G4M0Z6_SCHMA Loading...

Zinc finger CCCH domain-containing protein 3

AlphaFold DB , UniProt , Accession G4M0Z6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 399 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.1Very low35.3Very low233 Ų233158.3 Ų158.3100%1.14882%0.818SS**  0132.30-73.2-178.416300108.7
2T35.8Very low35Very low130 Ų130164.4 Ų164.480%0.79882%0.823SS**  trans58.194.716052.40000118
3F29.3Very low34.6Very low206 Ų206159.2 Ų159.290%0.90481%0.811SS**  56.6123.271.3-85.2-84.9000116.6
4A37.4Very low34.1Very low83 Ų83160.5 Ų160.569%0.68682%0.82SS**  trans146.3102.3135.300000110.8
5Q37.2Very low34.1Very low166 Ų166160.4 Ų160.478%0.77681%0.811SS**  73.310091.8-75.1174.9-46.300113.2
6I37.8Very low33.7Very low137 Ų137166.3 Ų166.370%0.70382%0.821SS**  59.4118.695.5-55.9167.5000113.3
7M31.8Very low33.6Very low155 Ų155166.9 Ų166.976%0.76482%0.818SS**  172.3129122.6-88-79.9116.100111.8
8D31.3Very low33.2Very low125 Ų125163.6 Ų163.667%0.66882%0.822SS**  trans25.2134.8150.3-76.8-56.1000123
9T38.5Very low33Very low139 Ų139158.7 Ų158.785%0.85382%0.817SS**  179117.5103.831.60000112.2H11T9-H11 PolarHBondContact O-N 2.74Å
10H33.1Very low32.7Very low188 Ų188160.9 Ų160.987%0.8782%0.824SS**  trans-70.1117168.4-99.8-98.1000110.8
11H38.3Very low32.7Very low179 Ų179158.2 Ų158.283%0.82982%0.819SS**  trans-139.9127.3161.3-130.3-102.5000113.7T9T9-H11 PolarHBondContact O-N 2.74Å
12R31.1Very low32.2Very low232 Ų232154.8 Ų154.888%0.87581%0.805SS**  trans-26135.7173.1-70.8167.6162.5-158.2-0.2116.9
13S30Very low32Very low96 Ų96157.7 Ų157.767%0.67181%0.807SS**  trans-160106.3131.6-161.40000112.1K15S13-K15 PolarHBondContact O-N 2.88Å
14L28.2Very low32Very low178 Ų178155.7 Ų155.793%0.93281%0.805SS**  trans-76.177.3163.4-78.3164000107.9
15K33.8Very low31.7Very low159 Ų159162 Ų16269%0.69182%0.817SS**  trans-87.6116.5168-104.8179.6177.1177.90108.9S13 F17S13-K15 PolarHBondContact O-N 2.88Å; K15-F17 HydrophobicContact CB-CD2 4.13Å; K15-F17 HydrophobicContact CB-CE2 4.12Å; K15-F17 HydrophobicContact CD-CE2 4.07Å; K15-F17 PolarHBondContact O-N 3.41Å
16W27.9Very low31.6Very low254 Ų254159 Ų15996%0.96281%0.81SS**  trans-57.9116164.6-77.560.9000108.5
17F30.9Very low31.8Very low177 Ų177153.9 Ų153.978%0.77679%0.786SS**  trans-119.8115166-93.2-80.6000109.3K15 G19K15-F17 HydrophobicContact CB-CD2 4.13Å; K15-F17 HydrophobicContact CB-CE2 4.12Å; K15-F17 HydrophobicContact CD-CE2 4.07Å; K15-F17 PolarHBondContact O-N 3.41Å; F17-G19 PolarHBondContact O-N 2.92Å; F17-G19 VanDerWaalsContact O-N 3.15Å
18A26.9Very low32.4Very low107 Ų107148.5 Ų148.588%0.88476%0.76SS**  trans-63.5103.5163.900000107.9
19G28.9Very low33.2Very low71 Ų71143.3 Ų143.373%0.73273%0.734SS**  trans-101.6109.6176.600000110.5F17F17-G19 PolarHBondContact O-N 2.92Å; F17-G19 VanDerWaalsContact O-N 3.15Å
20Q27.4Very low33.5Very low203 Ų203141.2 Ų141.295%0.94971%0.714SS**  trans-56.9129.5165.7-67.8175.6-20.200109.7
21S32.6Very low33.6Very low105 Ų105136 Ų13673%0.73469%0.693SS**  trans-150.3104.7167-177.70000109.8K23S21-K23 PolarHBondContact O-N 2.79Å
22N28.1Very low33.6Very low160 Ų160132.8 Ų132.886%0.85667%0.673SS**  trans-60.9117.7164.4-74.7-38.7000109.2
23K31.2Very low33.5Very low192 Ų192128.1 Ų128.184%0.83566%0.657SS**  trans-178.3112152.8-99.7153-171.2-172.40111.7S21S21-K23 PolarHBondContact O-N 2.79Å
24L30.3Very low33.5Very low163 Ų163131.9 Ų131.985%0.85366%0.661SS**  trans47.798151.8-65.5155.8000118.2V26L24-V26 PolarHBondContact O-N 3.18Å; L24-V26 VanDerWaalsContact O-N 3.12Å
25K30.7Very low33.5Very low216 Ų216134 Ų13494%0.93966%0.658SS**  trans-72.194.8175.6-76.4174.7177.7170.30112.2
26V35.4Very low33.1Very low103 Ų103132.3 Ų132.362%0.62466%0.661SS**  trans-96.1125.7171.3-177.60000109.6L24 L313L24-V26 PolarHBondContact O-N 3.18Å; L24-V26 VanDerWaalsContact O-N 3.12Å; V26-L313 HydrophobicContact CG1-CD1 3.41Å; V26-L313 VanDerWaalsContact CG1-CD1 3.41Å; V26-L313 HydrophobicContact CG1-CD2 4.05Å; V26-L313 HydrophobicContact CG1-CG 4.31Å
27S41.4Very low33Very low30 Ų30128.8 Ų128.821%0.2165%0.652CS.*  trans-114.5132.9-16534.70000113.2L313 P367S27-L313 VanDerWaalsContact O-CD1 3.31Å; S27-L313 WeakPolarHBondContact O-CD1 3.22Å; S27-P367 VanDerWaalsContact CB-CG 3.48Å; S27-P367 WeakPolarHBondContact OG-CA 3.39Å; S27-P367 WeakPolarHBondContact OG-CB 3.29Å; S27-P367 WeakPolarHBondContact OG-CG 3.39Å
28N43.3Very low33Very low42 Ų42126 Ų12623%0.22565%0.65CS.*  trans-104.6144.6-168.3175.2-10.3000111.2Q30 P309N28-Q30 PolarHBondContact ND2-OE1 3.33Å; N28-Q30 PolarHBondContact O-N 3.31Å; N28-Q30 WeakPolarHBondContact OD1-CG 3.49Å; N28-P309 PolarHBondContact OD1-O 2.97Å
29C49.1Very low33.2Very low16 Ų16126.8 Ų126.811%0.10864%0.639CS.*SBendtrans-697.2-172.1-55.80000116.7N31 C268 R307 P309 R372C29-N31 VanDerWaalsContact C-N 3.35Å; C29-N31 PolarHBondContact O-N 3.09Å; C29-C268 HydrophobicContact CB-CB 4.03Å; C29-C268 WeakPolarHBondContact CB-SG 3.34Å; C29-C268 WeakPolarHBondContact SG-CB 2.92Å; C29-C268 CovalentContact SG-SG 2.06Å; C29-C268 PolarHBondContact SG-SG 3.37Å; C29-R307 PolarHBondContact O-NH2 3.43Å; C29-P309 WeakPolarHBondContact CB-O 3.44Å; C29-P309 PolarHBondContact N-O 3.06Å; C29-P309 VanDerWaalsContact N-O 3.07Å; C29-P309 PolarHBondContact SG-O 3.06Å; C29-R372 PolarHBondContact O-NH1 2.97Å
30Q44.1Very low33.1Very low94 Ų94129 Ų12944%0.43964%0.643SS.*  trans-81.73.6-162.4-82.1178-18.900116.4N28 R32 P309N28-Q30 PolarHBondContact ND2-OE1 3.33Å; N28-Q30 PolarHBondContact O-N 3.31Å; N28-Q30 WeakPolarHBondContact OD1-CG 3.49Å; Q30-R32 PolarHBondContact O-N 3.01Å; Q30-P309 HydrophobicContact CG-CB 3.76Å
31N35.4Very low33.3Very low79 Ų79123.5 Ų123.542%0.42263%0.627SS.*THydrogen-bonded Turntrans-70.816.6-168.9-108.118.4000118.5C29 V364 A365 A366C29-N31 VanDerWaalsContact C-N 3.35Å; C29-N31 PolarHBondContact O-N 3.09Å; N31-V364 PolarHBondContact OD1-O 3.12Å; N31-A365 WeakPolarHBondContact ND2-CA 3.44Å; N31-A366 PolarHBondContact ND2-N 3.46Å; N31-A366 VanDerWaalsContact ND2-N 3.18Å
32R38.1Very low33.3Very low112 Ų112126.7 Ų126.742%0.42364%0.635SS.*THydrogen-bonded Turntrans-1018.6-170.9-139.6-177.2-98.4177.1-5.2116.1Q30 N239 R372Q30-R32 PolarHBondContact O-N 3.01Å; R32-N239 PolarHBondContact NH1-OD1 3.19Å; R32-R372 VanDerWaalsContact CZ-NH2 3.27Å; R32-R372 VanDerWaalsContact NE-NH2 3.16Å; R32-R372 VanDerWaalsContact NH2-NH2 3.19Å
33Y30.3Very low33.2Very low134 Ų134123.7 Ų123.753%0.52563%0.625SS.*  trans-13772.7175.7-58.3-81000112.3
34K30.3Very low32.9Very low174 Ų174125.8 Ų125.876%0.75763%0.628SS**  trans-111.5111155.4-84.9-177.3177.2178.40107V36K34-V36 PolarHBondContact O-N 3.44Å
35Y28Very low32.9Very low224 Ų224128.6 Ų128.688%0.87863%0.627SS**  trans-61.1109.5165.1-68.2-88000107.2K37Y35-K37 PolarHBondContact O-N 3.14Å
36V25.7Very low32.6Very low122 Ų122124.1 Ų124.174%0.73962%0.62SS**  trans-75.4115.2169.7178.80000106.4K34 V38K34-V36 PolarHBondContact O-N 3.44Å; V36-V38 PolarHBondContact O-N 3.31Å
37K24.3Very low32.4Very low180 Ų180127.1 Ų127.178%0.78363%0.632SS**  trans-68.8101.4167-175.6179.4179.3-176.70106.8Y35 N39Y35-K37 PolarHBondContact O-N 3.14Å; K37-N39 PolarHBondContact O-N 3.04Å; K37-N39 VanDerWaalsContact O-N 3.11Å
38V31.3Very low31.8Very low120 Ų120131 Ų13173%0.72766%0.659SS**  trans-72.7103.9174.2-162.50000106.8V36 S40V36-V38 PolarHBondContact O-N 3.31Å; V38-S40 VanDerWaalsContact C-N 3.31Å; V38-S40 PolarHBondContact O-N 3.09Å; V38-S40 VanDerWaalsContact O-N 3.07Å
39N30.6Very low31Very low123 Ų123133.9 Ų133.966%0.65868%0.682SS**  trans-74.592166.3-86.11000107.1K37 S41K37-N39 PolarHBondContact O-N 3.04Å; K37-N39 VanDerWaalsContact O-N 3.11Å; N39-S41 VanDerWaalsContact C-N 3.35Å; N39-S41 PolarHBondContact O-N 3.32Å; N39-S41 VanDerWaalsContact O-N 3.13Å
40S27.6Very low30Very low117 Ų117138.6 Ų138.682%0.81872%0.716SS**  trans-7789.8166.454.90000108.5V38V38-S40 VanDerWaalsContact C-N 3.31Å; V38-S40 PolarHBondContact O-N 3.09Å; V38-S40 VanDerWaalsContact O-N 3.07Å
41S30.6Very low29.3Very low88 Ų88142.8 Ų142.862%0.61573%0.733SS**  trans-136.2100.4163.3550000107.2N39N39-S41 VanDerWaalsContact C-N 3.35Å; N39-S41 PolarHBondContact O-N 3.32Å; N39-S41 VanDerWaalsContact O-N 3.13Å
42L32.5Very low29.1Very low172 Ų172148 Ų14890%0.90175%0.752SS**  167.3134.8126-84.7159.6000109.2
43C26.7Very low28.5Very low96 Ų96154.6 Ų154.665%0.64978%0.777SS**  trans-100.6144.4-173-35.10000107.3
44W26.1Very low28.5Very low237 Ų237154 Ų15490%0.89878%0.782SS**  trans74.1135.2164.2-41.8105000115.3
45R29Very low28.5Very low221 Ų221154.2 Ų154.283%0.83478%0.783SS**  cis-149.5163.812.4-73-167.5173.7-143.4-1.4108.9
46P25.1Very low28.6Very low122 Ų122154.9 Ų154.979%0.79279%0.786SS**  trans-79.4125.7179.132.2-29.5000110.1
47L31.5Very low28.9Very low167 Ų167154.9 Ų154.987%0.87479%0.787SS**  trans-122.7108.6155.6-122.686.4000108.1S49L47-S49 PolarHBondContact O-N 3.3Å
48S27.4Very low28.9Very low110 Ų110152.3 Ų152.377%0.76979%0.79SS**  trans-53.2124.2162.748.40000111.1
49S28.4Very low28.8Very low103 Ų103152.2 Ų152.272%0.7280%0.795SS**  179.8129.4127.846.30000110.6L47L47-S49 PolarHBondContact O-N 3.3Å
50S27.5Very low28.7Very low115 Ų115151.3 Ų151.380%0.80480%0.798SS**  trans-52.8128.4172.1-62.90000111.9
51F29.8Very low28.7Very low183 Ų183153 Ų15380%0.80380%0.797SS**  trans-141.4135.3147.7-87.4-74.4000112.1
52K29.9Very low28.7Very low188 Ų188155.5 Ų155.582%0.81781%0.809SS**  trans-60.4146.1-166.8-64.9165.9171179.50112.7
53W25.9Very low28.7Very low250 Ų250151.2 Ų151.295%0.94781%0.806SS**  trans-102.5106.6166.8-34.2-31.6000106.5
54D30.8Very low28.8Very low121 Ų121150.8 Ų150.865%0.64781%0.809SS**  trans-113.3122.9163.8-94.8-47.3000110.1
55K29.3Very low29.2Very low179 Ų179148.2 Ų148.278%0.77881%0.807SS**  trans20.4116.2148.5-63171.6-176.6173.10118.2
56Y31.2Very low29.1Very low238 Ų238142.1 Ų142.193%0.93380%0.798SS**  trans-108.997.6147.3-77.9-77.9000109.9
57T31.2Very low29.4Very low123 Ų123144.2 Ų144.276%0.75580%0.795SS**  trans-76.3133.1152.729.50000109.2S59T57-S59 PolarHBondContact O-N 3.45Å
58C24.8Very low29.3Very low125 Ų125143.8 Ų143.885%0.84579%0.786SS**  trans-55.1123.5165.1-168.30000109.6
59S29.4Very low29.4Very low119 Ų119146.7 Ų146.783%0.83279%0.787SS**  trans-164.6137.1154.4-78.10000110.8T57T57-S59 PolarHBondContact O-N 3.45Å
60S28.3Very low29.5Very low103 Ų103147.3 Ų147.372%0.7279%0.791SS**  trans-69.3155.2-175.1-46.20000113.3
61L28.3Very low29.6Very low154 Ų154147.5 Ų147.581%0.80679%0.793SS**  trans66.6117.7145-69.3154.8000119.9
62T30.9Very low29.8Very low140 Ų140144.4 Ų144.486%0.85979%0.794SS**  trans72.6134.814262.70000120.6
63G31.1Very low29.7Very low82 Ų82140.5 Ų140.585%0.84579%0.79SS**  trans121.6110.3153.300000114.9
64A28.6Very low30Very low87 Ų87136.7 Ų136.772%0.71979%0.787SS**  trans-81.3149.1-175.500000114.1
65H34.2Very low29.7Very low183 Ų183139.7 Ų139.785%0.84779%0.79SS**  161.8138.2115.9-97.6-92.1000112.7
66S28.5Very low29.8Very low92 Ų92137 Ų13764%0.64379%0.794SS**  trans-70.9158.5-178.4-55.30000114.5
67F29.6Very low29.5Very low166 Ų166135.5 Ų135.573%0.72879%0.787SS**  161.6116.8112-91.7-84.9000114.1
68K30.3Very low29.4Very low159 Ų159139.9 Ų139.969%0.69180%0.796SS**  trans64.4122.9132.3-69.1-175.4-175.61670125.3
69H29.3Very low29.4Very low170 Ų170142 Ų14279%0.78780%0.799SS**  trans54.1148.8132.2-61.6-69.8000120.1
70S30.4Very low29.3Very low116 Ų116139.7 Ų139.781%0.81179%0.794SS**  cis-169.3174.224.610.20000111.3
71S29.5Very low29.2Very low119 Ų119140.6 Ų140.683%0.83280%0.8SS**  trans-106.6162.4-162.1-27.90000115.5
72S33.8Very low29.1Very low119 Ų119141.7 Ų141.783%0.83280%0.801SS**  trans-173.9111.3148.626.40000108.8
