636%0.364CS..THydrogen-bonded Turntrans-95.6-13.8-173.7-85.731.8000113.4D371 K376 K377D371-D374 HydrophobicContact CB-CB 4.37Å; D371-D374 PolarHBondContact O-N 3.37Å; D374-K376 PolarHBondContact O-N 2.95Å; D374-K377 HydrophobicContact CB-CD 4.2Å; D374-K377 WeakPolarHBondContact O-CB 3.32Å; D374-K377 PolarHBondContact O-N 3.49Å; D374-K377 WeakPolarHBondContact OD1-CE 3.24Å; D374-K377 IonicContact OD1-NZ 3.91Å; D374-K377 PolarHBondContact OD1-NZ 3.13Å; D374-K377 WeakPolarHBondContact OD2-CD 3.47Å; D374-K377 IonicContact OD2-NZ 3.91Å; D374-K377 PolarHBondContact OD2-NZ 2.9Å
375Q65Low85Confident59 Ų5968.3 Ų68.328%0.27636%0.362SS..THydrogen-bonded Turntrans-58.8-4.5179.6-54.7-172.7-0.700115.6F188F188-Q375 PolarHBondContact O-NE2 3.26Å
376K66.3Low84.8Confident194 Ų19465.6 Ų65.684%0.84335%0.346SS*.THydrogen-bonded Turntrans-1111.7177.6-64.4179.1-177.5172.30113.5D374 T378D374-K376 PolarHBondContact O-N 2.95Å; K376-T378 PolarHBondContact O-N 3.26Å
377K77.6Confident84.6Confident123 Ų12365.2 Ų65.254%0.53535%0.345SS..  trans-89.780.2-177.5-69.1175.7175.8167.10112D374 A379D374-K377 HydrophobicContact CB-CD 4.2Å; D374-K377 WeakPolarHBondContact O-CB 3.32Å; D374-K377 PolarHBondContact O-N 3.49Å; D374-K377 WeakPolarHBondContact OD1-CE 3.24Å; D374-K377 IonicContact OD1-NZ 3.91Å; D374-K377 PolarHBondContact OD1-NZ 3.13Å; D374-K377 WeakPolarHBondContact OD2-CD 3.47Å; D374-K377 IonicContact OD2-NZ 3.91Å; D374-K377 PolarHBondContact OD2-NZ 2.9Å; K377-A379 PolarHBondContact O-N 2.97Å; K377-A379 VanDerWaalsContact O-N 3.17Å
378T85.8Confident84.4Confident66 Ų6665 Ų6541%0.40534%0.339SS..  trans-69.8108.9171.5-51.40000111.2Y183 I184 K376Y183-T378 HydrophobicContact CD1-CG2 3.89Å; Y183-T378 HydrophobicContact CG-CG2 4.33Å; I184-T378 CarbonylContact O-C 3.47Å; I184-T378 WeakPolarHBondContact O-CA 3.46Å; K376-T378 PolarHBondContact O-N 3.26Å
379A90.8Very high84.2Confident26 Ų2667.3 Ų67.322%0.21535%0.351CS..EExtended strand (participates in β ladder)trans-70.5134.9172.300000110.3I184 K377 Y381I184-A379 HydrophobicContact CB-CB 4.44Å; I184-A379 PolarHBondContact N-O 3.47Å; I184-A379 PolarHBondContact O-N 3.35Å; K377-A379 PolarHBondContact O-N 2.97Å; K377-A379 VanDerWaalsContact O-N 3.17Å; A379-Y381 HydrophobicContact CB-CE2 3.73Å
380C93.1Very high84.1Confident71 Ų7169.9 Ų69.948%0.4837%0.367SS..EExtended strand (participates in β ladder)trans-122129.3-172.8-65.80000111.3L182L182-C380 WeakPolarHBondContact O-CA 3.33Å
381Y94.5Very high84.2Confident86 Ų8671.8 Ų71.834%0.33738%0.377SS..EExtended strand (participates in β ladder)trans-133.7133.2-177.9-59.7-91.6000111.5R181 L182 I184 I364 A379R181-Y381 CarbonylContact C-O 3.57Å; R181-Y381 WeakPolarHBondContact CA-O 3.34Å; L182-Y381 PolarHBondContact N-O 3.15Å; L182-Y381 PolarHBondContact O-N 3.06Å; L182-Y381 VanDerWaalsContact O-N 3.07Å; I184-Y381 HydrophobicContact CD1-CD2 4.06Å; I184-Y381 HydrophobicContact CD1-CE2 3.9Å; I364-Y381 HydrophobicContact CD1-CD1 4.36Å; I364-Y381 HydrophobicContact CD1-CD2 4.15Å; I364-Y381 HydrophobicContact CD1-CG 3.99Å; I364-Y381 HydrophobicContact CG2-CD1 4.36Å; I364-Y381 HydrophobicContact CG2-CD2 4.19Å; I364-Y381 HydrophobicContact CG2-CE1 3.87Å; I364-Y381 HydrophobicContact CG2-CE2 3.68Å; A379-Y381 HydrophobicContact CB-CE2 3.73Å
382D94.3Very high84.4Confident68 Ų6870.9 Ų70.936%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-106.3103.7-177.7-78.3-15.3000112.3K179 R181K179-D382 HydrophobicContact CD-CB 4.27Å; R181-D382 WeakPolarHBondContact CA-OD1 3.46Å; R181-D382 VanDerWaalsContact CB-OD1 3.27Å; R181-D382 WeakPolarHBondContact CB-OD1 3.34Å; R181-D382 WeakPolarHBondContact CG-OD1 3.28Å; R181-D382 IonicContact CZ-OD1 2.7Å; R181-D382 IonicContact CZ-OD2 2.94Å; R181-D382 IonicContact NE-OD1 2.77Å; R181-D382 PolarHBondContact NE-OD1 3.37Å; R181-D382 IonicContact NE-OD2 3.05Å; R181-D382 IonicContact NH2-OD1 3.75Å; R181-D382 PolarHBondContact NH2-OD1 3.02Å; R181-D382 IonicContact NH2-OD2 3.26Å; R181-D382 PolarHBondContact NH2-OD2 3.24Å
383I93.6Very high85Confident14 Ų1470.4 Ų70.47%0.07237%0.367CS..EExtended strand (participates in β ladder)trans-93.3137179.1-64.2179.6000110.5K179 L180 L182 L277 L279 I362 V385K179-I383 CarbonylContact C-O 3.54Å; K179-I383 WeakPolarHBondContact CA-O 3.24Å; L180-I383 PolarHBondContact N-O 2.99Å; L180-I383 PolarHBondContact O-N 3.41Å; L182-I383 HydrophobicContact CD1-CB 4.25Å; L182-I383 HydrophobicContact CD1-CD1 3.56Å; L182-I383 HydrophobicContact CD1-CG1 3.88Å; L182-I383 HydrophobicContact CD2-CD1 4.14Å; L277-I383 HydrophobicContact CD1-CD1 4.14Å; L279-I383 HydrophobicContact CD1-CG2 4.24Å; L279-I383 HydrophobicContact CD2-CG2 4.45Å; I362-I383 HydrophobicContact CB-CD1 4.49Å; I362-I383 HydrophobicContact CD1-CD1 3.85Å; I362-I383 HydrophobicContact CD1-CG1 4.2Å; I362-I383 HydrophobicContact CD1-CG2 3.54Å; I362-I383 HydrophobicContact CG2-CD1 3.95Å; I383-V385 HydrophobicContact CG2-CG1 4.06Å; I383-V385 PolarHBondContact O-N 3.02Å
384D92.1Very high85.7Confident81 Ų8169.1 Ų69.143%0.43336%0.357SS..EExtended strand (participates in β ladder)trans-77.3118.1169.2-75.2-62.5000111.1R178 K179R178-D384 WeakPolarHBondContact O-CA 3.33Å; K179-D384 WeakPolarHBondContact CD-OD1 3.4Å; K179-D384 VanDerWaalsContact CE-OD1 3.28Å; K179-D384 WeakPolarHBondContact CE-OD1 3.25Å; K179-D384 IonicContact NZ-OD1 2.65Å; K179-D384 PolarHBondContact NZ-OD1 3.1Å; K179-D384 IonicContact NZ-OD2 2.65Å; K179-D384 PolarHBondContact NZ-OD2 2.7Å
385V91.6Very high86.6Confident4 Ų468.7 Ų68.72%0.02435%0.354CS..EExtended strand (participates in β ladder)trans-119151.5176.9-61.10000111.9K177 R178 L180 L213 F227 L279 I383 V387K177-V385 WeakPolarHBondContact CA-O 3.47Å; R178-V385 PolarHBondContact N-O 2.96Å; R178-V385 PolarHBondContact O-N 3.05Å; L180-V385 HydrophobicContact CB-CB 4.47Å; L180-V385 HydrophobicContact CB-CG1 3.74Å; L180-V385 HydrophobicContact CB-CG2 3.84Å; L180-V385 HydrophobicContact CD2-CG1 3.89Å; L180-V385 HydrophobicContact CG-CG1 4.48Å; L213-V385 HydrophobicContact CD1-CG2 3.69Å; F227-V385 HydrophobicContact CB-CG1 4.33Å; F227-V385 HydrophobicContact CD1-CB 3.79Å; F227-V385 HydrophobicContact CD1-CG1 4.13Å; F227-V385 HydrophobicContact CD1-CG2 3.82Å; F227-V385 HydrophobicContact CE1-CB 4.19Å; F227-V385 HydrophobicContact CE1-CG2 3.74Å; F227-V385 HydrophobicContact CG-CB 4.49Å; F227-V385 HydrophobicContact CG-CG1 4.36Å; F227-V385 HydrophobicContact CZ-CG2 4.43Å; L279-V385 HydrophobicContact CD2-CG1 3.94Å; I383-V385 HydrophobicContact CG2-CG1 4.06Å; I383-V385 PolarHBondContact O-N 3.02Å; V385-V387 HydrophobicContact CG2-CG2 4.37Å
386E89.1Confident87.7Confident60 Ų6068.4 Ų68.428%0.2836%0.358SS..EExtended strand (participates in β ladder)trans-95.3119.1178.1-73.3179.6-173.200111.3K175 K177 Q285K175-E386 HydrophobicContact CB-CB 4.24Å; K177-E386 HydrophobicContact CG-CG 4.26Å; Q285-E386 PolarHBondContact NE2-OE1 3.42Å; Q285-E386 PolarHBondContact NE2-OE2 3.48Å
387V88.9Confident88.8Confident16 Ų1662.9 Ų62.910%0.09734%0.344CS..EExtended strand (participates in β ladder)trans-109.7149.1179.5-169.40000108.7K175 Q176 R178 L213 F227 V385K175-V387 CarbonylContact C-O 3.14Å; K175-V387 VanDerWaalsContact CA-O 3.25Å; K175-V387 WeakPolarHBondContact CA-O 3.49Å; Q176-V387 HydrophobicContact CG-CB 4.28Å; Q176-V387 PolarHBondContact N-O 2.94Å; Q176-V387 PolarHBondContact O-N 3.23Å; R178-V387 HydrophobicContact CB-CG2 3.99Å; R178-V387 HydrophobicContact CG-CG2 4.07Å; L213-V387 HydrophobicContact CD1-CG2 4.21Å; L213-V387 HydrophobicContact CD2-CG2 4.05Å; F227-V387 HydrophobicContact CE1-CG2 4.21Å; V385-V387 HydrophobicContact CG2-CG2 4.37Å
388E86.2Confident89.4Confident78 Ų7861.6 Ų61.636%0.36434%0.338SS..EExtended strand (participates in β ladder)trans-61.6142.4171.9-58.3-117.5109.800110.8K175 Q176 P390 K392K175-E388 IonicContact NZ-OE1 2.68Å; K175-E388 PolarHBondContact NZ-OE1 2.72Å; Q176-E388 PolarHBondContact NE2-O 3.22Å; E388-P390 WeakPolarHBondContact O-CD 3.41Å; E388-K392 IonicContact OE1-NZ 3.61Å; E388-K392 PolarHBondContact OE1-NZ 3.41Å; E388-K392 WeakPolarHBondContact OE2-CD 3.04Å; E388-K392 IonicContact OE2-NZ 2.82Å; E388-K392 PolarHBondContact OE2-NZ 3.36Å
389D86.6Confident89.5Confident49 Ų4959.7 Ų59.726%0.26233%0.326SS..  trans-73.5124171-174.1-18.1000110M174 L391 K392M174-D389 HydrophobicContact CB-CB 3.95Å; M174-D389 PolarHBondContact O-N 2.86Å; D389-L391 PolarHBondContact O-N 2.94Å; D389-L391 VanDerWaalsContact O-N 3.07Å; D389-L391 WeakPolarHBondContact OD1-CB 3.47Å; D389-L391 PolarHBondContact OD1-N 2.88Å; D389-K392 WeakPolarHBondContact O-CB 3.37Å; D389-K392 PolarHBondContact O-N 3.36Å
390P83.8Confident89.3Confident65 Ų6564.7 Ų64.742%0.42235%0.348SS..Hα-helixtrans-52.6-26.9173.8-27.735.8000114.5E388 K392 S393 Q394E388-P390 WeakPolarHBondContact O-CD 3.41Å; P390-K392 PolarHBondContact O-N 3.27Å; P390-S393 WeakPolarHBondContact O-CB 3.45Å; P390-S393 PolarHBondContact O-N 3.15Å; P390-S393 VanDerWaalsContact O-N 3.12Å; P390-Q394 PolarHBondContact O-N 2.84Å