73S28.6Very low28.8Very low105 Ų105140.8 Ų140.873%0.73480%0.796SS**  69.911877.3172.20000114.6
74I31.5Very low28.5Very low171 Ų171146.5 Ų146.588%0.87779%0.793SS**  -166.7139.6128.2-89.1148.1000110.3
75Y24.2Very low28.4Very low183 Ų183148.9 Ų148.972%0.71879%0.794SS**  trans-82.3153.1-176-110.8-103.7000113.4R77Y75-R77 HydrophobicContact CD1-CG 4.14Å; Y75-R77 HydrophobicContact CE1-CG 4.25Å
76S31.1Very low27.9Very low124 Ų124147 Ų14787%0.86780%0.796SS**  trans-157.3134.5134.8470000111.1
77R25Very low28Very low205 Ų205149 Ų14977%0.77480%0.804SS**  trans-92.5146.5-176.3-62.3175.4-175.4169.60.7109.8Y75Y75-R77 HydrophobicContact CD1-CG 4.14Å; Y75-R77 HydrophobicContact CE1-CG 4.25Å
78F29Very low28.1Very low216 Ų216148.4 Ų148.495%0.94781%0.807SS**  trans-148.4133.6144.2-114-83.7000111.8
79N26.4Very low27.9Very low168 Ų168144.4 Ų144.490%0.89881%0.81SS**  trans-72.9151.9-179.7-88.4-23.9000112.3
80G26.6Very low28Very low71 Ų71147.2 Ų147.273%0.73281%0.814SS**  trans167.180.7163.800000116.4
81S27Very low27.8Very low123 Ų123149.7 Ų149.786%0.8682%0.818SS**  trans35.2106.2145-48.90000120.5
82Q24.7Very low27.9Very low177 Ų177153.6 Ų153.683%0.82782%0.815SS**  trans-89.1118.2163.2-69.6178.712.800111
83T25.8Very low27.5Very low121 Ų121153.7 Ų153.774%0.74281%0.813SS**  trans-109.2119.7161.951.70000109.7
84Y24Very low27.5Very low201 Ų201155.6 Ų155.679%0.78881%0.805SS**  trans-90.6109.8175.718.2-91.5000109.7
85N26.1Very low27.3Very low137 Ų137154.7 Ų154.773%0.73380%0.802SS**  trans-106.1110.2171.4-76.2-23.7000110.2T87N85-T87 PolarHBondContact O-N 2.64Å
86T23.9Very low27.4Very low145 Ų145156.2 Ų156.289%0.8981%0.808SS**  trans-75.6102.6164.6290000108
87T31.1Very low27.2Very low133 Ų133157.6 Ų157.682%0.81680%0.804SS**  trans-98.6103.3176.235.70000110.8N85N85-T87 PolarHBondContact O-N 2.64Å
88I31.3Very low27.2Very low154 Ų154159 Ų15979%0.7981%0.809SS**  trans-49140.8155.5-67.7162.3000108.8R90I88-R90 PolarHBondContact O-N 3.41Å
89G26Very low27.1Very low74 Ų74157.6 Ų157.676%0.76380%0.802SS**  trans-44.7131.9-176.100000113.7
90R31.2Very low27Very low230 Ų230154.4 Ų154.487%0.86879%0.793SS**  trans-134.2125.8164.6-71.9-172-179.9-179.8-0.5108I88 R92I88-R90 PolarHBondContact O-N 3.41Å; R90-R92 PolarHBondContact O-N 2.98Å
91D27.9Very low27.2Very low168 Ų168157.2 Ų157.290%0.89879%0.792SS**  trans-43.1125.6167.7-65.5-62000110.5
92R30.2Very low27.4Very low200 Ų200160.1 Ų160.176%0.75579%0.791SS**PPolyproline II helixtrans-99120168.5-84.4-174.8176.3-171.1-1.5108.5R90 Y94R90-R92 PolarHBondContact O-N 2.98Å; R92-Y94 HydrophobicContact CB-CE2 4.28Å
93P25.6Very low27.4Very low121 Ų121155 Ų15579%0.78679%0.786SS**PPolyproline II helixtrans-75126.6169.631.2-29.1000108
94Y28.1Very low27.7Very low145 Ų145156.9 Ų156.957%0.56979%0.791SS**PPolyproline II helixtrans-101.1117.6168.4-78.5-80.6000109.1R92R92-Y94 HydrophobicContact CB-CE2 4.28Å
95N27.4Very low27.7Very low153 Ų153155.4 Ų155.482%0.81879%0.792SS**PPolyproline II helixtrans-75.2124.9164.1-69.1-28.5000108.2I97N95-I97 PolarHBondContact O-N 2.93Å
96Y27.2Very low28Very low214 Ų214157.7 Ų157.784%0.83980%0.798SS**  trans-76.7115.2170.3-68.8-84.2000109
97I26.4Very low28.3Very low153 Ų153159 Ų15979%0.78580%0.799SS**  trans-86.9109160-62.4173.9000106.2N95 K99N95-I97 PolarHBondContact O-N 2.93Å; I97-K99 HydrophobicContact CG2-CG 4.45Å
98R24.6Very low27.9Very low234 Ų234160.8 Ų160.888%0.88380%0.802SS**  trans-85.5105.9170.2-154.1-176.7-142.3-176.44.4106.4
99K28.1Very low27.8Very low187 Ų187161.1 Ų161.181%0.81380%0.804SS**  trans-79.5115.5162.4-74.2-170.8174.5-171.10107.4I97I97-K99 HydrophobicContact CG2-CG 4.45Å
100S24.5Very low27.8Very low101 Ų101163.3 Ų163.371%0.70681%0.805SS**  trans-101.5114.6170.847.30000107.2
101D30.2Very low28Very low130 Ų130158.8 Ų158.870%0.69580%0.802SS**  trans-130.5132.9164.6-70.7-47.7000109
102H30.2Very low28.1Very low184 Ų184156.5 Ų156.585%0.85280%0.797SS**  trans84.6117.9169.8-56.2-62.7000118.5
103G26.1Very low27.9Very low69 Ų69150.7 Ų150.771%0.71180%0.799SS**  trans-80.2154.3-176.600000113.4
104D30.7Very low28.2Very low161 Ų161152.8 Ų152.886%0.86180%0.802SS**  -158.7145.5127.8-110.4-27.5000109.3
105Q25.5Very low28.3Very low170 Ų170151.6 Ų151.679%0.79481%0.812SS**  trans-70.9138-166.2-58.516416.400111.6
106Q32.5Very low28.2Very low186 Ų186153.5 Ų153.587%0.86982%0.816SS**  trans-177.1113.3137.7-99.6156.872.500113.6
107L29.5Very low28.5Very low173 Ų173152.2 Ų152.291%0.90682%0.817SS**  trans51.8117.1143.6-67.1162.4000121.2
108L22.8Very low28.8Very low170 Ų170153.5 Ų153.589%0.8982%0.817SS**  trans-76.6139.2177.6-64.7163.2000113.1
109I29.5Very low28.9Very low160 Ų160150 Ų15082%0.82182%0.816SS**  trans-140.9119.6150.3-54.1178.1000108.1
110P25.3Very low29Very low120 Ų120150.9 Ų150.978%0.77982%0.82SS**  trans-94.2143.5174.933.8-28.4000111.9
111V35.3Very low29.1Very low135 Ų135154 Ų15482%0.81883%0.828SS**  trans-124.3138.7169.9179.90000109.8
112P29.5Very low28.9Very low121 Ų121155.7 Ų155.779%0.78684%0.836SS**  trans-85.9159.5-159.7-4.725.2000114.4
113G26.6Very low28.5Very low78 Ų78152.1 Ų152.180%0.80483%0.832SS**  trans-76.2162179.100000115.4
114I32.8Very low28.7Very low165 Ų165154.1 Ų154.185%0.84684%0.835SS**  trans-130.4142.7169.8-66.8179.7000108.5
115P29Very low28.3Very low120 Ų120155.3 Ų155.378%0.77984%0.835SS**  trans-96.2168.3-147.3-2.724000116.1
116Q26.9Very low28.6Very low193 Ų193155 Ų15590%0.90284%0.837SS**  trans-62.2139.7169.7-61.4-176.4-13.300112.5
117H33.3Very low28.5Very low186 Ų186151.5 Ų151.586%0.86183%0.833SS**  trans-118.7133.5167.2-154.8-81.5000111.1
118K31.9Very low28.4Very low180 Ų180149.5 Ų149.578%0.78383%0.834SS**  trans-84.7160.6-172.4-62.8171178.7176.70112
119D26.3Very low28.7Very low162 Ų162145.1 Ų145.187%0.86683%0.83SS**  trans-49.8143175-57.1-60.6000114.4
120K30.9Very low28.5Very low204 Ų204144 Ų14489%0.88783%0.83SS**  trans-142.1110153.8-90.2-172.6177.6-177.80109.6
121L25.6Very low28.6Very low168 Ų168145.6 Ų145.688%0.8883%0.831SS**  trans-65.5136.8157.2-70.6166.3000108.6
122L26.4Very low28.4Very low164 Ų164144.3 Ų144.386%0.85983%0.828SS**  trans-138.7109.7160.9-156.276.2000108.7
123S22.3Very low28.1Very low109 Ų109150.2 Ų150.276%0.76283%0.834SS**  trans-76144.8167.3-53.30000109.5
124S30Very low28.4Very low111 Ų111153.5 Ų153.578%0.77684%0.838SS**  trans-146.2101161.3-55.10000108.1
125E22.3Very low28.1Very low186 Ų186156.4 Ų156.487%0.86984%0.839SS**  trans-77.3133.2162.7-58.1-171.8153.300108.5
126I32.2Very low28.4Very low163 Ų163158.7 Ų158.784%0.83684%0.839SS**  trans-149.1113.6147.7-60.4-171.4000110.2
127S31Very low28.8Very low113 Ų113155.6 Ų155.679%0.7983%0.829SS**  trans54.4118.4140-570000124.1
128S25.8Very low28.8Very low131 Ų131153.6 Ų153.692%0.91682%0.824SS**  trans-52139.8148.1-52.70000113.6
129G29.3Very low29Very low78 Ų78152.2 Ų152.280%0.80483%0.831SS**  trans-160.6115.3169.200000111.2
130V25.5Very low29.3Very low136 Ų136147.3 Ų147.382%0.82482%0.818SS**  trans-84.9169.8174.91780000109
131I28.4Very low29.3Very low155 Ų155145.8 Ų145.880%0.79582%0.819SS**  trans93.1130.3166.3-49.5173.6000112.1
132S29.7Very low29.5Very low108 Ų108143.3 Ų143.376%0.75581%0.812SS**  cis-160163.312.3-1170000111.9
133R24.1Very low29.6Very low245 Ų245141 Ų14193%0.92581%0.81SS**  trans-65.9138.2170-63.5171.8177.9159.4-0.6111.3
134V33.7Very low29.8Very low147 Ų147141.5 Ų141.589%0.89181%0.812SS**  trans-135.4133.2154.2178.60000108.7
135R26Very low29.6Very low226 Ų226141 Ų14185%0.85381%0.809SS**  trans-97173-177.7-161.4179.7-169.6-171.41.5108.2
136E34.5Very low30.1Very low168 Ų168136.8 Ų136.879%0.78580%0.8SS**  trans104.8139169.2-59.2179.9-177.700114.7
137N36.4Very low29.8Very low128 Ų128137 Ų13768%0.68480%0.803SS**  cis-161.2155.1-10.8-101.1-24.7000109
138N31.9Very low29.7Very low143 Ų143137.7 Ų137.777%0.76580%0.802SS**  trans-32141.2177.3-56.8-67.8000120
139V37.3Very low29.8Very low152 Ų152138.5 Ų138.592%0.92180%0.795SS**  -150.6107.3126.3-177.70000111
140G32.5Very low29.7Very low58 Ų58144.7 Ų144.760%0.59880%0.796SS**  64.298.3128.400000124.7
141L30.2Very low30.1Very low172 Ų172143.2 Ų143.290%0.90179%0.787SS**  trans71.8152.8134-69.7132.9000122.3
142P31.1Very low30.5Very low116 Ų116144.6 Ų144.675%0.75379%0.787SS**  cis-127.4166.2-22.733.1-14.1000115
143S26.6Very low31.1Very low115 Ų115145.6 Ų145.680%0.80479%0.789SS**  trans-45.4128.4177.9-175.50000116.1
144C27.1Very low31.9Very low120 Ų120138.1 Ų138.181%0.81177%0.774SS**  trans-142.7104.4142.4-155.90000109.6S146C144-S146 PolarHBondContact O-N 3.15Å
145S26.8Very low32.5Very low102 Ų102141.3 Ų141.371%0.71377%0.77SS**  trans-53.6116.8171.250.60000111.3
146S32.1Very low33.1Very low96 Ų96137.1 Ų137.167%0.67176%0.758SS**  trans-158.891.8156.3-76.60000109C144 V148C144-S146 PolarHBondContact O-N 3.15Å; S146-V148 PolarHBondContact O-N 3.48Å
147N26.1Very low33.3Very low167 Ų167139.7 Ų139.789%0.89376%0.761SS**  trans-60.182.8162.4-73.5-40.3000109L149N147-L149 VanDerWaalsContact C-N 3.26Å; N147-L149 PolarHBondContact O-N 3.04Å
148V28Very low33.5Very low128 Ų128141.6 Ų141.678%0.77676%0.76SS**  trans-83.981.6171.3-174.60000107.6S146 Y150S146-V148 PolarHBondContact O-N 3.48Å; V148-Y150 PolarHBondContact O-N 3.31Å
149L27.8Very low34.3Very low148 Ų148139.1 Ų139.178%0.77575%0.75SS**  trans-52.7104.4162.8-88.5151.4000109N147 T151N147-L149 VanDerWaalsContact C-N 3.26Å; N147-L149 PolarHBondContact O-N 3.04Å; L149-T151 VanDerWaalsContact C-N 3.29Å; L149-T151 PolarHBondContact O-N 3.39Å
150Y28.1Very low34.3Very low209 Ų209138.5 Ų138.582%0.8273%0.734SS**  trans-64.886.9172.5-175.1-91.4000109.3V148V148-Y150 PolarHBondContact O-N 3.31Å
151T33.4Very low34.4Very low104 Ų104141.3 Ų141.364%0.63874%0.742SS**  trans-80.9123.6170.859.90000108.7L149 T153L149-T151 VanDerWaalsContact C-N 3.29Å; L149-T151 PolarHBondContact O-N 3.39Å; T151-T153 WeakPolarHBondContact O-CG2 3.19Å; T151-T153 PolarHBondContact O-N 3.36Å
152K37.4Very low35.2Very low184 Ų184137.2 Ų137.280%0.874%0.741SS**  trans-5493.6177.3-72.5170.9175.8171.90110.5S154K152-S154 PolarHBondContact O-N 3.39Å
153T42.5Very low35.8Very low130 Ų130134 Ų13480%0.79872%0.722SS**  trans-76.250.2178.454.30000112.4T151 R155T151-T153 WeakPolarHBondContact O-CG2 3.19Å; T151-T153 PolarHBondContact O-N 3.36Å; T153-R155 PolarHBondContact O-N 3.46Å
154S40.1Very low36.8Very low87 Ų87133.8 Ų133.861%0.60872%0.721SS**  trans-81114.5165.6-173.40000108.9K152 F156K152-S154 PolarHBondContact O-N 3.39Å; S154-F156 PolarHBondContact O-N 3.26Å; S154-F156 PolarHBondContact OG-O 3.49Å
155R46.5Very low37.9Very low215 Ų215132.8 Ų132.881%0.81172%0.721SS**SBendtrans-63-1.4174.3-76.4-178.6-77.1165.2-3.5114.2T153T153-R155 PolarHBondContact O-N 3.46Å
156F38.2Very low38.8Very low137 Ų137133.4 Ų133.460%0.60173%0.725SS**  trans-145.5123.8177-60.8-79.7000108.6S154 I183S154-F156 PolarHBondContact O-N 3.26Å; S154-F156 PolarHBondContact OG-O 3.49Å; F156-I183 HydrophobicContact CD1-CG2 3.83Å; F156-I183 HydrophobicContact CE1-CG2 3.67Å
157R40.4Very low39Very low223 Ų223133 Ų13384%0.84272%0.722SS**  trans-101.1122167.5-165-177.1-89.3-166.2-2.8107.7V159R157-V159 PolarHBondContact O-N 2.99Å
158Y40.5Very low39.8Very low167 Ų167136 Ų13666%0.65572%0.721SS**  trans-69.8122.5169.6-177.8-98.8000108K160Y158-K160 HydrophobicContact CD1-CG 4.42Å; Y158-K160 HydrophobicContact CE1-CG 3.58Å
159V48.1Very low40.3Very low91 Ų91138.5 Ų138.555%0.55273%0.729SS**  trans-117.8117.6173.6-175.20000105.9R157 S163R157-V159 PolarHBondContact O-N 2.99Å; V159-S163 VanDerWaalsContact CG1-OG 3.27Å; V159-S163 WeakPolarHBondContact CG1-OG 3.21Å
160K36.2Very low40.6Very low139 Ų139136.5 Ų136.560%0.60473%0.734SS**  trans-64.1138.5173.2-85-171.7173175.40108.4Y158 G162 S163Y158-K160 HydrophobicContact CD1-CG 4.42Å; Y158-K160 HydrophobicContact CE1-CG 3.58Å; K160-G162 PolarHBondContact O-N 3.24Å; K160-G162 VanDerWaalsContact O-N 3.14Å; K160-S163 PolarHBondContact O-N 2.75Å; K160-S163 PolarHBondContact O-OG 2.85Å; K160-S163 VanDerWaalsContact O-OG 3.09Å
161P35.2Very low41Very low117 Ų117131.4 Ų131.476%0.7673%0.728SS**THydrogen-bonded Turntrans-55.3122.3163.4-15.528.4000108
162G46.8Very low41.2Very low86 Ų86134.8 Ų134.889%0.88774%0.735SS**THydrogen-bonded Turntrans103.5-4.3179.300000116.8K160 S164K160-G162 PolarHBondContact O-N 3.24Å; K160-G162 VanDerWaalsContact O-N 3.14Å; G162-S164 PolarHBondContact O-N 3.13Å
163S44.7Very low41Very low49 Ų49133.6 Ų133.634%0.34374%0.737SS.*  trans-72.7128.7170510000110.8V159 K160 A165V159-S163 VanDerWaalsContact CG1-OG 3.27Å; V159-S163 WeakPolarHBondContact CG1-OG 3.21Å; K160-S163 PolarHBondContact O-N 2.75Å; K160-S163 PolarHBondContact O-OG 2.85Å; K160-S163 VanDerWaalsContact O-OG 3.09Å; S163-A165 PolarHBondContact O-N 3.39Å
164S47.8Very low40.6Very low111 Ų111133.8 Ų133.878%0.77673%0.733SS**G310 helixtrans-51.77.8-176.139.20000117.8G162 S166 S167G162-S164 PolarHBondContact O-N 3.13Å; S164-S166 VanDerWaalsContact C-N 3.31Å; S164-S167 PolarHBondContact O-OG 3.42Å
165A50.3Low40.4Very low99 Ų99135.3 Ų135.382%0.81874%0.743SS**G310 helixtrans-84.2-0.7174.100000113.8S163S163-A165 PolarHBondContact O-N 3.39Å
166S43.9Very low40.2Very low115 Ų115132.3 Ų132.380%0.80474%0.739SS**G310 helixtrans-108.72-177-149.90000114.5S164S164-S166 VanDerWaalsContact C-N 3.31Å
167S37.2Very low40.1Very low86 Ų86133 Ų13360%0.60175%0.748SS**  trans-103.783-178.555.60000110.4S164S164-S167 PolarHBondContact O-OG 3.42Å
168R42Very low39.9Very low231 Ų231128.7 Ų128.787%0.87275%0.746SS**SBendtrans-175.3100159.8-104.1177.5-88.9-145.53105.6
169L39.9Very low40Very low181 Ų181129 Ų12995%0.94875%0.751SS**SBendtrans98.272.9-177.5-52.9148.7000115.6
170A34Very low39.7Very low105 Ų105133.1 Ų133.187%0.86876%0.761SS**  trans-1578115100000107.9
171S36.5Very low39.8Very low102 Ų102134.9 Ų134.971%0.71377%0.769SS**  trans-71.3130.3171.9-161.40000108.9
172K36.5Very low40.1Very low176 Ų176134.2 Ų134.277%0.76577%0.767SS**SBendtrans61.9120.5152.7-65.5173-180-178.10117.8
173N34.6Very low40Very low158 Ų158136.2 Ų136.285%0.84576%0.756SS**  trans75.193.5156.4-49-10.6000115.1
174N33.5Very low40.5Very low135 Ų135142.8 Ų142.872%0.72278%0.778SS**  168.8113.2110.6-146.6-19.6000108.9Q176N174-Q176 PolarHBondContact O-N 3.18Å
175S36.3Very low40.5Very low118 Ų118145.3 Ų145.383%0.82578%0.775SS**  trans-67.985.617440.80000110.6
176Q42.3Very low40.7Very low153 Ų153148.4 Ų148.472%0.71578%0.775SS**  trans-127.7110.1165.4-76.4-173.94.600110.5N174 V178N174-Q176 PolarHBondContact O-N 3.18Å; Q176-V178 PolarHBondContact O-N 3.29Å
177L35.5Very low41.2Very low152 Ų152147.7 Ų147.780%0.79677%0.77SS**  trans-33.1101.5168.5-88.4151.9000113.1K179L177-K179 VanDerWaalsContact C-N 3.31Å; L177-K179 PolarHBondContact O-N 3.22Å
178V36.7Very low41.8Very low131 Ų131152.6 Ų152.679%0.79478%0.775SS**  trans-76.382.9173.9-175.50000109.3Q176 K180Q176-V178 PolarHBondContact O-N 3.29Å; V178-K180 PolarHBondContact O-N 3.34Å
179K42.2Very low42.5Very low175 Ų175149.4 Ų149.476%0.76177%0.77SS**  trans-83.821.5172.7-70.1-173.9179.9178.60113.7L177L177-K179 VanDerWaalsContact C-N 3.31Å; L177-K179 PolarHBondContact O-N 3.22Å
180K42.4Very low43.4Very low177 Ų177148.2 Ų148.277%0.7777%0.765SS**SBendtrans-117.8117.1-176-75.5179.2178.1173.20110.8V178 S182V178-K180 PolarHBondContact O-N 3.34Å; K180-S182 PolarHBondContact O-N 3.34Å
181F38.3Very low44.7Very low176 Ų176149.1 Ų149.177%0.77276%0.759SS**  trans-54.3106.1161.2-63.7-83.5000108.4
182S41.1Very low46Very low102 Ų102149.6 Ų149.671%0.71376%0.76SS**  trans-89.2109.4177.1-176.30000109.3K180 K184K180-S182 PolarHBondContact O-N 3.34Å; S182-K184 PolarHBondContact O-N 3.33Å
183I45.4Very low47.4Very low129 Ų129152.5 Ų152.566%0.66277%0.766SS**  trans-78.595.5165.9-60.1175.9000106.7F156 K185F156-I183 HydrophobicContact CD1-CG2 3.83Å; F156-I183 HydrophobicContact CE1-CG2 3.67Å; I183-K185 PolarHBondContact O-N 3.27Å
184K53.4Low49.1Very low186 Ų186147.4 Ų147.481%0.80974%0.742SS**  trans-69.6112.9175.8-130.5175.2-175.3178.10109.1S182 M186S182-K184 PolarHBondContact O-N 3.33Å; K184-M186 PolarHBondContact O-N 3.37Å
185K48.2Very low51.3Low164 Ų164144.3 Ų144.371%0.71373%0.73SS**  trans-72106.3172.7-169.7179.9-179.6-1740107.6I183 S187I183-K185 PolarHBondContact O-N 3.27Å; K185-S187 PolarHBondContact O-N 3.39Å
186M55.5Low53.5Low165 Ų165142.9 Ų142.981%0.81373%0.726SS**  trans-63.6136.6172.6-63-176.869.800109.3K184 R188K184-M186 PolarHBondContact O-N 3.37Å; M186-R188 PolarHBondContact O-N 3.32Å
187S53.2Low55.5Low99 Ų99139.3 Ų139.369%0.69272%0.717SS**  trans-55.7126.4177.4-175.70000110K185 H189K185-S187 PolarHBondContact O-N 3.39Å; S187-H189 PolarHBondContact O-N 3.49Å; S187-H189 PolarHBondContact OG-CD2 2.95Å; S187-H189 VanDerWaalsContact OG-CD2 3.25Å
188R51.1Low57.6Low190 Ų190137.3 Ų137.372%0.71770%0.703SS**  trans-89.99.4-164.5-74.1-171.6178.6177-0.9114.5M186 N190M186-R188 PolarHBondContact O-N 3.32Å; R188-N190 VanDerWaalsContact C-N 3.27Å; R188-N190 PolarHBondContact O-N 3.33Å
189H55.8Low59.4Low163 Ų163138 Ų13876%0.75569%0.693SS**THydrogen-bonded Turntrans-75.7-1.3-158.7-70.9-63.8000116.8S187S187-H189 PolarHBondContact O-N 3.49Å; S187-H189 PolarHBondContact OG-CD2 2.95Å; S187-H189 VanDerWaalsContact OG-CD2 3.25Å
190N58.1Low61.2Low157 Ų157136.2 Ų136.284%0.8469%0.685SS**THydrogen-bonded Turntrans-145.123.5-178.8-85.8-42.4000115.7R188 P192R188-N190 VanDerWaalsContact C-N 3.27Å; R188-N190 PolarHBondContact O-N 3.33Å; N190-P192 VanDerWaalsContact O-CD 3.27Å; N190-P192 WeakPolarHBondContact O-CD 3.24Å
191V61.4Low63.1Low123 Ų123133.8 Ų133.875%0.74567%0.674SS**  trans-95.6108.8174.2-173.20000109.3R193V191-R193 PolarHBondContact O-N 2.88Å
192P65.3Low65Low113 Ų113129 Ų12973%0.73466%0.656SS**PPolyproline II helixtrans-58.9131.7176.620.7-28.9000109.5N190N190-P192 VanDerWaalsContact O-CD 3.27Å; N190-P192 WeakPolarHBondContact O-CD 3.24Å
193R64.6Low66.9Low237 Ų237126.9 Ų126.989%0.89464%0.638SS**PPolyproline II helixtrans-59.5126.2175.7-173.2175.7-178174.5-0107.3V191 S195V191-R193 PolarHBondContact O-N 2.88Å; R193-S195 PolarHBondContact O-N 2.95Å
194P70.4Confident68.4Low51 Ų51125.5 Ų125.533%0.33163%0.629SS.*PPolyproline II helixtrans-56.1140.5179.720.3-30.3000109.4Q198P194-Q198 HydrophobicContact CB-CB 4.06Å; P194-Q198 HydrophobicContact CB-CG 4.15Å
195S81Confident69.6Low69 Ų69124 Ų12448%0.48362%0.623SS.*PPolyproline II helixtrans-53.4154.6174.870.10000110.3R193 C197 Q198 Y199R193-S195 PolarHBondContact O-N 2.95Å; S195-C197 PolarHBondContact O-N 2.88Å; S195-C197 VanDerWaalsContact O-N 3.11Å; S195-Q198 PolarHBondContact O-N 3.11Å; S195-Q198 PolarHBondContact OG-N 2.99Å; S195-Y199 PolarHBondContact O-N 3.1Å
196A81.8Confident70.8Confident89 Ų89118.4 Ų118.474%0.73661%0.607SS**Hα-helixtrans-52.6-38.2-178.500000112.3K200A196-K200 PolarHBondContact O-N 3.18Å
197C85.1Confident71.7Confident77 Ų77114.4 Ų114.452%0.5259%0.592SS.*Hα-helixtrans-64.3-45.4175-177.80000112.6S195 K200 K201S195-C197 PolarHBondContact O-N 2.88Å; S195-C197 VanDerWaalsContact O-N 3.11Å; C197-K200 PolarHBondContact O-N 3.23Å; C197-K201 PolarHBondContact O-N 3.28Å; C197-K201 VanDerWaalsContact O-N 3.1Å
198Q79.1Confident72.5Confident111 Ų111115 Ų11552%0.51958%0.583SS.*Hα-helixtrans-68.4-37.5179.5-168.4168.511.500112P194 S195 K201 I202P194-Q198 HydrophobicContact CB-CB 4.06Å; P194-Q198 HydrophobicContact CB-CG 4.15Å; S195-Q198 PolarHBondContact O-N 3.11Å; S195-Q198 PolarHBondContact OG-N 2.99Å; Q198-K201 PolarHBondContact O-N 3.45Å; Q198-I202 HydrophobicContact CG-CD1 4.29Å; Q198-I202 VanDerWaalsContact O-CG1 3.29Å; Q198-I202 WeakPolarHBondContact O-CG1 3.29Å; Q198-I202 PolarHBondContact O-N 2.86Å
199Y74.5Confident73.2Confident146 Ų146108.9 Ų108.957%0.57357%0.57SS**Hα-helixtrans-60.5-45.5172.3-175.7-98.8000111.7S195 K201 I202 V203S195-Y199 PolarHBondContact O-N 3.1Å; Y199-K201 VanDerWaalsContact C-N 3.34Å; Y199-K201 PolarHBondContact O-N 3.44Å; Y199-I202 PolarHBondContact O-N 3.01Å; Y199-V203 HydrophobicContact CD1-CG2 4.05Å; Y199-V203 HydrophobicContact CE1-CG2 3.64Å; Y199-V203 HydrophobicContact CE2-CG2 4.26Å; Y199-V203 WeakPolarHBondContact O-CG2 3.43Å; Y199-V203 PolarHBondContact O-N 3.27Å
200K78.7Confident73.8Confident137 Ų137106.5 Ų106.560%0.59656%0.562SS**Hα-helixtrans-56.6-45.6176-171177.5-179.4179.70111.7A196 C197 V203 Q204A196-K200 PolarHBondContact O-N 3.18Å; C197-K200 PolarHBondContact O-N 3.23Å; K200-V203 PolarHBondContact O-N 3.06Å; K200-Q204 WeakPolarHBondContact O-CB 3.3Å; K200-Q204 WeakPolarHBondContact O-CG 3.4Å; K200-Q204 PolarHBondContact O-N 3.41Å
201K82.8Confident73.8Confident126 Ų126106.7 Ų106.755%0.54856%0.556SS.*Hα-helixtrans-63-41.6176.6-70.8-178.7-179.6179.50112.7C197 Q198 Y199 Q204 K205C197-K201 PolarHBondContact O-N 3.28Å; C197-K201 VanDerWaalsContact O-N 3.1Å; Q198-K201 PolarHBondContact O-N 3.45Å; Y199-K201 VanDerWaalsContact C-N 3.34Å; Y199-K201 PolarHBondContact O-N 3.44Å; K201-Q204 PolarHBondContact O-N 3.42Å; K201-K205 WeakPolarHBondContact O-CB 3.26Å; K201-K205 WeakPolarHBondContact O-CG 3.47Å; K201-K205 PolarHBondContact O-N 3.34Å
202I78.7Confident73.4Confident74 Ų74108.8 Ų108.838%0.37956%0.555SS.*Hα-helixtrans-63.1-45.5177.2-68.1164.2000110.6Q198 Y199 K205 A206Q198-I202 HydrophobicContact CG-CD1 4.29Å; Q198-I202 VanDerWaalsContact O-CG1 3.29Å; Q198-I202 WeakPolarHBondContact O-CG1 3.29Å; Q198-I202 PolarHBondContact O-N 2.86Å; Y199-I202 PolarHBondContact O-N 3.01Å; I202-K205 PolarHBondContact O-N 3.4Å; I202-A206 WeakPolarHBondContact O-CB 3.5Å; I202-A206 PolarHBondContact O-N 3.25Å
203V80.8Confident72.8Confident58 Ų58113.2 Ų113.235%0.35256%0.557SS.*Hα-helixtrans-64.3-45.6178.21750000110.8Y199 K200 K205 A206 V207Y199-V203 HydrophobicContact CD1-CG2 4.05Å; Y199-V203 HydrophobicContact CE1-CG2 3.64Å; Y199-V203 HydrophobicContact CE2-CG2 4.26Å; Y199-V203 WeakPolarHBondContact O-CG2 3.43Å; Y199-V203 PolarHBondContact O-N 3.27Å; K200-V203 PolarHBondContact O-N 3.06Å; V203-K205 PolarHBondContact O-N 2.84Å; V203-A206 PolarHBondContact O-N 3.45Å; V203-V207 HydrophobicContact CG1-CG2 4.17Å; V203-V207 WeakPolarHBondContact O-CB 3.33Å; V203-V207 VanDerWaalsContact O-CG2 3.29Å; V203-V207 WeakPolarHBondContact O-CG2 3.11Å; V203-V207 PolarHBondContact O-N 3.02Å
204Q76.6Confident72.6Confident100 Ų100111.4 Ų111.447%0.46755%0.55SS.*Hα-helixtrans-57.8-47.3175.8-76.5175.1-21.100112K200 K201 A206 V207 H208K200-Q204 WeakPolarHBondContact O-CB 3.3Å; K200-Q204 WeakPolarHBondContact O-CG 3.4Å; K200-Q204 PolarHBondContact O-N 3.41Å; K201-Q204 PolarHBondContact O-N 3.42Å; Q204-A206 VanDerWaalsContact C-N 3.34Å; Q204-A206 PolarHBondContact O-N 3Å; Q204-V207 PolarHBondContact O-N 3.26Å; Q204-H208 WeakPolarHBondContact O-CB 3.45Å; Q204-H208 PolarHBondContact O-N 3.16Å
205K78.1Confident72.5Confident155 Ų155117.9 Ų117.967%0.67457%0.568SS**Hα-helixtrans-60.8-41175.4-77.2-175.7178.1-174.40112.3K201 I202 V203 S209K201-K205 WeakPolarHBondContact O-CB 3.26Å; K201-K205 WeakPolarHBondContact O-CG 3.47Å; K201-K205 PolarHBondContact O-N 3.34Å; I202-K205 PolarHBondContact O-N 3.4Å; V203-K205 PolarHBondContact O-N 2.84Å; K205-S209 VanDerWaalsContact O-CB 3.29Å; K205-S209 WeakPolarHBondContact O-CB 3.24Å; K205-S209 PolarHBondContact O-N 3.04Å; K205-S209 PolarHBondContact O-OG 3.31Å