391L86.9Confident88.8Confident66 Ų6664.1 Ų64.135%0.34635%0.345SS..Hα-helixtrans-58.8-31.3174.8-176.956.9000112.4M174 D389 S393 Q394 M395M174-L391 HydrophobicContact CE-CB 4.23Å; M174-L391 HydrophobicContact CE-CD2 3.86Å; M174-L391 HydrophobicContact CE-CG 4.05Å; D389-L391 PolarHBondContact O-N 2.94Å; D389-L391 VanDerWaalsContact O-N 3.07Å; D389-L391 WeakPolarHBondContact OD1-CB 3.47Å; D389-L391 PolarHBondContact OD1-N 2.88Å; L391-S393 VanDerWaalsContact C-N 3.27Å; L391-S393 PolarHBondContact O-N 2.63Å; L391-Q394 HydrophobicContact CD1-CB 4.5Å; L391-Q394 PolarHBondContact O-N 2.82Å; L391-M395 HydrophobicContact CD1-CE 4.36Å; L391-M395 HydrophobicContact CD1-CG 4.19Å; L391-M395 HydrophobicContact CD2-CE 4.06Å; L391-M395 HydrophobicContact CG-CE 4.06Å; L391-M395 HydrophobicContact CG-CG 4.23Å; L391-M395 HydrophobicContact CG-SD 4.19Å; L391-M395 WeakPolarHBondContact O-CB 3.42Å; L391-M395 WeakPolarHBondContact O-CG 3.42Å; L391-M395 PolarHBondContact O-N 2.76Å
392K87.8Confident87.7Confident71 Ų7164.3 Ų64.331%0.30936%0.355SS..Hα-helixtrans-56.5-41.1174.8-173.3-169.8176.6-169.40111.8L170 E388 D389 P390 S396L170-K392 HydrophobicContact CD2-CB 4.37Å; L170-K392 HydrophobicContact CD2-CG 3.78Å; E388-K392 IonicContact OE1-NZ 3.61Å; E388-K392 PolarHBondContact OE1-NZ 3.41Å; E388-K392 WeakPolarHBondContact OE2-CD 3.04Å; E388-K392 IonicContact OE2-NZ 2.82Å; E388-K392 PolarHBondContact OE2-NZ 3.36Å; D389-K392 WeakPolarHBondContact O-CB 3.37Å; D389-K392 PolarHBondContact O-N 3.36Å; P390-K392 PolarHBondContact O-N 3.27Å; K392-S396 WeakPolarHBondContact O-CB 3.2Å; K392-S396 PolarHBondContact O-N 2.84Å
393S86.3Confident86.5Confident88 Ų8864 Ų6462%0.61536%0.362SS*.Hα-helixtrans-70-44178.1-175.30000111.6P390 L391 S396 S397P390-S393 WeakPolarHBondContact O-CB 3.45Å; P390-S393 PolarHBondContact O-N 3.15Å; P390-S393 VanDerWaalsContact O-N 3.12Å; L391-S393 VanDerWaalsContact C-N 3.27Å; L391-S393 PolarHBondContact O-N 2.63Å; S393-S396 PolarHBondContact O-N 2.77Å; S393-S397 WeakPolarHBondContact O-CB 3.38Å; S393-S397 PolarHBondContact O-N 3.36Å
394Q87.5Confident85.8Confident121 Ų12168.1 Ų68.157%0.56538%0.384SS*.Hα-helixtrans-62.9-43.7177.2-61177.66.400111.9P390 L391 S397 F398P390-Q394 PolarHBondContact O-N 2.84Å; L391-Q394 HydrophobicContact CD1-CB 4.5Å; L391-Q394 PolarHBondContact O-N 2.82Å; Q394-S397 PolarHBondContact O-N 2.81Å; Q394-F398 PolarHBondContact O-N 2.99Å
395M90Very high85.4Confident37 Ų3769.1 Ų69.118%0.18239%0.386CS..Hα-helixtrans-61.8-45.2174.5-79.9-176.616700112.2I166 L170 M174 L391 F398 L399I166-M395 HydrophobicContact CG1-CE 4.47Å; I166-M395 HydrophobicContact CG2-CB 3.67Å; I166-M395 HydrophobicContact CG2-CG 3.79Å; I166-M395 HydrophobicContact CG2-SD 4.1Å; L170-M395 HydrophobicContact CD1-CB 4.04Å; L170-M395 HydrophobicContact CD2-CB 3.9Å; L170-M395 HydrophobicContact CD2-SD 4.29Å; L170-M395 HydrophobicContact CG-CB 4.12Å; L170-M395 HydrophobicContact CG-SD 4.44Å; M174-M395 HydrophobicContact CE-SD 4.2Å; M174-M395 HydrophobicContact SD-SD 4Å; L391-M395 HydrophobicContact CD1-CE 4.36Å; L391-M395 HydrophobicContact CD1-CG 4.19Å; L391-M395 HydrophobicContact CD2-CE 4.06Å; L391-M395 HydrophobicContact CG-CE 4.06Å; L391-M395 HydrophobicContact CG-CG 4.23Å; L391-M395 HydrophobicContact CG-SD 4.19Å; L391-M395 WeakPolarHBondContact O-CB 3.42Å; L391-M395 WeakPolarHBondContact O-CG 3.42Å; L391-M395 PolarHBondContact O-N 2.76Å; M395-F398 PolarHBondContact O-N 3.48Å; M395-L399 WeakPolarHBondContact O-CG 3.37Å; M395-L399 PolarHBondContact O-N 2.88Å
396S89.6Confident85.2Confident52 Ų5277.4 Ų77.436%0.36442%0.424SS..Hα-helixtrans-60.6-46175.7-172.50000111.6K392 S393 F398 L399 L400K392-S396 WeakPolarHBondContact O-CB 3.2Å; K392-S396 PolarHBondContact O-N 2.84Å; S393-S396 PolarHBondContact O-N 2.77Å; S396-F398 VanDerWaalsContact C-N 3.33Å; S396-F398 PolarHBondContact O-N 2.83Å; S396-L399 PolarHBondContact O-N 2.82Å; S396-L400 WeakPolarHBondContact O-CB 3.4Å; S396-L400 WeakPolarHBondContact O-CG 3.09Å; S396-L400 PolarHBondContact O-N 3.46Å
397S89.6Confident85.4Confident78 Ų7879.6 Ų79.655%0.54544%0.435SS..Hα-helixtrans-60-39.6175.21790000112.5S393 Q394 L400 S401S393-S397 WeakPolarHBondContact O-CB 3.38Å; S393-S397 PolarHBondContact O-N 3.36Å; Q394-S397 PolarHBondContact O-N 2.81Å; S397-L400 PolarHBondContact O-N 2.83Å; S397-S401 WeakPolarHBondContact O-CB 3.3Å; S397-S401 PolarHBondContact O-N 3.11Å
398F89.1Confident85.4Confident97 Ų9783.5 Ų83.543%0.42545%0.454SS..Hα-helixtrans-63.7-41.7174.2175.7-96.3000112.8I166 Q394 M395 S396 S401I166-F398 HydrophobicContact CD1-CD1 3.61Å; I166-F398 HydrophobicContact CD1-CE1 3.68Å; Q394-F398 PolarHBondContact O-N 2.99Å; M395-F398 PolarHBondContact O-N 3.48Å; S396-F398 VanDerWaalsContact C-N 3.33Å; S396-F398 PolarHBondContact O-N 2.83Å; F398-S401 WeakPolarHBondContact O-CB 3.09Å; F398-S401 PolarHBondContact O-N 3.26Å
399L88.5Confident85.6Confident26 Ų2682.1 Ų82.114%0.13646%0.456CS..Hα-helixtrans-67.7-40.4176.5-65.6-173.3000112.5R163 I166 Q167 L170 M395 S396 S401R163-L399 HydrophobicContact CB-CD2 4.35Å; R163-L399 HydrophobicContact CG-CD2 3.56Å; R163-L399 VanDerWaalsContact CZ-O 3.25Å; R163-L399 PolarHBondContact NH1-O 3.45Å; R163-L399 VanDerWaalsContact NH1-O 3.09Å; R163-L399 PolarHBondContact NH2-O 3.43Å; R163-L399 WeakPolarHBondContact O-CD2 3.41Å; I166-L399 HydrophobicContact CB-CD2 4.21Å; I166-L399 HydrophobicContact CG2-CD1 4.14Å; I166-L399 HydrophobicContact CG2-CD2 3.97Å; I166-L399 HydrophobicContact CG2-CG 3.94Å; Q167-L399 HydrophobicContact CB-CD1 4Å; Q167-L399 HydrophobicContact CG-CD1 4.39Å; L170-L399 HydrophobicContact CD1-CD1 3.66Å; L170-L399 HydrophobicContact CD1-CG 4.49Å; M395-L399 WeakPolarHBondContact O-CG 3.37Å; M395-L399 PolarHBondContact O-N 2.88Å; S396-L399 PolarHBondContact O-N 2.82Å; L399-S401 VanDerWaalsContact C-N 3.27Å; L399-S401 PolarHBondContact O-N 2.9Å
400L85.5Confident85.9Confident131 Ų13182.8 Ų82.869%0.68646%0.464SS*.Hα-helixtrans-74.7-15.8178.5-68171.7000113.2S396 S397 T402S396-L400 WeakPolarHBondContact O-CB 3.4Å; S396-L400 WeakPolarHBondContact O-CG 3.09Å; S396-L400 PolarHBondContact O-N 3.46Å; S397-L400 PolarHBondContact O-N 2.83Å; L400-T402 PolarHBondContact O-N 3.48Å; L400-T402 VanDerWaalsContact O-N 3.08Å
401S83.8Confident86.3Confident58 Ų5884.1 Ų84.141%0.40647%0.467SS..  trans-63.6110.8176-171.50000111.4S397 F398 L399 A403S397-S401 WeakPolarHBondContact O-CB 3.3Å; S397-S401 PolarHBondContact O-N 3.11Å; F398-S401 WeakPolarHBondContact O-CB 3.09Å; F398-S401 PolarHBondContact O-N 3.26Å; L399-S401 VanDerWaalsContact C-N 3.27Å; L399-S401 PolarHBondContact O-N 2.9Å; S401-A403 WeakPolarHBondContact OG-CB 3.45Å; S401-A403 PolarHBondContact OG-N 2.81Å
402T69.9Low86.5Confident91 Ų9183 Ų8356%0.55846%0.462SS*.  trans-100.21416554.60000112.1L400 N404 Q405L400-T402 PolarHBondContact O-N 3.48Å; L400-T402 VanDerWaalsContact O-N 3.08Å; T402-N404 PolarHBondContact O-N 2.89Å; T402-Q405 WeakPolarHBondContact O-CB 3.19Å; T402-Q405 WeakPolarHBondContact O-CG 3.33Å; T402-Q405 PolarHBondContact O-N 3.49Å
403A70.3Confident86.6Confident61 Ų6182.2 Ų82.250%0.50446%0.461SS..THydrogen-bonded Turntrans-51.7137.5-178.200000111.5S401 Q405S401-A403 WeakPolarHBondContact OG-CB 3.45Å; S401-A403 PolarHBondContact OG-N 2.81Å; A403-Q405 PolarHBondContact O-N 2.99Å
404N78.4Confident87Confident100 Ų10084.5 Ų84.554%0.53546%0.46SS..THydrogen-bonded Turntrans62.13.5177.5-52.437000115.7T402 Q406 E407 I408T402-N404 PolarHBondContact O-N 2.89Å; N404-Q406 VanDerWaalsContact C-N 3.27Å; N404-Q406 PolarHBondContact O-N 2.95Å; N404-E407 HydrophobicContact CB-CB 4.44Å; N404-E407 PolarHBondContact ND2-OE2 3.4Å; N404-E407 WeakPolarHBondContact O-CB 3.22Å; N404-E407 PolarHBondContact O-N 2.6Å; N404-E407 VanDerWaalsContact O-N 3.09Å; N404-I408 WeakPolarHBondContact O-CG1 3.31Å; N404-I408 PolarHBondContact O-N 3.49Å
405Q84.9Confident87.2Confident102 Ų10281.4 Ų81.448%0.47745%0.447SS..Hα-helixtrans-60.7-34.6177.2-71.5-179.92.300113T402 A403 A409T402-Q405 WeakPolarHBondContact O-CB 3.19Å; T402-Q405 WeakPolarHBondContact O-CG 3.33Å; T402-Q405 PolarHBondContact O-N 3.49Å; A403-Q405 PolarHBondContact O-N 2.99Å; Q405-A409 WeakPolarHBondContact O-CB 3.28Å; Q405-A409 PolarHBondContact O-N 3.48Å
406Q87.4Confident87.2Confident178 Ų17882.7 Ų82.783%0.83245%0.452SS*.Hα-helixtrans-70.5-34.1175.2-68177.8-17.400112.7N404 A409 S410N404-Q406 VanDerWaalsContact C-N 3.27Å; N404-Q406 PolarHBondContact O-N 2.95Å; Q406-A409 PolarHBondContact O-N 3.14Å; Q406-S410 PolarHBondContact O-N 3.01Å; Q406-S410 PolarHBondContact O-OG 3.11Å
407E92.3Very high87.3Confident106 Ų10685.8 Ų85.850%0.49546%0.461SS..Hα-helixtrans-71.5-43.3176.1-178.1-177.6-151.800110.9N404 A409 S410 L411N404-E407 HydrophobicContact CB-CB 4.44Å; N404-E407 PolarHBondContact ND2-OE2 3.4Å; N404-E407 WeakPolarHBondContact O-CB 3.22Å; N404-E407 PolarHBondContact O-N 2.6Å; N404-E407 VanDerWaalsContact O-N 3.09Å; E407-A409 VanDerWaalsContact C-N 3.29Å; E407-A409 PolarHBondContact O-N 3.49Å; E407-S410 PolarHBondContact O-N 3.37Å; E407-S410 PolarHBondContact O-OG 3.22Å; E407-L411 HydrophobicContact CG-CD1 4.26Å; E407-L411 WeakPolarHBondContact O-CB 3.5Å; E407-L411 VanDerWaalsContact O-CG 3.29Å; E407-L411 WeakPolarHBondContact O-CG 2.95Å; E407-L411 PolarHBondContact O-N 3.38Å