206A75.3Confident72.6Confident46 Ų46121.1 Ų121.138%0.3858%0.577SS.*Hα-helixtrans-66-45.9177.600000111.7I202 V203 Q204 S209 L210I202-A206 WeakPolarHBondContact O-CB 3.5Å; I202-A206 PolarHBondContact O-N 3.25Å; V203-A206 PolarHBondContact O-N 3.45Å; Q204-A206 VanDerWaalsContact C-N 3.34Å; Q204-A206 PolarHBondContact O-N 3Å; A206-S209 PolarHBondContact O-N 3.12Å; A206-L210 WeakPolarHBondContact O-CB 3.32Å; A206-L210 VanDerWaalsContact O-CG 3.22Å; A206-L210 WeakPolarHBondContact O-CG 3.39Å; A206-L210 PolarHBondContact O-N 3.5Å
207V74.1Confident72.9Confident82 Ų82118 Ų11850%0.49755%0.548SS..Hα-helixtrans-62.2-45.5176.6172.20000110.8V203 Q204 L210 K211V203-V207 HydrophobicContact CG1-CG2 4.17Å; V203-V207 WeakPolarHBondContact O-CB 3.33Å; V203-V207 VanDerWaalsContact O-CG2 3.29Å; V203-V207 WeakPolarHBondContact O-CG2 3.11Å; V203-V207 PolarHBondContact O-N 3.02Å; Q204-V207 PolarHBondContact O-N 3.26Å; V207-L210 PolarHBondContact O-N 3.37Å; V207-K211 WeakPolarHBondContact O-CB 3.2Å; V207-K211 PolarHBondContact O-N 3.17Å
208H69.2Low73.3Confident111 Ų111114.5 Ų114.551%0.51453%0.525SS..Hα-helixtrans-59.3-48.8173.7-79.8-171.8000111.3Q204 L210 K211 F212Q204-H208 WeakPolarHBondContact O-CB 3.45Å; Q204-H208 PolarHBondContact O-N 3.16Å; H208-L210 VanDerWaalsContact C-N 3.29Å; H208-L210 PolarHBondContact O-N 2.91Å; H208-K211 WeakPolarHBondContact O-CA 3.38Å; H208-K211 WeakPolarHBondContact O-CB 3.33Å; H208-K211 PolarHBondContact O-N 2.76Å; H208-F212 HydrophobicContact CB-CD2 4.44Å; H208-F212 HydrophobicContact CB-CE2 4.35Å; H208-F212 WeakPolarHBondContact O-CD2 3.23Å; H208-F212 PolarHBondContact O-N 2.77Å
209S66.6Low73.8Confident62 Ų62115.7 Ų115.743%0.43453%0.531SS..Hα-helixtrans-60-38.2178.2-58.80000112.3K205 A206 F212 R213K205-S209 VanDerWaalsContact O-CB 3.29Å; K205-S209 WeakPolarHBondContact O-CB 3.24Å; K205-S209 PolarHBondContact O-N 3.04Å; K205-S209 PolarHBondContact O-OG 3.31Å; A206-S209 PolarHBondContact O-N 3.12Å; S209-F212 PolarHBondContact O-N 3.4Å; S209-R213 WeakPolarHBondContact O-CB 3.49Å; S209-R213 VanDerWaalsContact O-CG 3.23Å; S209-R213 WeakPolarHBondContact O-CG 3.32Å; S209-R213 PolarHBondContact O-N 3.17Å
210L67.3Low74.6Confident113 Ų113112 Ų11259%0.59253%0.526SS*.Hα-helixtrans-67.9-38174.8-71.1166.5000112A206 V207 H208 R213 R214A206-L210 WeakPolarHBondContact O-CB 3.32Å; A206-L210 VanDerWaalsContact O-CG 3.22Å; A206-L210 WeakPolarHBondContact O-CG 3.39Å; A206-L210 PolarHBondContact O-N 3.5Å; V207-L210 PolarHBondContact O-N 3.37Å; H208-L210 VanDerWaalsContact C-N 3.29Å; H208-L210 PolarHBondContact O-N 2.91Å; L210-R213 PolarHBondContact O-N 3.35Å; L210-R214 PolarHBondContact O-N 3Å
211K59.3Low75.3Confident161 Ų161106.9 Ų106.970%0.750%0.503SS*.Hα-helixtrans-64-41.1174.7-168.1177.5-179.7-1780111.4V207 H208V207-K211 WeakPolarHBondContact O-CB 3.2Å; V207-K211 PolarHBondContact O-N 3.17Å; H208-K211 WeakPolarHBondContact O-CA 3.38Å; H208-K211 WeakPolarHBondContact O-CB 3.33Å; H208-K211 PolarHBondContact O-N 2.76Å
212F51.3Low75.8Confident166 Ų166101 Ų10173%0.72848%0.478SS*.Hα-helixtrans-74.6-29.5175.2-72.8-69.7000113.4H208 S209 R214H208-F212 HydrophobicContact CB-CD2 4.44Å; H208-F212 HydrophobicContact CB-CE2 4.35Å; H208-F212 WeakPolarHBondContact O-CD2 3.23Å; H208-F212 PolarHBondContact O-N 2.77Å; S209-F212 PolarHBondContact O-N 3.4Å; F212-R214 VanDerWaalsContact C-N 3.29Å; F212-R214 PolarHBondContact O-N 2.97Å
213R53.1Low76.4Confident206 Ų206102.9 Ų102.978%0.77748%0.48SS*.Hα-helixtrans-71.2-21.4175.5-81.9-177-169-155.94.2113.6S209 L210 R215S209-R213 WeakPolarHBondContact O-CB 3.49Å; S209-R213 VanDerWaalsContact O-CG 3.23Å; S209-R213 WeakPolarHBondContact O-CG 3.32Å; S209-R213 PolarHBondContact O-N 3.17Å; L210-R213 PolarHBondContact O-N 3.35Å; R213-R215 VanDerWaalsContact C-N 3.29Å; R213-R215 PolarHBondContact O-N 2.97Å
214R61.5Low76.9Confident200 Ų200103.2 Ų103.276%0.75548%0.483SS*.SBendtrans-73.991.9164.7-74.1-173.7166.3171.1-2.8107.2L210 F212 M216L210-R214 PolarHBondContact O-N 3Å; F212-R214 VanDerWaalsContact C-N 3.29Å; F212-R214 PolarHBondContact O-N 2.97Å; R214-M216 PolarHBondContact O-N 3.27Å
215R67.9Low77.7Confident187 Ų18798.9 Ų98.971%0.70647%0.465SS*.PPolyproline II helixtrans-46.8126.8168.2-70.8-171.7-176.8119.7-2.2107.2R213 S235R213-R215 VanDerWaalsContact C-N 3.29Å; R213-R215 PolarHBondContact O-N 2.97Å; R215-S235 PolarHBondContact O-OG 3.4Å
216M83.1Confident78.4Confident137 Ų13797.4 Ų97.468%0.67546%0.459SS*.PPolyproline II helixtrans-62.1144.7176.8-57.4-163.1-173.200108.2R214 Y234 S235R214-M216 PolarHBondContact O-N 3.27Å; M216-Y234 HydrophobicContact CB-CD1 3.83Å; M216-Y234 HydrophobicContact CB-CE1 4.11Å; M216-Y234 CarbonylContact O-C 3.52Å; M216-Y234 VanDerWaalsContact O-CA 3.3Å; M216-Y234 WeakPolarHBondContact O-CA 3.37Å; M216-Y234 VanDerWaalsContact O-CB 3.22Å; M216-Y234 WeakPolarHBondContact O-CB 3.31Å; M216-Y234 WeakPolarHBondContact O-CD1 3.33Å; M216-S235 PolarHBondContact O-N 2.61Å
217V88.8Confident79.2Confident22 Ų2296.1 Ų96.113%0.13345%0.446CS..BIsolated β-bridgetrans-70.1141178.5-610000110.4Q219 S235 Y240 R305V217-Q219 PolarHBondContact O-N 3.25Å; V217-S235 WeakPolarHBondContact CA-O 3.39Å; V217-Y240 HydrophobicContact CB-CG 4.5Å; V217-Y240 HydrophobicContact CG1-CD1 4.15Å; V217-Y240 HydrophobicContact CG1-CD2 3.75Å; V217-Y240 HydrophobicContact CG1-CE1 4.39Å; V217-Y240 HydrophobicContact CG1-CE2 4.01Å; V217-Y240 HydrophobicContact CG1-CG 3.81Å; V217-Y240 HydrophobicContact CG2-CD1 4.36Å; V217-Y240 HydrophobicContact CG2-CG 4.49Å; V217-R305 HydrophobicContact CG2-CB 4.49Å
218C91.9Very high80.1Confident5 Ų597.7 Ų97.73%0.03446%0.461CS..  trans-71115.5178.3-179.90000110S220 Y221 C222 S235 H236C218-S220 VanDerWaalsContact C-N 3.31Å; C218-S220 PolarHBondContact O-N 3.2Å; C218-Y221 PolarHBondContact O-N 3Å; C218-C222 PolarHBondContact O-N 3.27Å; C218-C222 PolarHBondContact O-SG 3.36Å; C218-S235 PolarHBondContact N-O 3.45Å; C218-H236 WeakPolarHBondContact CB-CD2 3.36Å
219Q90.3Very high81.1Confident135 Ų13596.3 Ų96.363%0.63146%0.46SS*.Hα-helixtrans-63.8-36.1-178.1-63.9-178.816.200112.7V217 C222 R223V217-Q219 PolarHBondContact O-N 3.25Å; Q219-C222 PolarHBondContact O-N 2.92Å; Q219-R223 WeakPolarHBondContact O-CB 3.39Å; Q219-R223 PolarHBondContact O-N 3.43Å
220S91.9Very high82Confident68 Ų68100.1 Ų100.148%0.47647%0.471SS..Hα-helixtrans-62.4-46.3176.8-56.40000111.2C218 R223 T224 F226C218-S220 VanDerWaalsContact C-N 3.31Å; C218-S220 PolarHBondContact O-N 3.2Å; S220-R223 PolarHBondContact O-N 2.9Å; S220-T224 PolarHBondContact O-N 3.26Å; S220-T224 PolarHBondContact O-OG1 3.19Å; S220-F226 CarbonylContact C-O 3.4Å
221Y93.1Very high82.9Confident31 Ų31100.7 Ų100.712%0.12248%0.481CS..Hα-helixtrans-63.1-49.2175.2-179.3-102000111.3C218 R223 T224 G225 F226 H236 E238 L241C218-Y221 PolarHBondContact O-N 3Å; Y221-R223 PolarHBondContact O-N 3.44Å; Y221-R223 VanDerWaalsContact O-N 3.17Å; Y221-T224 PolarHBondContact O-N 3.35Å; Y221-G225 WeakPolarHBondContact CD2-O 3.33Å; Y221-G225 WeakPolarHBondContact CE2-O 3.36Å; Y221-G225 WeakPolarHBondContact O-CA 3.2Å; Y221-G225 PolarHBondContact O-N 2.86Å; Y221-F226 WeakPolarHBondContact CA-O 3.22Å; Y221-F226 PolarHBondContact N-O 3.25Å; Y221-H236 HydrophobicContact CD1-CB 3.84Å; Y221-H236 HydrophobicContact CD2-CB 4.11Å; Y221-H236 AromaticContact CD2-CG 3.98Å; Y221-H236 VanDerWaalsContact CE1-C 3.48Å; Y221-H236 HydrophobicContact CE1-CB 3.86Å; Y221-H236 HydrophobicContact CE2-CB 4.14Å; Y221-H236 HydrophobicContact CG-CB 3.96Å; Y221-H236 AromaticContact CG-CD2 3.67Å; Y221-H236 AromaticContact CG-CG 3.86Å; Y221-E238 WeakPolarHBondContact OH-CG 3.3Å; Y221-L241 HydrophobicContact CD1-CD2 4.07Å; Y221-L241 HydrophobicContact CE1-CD2 3.77Å; Y221-L241 HydrophobicContact CE1-CG 4.15Å; Y221-L241 VanDerWaalsContact O-CD2 3.23Å; Y221-L241 WeakPolarHBondContact O-CD2 3.41Å
222C92.6Very high84.4Confident3 Ų394.4 Ų94.42%0.0246%0.457CS..Hα-helixtrans-58-33.4178.1-65.50000113.2C218 Q219 Y240 R242C218-C222 PolarHBondContact O-N 3.27Å; C218-C222 PolarHBondContact O-SG 3.36Å; Q219-C222 PolarHBondContact O-N 2.92Å; C222-Y240 WeakPolarHBondContact CB-O 3.17Å; C222-Y240 VanDerWaalsContact SG-CB 3.59Å; C222-R242 WeakPolarHBondContact O-CB 3.25Å; C222-R242 PolarHBondContact O-N 3.42Å
223R91.7Very high86.2Confident112 Ų11290.8 Ų90.842%0.42345%0.453SS..Hα-helixtrans-83.2-39.1-177.9-179.4176174.1179.7-4.2113.8Q219 S220 Y221Q219-R223 WeakPolarHBondContact O-CB 3.39Å; Q219-R223 PolarHBondContact O-N 3.43Å; S220-R223 PolarHBondContact O-N 2.9Å; Y221-R223 PolarHBondContact O-N 3.44Å; Y221-R223 VanDerWaalsContact O-N 3.17Å
224T91.5Very high87.9Confident66 Ų6686.9 Ų86.941%0.40544%0.439SS..Hα-helixtrans-115.4-16.5-169.364.80000113.8S220 Y221 F226S220-T224 PolarHBondContact O-N 3.26Å; S220-T224 PolarHBondContact O-OG1 3.19Å; Y221-T224 PolarHBondContact O-N 3.35Å; T224-F226 PolarHBondContact OG1-N 3.41Å; T224-F226 VanDerWaalsContact OG1-N 3.17Å; T224-F226 PolarHBondContact OG1-O 3.26Å
225G92.8Very high89.3Confident8 Ų878.3 Ų78.38%0.08241%0.41CS..SBendtrans79.1-0.7-168.800000114.2Y221 P260Y221-G225 WeakPolarHBondContact CD2-O 3.33Å; Y221-G225 WeakPolarHBondContact CE2-O 3.36Å; Y221-G225 WeakPolarHBondContact O-CA 3.2Å; Y221-G225 PolarHBondContact O-N 2.86Å; G225-P260 WeakPolarHBondContact CA-O 3.47Å
226F92.3Very high90.4Very high125 Ų12572.5 Ų72.555%0.54839%0.391SS..  trans-131.9154.4179-56.6-73.1000111.9S220 Y221 T224 P260S220-F226 CarbonylContact C-O 3.4Å; Y221-F226 WeakPolarHBondContact CA-O 3.22Å; Y221-F226 PolarHBondContact N-O 3.25Å; T224-F226 PolarHBondContact OG1-N 3.41Å; T224-F226 VanDerWaalsContact OG1-N 3.17Å; T224-F226 PolarHBondContact OG1-O 3.26Å; F226-P260 HydrophobicContact CD2-CB 4.24Å; F226-P260 HydrophobicContact CD2-CG 4.3Å; F226-P260 HydrophobicContact CE1-CB 4.14Å; F226-P260 HydrophobicContact CE2-CB 3.55Å; F226-P260 HydrophobicContact CE2-CG 3.46Å; F226-P260 VanDerWaalsContact CE2-CG 3.46Å; F226-P260 HydrophobicContact CZ-CB 3.47Å; F226-P260 VanDerWaalsContact CZ-CB 3.47Å; F226-P260 HydrophobicContact CZ-CG 3.77Å
227C93.9Very high90.7Very high18 Ų1869 Ų6912%0.12238%0.375CS..  trans-131.9126172.8-171.70000108.8V229 H236C227-V229 VanDerWaalsContact C-N 3.27Å; C227-V229 PolarHBondContact O-N 3.46Å; C227-H236 WeakPolarHBondContact CB-CE1 3.41Å; C227-H236 WeakPolarHBondContact CB-NE2 3.28Å
228S91.7Very high90.9Very high116 Ų11674.9 Ų74.981%0.81140%0.4SS*.SBendtrans-73.9-19176.755.20000113
229V90.3Very high90.7Very high81 Ų8177.4 Ų77.449%0.49141%0.414SS..  trans-85.8121.1-176.9-176.40000109.7C227 C232C227-V229 VanDerWaalsContact C-N 3.27Å; C227-V229 PolarHBondContact O-N 3.46Å; V229-C232 WeakPolarHBondContact O-CB 3.36Å; V229-C232 PolarHBondContact O-N 3.48Å
230Q85.5Confident90.7Very high143 Ų14374.3 Ų74.367%0.66840%0.397SS*.SBendtrans-132125176.5-62.4-63-13.900110.2
231P86.1Confident90.8Very high124 Ų12471.7 Ų71.781%0.80538%0.377SS*.SBendcis-73.7132-10.531.3-33000111.3
232C90.3Very high90.7Very high29 Ų2972.3 Ų72.320%0.19638%0.38CS..  trans-69.9132.1175.9-171.40000111.3V229 Y234 H236V229-C232 WeakPolarHBondContact O-CB 3.36Å; V229-C232 PolarHBondContact O-N 3.48Å; C232-Y234 VanDerWaalsContact C-N 3.27Å; C232-Y234 PolarHBondContact O-N 3.13Å; C232-H236 WeakPolarHBondContact CB-CE1 3.24Å; C232-H236 WeakPolarHBondContact CB-NE2 3.15Å; C232-H236 PolarHBondContact SG-NE2 3.39Å
233S89.7Confident90.8Very high90 Ų9072.2 Ų72.263%0.62938%0.379SS*.SBendtrans-73.2-18.5176.557.20000113.6
234Y89.6Confident90.9Very high124 Ų12467 Ų6749%0.48636%0.36SS..SBendtrans-95.9159.1179.8-62.1-66.7000111.8M216 C232M216-Y234 HydrophobicContact CB-CD1 3.83Å; M216-Y234 HydrophobicContact CB-CE1 4.11Å; M216-Y234 CarbonylContact O-C 3.52Å; M216-Y234 VanDerWaalsContact O-CA 3.3Å; M216-Y234 WeakPolarHBondContact O-CA 3.37Å; M216-Y234 VanDerWaalsContact O-CB 3.22Å; M216-Y234 WeakPolarHBondContact O-CB 3.31Å; M216-Y234 WeakPolarHBondContact O-CD1 3.33Å; C232-Y234 VanDerWaalsContact C-N 3.27Å; C232-Y234 PolarHBondContact O-N 3.13Å
235S89.6Confident90.9Very high20 Ų2065.9 Ų65.914%0.1435%0.354CS..BIsolated β-bridgetrans-77.9137.7177.966.60000112.4R215 M216 V217 C218 D237R215-S235 PolarHBondContact O-OG 3.4Å; M216-S235 PolarHBondContact O-N 2.61Å; V217-S235 WeakPolarHBondContact CA-O 3.39Å; C218-S235 PolarHBondContact N-O 3.45Å; S235-D237 WeakPolarHBondContact CB-OD2 3.41Å; S235-D237 PolarHBondContact OG-OD2 3.27Å
236H91.9Very high91Very high66 Ų6672.4 Ų72.431%0.30638%0.376SS..  trans-99.878.4171.9-66.4164.1000109.6C218 Y221 C227 C232C218-H236 WeakPolarHBondContact CB-CD2 3.36Å; Y221-H236 HydrophobicContact CD1-CB 3.84Å; Y221-H236 HydrophobicContact CD2-CB 4.11Å; Y221-H236 AromaticContact CD2-CG 3.98Å; Y221-H236 VanDerWaalsContact CE1-C 3.48Å; Y221-H236 HydrophobicContact CE1-CB 3.86Å; Y221-H236 HydrophobicContact CE2-CB 4.14Å; Y221-H236 HydrophobicContact CG-CB 3.96Å; Y221-H236 AromaticContact CG-CD2 3.67Å; Y221-H236 AromaticContact CG-CG 3.86Å; C227-H236 WeakPolarHBondContact CB-CE1 3.41Å; C227-H236 WeakPolarHBondContact CB-NE2 3.28Å; C232-H236 WeakPolarHBondContact CB-CE1 3.24Å; C232-H236 WeakPolarHBondContact CB-NE2 3.15Å; C232-H236 PolarHBondContact SG-NE2 3.39Å
237D90.1Very high91.1Very high64 Ų6469.2 Ų69.234%0.34236%0.361SS..  trans-98.1115.6-179.2-65.9-44.3000110.9S235 N239 Y240S235-D237 WeakPolarHBondContact CB-OD2 3.41Å; S235-D237 PolarHBondContact OG-OD2 3.27Å; D237-N239 PolarHBondContact O-N 3.4Å; D237-Y240 HydrophobicContact CB-CD2 3.78Å; D237-Y240 HydrophobicContact CB-CE2 4.42Å; D237-Y240 PolarHBondContact O-N 3.19Å
238E91.1Very high91Very high144 Ų14468.9 Ų68.967%0.67336%0.359SS*.G310 helixtrans-55.7-26.9178-68.7176.1-169.200113Y221 Y240 L241Y221-E238 WeakPolarHBondContact OH-CG 3.3Å; E238-Y240 PolarHBondContact O-N 3.15Å; E238-L241 HydrophobicContact CB-CD1 3.99Å; E238-L241 HydrophobicContact CG-CD1 4.15Å; E238-L241 WeakPolarHBondContact O-CB 3.18Å; E238-L241 WeakPolarHBondContact O-CG 3.5Å; E238-L241 PolarHBondContact O-N 2.55Å; E238-L241 VanDerWaalsContact O-N 3.11Å
239N89.2Confident90.9Very high59 Ų5969.4 Ų69.432%0.31635%0.348SS..G310 helixtrans-63.4-22.7178.4-78.8-60.7000113.7R32 D237 R269R32-N239 PolarHBondContact NH1-OD1 3.19Å; D237-N239 PolarHBondContact O-N 3.4Å; N239-R269 PolarHBondContact O-NE 2.96Å; N239-R269 PolarHBondContact O-NH2 3.23Å
240Y90.8Very high90.9Very high70 Ų7074 Ų7428%0.27537%0.365SS..G310 helixtrans-100.75.2178.6-68.9-96.3000112.7V217 C222 D237 E238 R242 G306 R307V217-Y240 HydrophobicContact CB-CG 4.5Å; V217-Y240 HydrophobicContact CG1-CD1 4.15Å; V217-Y240 HydrophobicContact CG1-CD2 3.75Å; V217-Y240 HydrophobicContact CG1-CE1 4.39Å; V217-Y240 HydrophobicContact CG1-CE2 4.01Å; V217-Y240 HydrophobicContact CG1-CG 3.81Å; V217-Y240 HydrophobicContact CG2-CD1 4.36Å; V217-Y240 HydrophobicContact CG2-CG 4.49Å; C222-Y240 WeakPolarHBondContact CB-O 3.17Å; C222-Y240 VanDerWaalsContact SG-CB 3.59Å; D237-Y240 HydrophobicContact CB-CD2 3.78Å; D237-Y240 HydrophobicContact CB-CE2 4.42Å; D237-Y240 PolarHBondContact O-N 3.19Å; E238-Y240 PolarHBondContact O-N 3.15Å; Y240-R242 PolarHBondContact O-N 3.23Å; Y240-G306 WeakPolarHBondContact O-CA 3.36Å; Y240-R307 HydrophobicContact CD1-CB 4Å; Y240-R307 HydrophobicContact CE1-CB 4.44Å
241L92.7Very high91.2Very high13 Ų1370.3 Ų70.37%0.06835%0.354CS..PPolyproline II helixtrans-62.3133.7172.4-69.2170.1000110.5Y221 E238 P260 A262 R269Y221-L241 HydrophobicContact CD1-CD2 4.07Å; Y221-L241 HydrophobicContact CE1-CD2 3.77Å; Y221-L241 HydrophobicContact CE1-CG 4.15Å; Y221-L241 VanDerWaalsContact O-CD2 3.23Å; Y221-L241 WeakPolarHBondContact O-CD2 3.41Å; E238-L241 HydrophobicContact CB-CD1 3.99Å; E238-L241 HydrophobicContact CG-CD1 4.15Å; E238-L241 WeakPolarHBondContact O-CB 3.18Å; E238-L241 WeakPolarHBondContact O-CG 3.5Å; E238-L241 PolarHBondContact O-N 2.55Å; E238-L241 VanDerWaalsContact O-N 3.11Å; L241-P260 WeakPolarHBondContact CD1-O 3.37Å; L241-A262 HydrophobicContact CB-CB 4.32Å; L241-R269 WeakPolarHBondContact O-CD 3.17Å
242R92.2Very high91.7Very high44 Ų4465.6 Ų65.617%0.16632%0.324CS..PPolyproline II helixtrans-63.1151.9170.6178.7178.2159.2176.6-4.6110.1C222 Y240 A262 W320C222-R242 WeakPolarHBondContact O-CB 3.25Å; C222-R242 PolarHBondContact O-N 3.42Å; Y240-R242 PolarHBondContact O-N 3.23Å; R242-A262 PolarHBondContact O-N 3.36Å; R242-W320 HydrophobicContact CG-CZ2 3.82Å; R242-W320 VanDerWaalsContact NE-CD2 3.33Å; R242-W320 VanDerWaalsContact NE-NE1 3.16Å; R242-W320 VanDerWaalsContact NH2-CG 3.3Å
243I93.4Very high91.8Very high0 Ų069.4 Ų69.40%035%0.351CS..BIsolated β-bridgetrans-66.2135172.5-59.4171.7000109.7P245 F247 L248 A262 V264 R269 L270I243-P245 VanDerWaalsContact O-CD 3.29Å; I243-P245 WeakPolarHBondContact O-CD 3.38Å; I243-F247 HydrophobicContact CG2-CD1 3.72Å; I243-F247 HydrophobicContact CG2-CE1 4.28Å; I243-L248 HydrophobicContact CB-CG 4.48Å; I243-L248 HydrophobicContact CG2-CD1 4.18Å; I243-L248 HydrophobicContact CG2-CD2 3.68Å; I243-L248 HydrophobicContact CG2-CG 3.64Å; I243-A262 VanDerWaalsContact CA-O 3.32Å; I243-A262 WeakPolarHBondContact CA-O 3.38Å; I243-A262 WeakPolarHBondContact CG2-O 3.36Å; I243-V264 WeakPolarHBondContact CD1-O 3.41Å; I243-V264 WeakPolarHBondContact CG1-O 3.19Å; I243-R269 HydrophobicContact CD1-CB 3.73Å; I243-R269 HydrophobicContact CG1-CB 3.68Å; I243-L270 HydrophobicContact CD1-CB 4.38Å; I243-L270 HydrophobicContact CD1-CD2 3.46Å; I243-L270 VanDerWaalsContact CD1-CD2 3.46Å; I243-L270 HydrophobicContact CD1-CG 3.6Å
244C94.1Very high92Very high4 Ų469.1 Ų69.13%0.02734%0.342CS..PPolyproline II helixtrans-56.8120.1175.6177.50000110.3R246 F247 L248 C259 L261 A262C244-R246 VanDerWaalsContact C-N 3.26Å; C244-R246 PolarHBondContact O-N 2.88Å; C244-F247 HydrophobicContact CB-CB 3.61Å; C244-F247 WeakPolarHBondContact O-CB 3.47Å; C244-F247 PolarHBondContact O-N 3.03Å; C244-F247 VanDerWaalsContact O-N 3.12Å; C244-F247 PolarHBondContact SG-N 3.17Å; C244-F247 VanDerWaalsContact SG-N 3.45Å; C244-L248 PolarHBondContact O-N 2.99Å; C244-C259 VanDerWaalsContact SG-SG 3.62Å; C244-L261 HydrophobicContact CB-CB 3.69Å; C244-L261 HydrophobicContact CB-CD1 4.27Å; C244-A262 PolarHBondContact N-O 3.37Å
245P92.4Very high91.9Very high42 Ų4264.7 Ų64.727%0.27333%0.334SS..Hα-helixtrans-60.4-36178.3-2535000112.8I243 L248 Q249 W320I243-P245 VanDerWaalsContact O-CD 3.29Å; I243-P245 WeakPolarHBondContact O-CD 3.38Å; P245-L248 PolarHBondContact O-N 3.33Å; P245-Q249 WeakPolarHBondContact O-CG 3.33Å; P245-Q249 PolarHBondContact O-N 3.45Å; P245-W320 HydrophobicContact CB-CH2 4.23Å; P245-W320 HydrophobicContact CB-CZ3 4.17Å; P245-W320 HydrophobicContact CG-CH2 3.99Å; P245-W320 HydrophobicContact CG-CZ3 4.12Å
246R93.9Very high91.9Very high145 Ų14567.9 Ų67.955%0.54736%0.356SS..Hα-helixtrans-66.3-38.4174.9-61.2-178179.9173.2-2111.5C244 Q249 Q250 S251 C252C244-R246 VanDerWaalsContact C-N 3.26Å; C244-R246 PolarHBondContact O-N 2.88Å; R246-Q249 CarbonylContact O-C 3.58Å; R246-Q249 PolarHBondContact O-N 3.11Å; R246-Q249 VanDerWaalsContact O-N 3.16Å; R246-Q250 PolarHBondContact O-N 2.78Å; R246-S251 PolarHBondContact O-N 3.04Å; R246-S251 PolarHBondContact O-OG 2.81Å; R246-C252 HydrophobicContact CB-CB 3.81Å
247F94.2Very high91.7Very high57 Ų5774.3 Ų74.325%0.2538%0.383CS..Hα-helixtrans-63.3-41.3174.2169.6-105.9000111.9I243 C244 Q249 Q250 C252 H263 L265I243-F247 HydrophobicContact CG2-CD1 3.72Å; I243-F247 HydrophobicContact CG2-CE1 4.28Å; C244-F247 HydrophobicContact CB-CB 3.61Å; C244-F247 WeakPolarHBondContact O-CB 3.47Å; C244-F247 PolarHBondContact O-N 3.03Å; C244-F247 VanDerWaalsContact O-N 3.12Å; C244-F247 PolarHBondContact SG-N 3.17Å; C244-F247 VanDerWaalsContact SG-N 3.45Å; F247-Q249 PolarHBondContact O-N 3.2Å; F247-Q250 PolarHBondContact O-N 3.25Å; F247-C252 HydrophobicContact CB-CB 4.32Å; F247-H263 HydrophobicContact CD1-CB 4.46Å; F247-H263 HydrophobicContact CD2-CB 4.03Å; F247-H263 AromaticContact CD2-CG 3.79Å; F247-H263 AromaticContact CD2-ND1 3.67Å; F247-H263 HydrophobicContact CE2-CB 4.13Å; F247-H263 HydrophobicContact CG-CB 4.2Å; F247-H263 AromaticContact CG-CG 3.89Å; F247-H263 HydrophobicContact CZ-CB 4.38Å; F247-L265 HydrophobicContact CE1-CD2 3.85Å; F247-L265 HydrophobicContact CE1-CG 4.12Å; F247-L265 HydrophobicContact CZ-CD2 4.45Å; F247-L265 HydrophobicContact CZ-CG 4.32Å
248L91.9Very high91.8Very high12 Ų1273.5 Ų73.56%0.06338%0.383CS..Hα-helixtrans-62.5-26.8174.6-70.9-178.3000113.3I243 C244 P245 L265 L270 P271 Y288 W320I243-L248 HydrophobicContact CB-CG 4.48Å; I243-L248 HydrophobicContact CG2-CD1 4.18Å; I243-L248 HydrophobicContact CG2-CD2 3.68Å; I243-L248 HydrophobicContact CG2-CG 3.64Å; C244-L248 PolarHBondContact O-N 2.99Å; P245-L248 PolarHBondContact O-N 3.33Å; L248-L265 HydrophobicContact CD2-CD2 3.71Å; L248-L270 HydrophobicContact CD1-CD2 4.47Å; L248-L270 HydrophobicContact CD2-CD2 3.61Å; L248-P271 HydrophobicContact CD1-CG 4.17Å; L248-Y288 HydrophobicContact CD1-CE1 4.12Å; L248-W320 HydrophobicContact CD1-CH2 3.48Å; L248-W320 VanDerWaalsContact CD1-CH2 3.48Å; L248-W320 HydrophobicContact CD1-CZ2 4.09Å; L248-W320 HydrophobicContact CD1-CZ3 4.26Å
249Q90.4Very high91.9Very high127 Ų12767.4 Ų67.459%0.59336%0.356SS*.THydrogen-bonded Turntrans-93.43.4176-66.7171.5-12.400112.7P245 R246 F247 S251P245-Q249 WeakPolarHBondContact O-CG 3.33Å; P245-Q249 PolarHBondContact O-N 3.45Å; R246-Q249 CarbonylContact O-C 3.58Å; R246-Q249 PolarHBondContact O-N 3.11Å; R246-Q249 VanDerWaalsContact O-N 3.16Å; F247-Q249 PolarHBondContact O-N 3.2Å; Q249-S251 PolarHBondContact O-N 3.44Å
250Q89.5Confident92.1Very high178 Ų17866.4 Ų66.483%0.83235%0.353SS*.THydrogen-bonded Turntrans58.825.4-176.2-55.5174.7-6.300114.3R246 F247R246-Q250 PolarHBondContact O-N 2.78Å; F247-Q250 PolarHBondContact O-N 3.25Å
251S93.1Very high92.3Very high65 Ų6564.3 Ų64.346%0.45535%0.346SS..  trans-116.419.2-175.462.70000113.8R246 Q249 S253R246-S251 PolarHBondContact O-N 3.04Å; R246-S251 PolarHBondContact O-OG 2.81Å; Q249-S251 PolarHBondContact O-N 3.44Å; S251-S253 PolarHBondContact O-N 3.06Å
252C94.8Very high92.3Very high25 Ų2564.2 Ų64.217%0.16935%0.347CS..  trans-87.9104.2-178-165.80000112.1R246 F247 L254 H263R246-C252 HydrophobicContact CB-CB 3.81Å; F247-C252 HydrophobicContact CB-CB 4.32Å; C252-L254 VanDerWaalsContact C-N 3.29Å; C252-L254 PolarHBondContact O-N 2.06Å; C252-H263 PolarHBondContact SG-CE1 2.87Å; C252-H263 PolarHBondContact SG-NE2 2.87Å
253S93.6Very high92.4Very high109 Ų10963.7 Ų63.776%0.76235%0.347SS*.THydrogen-bonded Turntrans-69.6-18.8177.854.80000115.3S251S251-S253 PolarHBondContact O-N 3.06Å
254L92.5Very high92.3Very high84 Ų8467.1 Ų67.144%0.4437%0.367SS..THydrogen-bonded Turntrans-77.1-20.9-176.5-69-179.1000113.1C252 S258 C259C252-L254 VanDerWaalsContact C-N 3.29Å; C252-L254 PolarHBondContact O-N 2.06Å; L254-S258 VanDerWaalsContact C-OG 3.28Å; L254-S258 WeakPolarHBondContact CA-OG 3.46Å; L254-S258 VanDerWaalsContact CB-OG 3.24Å; L254-S258 WeakPolarHBondContact CB-OG 3.44Å; L254-S258 PolarHBondContact O-OG 3.46Å; L254-C259 HydrophobicContact CB-CB 4.02Å
255G89Confident92.1Very high31 Ų3171.4 Ų71.432%0.3239%0.39SS..Hα-helixtrans64.8178.5-172.100000113.7K257 C259 H263G255-K257 VanDerWaalsContact C-N 3.35Å; G255-K257 PolarHBondContact O-N 2.83Å; G255-C259 WeakPolarHBondContact O-CB 3.39Å; G255-C259 PolarHBondContact O-N 3.17Å; G255-C259 VanDerWaalsContact O-N 3.15Å; G255-H263 PolarHBondContact O-CE1 2.98Å; G255-H263 VanDerWaalsContact O-CE1 3.23Å