408I89.8Confident87.4Confident99 Ų9985.5 Ų85.551%0.50846%0.456SS..Hα-helixtrans-59-43.4171.9-66.3164.3000110.2N404 S410 L411 D412N404-I408 WeakPolarHBondContact O-CG1 3.31Å; N404-I408 PolarHBondContact O-N 3.49Å; I408-S410 PolarHBondContact O-N 3.01Å; I408-L411 PolarHBondContact O-N 3.28Å; I408-D412 WeakPolarHBondContact O-CB 3.42Å; I408-D412 PolarHBondContact O-N 3.24Å
409A89.6Confident87.5Confident48 Ų4881.4 Ų81.440%0.39744%0.438SS..Hα-helixtrans-65.4-35.7178.200000113.7Q405 Q406 E407 N413Q405-A409 WeakPolarHBondContact O-CB 3.28Å; Q405-A409 PolarHBondContact O-N 3.48Å; Q406-A409 PolarHBondContact O-N 3.14Å; E407-A409 VanDerWaalsContact C-N 3.29Å; E407-A409 PolarHBondContact O-N 3.49Å; A409-N413 VanDerWaalsContact O-CG 3.27Å; A409-N413 PolarHBondContact O-N 3.09Å; A409-N413 PolarHBondContact O-OD1 3.38Å; A409-N413 VanDerWaalsContact O-OD1 3.06Å
410S92.3Very high87.5Confident63 Ų6385 Ų8544%0.44145%0.454SS..Hα-helixtrans-77.1-33.817767.80000112.6Q406 E407 I408 N413 K414Q406-S410 PolarHBondContact O-N 3.01Å; Q406-S410 PolarHBondContact O-OG 3.11Å; E407-S410 PolarHBondContact O-N 3.37Å; E407-S410 PolarHBondContact O-OG 3.22Å; I408-S410 PolarHBondContact O-N 3.01Å; S410-N413 WeakPolarHBondContact O-CB 3.47Å; S410-N413 PolarHBondContact O-N 3.11Å; S410-K414 PolarHBondContact O-N 3.31Å; S410-K414 VanDerWaalsContact O-N 3.12Å
411L93.2Very high87.9Confident93 Ų9381.5 Ų81.549%0.48744%0.44SS..Hα-helixtrans-63.4-41168.5-70.2170.8000111.3E407 I408 N413 K414 I415E407-L411 HydrophobicContact CG-CD1 4.26Å; E407-L411 WeakPolarHBondContact O-CB 3.5Å; E407-L411 VanDerWaalsContact O-CG 3.29Å; E407-L411 WeakPolarHBondContact O-CG 2.95Å; E407-L411 PolarHBondContact O-N 3.38Å; I408-L411 PolarHBondContact O-N 3.28Å; L411-N413 PolarHBondContact O-N 3.1Å; L411-K414 PolarHBondContact O-N 3.27Å; L411-I415 WeakPolarHBondContact O-CG1 3.38Å; L411-I415 PolarHBondContact O-N 2.9Å
412D90.9Very high88.3Confident43 Ų4381.6 Ų81.623%0.2344%0.436CS..Hα-helixtrans-65.7-34.3174.9-96.68.9000113.4K129 I408 H416K129-D412 WeakPolarHBondContact CE-OD1 3.47Å; K129-D412 VanDerWaalsContact CE-OD2 3.23Å; K129-D412 WeakPolarHBondContact CE-OD2 3.03Å; K129-D412 IonicContact NZ-OD1 3.08Å; K129-D412 PolarHBondContact NZ-OD1 3.25Å; K129-D412 IonicContact NZ-OD2 2.58Å; K129-D412 PolarHBondContact NZ-OD2 2.65Å; I408-D412 WeakPolarHBondContact O-CB 3.42Å; I408-D412 PolarHBondContact O-N 3.24Å; D412-H416 WeakPolarHBondContact O-CB 3.38Å; D412-H416 PolarHBondContact O-N 3.03Å
413N90.6Very high89.2Confident54 Ų5479.5 Ų79.529%0.28942%0.421SS..Hα-helixtrans-57.7-53.9168.3-63.3-12.3000109.9R124 A409 S410 L411 I415 H416 E417R124-N413 PolarHBondContact NH1-OD1 2.85Å; R124-N413 PolarHBondContact NH2-OD1 3.04Å; A409-N413 VanDerWaalsContact O-CG 3.27Å; A409-N413 PolarHBondContact O-N 3.09Å; A409-N413 PolarHBondContact O-OD1 3.38Å; A409-N413 VanDerWaalsContact O-OD1 3.06Å; S410-N413 WeakPolarHBondContact O-CB 3.47Å; S410-N413 PolarHBondContact O-N 3.11Å; L411-N413 PolarHBondContact O-N 3.1Å; N413-I415 VanDerWaalsContact C-N 3.33Å; N413-I415 PolarHBondContact O-N 2.9Å; N413-H416 WeakPolarHBondContact O-CB 3.27Å; N413-H416 PolarHBondContact O-N 3.48Å; N413-E417 WeakPolarHBondContact O-CG 3.2Å; N413-E417 PolarHBondContact O-N 3.36Å
414K94.8Very high90.2Very high137 Ų13781.2 Ų81.260%0.59642%0.419SS*.Hα-helixtrans-64.5-36.1-174-170171.9-176.7175.20112.5S410 L411 T418S410-K414 PolarHBondContact O-N 3.31Å; S410-K414 VanDerWaalsContact O-N 3.12Å; L411-K414 PolarHBondContact O-N 3.27Å; K414-T418 VanDerWaalsContact O-CB 3.26Å; K414-T418 WeakPolarHBondContact O-CB 3.48Å; K414-T418 PolarHBondContact O-N 2.82Å; K414-T418 PolarHBondContact O-OG1 2.75Å
415I91.4Very high90.9Very high56 Ų5681.1 Ų81.129%0.28742%0.418SS..Hα-helixtrans-60.2-48.2171.8-73.8166000110.3Y145 L411 N413 T418 I419Y145-I415 VanDerWaalsContact OH-CG2 3.27Å; Y145-I415 WeakPolarHBondContact OH-CG2 3.35Å; L411-I415 WeakPolarHBondContact O-CG1 3.38Å; L411-I415 PolarHBondContact O-N 2.9Å; N413-I415 VanDerWaalsContact C-N 3.33Å; N413-I415 PolarHBondContact O-N 2.9Å; I415-T418 PolarHBondContact O-N 2.79Å; I415-I419 HydrophobicContact CG2-CD1 3.83Å; I415-I419 VanDerWaalsContact O-CG1 3.3Å; I415-I419 WeakPolarHBondContact O-CG1 3.48Å; I415-I419 PolarHBondContact O-N 3.33Å
416H88.8Confident91.2Very high64 Ų6477.9 Ų77.930%0.29640%0.402SS..Hα-helixtrans-65.3-47.4-179-175.158.3000112.6D128 D412 N413 T418 I419 E420D128-H416 PolarHBondContact O-ND1 3.09Å; D128-H416 VanDerWaalsContact O-ND1 3.14Å; D412-H416 WeakPolarHBondContact O-CB 3.38Å; D412-H416 PolarHBondContact O-N 3.03Å; N413-H416 WeakPolarHBondContact O-CB 3.27Å; N413-H416 PolarHBondContact O-N 3.48Å; H416-T418 VanDerWaalsContact C-N 3.29Å; H416-T418 PolarHBondContact O-N 2.81Å; H416-I419 PolarHBondContact O-N 3.27Å; H416-I419 VanDerWaalsContact O-N 3.15Å; H416-E420 PolarHBondContact O-N 2.91Å
417E92.1Very high91.4Very high117 Ų11774.9 Ų74.955%0.54739%0.391SS..Hα-helixtrans-57-41.3174.4-69.5158.9-159.300111.8N413 E420 S421N413-E417 WeakPolarHBondContact O-CG 3.2Å; N413-E417 PolarHBondContact O-N 3.36Å; E417-E420 PolarHBondContact O-N 3.31Å; E417-S421 WeakPolarHBondContact O-CB 3.5Å; E417-S421 PolarHBondContact O-N 2.73Å
418T92.4Very high91.5Very high71 Ų7175.2 Ų75.244%0.43639%0.392SS..Hα-helixtrans-67.1-41176.7-56.80000111.6K414 I415 H416 S421 I422K414-T418 VanDerWaalsContact O-CB 3.26Å; K414-T418 WeakPolarHBondContact O-CB 3.48Å; K414-T418 PolarHBondContact O-N 2.82Å; K414-T418 PolarHBondContact O-OG1 2.75Å; I415-T418 PolarHBondContact O-N 2.79Å; H416-T418 VanDerWaalsContact C-N 3.29Å; H416-T418 PolarHBondContact O-N 2.81Å; T418-S421 PolarHBondContact O-N 2.91Å; T418-I422 HydrophobicContact CG2-CD1 3.94Å; T418-I422 WeakPolarHBondContact O-CB 3.38Å; T418-I422 VanDerWaalsContact O-CG1 3.24Å; T418-I422 WeakPolarHBondContact O-CG1 3.23Å; T418-I422 PolarHBondContact O-N 3.31Å
419I90.3Very high91.7Very high11 Ų1176 Ų766%0.05639%0.389CS..Hα-helixtrans-65.6-39.7175.9-71.7168.6000111.2K129 L131 Y145 I415 H416 I422 N423K129-I419 WeakPolarHBondContact O-CD1 3.37Å; L131-I419 HydrophobicContact CD2-CG1 4.12Å; Y145-I419 HydrophobicContact CE1-CD1 4.4Å; I415-I419 HydrophobicContact CG2-CD1 3.83Å; I415-I419 VanDerWaalsContact O-CG1 3.3Å; I415-I419 WeakPolarHBondContact O-CG1 3.48Å; I415-I419 PolarHBondContact O-N 3.33Å; H416-I419 PolarHBondContact O-N 3.27Å; H416-I419 VanDerWaalsContact O-N 3.15Å; I419-I422 PolarHBondContact O-N 2.62Å; I419-N423 VanDerWaalsContact O-CG 3.28Å; I419-N423 PolarHBondContact O-N 2.86Å; I419-N423 PolarHBondContact O-ND2 3.35Å
420E89.6Confident91.8Very high102 Ų10276 Ų7648%0.47738%0.382SS..Hα-helixtrans-63-47.8174.8-164.3-174.7161.200111.3H416 E417 I422 N423 Q424H416-E420 PolarHBondContact O-N 2.91Å; E417-E420 PolarHBondContact O-N 3.31Å; E420-I422 VanDerWaalsContact C-N 3.34Å; E420-I422 PolarHBondContact O-N 3.4Å; E420-N423 WeakPolarHBondContact O-CB 3.37Å; E420-N423 PolarHBondContact O-N 3.2Å; E420-Q424 WeakPolarHBondContact O-CG 3.41Å; E420-Q424 PolarHBondContact O-N 3.15Å; E420-Q424 PolarHBondContact OE1-NE2 3.44Å
421S93.9Very high91.9Very high57 Ų5776.7 Ų76.740%0.39938%0.378SS..Hα-helixtrans-57-45.2174.9-1780000112.2E417 T418 N423 Q424 L425E417-S421 WeakPolarHBondContact O-CB 3.5Å; E417-S421 PolarHBondContact O-N 2.73Å; T418-S421 PolarHBondContact O-N 2.91Å; S421-N423 VanDerWaalsContact C-N 3.32Å; S421-N423 PolarHBondContact O-N 2.93Å; S421-Q424 PolarHBondContact O-N 3.02Å; S421-L425 WeakPolarHBondContact O-CB 3.45Å; S421-L425 VanDerWaalsContact O-CG 3.32Å; S421-L425 WeakPolarHBondContact O-CG 3.38Å; S421-L425 PolarHBondContact O-N 3.07Å
422I91.1Very high92Very high60 Ų6077.8 Ų77.831%0.30838%0.382SS..Hα-helixtrans-58.1-42173.8-75.1166.8000111.5L131 I135 T418 I419 E420 K426L131-I422 HydrophobicContact CD2-CG2 4.36Å; I135-I422 HydrophobicContact CD1-CG2 3.74Å; I135-I422 HydrophobicContact CG2-CG2 3.86Å; T418-I422 HydrophobicContact CG2-CD1 3.94Å; T418-I422 WeakPolarHBondContact O-CB 3.38Å; T418-I422 VanDerWaalsContact O-CG1 3.24Å; T418-I422 WeakPolarHBondContact O-CG1 3.23Å; T418-I422 PolarHBondContact O-N 3.31Å; I419-I422 PolarHBondContact O-N 2.62Å; E420-I422 VanDerWaalsContact C-N 3.34Å; E420-I422 PolarHBondContact O-N 3.4Å; I422-K426 WeakPolarHBondContact O-CB 3.46Å; I422-K426 PolarHBondContact O-N 2.82Å
423N89.3Confident92.1Very high47 Ų4778.6 Ų78.625%0.25139%0.386SS..Hα-helixtrans-66-44176.9-73-42.4000112.2P132 I135 I419 E420 S421 K426 I427P132-N423 WeakPolarHBondContact CG-OD1 3.43Å; I135-N423 VanDerWaalsContact CD1-OD1 3.25Å; I135-N423 WeakPolarHBondContact CD1-OD1 3.5Å; I419-N423 VanDerWaalsContact O-CG 3.28Å; I419-N423 PolarHBondContact O-N 2.86Å; I419-N423 PolarHBondContact O-ND2 3.35Å; E420-N423 WeakPolarHBondContact O-CB 3.37Å; E420-N423 PolarHBondContact O-N 3.2Å; S421-N423 VanDerWaalsContact C-N 3.32Å; S421-N423 PolarHBondContact O-N 2.93Å; N423-K426 PolarHBondContact O-N 2.77Å; N423-I427 WeakPolarHBondContact O-CG1 3.46Å; N423-I427 PolarHBondContact O-N 3.19Å
424Q91.7Very high92.3Very high97 Ų9778 Ų7845%0.45339%0.385SS..Hα-helixtrans-62.8-49.7177.5-67.4178.315.600111.5E420 S421 K426 I427 Q428E420-Q424 WeakPolarHBondContact O-CG 3.41Å; E420-Q424 PolarHBondContact O-N 3.15Å; E420-Q424 PolarHBondContact OE1-NE2 3.44Å; S421-Q424 PolarHBondContact O-N 3.02Å; Q424-K426 VanDerWaalsContact C-N 3.27Å; Q424-K426 PolarHBondContact O-N 3.14Å; Q424-I427 WeakPolarHBondContact O-CB 3.24Å; Q424-I427 PolarHBondContact O-N 2.9Å; Q424-I427 VanDerWaalsContact O-N 3.13Å; Q424-Q428 WeakPolarHBondContact O-CG 3.23Å; Q424-Q428 PolarHBondContact O-N 3.31Å
425L93.3Very high92.3Very high99 Ų9975.8 Ų75.852%0.51838%0.376SS..Hα-helixtrans-59.8-37.4175.7-71.2170.4000111.9S421 Q428 R429S421-L425 WeakPolarHBondContact O-CB 3.45Å; S421-L425 VanDerWaalsContact O-CG 3.32Å; S421-L425 WeakPolarHBondContact O-CG 3.38Å; S421-L425 PolarHBondContact O-N 3.07Å; L425-Q428 PolarHBondContact O-N 2.97Å; L425-R429 WeakPolarHBondContact O-CB 3.42Å; L425-R429 PolarHBondContact O-N 2.93Å
426K91.5Very high92.6Very high34 Ų3477 Ų7715%0.14839%0.39CS..Hα-helixtrans-70.9-31.8176.7-176.9-97167.3-153.90112.8I135 I422 N423 Q424 D430I135-K426 HydrophobicContact CD1-CB 3.85Å; I135-K426 HydrophobicContact CD1-CD 3.97Å; I135-K426 HydrophobicContact CD1-CG 3.87Å; I135-K426 HydrophobicContact CG1-CB 4.39Å; I135-K426 HydrophobicContact CG1-CD 3.91Å; I135-K426 HydrophobicContact CG1-CG 3.87Å; I422-K426 WeakPolarHBondContact O-CB 3.46Å; I422-K426 PolarHBondContact O-N 2.82Å; N423-K426 PolarHBondContact O-N 2.77Å; Q424-K426 VanDerWaalsContact C-N 3.27Å; Q424-K426 PolarHBondContact O-N 3.14Å; K426-D430 WeakPolarHBondContact CE-OD2 3.46Å; K426-D430 IonicContact NZ-OD1 3.47Å; K426-D430 IonicContact NZ-OD2 2.76Å; K426-D430 PolarHBondContact NZ-OD2 3.3Å; K426-D430 WeakPolarHBondContact O-CB 3.29Å; K426-D430 PolarHBondContact O-N 2.84Å
427I91.6Very high92.9Very high114 Ų11484 Ų8459%0.58541%0.413SS*.Hα-helixtrans-65.8-45.8170.3-71.3158.4000110.3N423 Q424 R429 D430 F431N423-I427 WeakPolarHBondContact O-CG1 3.46Å; N423-I427 PolarHBondContact O-N 3.19Å; Q424-I427 WeakPolarHBondContact O-CB 3.24Å; Q424-I427 PolarHBondContact O-N 2.9Å; Q424-I427 VanDerWaalsContact O-N 3.13Å; I427-R429 PolarHBondContact O-N 3.1Å; I427-D430 PolarHBondContact O-N 2.88Å; I427-F431 WeakPolarHBondContact O-CB 3.14Å; I427-F431 PolarHBondContact O-N 3.49Å
428Q93.8Very high93.1Very high114 Ų11482.4 Ų82.453%0.53341%0.409SS..Hα-helixtrans-61-44.6176.6-66.6172.34.900111.9Q424 L425 F431 M432Q424-Q428 WeakPolarHBondContact O-CG 3.23Å; Q424-Q428 PolarHBondContact O-N 3.31Å; L425-Q428 PolarHBondContact O-N 2.97Å; Q428-F431 WeakPolarHBondContact O-CB 3.49Å; Q428-F431 PolarHBondContact O-N 3.4Å; Q428-M432 WeakPolarHBondContact O-CG 3.45Å; Q428-M432 PolarHBondContact O-N 2.93Å
429R93.1Very high93.3Very high114 Ų11481.9 Ų81.943%0.4341%0.407SS..Hα-helixtrans-58.4-48.5174.7179.1-174.4173.4-81.64.3111.9L425 I427 M432 L433L425-R429 WeakPolarHBondContact O-CB 3.42Å; L425-R429 PolarHBondContact O-N 2.93Å; I427-R429 PolarHBondContact O-N 3.1Å; R429-M432 PolarHBondContact O-N 2.93Å; R429-L433 HydrophobicContact CG-CD1 3.89Å; R429-L433 HydrophobicContact CG-CG 4.5Å; R429-L433 VanDerWaalsContact CZ-CD1 3.49Å; R429-L433 WeakPolarHBondContact O-CB 3.37Å; R429-L433 VanDerWaalsContact O-CG 3.31Å; R429-L433 WeakPolarHBondContact O-CG 3.27Å; R429-L433 PolarHBondContact O-N 2.9Å
430D91.8Very high93.5Very high49 Ų4989.5 Ų89.526%0.26244%0.44SS..Hα-helixtrans-63.9-42.5-179.8-81.217.9000111.4K426 I427 M432 L433 S434K426-D430 WeakPolarHBondContact CE-OD2 3.46Å; K426-D430 IonicContact NZ-OD1 3.47Å; K426-D430 IonicContact NZ-OD2 2.76Å; K426-D430 PolarHBondContact NZ-OD2 3.3Å; K426-D430 WeakPolarHBondContact O-CB 3.29Å; K426-D430 PolarHBondContact O-N 2.84Å; I427-D430 PolarHBondContact O-N 2.88Å; D430-M432 PolarHBondContact O-N 3.41Å; D430-L433 PolarHBondContact O-N 2.97Å; D430-S434 PolarHBondContact O-N 3.17Å; D430-S434 PolarHBondContact O-OG 2.82Å
431F94.1Very high93.8Very high78 Ų7885.5 Ų85.534%0.34243%0.426SS..Hα-helixtrans-54-52.6174.2179.3-73.7000111.4I427 Q428 L433 S434 F435 Y442I427-F431 WeakPolarHBondContact O-CB 3.14Å; I427-F431 PolarHBondContact O-N 3.49Å; Q428-F431 WeakPolarHBondContact O-CB 3.49Å; Q428-F431 PolarHBondContact O-N 3.4Å; F431-L433 VanDerWaalsContact C-N 3.34Å; F431-L433 PolarHBondContact O-N 2.75Å; F431-S434 WeakPolarHBondContact CA-OG 3.04Å; F431-S434 PolarHBondContact O-N 2.83Å; F431-S434 PolarHBondContact O-OG 3.28Å; F431-F435 PolarHBondContact O-N 2.97Å; F431-Y442 HydrophobicContact CD1-CE1 4.5Å; F431-Y442 HydrophobicContact CD2-CE1 4.22Å; F431-Y442 WeakPolarHBondContact CD2-OH 3.38Å; F431-Y442 HydrophobicContact CE1-CE1 4.26Å; F431-Y442 AromaticContact CE2-CE1 3.97Å; F431-Y442 HydrophobicContact CE2-CE1 3.97Å; F431-Y442 WeakPolarHBondContact CE2-OH 3.41Å; F431-Y442 HydrophobicContact CG-CE1 4.46Å; F431-Y442 AromaticContact CZ-CE1 3.98Å; F431-Y442 HydrophobicContact CZ-CE1 3.98Å
432M95.4Very high93.9Very high116 Ų11685.4 Ų85.457%0.57142%0.417SS*.Hα-helixtrans-66.4-36.4-178.1-64.4-62.2164.400111.8Q428 R429 D430 F435 S436Q428-M432 WeakPolarHBondContact O-CG 3.45Å; Q428-M432 PolarHBondContact O-N 2.93Å; R429-M432 PolarHBondContact O-N 2.93Å; D430-M432 PolarHBondContact O-N 3.41Å; M432-F435 PolarHBondContact O-N 2.67Å; M432-S436 WeakPolarHBondContact O-CB 3.41Å; M432-S436 PolarHBondContact O-N 3.1Å; M432-S436 PolarHBondContact O-OG 3.08Å
433L94.1Very high94.2Very high60 Ų6086.4 Ų86.431%0.31442%0.422SS..Hα-helixtrans-71.4-30.8175.2-73.8174.1000113.6R429 D430 F431 S436 R437R429-L433 HydrophobicContact CG-CD1 3.89Å; R429-L433 HydrophobicContact CG-CG 4.5Å; R429-L433 VanDerWaalsContact CZ-CD1 3.49Å; R429-L433 WeakPolarHBondContact O-CB 3.37Å; R429-L433 VanDerWaalsContact O-CG 3.31Å; R429-L433 WeakPolarHBondContact O-CG 3.27Å; R429-L433 PolarHBondContact O-N 2.9Å; D430-L433 PolarHBondContact O-N 2.97Å; F431-L433 VanDerWaalsContact C-N 3.34Å; F431-L433 PolarHBondContact O-N 2.75Å; L433-S436 PolarHBondContact O-OG 3.16Å; L433-R437 WeakPolarHBondContact O-CB 3.41Å; L433-R437 VanDerWaalsContact O-CD 3.26Å; L433-R437 WeakPolarHBondContact O-CD 3.33Å; L433-R437 WeakPolarHBondContact O-CG 3.44Å; L433-R437 PolarHBondContact O-N 3.42Å
434S94.2Very high94.5Very high41 Ų4189.6 Ų89.629%0.28744%0.436SS..Hα-helixtrans-70.9-43.8171.641.70000111.6D430 F431 S436 R437 D438 Y442D430-S434 PolarHBondContact O-N 3.17Å; D430-S434 PolarHBondContact O-OG 2.82Å; F431-S434 WeakPolarHBondContact CA-OG 3.04Å; F431-S434 PolarHBondContact O-N 2.83Å; F431-S434 PolarHBondContact O-OG 3.28Å; S434-S436 PolarHBondContact O-N 3.07Å; S434-R437 PolarHBondContact O-N 2.89Å; S434-D438 PolarHBondContact O-N 3.08Å; S434-Y442 WeakPolarHBondContact OG-CD2 3.46Å; S434-Y442 WeakPolarHBondContact OG-CE2 3.42Å
435F95.6Very high94.7Very high90 Ų9089.3 Ų89.340%0.39544%0.437SS..Hα-helixtrans-61.1-42175.1-179.2-90.2000112.1F431 M432 R437 D438 P439 Y442 I443F431-F435 PolarHBondContact O-N 2.97Å; M432-F435 PolarHBondContact O-N 2.67Å; F435-R437 PolarHBondContact O-N 2.99Å; F435-D438 CarbonylContact O-C 3.58Å; F435-P439 HydrophobicContact CD2-CB 4.25Å; F435-P439 HydrophobicContact CE1-CB 4.24Å; F435-P439 HydrophobicContact CE2-CB 3.97Å; F435-P439 HydrophobicContact CZ-CB 3.96Å; F435-P439 VanDerWaalsContact O-CA 3.26Å; F435-P439 WeakPolarHBondContact O-CA 3.4Å; F435-P439 WeakPolarHBondContact O-CB 3.29Å; F435-P439 WeakPolarHBondContact O-CD 3.43Å; F435-P439 VanDerWaalsContact O-N 3.11Å; F435-Y442 HydrophobicContact CB-CD1 3.94Å; F435-Y442 HydrophobicContact CB-CE1 4.39Å; F435-Y442 HydrophobicContact CB-CG 4.46Å; F435-Y442 HydrophobicContact CD2-CD1 4.05Å; F435-I443 HydrophobicContact CD2-CG1 4.49Å; F435-I443 HydrophobicContact CE2-CD1 4.01Å; F435-I443 HydrophobicContact CE2-CG1 4.02Å
436S97.1Very high94.8Very high83 Ų8389.8 Ų89.858%0.5843%0.432SS*.THydrogen-bonded Turntrans-74.5-8.8-179.678.10000114.4M432 L433 S434M432-S436 WeakPolarHBondContact O-CB 3.41Å; M432-S436 PolarHBondContact O-N 3.1Å; M432-S436 PolarHBondContact O-OG 3.08Å; L433-S436 PolarHBondContact O-OG 3.16Å; S434-S436 PolarHBondContact O-N 3.07Å
437R96.1Very high95Very high209 Ų20992.9 Ų92.979%0.78945%0.45SS*.THydrogen-bonded Turntrans-95.6-45.2178.9-78.7171.8178.5-159.7-2.4112.6L433 S434 F435L433-R437 WeakPolarHBondContact O-CB 3.41Å; L433-R437 VanDerWaalsContact O-CD 3.26Å; L433-R437 WeakPolarHBondContact O-CD 3.33Å; L433-R437 WeakPolarHBondContact O-CG 3.44Å; L433-R437 PolarHBondContact O-N 3.42Å; S434-R437 PolarHBondContact O-N 2.89Å; F435-R437 PolarHBondContact O-N 2.99Å
438D95.6Very high95Very high84 Ų8492.4 Ų92.445%0.44944%0.443SS..  trans-144.892.5169.117510.2000109S434 F435 K440 G441 Y442S434-D438 PolarHBondContact O-N 3.08Å; F435-D438 CarbonylContact O-C 3.58Å; D438-K440 PolarHBondContact O-N 2.71Å; D438-K440 PolarHBondContact OD1-N 3.05Å; D438-G441 VanDerWaalsContact CG-N 3.28Å; D438-G441 PolarHBondContact OD1-N 3.24Å; D438-G441 VanDerWaalsContact OD2-CA 3.29Å; D438-G441 WeakPolarHBondContact OD2-CA 3.14Å; D438-G441 PolarHBondContact OD2-N 3.1Å; D438-Y442 WeakPolarHBondContact O-CB 3.48Å; D438-Y442 PolarHBondContact O-N 3.28Å