256S88.6Confident92Very high87 Ų8769.5 Ų69.561%0.60838%0.377SS*.Hα-helixtrans-70.8-25.9-171.958.90000114.6H263S256-H263 WeakPolarHBondContact CA-ND1 3.3Å; S256-H263 PolarHBondContact N-ND1 3.49Å
257K88Confident91.9Very high200 Ų20064.4 Ų64.487%0.8736%0.363SS*.Hα-helixtrans-85.7-30.7-175.9-65.7179.3-177.8171.60113.3G255G255-K257 VanDerWaalsContact C-N 3.35Å; G255-K257 PolarHBondContact O-N 2.83Å
258S92.5Very high91.8Very high48 Ų4861.7 Ų61.734%0.33635%0.351SS..Hα-helixtrans-106.1-18.3-176.885.90000113.7L254L254-S258 VanDerWaalsContact C-OG 3.28Å; L254-S258 WeakPolarHBondContact CA-OG 3.46Å; L254-S258 VanDerWaalsContact CB-OG 3.24Å; L254-S258 WeakPolarHBondContact CB-OG 3.44Å; L254-S258 PolarHBondContact O-OG 3.46Å
259C93.9Very high91.8Very high16 Ų1661.8 Ų61.811%0.10835%0.35CS..  trans-69.8129.6173.2-167.40000110.5C244 L254 G255 L261 H263C244-C259 VanDerWaalsContact SG-SG 3.62Å; L254-C259 HydrophobicContact CB-CB 4.02Å; G255-C259 WeakPolarHBondContact O-CB 3.39Å; G255-C259 PolarHBondContact O-N 3.17Å; G255-C259 VanDerWaalsContact O-N 3.15Å; C259-L261 PolarHBondContact O-N 3.07Å; C259-H263 WeakPolarHBondContact CB-NE2 3.41Å; C259-H263 PolarHBondContact SG-NE2 3.31Å
260P93.4Very high92Very high38 Ų3855.9 Ų55.925%0.24732%0.323CS..SBendtrans-75.1-2.2179.936.1-42.5000112.9G225 F226 L241G225-P260 WeakPolarHBondContact CA-O 3.47Å; F226-P260 HydrophobicContact CD2-CB 4.24Å; F226-P260 HydrophobicContact CD2-CG 4.3Å; F226-P260 HydrophobicContact CE1-CB 4.14Å; F226-P260 HydrophobicContact CE2-CB 3.55Å; F226-P260 HydrophobicContact CE2-CG 3.46Å; F226-P260 VanDerWaalsContact CE2-CG 3.46Å; F226-P260 HydrophobicContact CZ-CB 3.47Å; F226-P260 VanDerWaalsContact CZ-CB 3.47Å; F226-P260 HydrophobicContact CZ-CG 3.77Å; L241-P260 WeakPolarHBondContact CD1-O 3.37Å
261L94Very high92.2Very high25 Ų2547.7 Ų47.713%0.13129%0.285CS..SBendtrans-111.6162.8-178.9-67.3179000110.8C244 C259 H263C244-L261 HydrophobicContact CB-CB 3.69Å; C244-L261 HydrophobicContact CB-CD1 4.27Å; C259-L261 PolarHBondContact O-N 3.07Å; L261-H263 PolarHBondContact O-N 2.89Å
262A93.1Very high92.2Very high12 Ų1245 Ų4510%0.09927%0.265CS..BIsolated β-bridgetrans-71.8126.9-176.100000112.2L241 R242 I243 C244L241-A262 HydrophobicContact CB-CB 4.32Å; R242-A262 PolarHBondContact O-N 3.36Å; I243-A262 VanDerWaalsContact CA-O 3.32Å; I243-A262 WeakPolarHBondContact CA-O 3.38Å; I243-A262 WeakPolarHBondContact CG2-O 3.36Å; C244-A262 PolarHBondContact N-O 3.37Å
263H93.3Very high92.2Very high33 Ų3344 Ų4415%0.15326%0.258CS..  trans-99.764169-78.2-147000110.1F247 C252 G255 S256 C259 L261F247-H263 HydrophobicContact CD1-CB 4.46Å; F247-H263 HydrophobicContact CD2-CB 4.03Å; F247-H263 AromaticContact CD2-CG 3.79Å; F247-H263 AromaticContact CD2-ND1 3.67Å; F247-H263 HydrophobicContact CE2-CB 4.13Å; F247-H263 HydrophobicContact CG-CB 4.2Å; F247-H263 AromaticContact CG-CG 3.89Å; F247-H263 HydrophobicContact CZ-CB 4.38Å; C252-H263 PolarHBondContact SG-CE1 2.87Å; C252-H263 PolarHBondContact SG-NE2 2.87Å; G255-H263 PolarHBondContact O-CE1 2.98Å; G255-H263 VanDerWaalsContact O-CE1 3.23Å; S256-H263 WeakPolarHBondContact CA-ND1 3.3Å; S256-H263 PolarHBondContact N-ND1 3.49Å; C259-H263 WeakPolarHBondContact CB-NE2 3.41Å; C259-H263 PolarHBondContact SG-NE2 3.31Å; L261-H263 PolarHBondContact O-N 2.89Å
264V91.1Very high92.1Very high71 Ų7143 Ų4343%0.4325%0.248SC..  trans-144.3132.1-179.3-177.10000109.5I243 D266I243-V264 WeakPolarHBondContact CD1-O 3.41Å; I243-V264 WeakPolarHBondContact CG1-O 3.19Å; V264-D266 VanDerWaalsContact C-N 3.26Å; V264-D266 HydrophobicContact CG1-CB 4.18Å; V264-D266 PolarHBondContact O-N 3.22Å
265L91.3Very high92.2Very high95 Ų9545.9 Ų45.950%0.49725%0.254SS..  trans-82.667172.6-61.2178.2000111F247 L248 L270 P287F247-L265 HydrophobicContact CE1-CD2 3.85Å; F247-L265 HydrophobicContact CE1-CG 4.12Å; F247-L265 HydrophobicContact CZ-CD2 4.45Å; F247-L265 HydrophobicContact CZ-CG 4.32Å; L248-L265 HydrophobicContact CD2-CD2 3.71Å; L265-L270 HydrophobicContact CD2-CD2 4.33Å; L265-P287 HydrophobicContact CD2-CB 4.17Å
266D90.7Very high92.5Very high2 Ų247.8 Ų47.81%0.01125%0.252CS..  trans-91.5119.7176.3-172.111000110.1V264 C268 R269 L270 R307V264-D266 VanDerWaalsContact C-N 3.26Å; V264-D266 HydrophobicContact CG1-CB 4.18Å; V264-D266 PolarHBondContact O-N 3.22Å; D266-C268 PolarHBondContact O-N 3.47Å; D266-C268 PolarHBondContact OD1-N 2.89Å; D266-C268 PolarHBondContact OD1-SG 3.43Å; D266-R269 HydrophobicContact CB-CG 4.39Å; D266-R269 PolarHBondContact O-N 3.28Å; D266-L270 WeakPolarHBondContact O-CG 3.47Å; D266-L270 PolarHBondContact O-N 2.73Å; D266-L270 VanDerWaalsContact O-N 3.13Å; D266-R307 IonicContact OD2-NE 3.79Å; D266-R307 IonicContact OD2-NH2 3.64Å
267P91.4Very high92.6Very high37 Ų3746.1 Ų46.124%0.2424%0.235CC..THydrogen-bonded Turntrans-55.5-23.8178.321.7-34.7000113.8R269 L289 G311 R312P267-R269 PolarHBondContact O-N 3.45Å; P267-L289 HydrophobicContact CB-CD2 4.09Å; P267-G311 WeakPolarHBondContact O-CA 3.46Å; P267-R312 HydrophobicContact CB-CG 3.97Å
268C91.8Very high92.8Very high1 Ų139.4 Ų39.41%0.00721%0.213CC..THydrogen-bonded Turntrans-74.4-13.9179.4-35.60000112.2C29 D266 R307 C308C29-C268 HydrophobicContact CB-CB 4.03Å; C29-C268 WeakPolarHBondContact CB-SG 3.34Å; C29-C268 WeakPolarHBondContact SG-CB 2.92Å; C29-C268 CovalentContact SG-SG 2.06Å; C29-C268 PolarHBondContact SG-SG 3.37Å; D266-C268 PolarHBondContact O-N 3.47Å; D266-C268 PolarHBondContact OD1-N 2.89Å; D266-C268 PolarHBondContact OD1-SG 3.43Å; C268-R307 HydrophobicContact CB-CG 4.14Å; C268-R307 CarbonylContact O-C 3.59Å; C268-R307 WeakPolarHBondContact O-CA 3.32Å; C268-C308 WeakPolarHBondContact CA-O 3.47Å; C268-C308 WeakPolarHBondContact CB-O 3.17Å; C268-C308 PolarHBondContact O-N 2.96Å
269R92.1Very high92.8Very high13 Ų1343.6 Ų43.65%0.04923%0.227CC..THydrogen-bonded Turntrans-120.1-7.2178.4-58.6176-179.9160-3.1113.6N239 L241 I243 D266 P267 F303 R307N239-R269 PolarHBondContact O-NE 2.96Å; N239-R269 PolarHBondContact O-NH2 3.23Å; L241-R269 WeakPolarHBondContact O-CD 3.17Å; I243-R269 HydrophobicContact CD1-CB 3.73Å; I243-R269 HydrophobicContact CG1-CB 3.68Å; D266-R269 HydrophobicContact CB-CG 4.39Å; D266-R269 PolarHBondContact O-N 3.28Å; P267-R269 PolarHBondContact O-N 3.45Å; R269-F303 WeakPolarHBondContact O-CE2 3.4Å; R269-R307 HydrophobicContact CG-CB 4.4Å; R269-R307 HydrophobicContact CG-CG 4.15Å
270L93.5Very high92.8Very high4 Ų450 Ų502%0.02125%0.253CS..PPolyproline II helixtrans-77.6134.8-177.3-79.6167.5000111.7I243 L248 L265 D266 P287 L289 F303 H318I243-L270 HydrophobicContact CD1-CB 4.38Å; I243-L270 HydrophobicContact CD1-CD2 3.46Å; I243-L270 VanDerWaalsContact CD1-CD2 3.46Å; I243-L270 HydrophobicContact CD1-CG 3.6Å; L248-L270 HydrophobicContact CD1-CD2 4.47Å; L248-L270 HydrophobicContact CD2-CD2 3.61Å; L265-L270 HydrophobicContact CD2-CD2 4.33Å; D266-L270 WeakPolarHBondContact O-CG 3.47Å; D266-L270 PolarHBondContact O-N 2.73Å; D266-L270 VanDerWaalsContact O-N 3.13Å; L270-P287 WeakPolarHBondContact CD1-O 3.06Å; L270-P287 VanDerWaalsContact CD2-O 3.3Å; L270-P287 WeakPolarHBondContact CD2-O 3.42Å; L270-L289 HydrophobicContact CB-CD1 4.39Å; L270-L289 HydrophobicContact CB-CD2 3.9Å; L270-L289 HydrophobicContact CB-CG 3.85Å; L270-L289 HydrophobicContact CD1-CD2 4.37Å; L270-L289 WeakPolarHBondContact O-CD1 3.45Å; L270-F303 VanDerWaalsContact O-CE2 3.28Å; L270-F303 WeakPolarHBondContact O-CE2 3.1Å; L270-H318 PolarHBondContact O-ND1 3.44Å
271P94.4Very high92.9Very high6 Ų649.8 Ų49.84%0.03925%0.252CS..PPolyproline II helixtrans-71.4160.1169.126-28000112L248 Y288 L289 F303 H318 W320L248-P271 HydrophobicContact CD1-CG 4.17Å; P271-Y288 HydrophobicContact CB-CD1 4.45Å; P271-Y288 HydrophobicContact CG-CD1 3.73Å; P271-Y288 HydrophobicContact CG-CE1 3.76Å; P271-L289 PolarHBondContact O-N 3.26Å; P271-F303 HydrophobicContact CB-CZ 3.85Å; P271-H318 CarbonylContact C-O 3.44Å; P271-H318 VanDerWaalsContact CA-O 3.3Å; P271-H318 WeakPolarHBondContact CA-O 3.45Å; P271-W320 HydrophobicContact CB-CD2 4.06Å; P271-W320 HydrophobicContact CB-CE3 4.42Å; P271-W320 HydrophobicContact CG-CD2 3.95Å; P271-W320 HydrophobicContact CG-CE3 4.04Å; P271-W320 HydrophobicContact CG-CH2 3.91Å; P271-W320 HydrophobicContact CG-CZ2 3.68Å; P271-W320 HydrophobicContact CG-CZ3 4.05Å
272Q93.6Very high92.9Very high8 Ų857.4 Ų57.44%0.03729%0.287CS..BIsolated β-bridgetrans-66.3144.5171.1-178177.6-20.100111.2T274 E277 V291 H293 H318Q272-T274 PolarHBondContact O-N 3.06Å; Q272-E277 PolarHBondContact NE2-OE1 2.96Å; Q272-E277 VanDerWaalsContact NE2-OE1 3.13Å; Q272-E277 PolarHBondContact NE2-OE2 3.3Å; Q272-V291 HydrophobicContact CB-CG2 4.31Å; Q272-V291 HydrophobicContact CG-CG2 3.76Å; Q272-V291 PolarHBondContact NE2-O 3.08Å; Q272-H293 PolarHBondContact OE1-CD2 2.94Å; Q272-H318 PolarHBondContact N-O 2.82Å
273C94.4Very high92.9Very high3 Ų364.5 Ų64.52%0.0231%0.311CS..  trans-76.6111.1173.5-176.10000109.5Y275 Y276 E277 Y288 L289C273-Y275 VanDerWaalsContact C-N 3.27Å; C273-Y275 PolarHBondContact O-N 3.21Å; C273-Y276 PolarHBondContact O-N 3Å; C273-Y276 PolarHBondContact SG-N 3.03Å; C273-E277 PolarHBondContact O-N 3.02Å; C273-Y288 HydrophobicContact CB-CG 4.44Å; C273-L289 PolarHBondContact N-O 3.18Å
274T92.3Very high92.7Very high90 Ų9069.1 Ų69.155%0.55234%0.341SS*.Hα-helixtrans-63.2-34.2177.752.80000112.1Q272 E277 S278Q272-T274 PolarHBondContact O-N 3.06Å; T274-E277 PolarHBondContact O-N 3.24Å; T274-S278 PolarHBondContact O-N 2.86Å; T274-S278 VanDerWaalsContact O-N 3.12Å; T274-S278 PolarHBondContact O-OG 3.29Å
275Y94.3Very high92.6Very high144 Ų14473.2 Ų73.257%0.56536%0.356SS*.Hα-helixtrans-69.2-38176.1-63.4-79.9000112.1C273 S278 E279 K280 C281C273-Y275 VanDerWaalsContact C-N 3.27Å; C273-Y275 PolarHBondContact O-N 3.21Å; Y275-S278 CarbonylContact O-C 3.35Å; Y275-S278 PolarHBondContact O-N 3.38Å; Y275-S278 PolarHBondContact O-OG 2.89Å; Y275-S278 VanDerWaalsContact O-OG 3.09Å; Y275-E279 PolarHBondContact O-N 3.06Å; Y275-K280 PolarHBondContact O-N 3.3Å; Y275-C281 PolarHBondContact O-N 2.85Å
276Y94.3Very high92.6Very high70 Ų7069.5 Ų69.528%0.27534%0.338SS..Hα-helixtrans-71.5-35.6177.1-178.3-97.4000111.6C273 S278 E279 H290 R292C273-Y276 PolarHBondContact O-N 3Å; C273-Y276 PolarHBondContact SG-N 3.03Å; Y276-S278 VanDerWaalsContact C-N 3.25Å; Y276-S278 PolarHBondContact O-N 2.86Å; Y276-E279 PolarHBondContact O-N 3.28Å; Y276-E279 VanDerWaalsContact O-N 3.14Å; Y276-H290 VanDerWaalsContact CD1-C 3.42Å; Y276-H290 HydrophobicContact CD1-CB 3.7Å; Y276-H290 HydrophobicContact CD2-CB 3.77Å; Y276-H290 AromaticContact CD2-CD2 3.83Å; Y276-H290 AromaticContact CD2-CE1 3.96Å; Y276-H290 AromaticContact CD2-CG 3.47Å; Y276-H290 VanDerWaalsContact CD2-CG 3.47Å; Y276-H290 AromaticContact CD2-ND1 3.57Å; Y276-H290 HydrophobicContact CE1-CB 3.71Å; Y276-H290 HydrophobicContact CE2-CB 3.82Å; Y276-H290 AromaticContact CE2-CG 3.91Å; Y276-H290 AromaticContact CE2-ND1 3.9Å; Y276-H290 HydrophobicContact CG-CB 3.71Å; Y276-H290 AromaticContact CG-CD2 3.63Å; Y276-H290 AromaticContact CG-CG 3.58Å; Y276-R292 HydrophobicContact CD1-CG 4.17Å; Y276-R292 HydrophobicContact CE1-CG 3.8Å; Y276-R292 PolarHBondContact O-NE 3.24Å
277E91.7Very high92.6Very high53 Ų5371.1 Ų71.125%0.24835%0.348CS..Hα-helixtrans-59.8-36.5171.6-171.7171.4-149.900111.6Q272 C273 T274Q272-E277 PolarHBondContact NE2-OE1 2.96Å; Q272-E277 VanDerWaalsContact NE2-OE1 3.13Å; Q272-E277 PolarHBondContact NE2-OE2 3.3Å; C273-E277 PolarHBondContact O-N 3.02Å; T274-E277 PolarHBondContact O-N 3.24Å