439P95.8Very high95.1Very high61 Ų6189.2 Ų89.240%0.39643%0.433SS..Hα-helixtrans-67-26.7-179.225.6-33.1000112.1F435 I443F435-P439 HydrophobicContact CD2-CB 4.25Å; F435-P439 HydrophobicContact CE1-CB 4.24Å; F435-P439 HydrophobicContact CE2-CB 3.97Å; F435-P439 HydrophobicContact CZ-CB 3.96Å; F435-P439 VanDerWaalsContact O-CA 3.26Å; F435-P439 WeakPolarHBondContact O-CA 3.4Å; F435-P439 WeakPolarHBondContact O-CB 3.29Å; F435-P439 WeakPolarHBondContact O-CD 3.43Å; F435-P439 VanDerWaalsContact O-N 3.11Å; P439-I443 WeakPolarHBondContact O-CB 3.33Å; P439-I443 VanDerWaalsContact O-CD1 3.32Å; P439-I443 WeakPolarHBondContact O-CD1 3.48Å; P439-I443 WeakPolarHBondContact O-CG1 3.28Å; P439-I443 PolarHBondContact O-N 3.31Å
440K95.4Very high95.2Very high171 Ų17188.1 Ų88.174%0.74343%0.433SS*.Hα-helixtrans-76.1-52.4-177.4-178-177.7174.4-175.60110.8D438 Y442 Q444D438-K440 PolarHBondContact O-N 2.71Å; D438-K440 PolarHBondContact OD1-N 3.05Å; K440-Y442 VanDerWaalsContact C-N 3.31Å; K440-Q444 PolarHBondContact O-N 3.45Å
441G96Very high95.2Very high18 Ų1888.6 Ų88.619%0.18644%0.44CS..Hα-helixtrans-60.8-42.9174.200000111.2D438 Q444 D445D438-G441 VanDerWaalsContact CG-N 3.28Å; D438-G441 PolarHBondContact OD1-N 3.24Å; D438-G441 VanDerWaalsContact OD2-CA 3.29Å; D438-G441 WeakPolarHBondContact OD2-CA 3.14Å; D438-G441 PolarHBondContact OD2-N 3.1Å; G441-Q444 PolarHBondContact O-N 2.8Å; G441-D445 PolarHBondContact O-N 2.63Å
442Y96.5Very high95Very high54 Ų5492.6 Ų92.621%0.21245%0.453CS..Hα-helixtrans-63.8-44.4179.9-168-99.2000113.6F431 S434 F435 D438 K440 Q444 D445 W446F431-Y442 HydrophobicContact CD1-CE1 4.5Å; F431-Y442 HydrophobicContact CD2-CE1 4.22Å; F431-Y442 WeakPolarHBondContact CD2-OH 3.38Å; F431-Y442 HydrophobicContact CE1-CE1 4.26Å; F431-Y442 AromaticContact CE2-CE1 3.97Å; F431-Y442 HydrophobicContact CE2-CE1 3.97Å; F431-Y442 WeakPolarHBondContact CE2-OH 3.41Å; F431-Y442 HydrophobicContact CG-CE1 4.46Å; F431-Y442 AromaticContact CZ-CE1 3.98Å; F431-Y442 HydrophobicContact CZ-CE1 3.98Å; S434-Y442 WeakPolarHBondContact OG-CD2 3.46Å; S434-Y442 WeakPolarHBondContact OG-CE2 3.42Å; F435-Y442 HydrophobicContact CB-CD1 3.94Å; F435-Y442 HydrophobicContact CB-CE1 4.39Å; F435-Y442 HydrophobicContact CB-CG 4.46Å; F435-Y442 HydrophobicContact CD2-CD1 4.05Å; D438-Y442 WeakPolarHBondContact O-CB 3.48Å; D438-Y442 PolarHBondContact O-N 3.28Å; K440-Y442 VanDerWaalsContact C-N 3.31Å; Y442-Q444 VanDerWaalsContact C-N 3.29Å; Y442-Q444 PolarHBondContact O-N 2.77Å; Y442-D445 PolarHBondContact O-N 3.32Å; Y442-W446 HydrophobicContact CE1-CB 4.39Å; Y442-W446 VanDerWaalsContact O-CB 3.23Å; Y442-W446 WeakPolarHBondContact O-CB 3.15Å; Y442-W446 PolarHBondContact O-N 2.96Å
443I96.3Very high95Very high82 Ų8290 Ų9042%0.42144%0.441SS..Hα-helixtrans-59.6-42.8174-71.9165.1000110.4F435 P439 D445 W446 L447F435-I443 HydrophobicContact CD2-CG1 4.49Å; F435-I443 HydrophobicContact CE2-CD1 4.01Å; F435-I443 HydrophobicContact CE2-CG1 4.02Å; P439-I443 WeakPolarHBondContact O-CB 3.33Å; P439-I443 VanDerWaalsContact O-CD1 3.32Å; P439-I443 WeakPolarHBondContact O-CD1 3.48Å; P439-I443 WeakPolarHBondContact O-CG1 3.28Å; P439-I443 PolarHBondContact O-N 3.31Å; I443-D445 PolarHBondContact O-N 3.35Å; I443-W446 PolarHBondContact O-N 3.27Å; I443-L447 HydrophobicContact CG2-CD1 3.98Å; I443-L447 HydrophobicContact CG2-CG 4.46Å; I443-L447 WeakPolarHBondContact O-CB 3.39Å; I443-L447 VanDerWaalsContact O-CG 3.29Å; I443-L447 WeakPolarHBondContact O-CG 3.42Å; I443-L447 PolarHBondContact O-N 3.28Å
444Q96Very high94.8Very high114 Ų11492.3 Ų92.353%0.53345%0.454SS..Hα-helixtrans-64.9-41.1-179-163.1-173.8-400112.2K440 G441 Y442 K448K440-Q444 PolarHBondContact O-N 3.45Å; G441-Q444 PolarHBondContact O-N 2.8Å; Y442-Q444 VanDerWaalsContact C-N 3.29Å; Y442-Q444 PolarHBondContact O-N 2.77Å; Q444-K448 WeakPolarHBondContact O-CG 3.33Å; Q444-K448 PolarHBondContact O-N 2.79Å
445D95.6Very high94.7Very high91 Ų9192.7 Ų92.749%0.48745%0.45SS..Hα-helixtrans-76-32.4177.8-76-13.4000113G441 Y442 I443 K448 S449G441-D445 PolarHBondContact O-N 2.63Å; Y442-D445 PolarHBondContact O-N 3.32Å; I443-D445 PolarHBondContact O-N 3.35Å; D445-K448 WeakPolarHBondContact O-CB 3.13Å; D445-K448 PolarHBondContact O-N 2.97Å; D445-K448 WeakPolarHBondContact OD1-CD 3.44Å; D445-K448 WeakPolarHBondContact OD1-CE 3.43Å; D445-K448 IonicContact OD1-NZ 2.65Å; D445-K448 PolarHBondContact OD1-NZ 3.3Å; D445-S449 PolarHBondContact O-N 2.92Å
446W95.4Very high94.5Very high108 Ų10894.3 Ų94.341%0.40946%0.463SS..Hα-helixtrans-63.1-44.4171.5-178.572.7000111.5Y442 I443 K448 S449 Q450Y442-W446 HydrophobicContact CE1-CB 4.39Å; Y442-W446 VanDerWaalsContact O-CB 3.23Å; Y442-W446 WeakPolarHBondContact O-CB 3.15Å; Y442-W446 PolarHBondContact O-N 2.96Å; I443-W446 PolarHBondContact O-N 3.27Å; W446-K448 VanDerWaalsContact C-N 3.33Å; W446-K448 PolarHBondContact O-N 2.81Å; W446-S449 PolarHBondContact O-N 3.2Å; W446-S449 VanDerWaalsContact O-N 3.14Å; W446-Q450 HydrophobicContact CD2-CG 3.91Å; W446-Q450 VanDerWaalsContact CE2-CG 3.43Å; W446-Q450 HydrophobicContact CE3-CG 4.39Å; W446-Q450 HydrophobicContact CG-CG 4.42Å; W446-Q450 HydrophobicContact CH2-CG 4.09Å; W446-Q450 HydrophobicContact CZ2-CG 3.55Å; W446-Q450 HydrophobicContact CZ3-CG 4.47Å; W446-Q450 WeakPolarHBondContact O-CG 3.29Å; W446-Q450 PolarHBondContact O-N 2.66Å
447L95.1Very high94.2Very high99 Ų9998.2 Ų98.252%0.51847%0.473SS..Hα-helixtrans-60.8-39.4174-71.7169.8000112.3I443 S451I443-L447 HydrophobicContact CG2-CD1 3.98Å; I443-L447 HydrophobicContact CG2-CG 4.46Å; I443-L447 WeakPolarHBondContact O-CB 3.39Å; I443-L447 VanDerWaalsContact O-CG 3.29Å; I443-L447 WeakPolarHBondContact O-CG 3.42Å; I443-L447 PolarHBondContact O-N 3.28Å; L447-S451 VanDerWaalsContact O-CB 3.3Å; L447-S451 WeakPolarHBondContact O-CB 3.44Å; L447-S451 PolarHBondContact O-N 2.65Å
448K93.2Very high94Very high105 Ų10591.7 Ų91.746%0.45746%0.457SS..Hα-helixtrans-62.6-41.9172.8-68.1168.3-160.2159.90111.8Q444 D445 W446 R452Q444-K448 WeakPolarHBondContact O-CG 3.33Å; Q444-K448 PolarHBondContact O-N 2.79Å; D445-K448 WeakPolarHBondContact O-CB 3.13Å; D445-K448 PolarHBondContact O-N 2.97Å; D445-K448 WeakPolarHBondContact OD1-CD 3.44Å; D445-K448 WeakPolarHBondContact OD1-CE 3.43Å; D445-K448 IonicContact OD1-NZ 2.65Å; D445-K448 PolarHBondContact OD1-NZ 3.3Å; W446-K448 VanDerWaalsContact C-N 3.33Å; W446-K448 PolarHBondContact O-N 2.81Å; K448-R452 WeakPolarHBondContact O-CB 3.4Å; K448-R452 PolarHBondContact O-N 3.45Å; K448-R452 VanDerWaalsContact O-N 3.1Å
449S94.9Very high93.6Very high46 Ų4694.6 Ų94.632%0.32247%0.472SS..Hα-helixtrans-63.9-58.1176.5-1590000110.3D445 W446 S451 R452 D453D445-S449 PolarHBondContact O-N 2.92Å; W446-S449 PolarHBondContact O-N 3.2Å; W446-S449 VanDerWaalsContact O-N 3.14Å; S449-S451 PolarHBondContact O-N 3.09Å; S449-S451 VanDerWaalsContact O-N 3.09Å; S449-R452 CarbonylContact O-C 3.6Å; S449-R452 WeakPolarHBondContact O-CA 3.48Å; S449-R452 WeakPolarHBondContact O-CB 3.21Å; S449-R452 PolarHBondContact O-N 3.35Å; S449-D453 WeakPolarHBondContact O-CB 3.29Å; S449-D453 PolarHBondContact O-N 3.01Å; S449-D453 PolarHBondContact OG-OD2 2.71Å
450Q94.9Very high93.3Very high91 Ų9195.3 Ų95.343%0.42548%0.476SS..Hα-helixtrans-56-35.4-178.3-65.6-57.2149.600112.8W446 L454W446-Q450 HydrophobicContact CD2-CG 3.91Å; W446-Q450 VanDerWaalsContact CE2-CG 3.43Å; W446-Q450 HydrophobicContact CE3-CG 4.39Å; W446-Q450 HydrophobicContact CG-CG 4.42Å; W446-Q450 HydrophobicContact CH2-CG 4.09Å; W446-Q450 HydrophobicContact CZ2-CG 3.55Å; W446-Q450 HydrophobicContact CZ3-CG 4.47Å; W446-Q450 WeakPolarHBondContact O-CG 3.29Å; W446-Q450 PolarHBondContact O-N 2.66Å; Q450-L454 WeakPolarHBondContact O-CB 3.33Å; Q450-L454 PolarHBondContact O-N 2.89Å
451S91.5Very high92.8Very high59 Ų5993.9 Ų93.941%0.41348%0.481SS..Hα-helixtrans-66.8-43.4173.7-174.60000112.7L447 S449 K455L447-S451 VanDerWaalsContact O-CB 3.3Å; L447-S451 WeakPolarHBondContact O-CB 3.44Å; L447-S451 PolarHBondContact O-N 2.65Å; S449-S451 PolarHBondContact O-N 3.09Å; S449-S451 VanDerWaalsContact O-N 3.09Å; S451-K455 WeakPolarHBondContact O-CG 3.49Å; S451-K455 PolarHBondContact O-N 2.89Å
452R91.4Very high92Very high163 Ų16394.6 Ų94.662%0.61549%0.488SS*.Hα-helixtrans-64.4-46.4174.8-178.8-172.3-63.4161.40.5111.7K448 S449 L454 K455 L456K448-R452 WeakPolarHBondContact O-CB 3.4Å; K448-R452 PolarHBondContact O-N 3.45Å; K448-R452 VanDerWaalsContact O-N 3.1Å; S449-R452 CarbonylContact O-C 3.6Å; S449-R452 WeakPolarHBondContact O-CA 3.48Å; S449-R452 WeakPolarHBondContact O-CB 3.21Å; S449-R452 PolarHBondContact O-N 3.35Å; R452-L454 VanDerWaalsContact C-N 3.34Å; R452-L454 PolarHBondContact O-N 2.97Å; R452-K455 WeakPolarHBondContact O-CB 3.48Å; R452-K455 PolarHBondContact O-N 3.07Å; R452-L456 HydrophobicContact CG-CD1 4.15Å; R452-L456 WeakPolarHBondContact O-CG 3.36Å; R452-L456 PolarHBondContact O-N 2.9Å
453D93.9Very high91.4Very high60 Ų6094.2 Ų94.232%0.32149%0.49SS..Hα-helixtrans-66.3-39.1-176.9-58.2-37.2000110.2S449 L456 M457S449-D453 WeakPolarHBondContact O-CB 3.29Å; S449-D453 PolarHBondContact O-N 3.01Å; S449-D453 PolarHBondContact OG-OD2 2.71Å; D453-L456 PolarHBondContact O-N 2.94Å; D453-M457 WeakPolarHBondContact O-CB 3.47Å; D453-M457 WeakPolarHBondContact O-CG 3.42Å; D453-M457 PolarHBondContact O-N 2.85Å
454L91.2Very high90.9Very high110 Ų11094 Ų9458%0.57649%0.494SS*.Hα-helixtrans-62.6-45.2170.918062.2000112.3Q450 R452 L456 M457 T458Q450-L454 WeakPolarHBondContact O-CB 3.33Å; Q450-L454 PolarHBondContact O-N 2.89Å; R452-L454 VanDerWaalsContact C-N 3.34Å; R452-L454 PolarHBondContact O-N 2.97Å; L454-L456 VanDerWaalsContact C-N 3.33Å; L454-L456 PolarHBondContact O-N 2.68Å; L454-M457 PolarHBondContact O-N 3.44Å; L454-T458 HydrophobicContact CD1-CG2 3.97Å; L454-T458 WeakPolarHBondContact O-CB 3.23Å; L454-T458 WeakPolarHBondContact O-CG2 3.4Å; L454-T458 PolarHBondContact O-N 2.82Å; L454-T458 VanDerWaalsContact O-N 3.12Å; L454-T458 PolarHBondContact O-OG1 2.73Å
455K90.7Very high90.4Very high49 Ų4993.2 Ų93.221%0.21349%0.49CS..Hα-helixtrans-58.7-43.5175.6-76.5-179-174-171.90111.7S451 R452 M457 T458 D459 V460 G462 N463S451-K455 WeakPolarHBondContact O-CG 3.49Å; S451-K455 PolarHBondContact O-N 2.89Å; R452-K455 WeakPolarHBondContact O-CB 3.48Å; R452-K455 PolarHBondContact O-N 3.07Å; K455-M457 PolarHBondContact O-N 2.91Å; K455-T458 PolarHBondContact O-N 3.42Å; K455-T458 PolarHBondContact O-OG1 2.76Å; K455-D459 PolarHBondContact O-N 3.05Å; K455-D459 VanDerWaalsContact O-N 3.09Å; K455-V460 WeakPolarHBondContact CB-O 3.38Å; K455-V460 HydrophobicContact CG-CB 4.3Å; K455-V460 HydrophobicContact CG-CG1 4.29Å; K455-V460 WeakPolarHBondContact CG-O 3.26Å; K455-V460 PolarHBondContact O-N 2.79Å; K455-V460 VanDerWaalsContact O-N 3.13Å; K455-G462 PolarHBondContact NZ-O 2.83Å; K455-N463 PolarHBondContact NZ-OD1 2.95Å
456L91.4Very high90Very high124 Ų12493.7 Ų93.765%0.64949%0.489SS*.Hα-helixtrans-65.6-32.8175.8-70.4170.8000113.3R452 D453 L454 T458R452-L456 HydrophobicContact CG-CD1 4.15Å; R452-L456 WeakPolarHBondContact O-CG 3.36Å; R452-L456 PolarHBondContact O-N 2.9Å; D453-L456 PolarHBondContact O-N 2.94Å; L454-L456 VanDerWaalsContact C-N 3.33Å; L454-L456 PolarHBondContact O-N 2.68Å; L456-T458 VanDerWaalsContact C-N 3.34Å
457M91Very high89.7Confident164 Ų16491.9 Ų91.981%0.80849%0.485SS*.Hα-helixtrans-80.3-10.8176.5-74.4-17667.400114.4D453 L454 K455D453-M457 WeakPolarHBondContact O-CB 3.47Å; D453-M457 WeakPolarHBondContact O-CG 3.42Å; D453-M457 PolarHBondContact O-N 2.85Å; L454-M457 PolarHBondContact O-N 3.44Å; K455-M457 PolarHBondContact O-N 2.91Å
458T91.7Very high89.6Confident72 Ų7296.6 Ų96.644%0.44250%0.496SS..Hα-helixtrans-1245-173.754.20000113.7L454 K455 L456 V460L454-T458 HydrophobicContact CD1-CG2 3.97Å; L454-T458 WeakPolarHBondContact O-CB 3.23Å; L454-T458 WeakPolarHBondContact O-CG2 3.4Å; L454-T458 PolarHBondContact O-N 2.82Å; L454-T458 VanDerWaalsContact O-N 3.12Å; L454-T458 PolarHBondContact O-OG1 2.73Å; K455-T458 PolarHBondContact O-N 3.42Å; K455-T458 PolarHBondContact O-OG1 2.76Å; L456-T458 VanDerWaalsContact C-N 3.34Å; T458-V460 PolarHBondContact O-N 2.54Å; T458-V460 VanDerWaalsContact O-N 3.12Å; T458-V460 VanDerWaalsContact OG1-CG2 3.3Å; T458-V460 WeakPolarHBondContact OG1-CG2 3.38Å
459D88.7Confident89.5Confident145 Ų14598.7 Ų98.778%0.77550%0.501SS*.THydrogen-bonded Turntrans51.725.2-171.6-64.9-44.8000113.9K455 V461K455-D459 PolarHBondContact O-N 3.05Å; K455-D459 VanDerWaalsContact O-N 3.09Å; D459-V461 PolarHBondContact O-N 2.68Å; D459-V461 VanDerWaalsContact O-N 3.08Å
460V87.9Confident89.4Confident77 Ų7799.5 Ų99.547%0.46751%0.511SS..  trans-79.595.1179.7174.50000109.8K455 T458K455-V460 WeakPolarHBondContact CB-O 3.38Å; K455-V460 HydrophobicContact CG-CB 4.3Å; K455-V460 HydrophobicContact CG-CG1 4.29Å; K455-V460 WeakPolarHBondContact CG-O 3.26Å; K455-V460 PolarHBondContact O-N 2.79Å; K455-V460 VanDerWaalsContact O-N 3.13Å; T458-V460 PolarHBondContact O-N 2.54Å; T458-V460 VanDerWaalsContact O-N 3.12Å; T458-V460 VanDerWaalsContact OG1-CG2 3.3Å; T458-V460 WeakPolarHBondContact OG1-CG2 3.38Å
461V84.8Confident89.3Confident141 Ų141101.3 Ų101.386%0.85552%0.519SS*.  trans-77.4151.4174.3-174.30000110.7D459D459-V461 PolarHBondContact O-N 2.68Å; D459-V461 VanDerWaalsContact O-N 3.08Å
462G78.9Confident89.2Confident32 Ų32101.4 Ų101.433%0.3351%0.512SS..SBendtrans93.8179.6174.900000114.3K455 E467K455-G462 PolarHBondContact NZ-O 2.83Å; G462-E467 VanDerWaalsContact CA-OE1 3.22Å; G462-E467 WeakPolarHBondContact CA-OE1 3.33Å
463N85Confident89.3Confident46 Ų4699.7 Ų99.725%0.24651%0.507CS..  trans-143.397.4168.7-160.819.4000110.5K455 E465 E466 E467K455-N463 PolarHBondContact NZ-OD1 2.95Å; N463-E465 PolarHBondContact O-N 2.83Å; N463-E466 HydrophobicContact CB-CB 4.22Å; N463-E466 HydrophobicContact CB-CG 4.35Å; N463-E466 PolarHBondContact ND2-OE1 2.88Å; N463-E466 PolarHBondContact O-N 2.85Å; N463-E467 PolarHBondContact N-OE1 2.94Å; N463-E467 PolarHBondContact O-N 2.91Å
464P85.6Confident89.2Confident78 Ų78104 Ų10451%0.50652%0.524SS..Hα-helixtrans-55.9-25.9-174.8-30.537000115.5R468P464-R468 VanDerWaalsContact O-CB 3.32Å; P464-R468 WeakPolarHBondContact O-CB 3.44Å; P464-R468 WeakPolarHBondContact O-CD 3.43Å; P464-R468 WeakPolarHBondContact O-CG 3.48Å; P464-R468 PolarHBondContact O-N 2.86Å; P464-R468 VanDerWaalsContact O-N 3.1Å
465E86.1Confident89.2Confident98 Ų98103.5 Ų103.546%0.45852%0.52SS..Hα-helixtrans-84.7-9.3177.4-69.9-60.2121.200114.6N463 R468 R469N463-E465 PolarHBondContact O-N 2.83Å; E465-R468 VanDerWaalsContact OE1-CD 3.31Å; E465-R468 WeakPolarHBondContact OE1-CD 3.05Å; E465-R468 IonicContact OE1-CZ 3.36Å; E465-R468 IonicContact OE1-NE 2.77Å; E465-R468 IonicContact OE1-NH1 3.71Å; E465-R468 PolarHBondContact OE1-NH1 3Å; E465-R469 WeakPolarHBondContact O-CG 3.3Å; E465-R469 PolarHBondContact O-NE 2.77Å
466E86.2Confident89.3Confident100 Ų100106.6 Ų106.647%0.46755%0.545SS..Hα-helixtrans-94.8-45.2165-74.1159.2-155.100109.7N463 R468 R469 F472N463-E466 HydrophobicContact CB-CB 4.22Å; N463-E466 HydrophobicContact CB-CG 4.35Å; N463-E466 PolarHBondContact ND2-OE1 2.88Å; N463-E466 PolarHBondContact O-N 2.85Å; E466-R468 PolarHBondContact O-N 2.94Å; E466-R468 VanDerWaalsContact O-N 3.08Å; E466-R469 WeakPolarHBondContact O-CB 3.23Å; E466-R469 PolarHBondContact O-N 2.85Å; E466-F472 HydrophobicContact CB-CD2 4.13Å; E466-F472 VanDerWaalsContact O-CB 3.27Å; E466-F472 WeakPolarHBondContact O-CB 3.13Å
467E90Very high89.4Confident71 Ų71106 Ų10633%0.33253%0.534SS..Hα-helixtrans-58.4-21.2175.2-68.6160.9-140.500113.3G462 N463 R469 F472 Y473G462-E467 VanDerWaalsContact CA-OE1 3.22Å; G462-E467 WeakPolarHBondContact CA-OE1 3.33Å; N463-E467 PolarHBondContact N-OE1 2.94Å; N463-E467 PolarHBondContact O-N 2.91Å; E467-R469 VanDerWaalsContact C-N 3.31Å; E467-F472 HydrophobicContact CB-CE1 4.35Å; E467-F472 HydrophobicContact CG-CD1 4.29Å; E467-F472 HydrophobicContact CG-CE1 3.7Å; E467-F472 HydrophobicContact CG-CE2 4.16Å; E467-F472 HydrophobicContact CG-CZ 3.63Å; E467-Y473 VanDerWaalsContact O-CE2 3.31Å; E467-Y473 WeakPolarHBondContact O-CE2 3.16Å; E467-Y473 PolarHBondContact O-OH 2.82Å; E467-Y473 VanDerWaalsContact O-OH 3.11Å
468R91.6Very high89.5Confident197 Ų19799.6 Ų99.674%0.74351%0.505SS*.THydrogen-bonded Turntrans-74.8-12.3171.7-89.7170.9155.3-177-8115.1P464 E465 E466P464-R468 VanDerWaalsContact O-CB 3.32Å; P464-R468 WeakPolarHBondContact O-CB 3.44Å; P464-R468 WeakPolarHBondContact O-CD 3.43Å; P464-R468 WeakPolarHBondContact O-CG 3.48Å; P464-R468 PolarHBondContact O-N 2.86Å; P464-R468 VanDerWaalsContact O-N 3.1Å; E465-R468 VanDerWaalsContact OE1-CD 3.31Å; E465-R468 WeakPolarHBondContact OE1-CD 3.05Å; E465-R468 IonicContact OE1-CZ 3.36Å; E465-R468 IonicContact OE1-NE 2.77Å; E465-R468 IonicContact OE1-NH1 3.71Å; E465-R468 PolarHBondContact OE1-NH1 3Å; E466-R468 PolarHBondContact O-N 2.94Å; E466-R468 VanDerWaalsContact O-N 3.08Å
469R91.8Very high89.6Confident149 Ų149103.6 Ų103.656%0.56252%0.519SS*.SBendtrans-103.3144.8-170.4-55.4-175.1-172.8-143.2-4.6111.2E465 E466 E467 E471 F472 Y473E465-R469 WeakPolarHBondContact O-CG 3.3Å; E465-R469 PolarHBondContact O-NE 2.77Å; E466-R469 WeakPolarHBondContact O-CB 3.23Å; E466-R469 PolarHBondContact O-N 2.85Å; E467-R469 VanDerWaalsContact C-N 3.31Å; R469-E471 VanDerWaalsContact C-N 3.27Å; R469-E471 WeakPolarHBondContact CB-OE2 3.32Å; R469-E471 PolarHBondContact O-N 3.14Å; R469-F472 WeakPolarHBondContact O-CB 3.49Å; R469-F472 PolarHBondContact O-N 2.82Å; R469-Y473 WeakPolarHBondContact O-CD2 3.31Å
470A92.3Very high89.8Confident63 Ų63101.7 Ų101.752%0.52151%0.505SS..G310 helixtrans-64-35.8-17900000111.8F472 Y473A470-F472 PolarHBondContact O-N 3.24Å; A470-Y473 PolarHBondContact O-N 3.38Å
471E92.8Very high90.1Very high130 Ų13099.9 Ų99.961%0.60750%0.499SS*.G310 helixtrans-58.2-33.6-179.3-62.384.617000113R469 Y473 H474R469-E471 VanDerWaalsContact C-N 3.27Å; R469-E471 WeakPolarHBondContact CB-OE2 3.32Å; R469-E471 PolarHBondContact O-N 3.14Å; E471-Y473 PolarHBondContact O-N 2.91Å; E471-H474 PolarHBondContact O-N 2.86Å; E471-H474 VanDerWaalsContact O-N 3.07Å
472F90.5Very high90.6Very high61 Ų6197.9 Ų97.927%0.26849%0.486SS..G310 helixtrans-60-29.6177.2179.5-97.7000112.6E466 E467 R469 A470 W477E466-F472 HydrophobicContact CB-CD2 4.13Å; E466-F472 VanDerWaalsContact O-CB 3.27Å; E466-F472 WeakPolarHBondContact O-CB 3.13Å; E467-F472 HydrophobicContact CB-CE1 4.35Å; E467-F472 HydrophobicContact CG-CD1 4.29Å; E467-F472 HydrophobicContact CG-CE1 3.7Å; E467-F472 HydrophobicContact CG-CE2 4.16Å; E467-F472 HydrophobicContact CG-CZ 3.63Å; R469-F472 WeakPolarHBondContact O-CB 3.49Å; R469-F472 PolarHBondContact O-N 2.82Å; A470-F472 PolarHBondContact O-N 3.24Å; F472-W477 HydrophobicContact CD1-CH2 4.1Å; F472-W477 AromaticContact CD1-CZ2 3.87Å; F472-W477 HydrophobicContact CD1-CZ2 3.87Å; F472-W477 AromaticContact CE1-CH2 3.66Å; F472-W477 HydrophobicContact CE1-CH2 3.66Å; F472-W477 AromaticContact CE1-CZ2 3.52Å; F472-W477 HydrophobicContact CE1-CZ2 3.52Å; F472-W477 HydrophobicContact CE2-CZ2 4.42Å; F472-W477 HydrophobicContact CG-CZ2 4.47Å; F472-W477 HydrophobicContact CZ-CH2 4.31Å; F472-W477 AromaticContact CZ-CZ2 3.82Å; F472-W477 HydrophobicContact CZ-CZ2 3.82Å; F472-W477 VanDerWaalsContact O-CZ2 3.27Å; F472-W477 WeakPolarHBondContact O-CZ2 3.46Å