278S91.6Very high92.7Very high58 Ų5871.8 Ų71.841%0.40635%0.346SS..THydrogen-bonded Turntrans-92.510.1174.870.50000114.9T274 Y275 Y276 K280T274-S278 PolarHBondContact O-N 2.86Å; T274-S278 VanDerWaalsContact O-N 3.12Å; T274-S278 PolarHBondContact O-OG 3.29Å; Y275-S278 CarbonylContact O-C 3.35Å; Y275-S278 PolarHBondContact O-N 3.38Å; Y275-S278 PolarHBondContact O-OG 2.89Å; Y275-S278 VanDerWaalsContact O-OG 3.09Å; Y276-S278 VanDerWaalsContact C-N 3.25Å; Y276-S278 PolarHBondContact O-N 2.86Å; S278-K280 VanDerWaalsContact C-N 3.31Å; S278-K280 WeakPolarHBondContact O-CG 3.05Å; S278-K280 PolarHBondContact O-N 3.31Å
279E92.1Very high92.8Very high137 Ų13771.8 Ų71.864%0.6435%0.346SS*.THydrogen-bonded Turntrans62.823.2-179.9-35.4-160.9153.600116.6Y275 Y276 R292Y275-E279 PolarHBondContact O-N 3.06Å; Y276-E279 PolarHBondContact O-N 3.28Å; Y276-E279 VanDerWaalsContact O-N 3.14Å; E279-R292 VanDerWaalsContact CG-NH2 3.31Å; E279-R292 IonicContact OE1-CZ 2.61Å; E279-R292 IonicContact OE1-NE 3.93Å; E279-R292 IonicContact OE1-NH1 3.72Å; E279-R292 PolarHBondContact OE1-NH1 2.72Å; E279-R292 IonicContact OE1-NH2 3.95Å
280K94.8Very high92.9Very high151 Ų15174.1 Ų74.166%0.65736%0.357SS*.  trans-112.511.9-176.5-64.3174.4-174.6-175.20114.3Y275 S278 E282Y275-K280 PolarHBondContact O-N 3.3Å; S278-K280 VanDerWaalsContact C-N 3.31Å; S278-K280 WeakPolarHBondContact O-CG 3.05Å; S278-K280 PolarHBondContact O-N 3.31Å; K280-E282 PolarHBondContact O-N 2.87Å
281C95.2Very high92.8Very high33 Ų3375 Ų7522%0.22336%0.363CS..  trans-87.3109.9-178.2-168.70000110.6Y275 H290Y275-C281 PolarHBondContact O-N 2.85Å; C281-H290 PolarHBondContact SG-NE2 3.45Å
282E94.4Very high92.6Very high184 Ų18480.8 Ų80.886%0.8638%0.384SS*.  trans-96.1-4178.4-65.6170.1-169.100113.1K280 V284K280-E282 PolarHBondContact O-N 2.87Å; E282-V284 PolarHBondContact O-N 3.36Å
283R92.1Very high92.5Very high162 Ų16282.1 Ų82.161%0.61139%0.39SS*.  trans-75.3117.6-176.3-65.3-177.3-174.41720.1111.6H285 C286R283-H285 VanDerWaalsContact C-N 3.33Å; R283-H285 PolarHBondContact O-N 2.83Å; R283-C286 HydrophobicContact CB-CB 4.19Å
284V89.6Confident92.3Very high129 Ų12986 Ų8678%0.78242%0.415SS*.THydrogen-bonded Turntrans-56.6-44.4175.8-176.80000111.9E282E282-V284 PolarHBondContact O-N 3.36Å
285H88.2Confident92Very high158 Ų15887.6 Ų87.673%0.73143%0.427SS*.THydrogen-bonded Turntrans-115.160.4-179.2-61-51.4000112.1R283R283-H285 VanDerWaalsContact C-N 3.33Å; R283-H285 PolarHBondContact O-N 2.83Å
286C91.6Very high91.7Very high17 Ų1790.4 Ų90.412%0.11544%0.442CS..  trans-67.9125.8176.9-170.10000111.6R283 Y288 H290R283-C286 HydrophobicContact CB-CB 4.19Å; C286-Y288 PolarHBondContact O-N 3.12Å; C286-H290 WeakPolarHBondContact CB-NE2 3.4Å; C286-H290 PolarHBondContact SG-NE2 3.43Å; C286-H290 VanDerWaalsContact SG-NE2 3.37Å
287P91.4Very high91.6Very high36 Ų3688 Ų8823%0.23444%0.435CS..SBendtrans-72-19.117928.5-34.4000112.6L265 L270L265-P287 HydrophobicContact CD2-CB 4.17Å; L270-P287 WeakPolarHBondContact CD1-O 3.06Å; L270-P287 VanDerWaalsContact CD2-O 3.3Å; L270-P287 WeakPolarHBondContact CD2-O 3.42Å
288Y93.8Very high91.7Very high51 Ų5188.6 Ų88.620%0.245%0.449CS..SBendtrans-78.9160.9-179.6-64.3-91.3000112L248 P271 C273 C286 H290L248-Y288 HydrophobicContact CD1-CE1 4.12Å; P271-Y288 HydrophobicContact CB-CD1 4.45Å; P271-Y288 HydrophobicContact CG-CD1 3.73Å; P271-Y288 HydrophobicContact CG-CE1 3.76Å; C273-Y288 HydrophobicContact CB-CG 4.44Å; C286-Y288 PolarHBondContact O-N 3.12Å; Y288-H290 PolarHBondContact O-N 3.44Å
289L93.1Very high91.8Very high1 Ų188.2 Ų88.21%0.00544%0.442CS..BIsolated β-bridgetrans-73.7116.6178.1-54.6177.2000110.7P267 L270 P271 C273 V291 R312 H318P267-L289 HydrophobicContact CB-CD2 4.09Å; L270-L289 HydrophobicContact CB-CD1 4.39Å; L270-L289 HydrophobicContact CB-CD2 3.9Å; L270-L289 HydrophobicContact CB-CG 3.85Å; L270-L289 HydrophobicContact CD1-CD2 4.37Å; L270-L289 WeakPolarHBondContact O-CD1 3.45Å; P271-L289 PolarHBondContact O-N 3.26Å; C273-L289 PolarHBondContact N-O 3.18Å; L289-V291 VanDerWaalsContact C-N 3.33Å; L289-V291 HydrophobicContact CB-CG1 4.45Å; L289-V291 HydrophobicContact CB-CG2 4.19Å; L289-V291 PolarHBondContact O-N 2.92Å; L289-V291 VanDerWaalsContact O-N 3.11Å; L289-R312 HydrophobicContact CD2-CG 3.56Å; L289-H318 HydrophobicContact CD1-CB 4.37Å; L289-H318 WeakPolarHBondContact CD1-ND1 3.47Å
290H93.8Very high92Very high61 Ų6181.8 Ų81.828%0.28241%0.412SS..  trans-79.781.7167.8-74.9-171.7000109.7Y276 C281 C286 Y288Y276-H290 VanDerWaalsContact CD1-C 3.42Å; Y276-H290 HydrophobicContact CD1-CB 3.7Å; Y276-H290 HydrophobicContact CD2-CB 3.77Å; Y276-H290 AromaticContact CD2-CD2 3.83Å; Y276-H290 AromaticContact CD2-CE1 3.96Å; Y276-H290 AromaticContact CD2-CG 3.47Å; Y276-H290 VanDerWaalsContact CD2-CG 3.47Å; Y276-H290 AromaticContact CD2-ND1 3.57Å; Y276-H290 HydrophobicContact CE1-CB 3.71Å; Y276-H290 HydrophobicContact CE2-CB 3.82Å; Y276-H290 AromaticContact CE2-CG 3.91Å; Y276-H290 AromaticContact CE2-ND1 3.9Å; Y276-H290 HydrophobicContact CG-CB 3.71Å; Y276-H290 AromaticContact CG-CD2 3.63Å; Y276-H290 AromaticContact CG-CG 3.58Å; C281-H290 PolarHBondContact SG-NE2 3.45Å; C286-H290 WeakPolarHBondContact CB-NE2 3.4Å; C286-H290 PolarHBondContact SG-NE2 3.43Å; C286-H290 VanDerWaalsContact SG-NE2 3.37Å; Y288-H290 PolarHBondContact O-N 3.44Å
291V91.8Very high91.8Very high24 Ų2477.2 Ų77.215%0.14540%0.399CS..  trans-130.3142.4174.9-64.60000109.1Q272 L289Q272-V291 HydrophobicContact CB-CG2 4.31Å; Q272-V291 HydrophobicContact CG-CG2 3.76Å; Q272-V291 PolarHBondContact NE2-O 3.08Å; L289-V291 VanDerWaalsContact C-N 3.33Å; L289-V291 HydrophobicContact CB-CG1 4.45Å; L289-V291 HydrophobicContact CB-CG2 4.19Å; L289-V291 PolarHBondContact O-N 2.92Å; L289-V291 VanDerWaalsContact O-N 3.11Å
292R91Very high91.6Very high127 Ų12777.4 Ų77.448%0.47940%0.398SS..  trans-111.8135172.6-70-174.8-174.7164.58109.1Y276 E279Y276-R292 HydrophobicContact CD1-CG 4.17Å; Y276-R292 HydrophobicContact CE1-CG 3.8Å; Y276-R292 PolarHBondContact O-NE 3.24Å; E279-R292 VanDerWaalsContact CG-NH2 3.31Å; E279-R292 IonicContact OE1-CZ 2.61Å; E279-R292 IonicContact OE1-NE 3.93Å; E279-R292 IonicContact OE1-NH1 3.72Å; E279-R292 PolarHBondContact OE1-NH1 2.72Å; E279-R292 IonicContact OE1-NH2 3.95Å
293H90.9Very high91.6Very high35 Ų3569 Ų6916%0.16236%0.358CS..  trans-126.1152176.1-66.7-53.4000109.2Q272 T297 C314 R317Q272-H293 PolarHBondContact OE1-CD2 2.94Å; H293-T297 HydrophobicContact CB-CG2 4.14Å; H293-C314 PolarHBondContact CE1-O 3.4Å; H293-R317 HydrophobicContact CB-CG 4.03Å
294P90.7Very high91.5Very high84 Ų8464.6 Ų64.655%0.54535%0.353SS..  trans-61.4152.4173.820.2-26.3000111.1K296 T297P294-K296 PolarHBondContact O-N 3.48Å; P294-T297 WeakPolarHBondContact CD-OG1 3.5Å; P294-T297 WeakPolarHBondContact CG-OG1 3.38Å; P294-T297 WeakPolarHBondContact O-CB 3.49Å; P294-T297 PolarHBondContact O-N 3.4Å; P294-T297 PolarHBondContact O-OG1 2.96Å
295P85.5Confident91.3Very high124 Ų12463.9 Ų63.981%0.80534%0.336SS*.THydrogen-bonded Turntrans-61.8-14.9-169.522.5-34.1000114.7
296K88.7Confident91.3Very high203 Ų20356.8 Ų56.888%0.88331%0.306SS*.THydrogen-bonded Turntrans-103.47.9179.5-62.9-177.9-179.8177.10113.9P294 A298P294-K296 PolarHBondContact O-N 3.48Å; K296-A298 PolarHBondContact O-N 2.91Å
297T92.4Very high91.3Very high21 Ų2157.5 Ų57.513%0.12931%0.306CS..PPolyproline II helixtrans-67.2130.4-179.2-65.30000112H293 P294 N315 R317H293-T297 HydrophobicContact CB-CG2 4.14Å; P294-T297 WeakPolarHBondContact CD-OG1 3.5Å; P294-T297 WeakPolarHBondContact CG-OG1 3.38Å; P294-T297 WeakPolarHBondContact O-CB 3.49Å; P294-T297 PolarHBondContact O-N 3.4Å; P294-T297 PolarHBondContact O-OG1 2.96Å; T297-N315 VanDerWaalsContact CG2-O 3.24Å; T297-N315 WeakPolarHBondContact CG2-O 3.31Å; T297-R317 HydrophobicContact CG2-CG 4.01Å; T297-R317 PolarHBondContact O-NE 3.07Å; T297-R317 PolarHBondContact O-NH2 2.63Å
298A94Very high91.4Very high64 Ų6455.8 Ų55.853%0.52930%0.295SS..PPolyproline II helixtrans-62.3153.8176.600000112.5K296 R317K296-A298 PolarHBondContact O-N 2.91Å; A298-R317 PolarHBondContact O-N 3.46Å
299I93.6Very high91.2Very high51 Ų5154.3 Ų54.326%0.26229%0.291SS..BIsolated β-bridgetrans-71.3139.2173.7-58.8175.1000109S301 V321 L337I299-S301 PolarHBondContact O-N 3.39Å; I299-V321 HydrophobicContact CD1-CG2 3.83Å; I299-V321 HydrophobicContact CG2-CG2 4.49Å; I299-L337 HydrophobicContact CD1-CD1 4.18Å
300C94.5Very high91.1Very high2 Ų257.5 Ų57.51%0.01431%0.308CS..  trans-68.2112.7178.4-177.10000111.3D302 F303 S304 C308 K316 R317 H318C300-D302 PolarHBondContact O-N 3.19Å; C300-F303 HydrophobicContact CB-CB 3.71Å; C300-F303 PolarHBondContact O-N 3.01Å; C300-F303 PolarHBondContact SG-N 3.35Å; C300-F303 VanDerWaalsContact SG-N 3.45Å; C300-S304 PolarHBondContact O-N 3.11Å; C300-C308 VanDerWaalsContact SG-SG 3.62Å; C300-K316 HydrophobicContact CB-CB 3.62Å; C300-R317 WeakPolarHBondContact CB-O 3.47Å; C300-R317 PolarHBondContact N-O 3.42Å; C300-H318 VanDerWaalsContact CB-CD2 3.47Å; C300-H318 WeakPolarHBondContact CB-CD2 3.29Å
301S91.7Very high90.9Very high55 Ų5554.7 Ų54.739%0.38530%0.296SS..Hα-helixtrans-62.6-24.5176.155.10000113.7I299 S304 R305I299-S301 PolarHBondContact O-N 3.39Å; S301-S304 WeakPolarHBondContact CA-OG 2.92Å; S301-S304 PolarHBondContact O-OG 3.18Å; S301-R305 VanDerWaalsContact O-CG 3.26Å; S301-R305 WeakPolarHBondContact O-CG 3.4Å; S301-R305 PolarHBondContact O-N 3.44Å; S301-R305 PolarHBondContact O-NE 3.1Å; S301-R305 VanDerWaalsContact O-NE 3.1Å
302D91.1Very high90.9Very high36 Ų3660.1 Ų60.119%0.19331%0.313CS..Hα-helixtrans-79.3-40.1177.4-59.8-17.1000110.4C300 R305 G306 R307 C308 P309C300-D302 PolarHBondContact O-N 3.19Å; D302-R305 PolarHBondContact O-N 3.08Å; D302-R305 IonicContact OD1-CZ 3.09Å; D302-R305 IonicContact OD1-NE 2.64Å; D302-R305 IonicContact OD1-NH2 3.51Å; D302-R305 PolarHBondContact OD1-NH2 2.88Å; D302-G306 PolarHBondContact O-N 2.87Å; D302-R307 CarbonylContact C-O 3.54Å; D302-R307 CarbonylContact O-C 3.27Å; D302-R307 VanDerWaalsContact O-C 3.27Å; D302-R307 PolarHBondContact O-N 3.39Å; D302-R307 VanDerWaalsContact O-O 3.07Å; D302-C308 HydrophobicContact CB-CB 4.21Å; D302-P309 WeakPolarHBondContact OD2-CD 3.4Å
303F93.4Very high90.9Very high7 Ų758 Ų583%0.03131%0.311CS..Hα-helixtrans-65.3-41174.3-177-101.9000112R269 L270 P271 C300 R305 G306 C308 H318 W320R269-F303 WeakPolarHBondContact O-CE2 3.4Å; L270-F303 VanDerWaalsContact O-CE2 3.28Å; L270-F303 WeakPolarHBondContact O-CE2 3.1Å; P271-F303 HydrophobicContact CB-CZ 3.85Å; C300-F303 HydrophobicContact CB-CB 3.71Å; C300-F303 PolarHBondContact O-N 3.01Å; C300-F303 PolarHBondContact SG-N 3.35Å; C300-F303 VanDerWaalsContact SG-N 3.45Å; F303-R305 PolarHBondContact O-N 3.39Å; F303-G306 WeakPolarHBondContact O-CA 3.23Å; F303-G306 PolarHBondContact O-N 3.18Å; F303-C308 HydrophobicContact CB-CB 4.24Å; F303-H318 HydrophobicContact CD1-CB 3.95Å; F303-H318 HydrophobicContact CD2-CB 3.83Å; F303-H318 AromaticContact CD2-CG 3.62Å; F303-H318 AromaticContact CD2-ND1 3.69Å; F303-H318 VanDerWaalsContact CE1-C 3.4Å; F303-H318 HydrophobicContact CE1-CB 4.04Å; F303-H318 HydrophobicContact CE2-CB 3.93Å; F303-H318 HydrophobicContact CG-CB 3.83Å; F303-H318 AromaticContact CG-CD2 3.9Å; F303-H318 AromaticContact CG-CG 3.72Å; F303-H318 HydrophobicContact CZ-CB 4.03Å; F303-W320 AromaticContact CE1-CD1 3.35Å; F303-W320 HydrophobicContact CE1-CG 4.28Å; F303-W320 AromaticContact CE1-NE1 3.67Å; F303-W320 AromaticContact CZ-CD1 3.48Å; F303-W320 VanDerWaalsContact CZ-CD1 3.48Å; F303-W320 HydrophobicContact CZ-CG 4.45Å; F303-W320 AromaticContact CZ-NE1 3.25Å