473Y92.2Very high91.3Very high126 Ų12699.8 Ų99.849%0.49450%0.495SS..G310 helixtrans-91.6-0.5179.5-59.8-77.5000113.8E467 R469 A470 E471 E475 W477 S478E467-Y473 VanDerWaalsContact O-CE2 3.31Å; E467-Y473 WeakPolarHBondContact O-CE2 3.16Å; E467-Y473 PolarHBondContact O-OH 2.82Å; E467-Y473 VanDerWaalsContact O-OH 3.11Å; R469-Y473 WeakPolarHBondContact O-CD2 3.31Å; A470-Y473 PolarHBondContact O-N 3.38Å; E471-Y473 PolarHBondContact O-N 2.91Å; Y473-E475 VanDerWaalsContact C-N 3.33Å; Y473-W477 AromaticContact CD1-CH2 4Å; Y473-W477 HydrophobicContact CD1-CH2 4Å; Y473-W477 HydrophobicContact CE1-CH2 4.27Å; Y473-S478 WeakPolarHBondContact O-CB 3.42Å; Y473-S478 PolarHBondContact O-OG 3.23Å
474H92.6Very high91.8Very high150 Ų150105.5 Ų105.569%0.69451%0.513SS*.G310 helixtrans-86.6-4.8171.8-61.3158.8000113E471E471-H474 PolarHBondContact O-N 2.86Å; E471-H474 VanDerWaalsContact O-N 3.07Å
475E91.4Very high92.2Very high101 Ų101109 Ų10947%0.47252%0.517SS..SBendtrans-65151.9178.1-75.8-65.3148.600113.2Y473 W477 S478Y473-E475 VanDerWaalsContact C-N 3.33Å; E475-W477 HydrophobicContact CB-CG 4.32Å; E475-W477 PolarHBondContact O-N 2.9Å; E475-S478 VanDerWaalsContact O-CB 3.24Å; E475-S478 WeakPolarHBondContact O-CB 3.11Å; E475-S478 PolarHBondContact O-N 2.88Å; E475-S478 PolarHBondContact O-OG 3.08Å
476P93Very high92.7Very high114 Ų114110.8 Ų110.874%0.7452%0.524SS*.THydrogen-bonded Turntrans-60-22.1-174.7-2635.6000115.8S478P476-S478 VanDerWaalsContact C-N 3.26Å; P476-S478 PolarHBondContact O-N 2.82Å
477W93.8Very high93.1Very high110 Ų110113.3 Ų113.342%0.41753%0.53SS..Hα-helixtrans-72.3-18.2177.861.2-101.6000113.3F472 Y473 E475 Q479 E480 A481F472-W477 HydrophobicContact CD1-CH2 4.1Å; F472-W477 AromaticContact CD1-CZ2 3.87Å; F472-W477 HydrophobicContact CD1-CZ2 3.87Å; F472-W477 AromaticContact CE1-CH2 3.66Å; F472-W477 HydrophobicContact CE1-CH2 3.66Å; F472-W477 AromaticContact CE1-CZ2 3.52Å; F472-W477 HydrophobicContact CE1-CZ2 3.52Å; F472-W477 HydrophobicContact CE2-CZ2 4.42Å; F472-W477 HydrophobicContact CG-CZ2 4.47Å; F472-W477 HydrophobicContact CZ-CH2 4.31Å; F472-W477 AromaticContact CZ-CZ2 3.82Å; F472-W477 HydrophobicContact CZ-CZ2 3.82Å; F472-W477 VanDerWaalsContact O-CZ2 3.27Å; F472-W477 WeakPolarHBondContact O-CZ2 3.46Å; Y473-W477 AromaticContact CD1-CH2 4Å; Y473-W477 HydrophobicContact CD1-CH2 4Å; Y473-W477 HydrophobicContact CE1-CH2 4.27Å; E475-W477 HydrophobicContact CB-CG 4.32Å; E475-W477 PolarHBondContact O-N 2.9Å; W477-Q479 PolarHBondContact O-N 2.79Å; W477-E480 PolarHBondContact O-N 2.91Å; W477-A481 HydrophobicContact CE3-CB 3.73Å; W477-A481 HydrophobicContact CZ3-CB 4Å; W477-A481 WeakPolarHBondContact O-CB 3.49Å; W477-A481 PolarHBondContact O-N 2.97Å
478S93.3Very high93.3Very high31 Ų31113.5 Ų113.522%0.21754%0.539CS..Hα-helixtrans-57.1-50-173.757.50000113.2Y473 E475 P476 E480 A481 V482Y473-S478 WeakPolarHBondContact O-CB 3.42Å; Y473-S478 PolarHBondContact O-OG 3.23Å; E475-S478 VanDerWaalsContact O-CB 3.24Å; E475-S478 WeakPolarHBondContact O-CB 3.11Å; E475-S478 PolarHBondContact O-N 2.88Å; E475-S478 PolarHBondContact O-OG 3.08Å; P476-S478 VanDerWaalsContact C-N 3.26Å; P476-S478 PolarHBondContact O-N 2.82Å; S478-E480 VanDerWaalsContact C-N 3.35Å; S478-E480 PolarHBondContact O-N 2.81Å; S478-A481 PolarHBondContact O-N 2.91Å; S478-V482 WeakPolarHBondContact O-CG2 3.49Å; S478-V482 PolarHBondContact O-N 2.87Å
479Q92.4Very high93.5Very high155 Ų155107.5 Ų107.572%0.72452%0.519SS*.Hα-helixtrans-62.6-39.7-179.4-171.1-178.912.100112.4W477 S483W477-Q479 PolarHBondContact O-N 2.79Å; Q479-S483 WeakPolarHBondContact O-CB 3.38Å; Q479-S483 PolarHBondContact O-N 3.05Å; Q479-S483 VanDerWaalsContact O-N 3.12Å; Q479-S483 PolarHBondContact O-OG 2.82Å
480E93.8Very high93.7Very high105 Ų105104.5 Ų104.549%0.49151%0.513SS..Hα-helixtrans-70.9-41.4176.4-158.1-164.6157.700111.2W477 S478 V482 S483 R484W477-E480 PolarHBondContact O-N 2.91Å; S478-E480 VanDerWaalsContact C-N 3.35Å; S478-E480 PolarHBondContact O-N 2.81Å; E480-V482 PolarHBondContact O-N 3.25Å; E480-S483 WeakPolarHBondContact O-CB 3.46Å; E480-S483 PolarHBondContact O-N 3.29Å; E480-S483 VanDerWaalsContact O-N 3.16Å; E480-R484 WeakPolarHBondContact O-CG 3.31Å; E480-R484 PolarHBondContact O-N 3.34Å; E480-R484 IonicContact OE1-CZ 3.82Å; E480-R484 IonicContact OE1-NE 2.73Å; E480-R484 PolarHBondContact OE1-NE 3.12Å; E480-R484 IonicContact OE1-NH2 2.6Å; E480-R484 PolarHBondContact OE1-NH2 3.21Å
481A93.8Very high93.7Very high40 Ų40105.2 Ų105.233%0.33151%0.505SS..Hα-helixtrans-62.2-41.9177.200000112.3W477 S478 S483 R484 Y485W477-A481 HydrophobicContact CE3-CB 3.73Å; W477-A481 HydrophobicContact CZ3-CB 4Å; W477-A481 WeakPolarHBondContact O-CB 3.49Å; W477-A481 PolarHBondContact O-N 2.97Å; S478-A481 PolarHBondContact O-N 2.91Å; A481-S483 VanDerWaalsContact C-N 3.33Å; A481-S483 PolarHBondContact O-N 2.93Å; A481-R484 PolarHBondContact O-N 3.41Å; A481-Y485 VanDerWaalsContact O-CB 3.23Å; A481-Y485 WeakPolarHBondContact O-CB 3.47Å; A481-Y485 PolarHBondContact O-N 3.06Å
482V95.3Very high93.7Very high98 Ų98103 Ų10359%0.59450%0.495SS*.Hα-helixtrans-61.8-42.2172.7171.10000110.8S478 E480 Y485 F486S478-V482 WeakPolarHBondContact O-CG2 3.49Å; S478-V482 PolarHBondContact O-N 2.87Å; E480-V482 PolarHBondContact O-N 3.25Å; V482-Y485 PolarHBondContact O-N 3.04Å; V482-F486 VanDerWaalsContact O-CB 3.32Å; V482-F486 WeakPolarHBondContact O-CB 3.5Å; V482-F486 PolarHBondContact O-N 3.04Å
483S94.3Very high93.8Very high72 Ų72107.1 Ų107.150%0.50351%0.509SS..Hα-helixtrans-63.9-45.9178-59.10000112.2Q479 E480 A481 F486 Y487Q479-S483 WeakPolarHBondContact O-CB 3.38Å; Q479-S483 PolarHBondContact O-N 3.05Å; Q479-S483 VanDerWaalsContact O-N 3.12Å; Q479-S483 PolarHBondContact O-OG 2.82Å; E480-S483 WeakPolarHBondContact O-CB 3.46Å; E480-S483 PolarHBondContact O-N 3.29Å; E480-S483 VanDerWaalsContact O-N 3.16Å; A481-S483 VanDerWaalsContact C-N 3.33Å; A481-S483 PolarHBondContact O-N 2.93Å; S483-F486 PolarHBondContact O-N 2.96Å; S483-Y487 WeakPolarHBondContact O-CB 3.29Å; S483-Y487 PolarHBondContact O-N 3.25Å
484R94.8Very high93.8Very high167 Ų167107.7 Ų107.763%0.6351%0.51SS*.Hα-helixtrans-63.3-42174.8-70.7175.2177.1-143.98.2111.9E480 A481 S488E480-R484 WeakPolarHBondContact O-CG 3.31Å; E480-R484 PolarHBondContact O-N 3.34Å; E480-R484 IonicContact OE1-CZ 3.82Å; E480-R484 IonicContact OE1-NE 2.73Å; E480-R484 PolarHBondContact OE1-NE 3.12Å; E480-R484 IonicContact OE1-NH2 2.6Å; E480-R484 PolarHBondContact OE1-NH2 3.21Å; A481-R484 PolarHBondContact O-N 3.41Å; R484-S488 WeakPolarHBondContact O-CB 3.19Å; R484-S488 PolarHBondContact O-N 2.88Å
485Y95.6Very high93.7Very high152 Ų152106.1 Ų106.160%0.59650%0.503SS*.Hα-helixtrans-61.3-49.3175.4176.4-89.2000111.2A481 V482 Y487 S488 K489A481-Y485 VanDerWaalsContact O-CB 3.23Å; A481-Y485 WeakPolarHBondContact O-CB 3.47Å; A481-Y485 PolarHBondContact O-N 3.06Å; V482-Y485 PolarHBondContact O-N 3.04Å; Y485-Y487 PolarHBondContact O-N 2.76Å; Y485-S488 PolarHBondContact O-N 2.86Å; Y485-K489 HydrophobicContact CE1-CB 4.39Å; Y485-K489 WeakPolarHBondContact O-CB 3.48Å; Y485-K489 PolarHBondContact O-N 3.45Å
486F95.8Very high93.7Very high135 Ų135104.3 Ų104.359%0.59249%0.494SS*.Hα-helixtrans-63.6-43.1-178-166.8-111.6000111.8V482 S483 K489 I490V482-F486 VanDerWaalsContact O-CB 3.32Å; V482-F486 WeakPolarHBondContact O-CB 3.5Å; V482-F486 PolarHBondContact O-N 3.04Å; S483-F486 PolarHBondContact O-N 2.96Å; F486-K489 PolarHBondContact O-N 2.8Å; F486-I490 HydrophobicContact CD1-CD1 3.72Å; F486-I490 HydrophobicContact CE1-CD1 3.49Å; F486-I490 VanDerWaalsContact CE1-CD1 3.49Å; F486-I490 HydrophobicContact CE1-CG1 4.44Å; F486-I490 HydrophobicContact CG-CD1 4.46Å; F486-I490 HydrophobicContact CZ-CD1 4.05Å; F486-I490 WeakPolarHBondContact O-CG1 3.44Å; F486-I490 PolarHBondContact O-N 2.74Å
487Y94.8Very high93.4Very high152 Ų152104.2 Ų104.260%0.59649%0.487SS*.Hα-helixtrans-57.6-51.1171.9178-97.2000112S483 Y485 K489 I490 Q491S483-Y487 WeakPolarHBondContact O-CB 3.29Å; S483-Y487 PolarHBondContact O-N 3.25Å; Y485-Y487 PolarHBondContact O-N 2.76Å; Y487-K489 VanDerWaalsContact C-N 3.29Å; Y487-K489 PolarHBondContact O-N 2.72Å; Y487-I490 PolarHBondContact O-N 2.76Å; Y487-Q491 HydrophobicContact CD1-CG 4.44Å; Y487-Q491 HydrophobicContact CE1-CG 4.02Å; Y487-Q491 HydrophobicContact CE2-CG 4.4Å; Y487-Q491 WeakPolarHBondContact O-CG 3.14Å; Y487-Q491 PolarHBondContact O-N 3.45Å; Y487-Q491 PolarHBondContact OH-NE2 3.05Å
488S94.6Very high93.1Very high76 Ų76103.5 Ų103.553%0.53149%0.488SS..Hα-helixtrans-58.7-41.1177.7-172.50000112R484 Y485 Q491 Q492R484-S488 WeakPolarHBondContact O-CB 3.19Å; R484-S488 PolarHBondContact O-N 2.88Å; Y485-S488 PolarHBondContact O-N 2.86Å; S488-Q491 PolarHBondContact O-N 3.14Å; S488-Q492 PolarHBondContact O-N 3.04Å
489K95.6Very high92.6Very high71 Ų71107.5 Ų107.531%0.30950%0.504SS..Hα-helixtrans-69.7-35.7179.9-159.371.5-168.6166.60112.8Y485 F486 Y487 Q492 R493Y485-K489 HydrophobicContact CE1-CB 4.39Å; Y485-K489 WeakPolarHBondContact O-CB 3.48Å; Y485-K489 PolarHBondContact O-N 3.45Å; F486-K489 PolarHBondContact O-N 2.8Å; Y487-K489 VanDerWaalsContact C-N 3.29Å; Y487-K489 PolarHBondContact O-N 2.72Å; K489-Q492 PolarHBondContact O-N 3.06Å; K489-R493 WeakPolarHBondContact O-CG 3.39Å; K489-R493 PolarHBondContact O-N 3.26Å
490I94.7Very high92.1Very high86 Ų86102.9 Ų102.944%0.44149%0.492SS..Hα-helixtrans-62.9-47.4171-74.1169.3000110.5F486 Y487 Q492 R493 R494F486-I490 HydrophobicContact CD1-CD1 3.72Å; F486-I490 HydrophobicContact CE1-CD1 3.49Å; F486-I490 VanDerWaalsContact CE1-CD1 3.49Å; F486-I490 HydrophobicContact CE1-CG1 4.44Å; F486-I490 HydrophobicContact CG-CD1 4.46Å; F486-I490 HydrophobicContact CZ-CD1 4.05Å; F486-I490 WeakPolarHBondContact O-CG1 3.44Å; F486-I490 PolarHBondContact O-N 2.74Å; Y487-I490 PolarHBondContact O-N 2.76Å; I490-Q492 VanDerWaalsContact C-N 3.31Å; I490-Q492 PolarHBondContact O-N 2.9Å; I490-R493 PolarHBondContact O-N 3.28Å; I490-R494 WeakPolarHBondContact O-CB 3.36Å; I490-R494 PolarHBondContact O-N 2.96Å
491Q92.7Very high91.3Very high77 Ų77102.8 Ų102.836%0.3649%0.494SS..Hα-helixtrans-63.1-38.6178.8-61.5-61.8-4.900111.7Y487 S488 R494 Q495Y487-Q491 HydrophobicContact CD1-CG 4.44Å; Y487-Q491 HydrophobicContact CE1-CG 4.02Å; Y487-Q491 HydrophobicContact CE2-CG 4.4Å; Y487-Q491 WeakPolarHBondContact O-CG 3.14Å; Y487-Q491 PolarHBondContact O-N 3.45Å; Y487-Q491 PolarHBondContact OH-NE2 3.05Å; S488-Q491 PolarHBondContact O-N 3.14Å; Q491-R494 PolarHBondContact O-N 3.13Å; Q491-Q495 WeakPolarHBondContact O-CB 3.33Å; Q491-Q495 PolarHBondContact O-N 2.85Å
492Q93.6Very high90Very high83 Ų83103.7 Ų103.739%0.38850%0.501SS..Hα-helixtrans-60.2-51.6172.1-172.1-172.4-1.300111.7S488 K489 I490 R494 Q495 E496S488-Q492 PolarHBondContact O-N 3.04Å; K489-Q492 PolarHBondContact O-N 3.06Å; I490-Q492 VanDerWaalsContact C-N 3.31Å; I490-Q492 PolarHBondContact O-N 2.9Å; Q492-R494 VanDerWaalsContact C-N 3.29Å; Q492-R494 PolarHBondContact O-N 3.21Å; Q492-Q495 PolarHBondContact O-N 2.88Å; Q492-Q495 VanDerWaalsContact O-N 3.17Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.37Å; Q492-E496 PolarHBondContact NE2-OE1 2.92Å; Q492-E496 WeakPolarHBondContact O-CG 3.38Å; Q492-E496 PolarHBondContact O-N 2.73Å
493R92.8Very high88.2Confident148 Ų148104.2 Ų104.256%0.55851%0.505SS*.Hα-helixtrans-62.5-36179.4-73.6-50.6-154.2-177.17112.7K489 I490 E496 L497K489-R493 WeakPolarHBondContact O-CG 3.39Å; K489-R493 PolarHBondContact O-N 3.26Å; I490-R493 PolarHBondContact O-N 3.28Å; R493-E496 WeakPolarHBondContact CD-OE2 3.24Å; R493-E496 IonicContact CZ-OE2 2.71Å; R493-E496 IonicContact NE-OE2 3.83Å; R493-E496 IonicContact NH1-OE2 2.63Å; R493-E496 PolarHBondContact NH1-OE2 3.11Å; R493-L497 WeakPolarHBondContact O-CB 3.49Å; R493-L497 WeakPolarHBondContact O-CG 3.01Å; R493-L497 PolarHBondContact O-N 3.08Å
494R90.9Very high86.4Confident138 Ų138110.6 Ų110.652%0.52152%0.518SS..Hα-helixtrans-62.7-47.2173.2-179.7-179.6169.2172.2-0.7111I490 Q491 Q492 E496 L497 E498I490-R494 WeakPolarHBondContact O-CB 3.36Å; I490-R494 PolarHBondContact O-N 2.96Å; Q491-R494 PolarHBondContact O-N 3.13Å; Q492-R494 VanDerWaalsContact C-N 3.29Å; Q492-R494 PolarHBondContact O-N 3.21Å; R494-E496 PolarHBondContact O-N 3.21Å; R494-L497 PolarHBondContact O-N 3.34Å; R494-E498 HydrophobicContact CG-CG 4.39Å; R494-E498 IonicContact CZ-OE1 2.68Å; R494-E498 IonicContact NE-OE1 3.64Å; R494-E498 PolarHBondContact NE-OE1 3.19Å; R494-E498 IonicContact NE-OE2 3.95Å; R494-E498 IonicContact NH2-OE1 3.86Å; R494-E498 PolarHBondContact NH2-OE1 3.32Å; R494-E498 WeakPolarHBondContact O-CB 3.39Å; R494-E498 WeakPolarHBondContact O-CG 3.48Å; R494-E498 PolarHBondContact O-N 2.83Å
495Q90.2Very high84.3Confident117 Ų117109.6 Ų109.655%0.54753%0.525SS..Hα-helixtrans-64.5-39.1178.3-174.5169.844.200112.3Q491 Q492 E498 Q499Q491-Q495 WeakPolarHBondContact O-CB 3.33Å; Q491-Q495 PolarHBondContact O-N 2.85Å; Q492-Q495 PolarHBondContact O-N 2.88Å; Q492-Q495 VanDerWaalsContact O-N 3.17Å; Q495-E498 PolarHBondContact O-N 3.41Å; Q495-Q499 WeakPolarHBondContact O-CB 3.47Å; Q495-Q499 VanDerWaalsContact O-CG 3.28Å; Q495-Q499 WeakPolarHBondContact O-CG 3.25Å; Q495-Q499 PolarHBondContact O-N 3.4Å
496E91.8Very high82Confident63 Ų63110.8 Ų110.829%0.29455%0.548SS..Hα-helixtrans-60.1-42.8172.8-71.8167.6-170.700111.7Q492 R493 R494 A500Q492-E496 WeakPolarHBondContact CG-OE1 3.37Å; Q492-E496 PolarHBondContact NE2-OE1 2.92Å; Q492-E496 WeakPolarHBondContact O-CG 3.38Å; Q492-E496 PolarHBondContact O-N 2.73Å; R493-E496 WeakPolarHBondContact CD-OE2 3.24Å; R493-E496 IonicContact CZ-OE2 2.71Å; R493-E496 IonicContact NE-OE2 3.83Å; R493-E496 IonicContact NH1-OE2 2.63Å; R493-E496 PolarHBondContact NH1-OE2 3.11Å; R494-E496 PolarHBondContact O-N 3.21Å; E496-A500 WeakPolarHBondContact O-CB 3.43Å; E496-A500 PolarHBondContact O-N 2.97Å
497L87.8Confident81.3Confident112 Ų112109.6 Ų109.659%0.58655%0.546SS*.Hα-helixtrans-68.5-44.5176.2-75.2166.3000112.7R493 R494 Q499 A500 L501R493-L497 WeakPolarHBondContact O-CB 3.49Å; R493-L497 WeakPolarHBondContact O-CG 3.01Å; R493-L497 PolarHBondContact O-N 3.08Å; R494-L497 PolarHBondContact O-N 3.34Å; L497-Q499 VanDerWaalsContact C-N 3.3Å; L497-Q499 PolarHBondContact O-N 3.43Å; L497-A500 PolarHBondContact O-N 2.94Å; L497-L501 WeakPolarHBondContact O-CB 3.45Å; L497-L501 VanDerWaalsContact O-CG 3.27Å; L497-L501 WeakPolarHBondContact O-CG 3.16Å; L497-L501 PolarHBondContact O-N 3.46Å
498E86Confident80.6Confident96 Ų96107.3 Ų107.345%0.44954%0.543SS..Hα-helixtrans-62.7-37.5177.4-74.1173.5165.400111.3R494 Q495 A502R494-E498 HydrophobicContact CG-CG 4.39Å; R494-E498 IonicContact CZ-OE1 2.68Å; R494-E498 IonicContact NE-OE1 3.64Å; R494-E498 PolarHBondContact NE-OE1 3.19Å; R494-E498 IonicContact NE-OE2 3.95Å; R494-E498 IonicContact NH2-OE1 3.86Å; R494-E498 PolarHBondContact NH2-OE1 3.32Å; R494-E498 WeakPolarHBondContact O-CB 3.39Å; R494-E498 WeakPolarHBondContact O-CG 3.48Å; R494-E498 PolarHBondContact O-N 2.83Å; Q495-E498 PolarHBondContact O-N 3.41Å; E498-A502 VanDerWaalsContact O-CB 3.3Å; E498-A502 WeakPolarHBondContact O-CB 3.31Å; E498-A502 PolarHBondContact O-N 3.39Å
499Q83.4Confident79.8Confident115 Ų115109.1 Ų109.154%0.53754%0.544SS..Hα-helixtrans-67-46.2171.7-73.8175.3-1.600112.4Q495 L497 L501 A502 V503Q495-Q499 WeakPolarHBondContact O-CB 3.47Å; Q495-Q499 VanDerWaalsContact O-CG 3.28Å; Q495-Q499 WeakPolarHBondContact O-CG 3.25Å; Q495-Q499 PolarHBondContact O-N 3.4Å; L497-Q499 VanDerWaalsContact C-N 3.3Å; L497-Q499 PolarHBondContact O-N 3.43Å; Q499-L501 VanDerWaalsContact C-N 3.26Å; Q499-L501 PolarHBondContact O-N 3.2Å; Q499-A502 PolarHBondContact O-N 2.84Å; Q499-V503 WeakPolarHBondContact O-CG2 3.14Å; Q499-V503 PolarHBondContact O-N 3.4Å
500A81.8Confident78.9Confident57 Ų57111.3 Ų111.347%0.47156%0.558SS.*Hα-helixtrans-65-28.417900000113.3E496 L497E496-A500 WeakPolarHBondContact O-CB 3.43Å; E496-A500 PolarHBondContact O-N 2.97Å; L497-A500 PolarHBondContact O-N 2.94Å
501L76.9Confident77.9Confident104 Ų104112.9 Ų112.955%0.54557%0.565SS.*Hα-helixtrans-81.1-37.4173.6-70168.8000112.2L497 Q499 V503 R504L497-L501 WeakPolarHBondContact O-CB 3.45Å; L497-L501 VanDerWaalsContact O-CG 3.27Å; L497-L501 WeakPolarHBondContact O-CG 3.16Å; L497-L501 PolarHBondContact O-N 3.46Å; Q499-L501 VanDerWaalsContact C-N 3.26Å; Q499-L501 PolarHBondContact O-N 3.2Å; L501-V503 VanDerWaalsContact C-N 3.35Å; L501-V503 PolarHBondContact O-N 2.85Å; L501-R504 PolarHBondContact O-N 3.45Å; L501-R504 VanDerWaalsContact O-N 3.13Å
502A66.1Low76.9Confident58 Ų58115.3 Ų115.348%0.47958%0.579SS.*Hα-helixtrans-61-42.2173.300000112.1E498 Q499 R504 N505E498-A502 VanDerWaalsContact O-CB 3.3Å; E498-A502 WeakPolarHBondContact O-CB 3.31Å; E498-A502 PolarHBondContact O-N 3.39Å; Q499-A502 PolarHBondContact O-N 2.84Å; A502-R504 PolarHBondContact O-N 3.44Å; A502-R504 VanDerWaalsContact O-N 3.15Å; A502-N505 PolarHBondContact O-N 3.43Å
503V58.6Low75.7Confident109 Ų109117.6 Ų117.666%0.66159%0.592SS**THydrogen-bonded Turntrans-67.5-8.6176.2173.30000113.2Q499 L501Q499-V503 WeakPolarHBondContact O-CG2 3.14Å; Q499-V503 PolarHBondContact O-N 3.4Å; L501-V503 VanDerWaalsContact C-N 3.35Å; L501-V503 PolarHBondContact O-N 2.85Å
504R55.5Low74.4Confident206 Ų206115.2 Ų115.278%0.77760%0.595SS**THydrogen-bonded Turntrans-94.7-6.3171.6-82.8-176.9166.3-171.4-3.6114.5L501 A502L501-R504 PolarHBondContact O-N 3.45Å; L501-R504 VanDerWaalsContact O-N 3.13Å; A502-R504 PolarHBondContact O-N 3.44Å; A502-R504 VanDerWaalsContact O-N 3.15Å
505N52.1Low73Confident146 Ų146113.3 Ų113.378%0.78160%0.601SS**  trans-113.325-178.2-72.3-16.1000112.5A502A502-N505 PolarHBondContact O-N 3.43Å
506T46.4Very low71.5Confident177 Ų177113 Ų113100%1.08661%0.606SS**  trans-1360172.756.70000109.5

Retrieved 506 of 506 residues in 526.9 ms (Link to these results)