304S90Very high91Very high71 Ų7156.6 Ų56.650%0.49731%0.305SS..Hα-helixtrans-63-26.5176.268.10000112.8C300 S301 G306C300-S304 PolarHBondContact O-N 3.11Å; S301-S304 WeakPolarHBondContact CA-OG 2.92Å; S301-S304 PolarHBondContact O-OG 3.18Å; S304-G306 VanDerWaalsContact C-N 3.26Å; S304-G306 PolarHBondContact O-N 2.85Å
305R86.8Confident91.1Very high114 Ų11459.1 Ų59.143%0.4331%0.314SS..THydrogen-bonded Turntrans-81.20.9171.2-67.8-177.6-64.4173.92.7114V217 S301 D302 F303V217-R305 HydrophobicContact CG2-CB 4.49Å; S301-R305 VanDerWaalsContact O-CG 3.26Å; S301-R305 WeakPolarHBondContact O-CG 3.4Å; S301-R305 PolarHBondContact O-N 3.44Å; S301-R305 PolarHBondContact O-NE 3.1Å; S301-R305 VanDerWaalsContact O-NE 3.1Å; D302-R305 PolarHBondContact O-N 3.08Å; D302-R305 IonicContact OD1-CZ 3.09Å; D302-R305 IonicContact OD1-NE 2.64Å; D302-R305 IonicContact OD1-NH2 3.51Å; D302-R305 PolarHBondContact OD1-NH2 2.88Å; F303-R305 PolarHBondContact O-N 3.39Å
306G87.6Confident91.5Very high9 Ų957.8 Ų57.89%0.09330%0.296CS..THydrogen-bonded Turntrans109.2-21.1173.100000115.4Y240 D302 F303 S304Y240-G306 WeakPolarHBondContact O-CA 3.36Å; D302-G306 PolarHBondContact O-N 2.87Å; F303-G306 WeakPolarHBondContact O-CA 3.23Å; F303-G306 PolarHBondContact O-N 3.18Å; S304-G306 VanDerWaalsContact C-N 3.26Å; S304-G306 PolarHBondContact O-N 2.85Å
307R90.8Very high91.7Very high32 Ų3250.3 Ų50.312%0.12126%0.262CS..  trans-153.5120.7-179.8-171.5174.6-175.8-90.8-5.3112.6C29 Y240 D266 C268 R269 D302C29-R307 PolarHBondContact O-NH2 3.43Å; Y240-R307 HydrophobicContact CD1-CB 4Å; Y240-R307 HydrophobicContact CE1-CB 4.44Å; D266-R307 IonicContact OD2-NE 3.79Å; D266-R307 IonicContact OD2-NH2 3.64Å; C268-R307 HydrophobicContact CB-CG 4.14Å; C268-R307 CarbonylContact O-C 3.59Å; C268-R307 WeakPolarHBondContact O-CA 3.32Å; R269-R307 HydrophobicContact CG-CB 4.4Å; R269-R307 HydrophobicContact CG-CG 4.15Å; D302-R307 CarbonylContact C-O 3.54Å; D302-R307 CarbonylContact O-C 3.27Å; D302-R307 VanDerWaalsContact O-C 3.27Å; D302-R307 PolarHBondContact O-N 3.39Å; D302-R307 VanDerWaalsContact O-O 3.07Å
308C93.7Very high91.9Very high0 Ų049.5 Ų49.50%026%0.257CS..  trans-90.9127.4170.9-178.10000111.2C268 C300 D302 F303 L310 G311 C314 H318C268-C308 WeakPolarHBondContact CA-O 3.47Å; C268-C308 WeakPolarHBondContact CB-O 3.17Å; C268-C308 PolarHBondContact O-N 2.96Å; C300-C308 VanDerWaalsContact SG-SG 3.62Å; D302-C308 HydrophobicContact CB-CB 4.21Å; F303-C308 HydrophobicContact CB-CB 4.24Å; C308-L310 PolarHBondContact O-N 3.31Å; C308-L310 PolarHBondContact SG-N 3.38Å; C308-L310 VanDerWaalsContact SG-N 3.4Å; C308-G311 PolarHBondContact O-N 2.95Å; C308-C314 VanDerWaalsContact SG-SG 3.61Å; C308-H318 VanDerWaalsContact CB-CE1 3.41Å; C308-H318 WeakPolarHBondContact CB-CE1 3.32Å; C308-H318 VanDerWaalsContact CB-NE2 3.31Å; C308-H318 WeakPolarHBondContact CB-NE2 3.37Å; C308-H318 PolarHBondContact SG-NE2 3.15Å; C308-H318 VanDerWaalsContact SG-NE2 3.4Å
309P90.6Very high91.7Very high19 Ų1948.8 Ų48.812%0.12324%0.243CC..THydrogen-bonded Turntrans-65.7-24.8176.826.8-33.6000113.5N28 C29 Q30 D302N28-P309 PolarHBondContact OD1-O 2.97Å; C29-P309 WeakPolarHBondContact CB-O 3.44Å; C29-P309 PolarHBondContact N-O 3.06Å; C29-P309 VanDerWaalsContact N-O 3.07Å; C29-P309 PolarHBondContact SG-O 3.06Å; Q30-P309 HydrophobicContact CG-CB 3.76Å; D302-P309 WeakPolarHBondContact OD2-CD 3.4Å
310L91.2Very high91.5Very high69 Ų6949 Ų4936%0.36124%0.241SC..THydrogen-bonded Turntrans-84.7-21.3-177.4-59.1176.3000113.2C308 R312 L313 C314C308-L310 PolarHBondContact O-N 3.31Å; C308-L310 PolarHBondContact SG-N 3.38Å; C308-L310 VanDerWaalsContact SG-N 3.4Å; L310-R312 PolarHBondContact O-N 3.3Å; L310-L313 WeakPolarHBondContact O-CB 3.29Å; L310-L313 PolarHBondContact O-N 3.37Å; L310-C314 HydrophobicContact CB-CB 3.87Å
311G89.7Confident90.9Very high2 Ų252.4 Ų52.42%0.02126%0.262CS..G310 helixtrans52.4-123.3179.800000112.8P267 C308 L313 C314 H318P267-G311 WeakPolarHBondContact O-CA 3.46Å; C308-G311 PolarHBondContact O-N 2.95Å; G311-L313 PolarHBondContact O-N 2.95Å; G311-C314 WeakPolarHBondContact O-CB 3.43Å; G311-C314 PolarHBondContact O-N 2.79Å; G311-H318 PolarHBondContact O-CE1 3.25Å; G311-H318 VanDerWaalsContact O-CE1 3.27Å
312R90.2Very high89.7Confident137 Ų13757.6 Ų57.652%0.51728%0.279SS..G310 helixtrans-58.7-23.9177.2-75.5173.7-170.7-97.60.2113.9P267 L289 L310 C314P267-R312 HydrophobicContact CB-CG 3.97Å; L289-R312 HydrophobicContact CD2-CG 3.56Å; L310-R312 PolarHBondContact O-N 3.3Å; R312-C314 VanDerWaalsContact C-N 3.33Å
313L91Very high88.3Confident82 Ų8263.2 Ų63.243%0.42930%0.302SS..G310 helixtrans-93.48.7-176.5-56.2168.3000112.4V26 S27 L310 G311V26-L313 HydrophobicContact CG1-CD1 3.41Å; V26-L313 VanDerWaalsContact CG1-CD1 3.41Å; V26-L313 HydrophobicContact CG1-CD2 4.05Å; V26-L313 HydrophobicContact CG1-CG 4.31Å; S27-L313 VanDerWaalsContact O-CD1 3.31Å; S27-L313 WeakPolarHBondContact O-CD1 3.22Å; L310-L313 WeakPolarHBondContact O-CB 3.29Å; L310-L313 PolarHBondContact O-N 3.37Å; G311-L313 PolarHBondContact O-N 2.95Å
314C93.6Very high86Confident7 Ų767.1 Ų67.15%0.04733%0.33CS..  trans-74.2130.9179.2-164.20000110.5H293 C308 L310 G311 R312 K316 H318H293-C314 PolarHBondContact CE1-O 3.4Å; C308-C314 VanDerWaalsContact SG-SG 3.61Å; L310-C314 HydrophobicContact CB-CB 3.87Å; G311-C314 WeakPolarHBondContact O-CB 3.43Å; G311-C314 PolarHBondContact O-N 2.79Å; R312-C314 VanDerWaalsContact C-N 3.33Å; C314-K316 PolarHBondContact O-N 2.92Å; C314-H318 VanDerWaalsContact CB-NE2 3.33Å; C314-H318 WeakPolarHBondContact CB-NE2 3.09Å
315N92.9Very high83.8Confident136 Ų13672.7 Ų72.773%0.72735%0.346SS*.SBendtrans-82.110.6175-60.7-10000113T297T297-N315 VanDerWaalsContact CG2-O 3.24Å; T297-N315 WeakPolarHBondContact CG2-O 3.31Å
316K94.2Very high81.7Confident96 Ų9673.1 Ų73.142%0.41736%0.356SS..SBendtrans-124.2149.9-176.7-62.9-176.8-177.1-174.40109.9C300 C314 H318C300-K316 HydrophobicContact CB-CB 3.62Å; C314-K316 PolarHBondContact O-N 2.92Å; K316-H318 PolarHBondContact O-CD2 2.85Å; K316-H318 PolarHBondContact O-N 2.87Å
317R93.8Very high79.4Confident47 Ų4779.2 Ų79.218%0.17739%0.387CS..BIsolated β-bridgetrans-70.7128.7-174.2-62.7-167.6-66.5158.5-3.1112.3H293 T297 A298 C300 I319H293-R317 HydrophobicContact CB-CG 4.03Å; T297-R317 HydrophobicContact CG2-CG 4.01Å; T297-R317 PolarHBondContact O-NE 3.07Å; T297-R317 PolarHBondContact O-NH2 2.63Å; A298-R317 PolarHBondContact O-N 3.46Å; C300-R317 WeakPolarHBondContact CB-O 3.47Å; C300-R317 PolarHBondContact N-O 3.42Å; R317-I319 HydrophobicContact CB-CD1 3.82Å; R317-I319 HydrophobicContact CB-CG1 4.07Å; R317-I319 HydrophobicContact CG-CD1 4.48Å; R317-I319 PolarHBondContact O-N 3.02Å
318H94.6Very high77Confident4 Ų488.4 Ų88.42%0.01943%0.428CS..  trans-91.977.7174.6-74.8-170.7000110.4L270 P271 Q272 L289 C300 F303 C308 G311 C314 K316L270-H318 PolarHBondContact O-ND1 3.44Å; P271-H318 CarbonylContact C-O 3.44Å; P271-H318 VanDerWaalsContact CA-O 3.3Å; P271-H318 WeakPolarHBondContact CA-O 3.45Å; Q272-H318 PolarHBondContact N-O 2.82Å; L289-H318 HydrophobicContact CD1-CB 4.37Å; L289-H318 WeakPolarHBondContact CD1-ND1 3.47Å; C300-H318 VanDerWaalsContact CB-CD2 3.47Å; C300-H318 WeakPolarHBondContact CB-CD2 3.29Å; F303-H318 HydrophobicContact CD1-CB 3.95Å; F303-H318 HydrophobicContact CD2-CB 3.83Å; F303-H318 AromaticContact CD2-CG 3.62Å; F303-H318 AromaticContact CD2-ND1 3.69Å; F303-H318 VanDerWaalsContact CE1-C 3.4Å; F303-H318 HydrophobicContact CE1-CB 4.04Å; F303-H318 HydrophobicContact CE2-CB 3.93Å; F303-H318 HydrophobicContact CG-CB 3.83Å; F303-H318 AromaticContact CG-CD2 3.9Å; F303-H318 AromaticContact CG-CG 3.72Å; F303-H318 HydrophobicContact CZ-CB 4.03Å; C308-H318 VanDerWaalsContact CB-CE1 3.41Å; C308-H318 WeakPolarHBondContact CB-CE1 3.32Å; C308-H318 VanDerWaalsContact CB-NE2 3.31Å; C308-H318 WeakPolarHBondContact CB-NE2 3.37Å; C308-H318 PolarHBondContact SG-NE2 3.15Å; C308-H318 VanDerWaalsContact SG-NE2 3.4Å; G311-H318 PolarHBondContact O-CE1 3.25Å; G311-H318 VanDerWaalsContact O-CE1 3.27Å; C314-H318 VanDerWaalsContact CB-NE2 3.33Å; C314-H318 WeakPolarHBondContact CB-NE2 3.09Å; K316-H318 PolarHBondContact O-CD2 2.85Å; K316-H318 PolarHBondContact O-N 2.87Å
319I91.4Very high74.7Confident48 Ų4893.3 Ų93.325%0.24646%0.462CS..  trans-114.7136.1-178.1-59.9167.8000109.9R317 V321R317-I319 HydrophobicContact CB-CD1 3.82Å; R317-I319 HydrophobicContact CB-CG1 4.07Å; R317-I319 HydrophobicContact CG-CD1 4.48Å; R317-I319 PolarHBondContact O-N 3.02Å; I319-V321 PolarHBondContact O-N 3.34Å
320W89Confident72Confident57 Ų5795.6 Ų95.622%0.21649%0.489CS..  trans-79105.6171.7-66.7-34.9000110.1R242 P245 L248 P271 F303 Q322R242-W320 HydrophobicContact CG-CZ2 3.82Å; R242-W320 VanDerWaalsContact NE-CD2 3.33Å; R242-W320 VanDerWaalsContact NE-NE1 3.16Å; R242-W320 VanDerWaalsContact NH2-CG 3.3Å; P245-W320 HydrophobicContact CB-CH2 4.23Å; P245-W320 HydrophobicContact CB-CZ3 4.17Å; P245-W320 HydrophobicContact CG-CH2 3.99Å; P245-W320 HydrophobicContact CG-CZ3 4.12Å; L248-W320 HydrophobicContact CD1-CH2 3.48Å; L248-W320 VanDerWaalsContact CD1-CH2 3.48Å; L248-W320 HydrophobicContact CD1-CZ2 4.09Å; L248-W320 HydrophobicContact CD1-CZ3 4.26Å; P271-W320 HydrophobicContact CB-CD2 4.06Å; P271-W320 HydrophobicContact CB-CE3 4.42Å; P271-W320 HydrophobicContact CG-CD2 3.95Å; P271-W320 HydrophobicContact CG-CE3 4.04Å; P271-W320 HydrophobicContact CG-CH2 3.91Å; P271-W320 HydrophobicContact CG-CZ2 3.68Å; P271-W320 HydrophobicContact CG-CZ3 4.05Å; F303-W320 AromaticContact CE1-CD1 3.35Å; F303-W320 HydrophobicContact CE1-CG 4.28Å; F303-W320 AromaticContact CE1-NE1 3.67Å; F303-W320 AromaticContact CZ-CD1 3.48Å; F303-W320 VanDerWaalsContact CZ-CD1 3.48Å; F303-W320 HydrophobicContact CZ-CG 4.45Å; F303-W320 AromaticContact CZ-NE1 3.25Å; W320-Q322 PolarHBondContact O-N 3.37Å
321V80.9Confident69.4Low73 Ų73101.2 Ų101.244%0.44251%0.513SS..  trans-67.3108.3176.3-175.30000108.9I299 I319 K323I299-V321 HydrophobicContact CD1-CG2 3.83Å; I299-V321 HydrophobicContact CG2-CG2 4.49Å; I319-V321 PolarHBondContact O-N 3.34Å; V321-K323 PolarHBondContact O-N 3.06Å
322Q66.5Low67.2Low163 Ų163109.4 Ų109.476%0.76255%0.55SS**  trans-73.1114.4165.4-70178.8-5300106.9W320 S324W320-Q322 PolarHBondContact O-N 3.37Å; Q322-S324 PolarHBondContact O-N 2.98Å
323K61.9Low64.7Low155 Ų155111.1 Ų111.167%0.67456%0.562SS**  trans-66.4103.9168-160.1173-174.1-1780105.5V321 F325V321-K323 PolarHBondContact O-N 3.06Å; K323-F325 PolarHBondContact O-N 3.3Å
324S45.2Very low62.2Low88 Ų88116.3 Ų116.362%0.61559%0.589SS**  trans-61.2124.9167.845.40000106.8Q322 L326Q322-S324 PolarHBondContact O-N 2.98Å; S324-L326 PolarHBondContact O-N 3.43Å
325F44.6Very low59.6Low189 Ų189119.4 Ų119.483%0.82961%0.61SS**  trans-73.281.5167.2-61.5-85.5000106.3K323 N327K323-F325 PolarHBondContact O-N 3.3Å; F325-N327 PolarHBondContact O-N 3.07Å
326L41.7Very low57.1Low122 Ų122121.8 Ų121.864%0.63961%0.614SS**  trans-68.5124.5158.3-100.784.1000106.6S324S324-L326 PolarHBondContact O-N 3.43Å
327N39Very low54.5Low138 Ų138123 Ų12374%0.73863%0.625SS**  trans-48.8148.2177.7-65-32.7000111.1F325 S329F325-N327 PolarHBondContact O-N 3.07Å; N327-S329 PolarHBondContact O-N 3.11Å
328K42.1Very low51.7Low225 Ų225125.8 Ų125.898%0.97865%0.647SS**SBendtrans-60.324.5-169.1-72.5177.2174.4175.30117.1
329S45.2Very low49Very low102 Ų102131.7 Ų131.771%0.71368%0.677SS**SBendtrans-99.3131.3170.552.60000110N327N327-S329 PolarHBondContact O-N 3.11Å
330G33.6Very low46.3Very low67 Ų67135.9 Ų135.969%0.69171%0.705SS**SBendtrans-52.3159.5-16600000117.4
331H36Very low43.8Very low187 Ų187137.9 Ų137.987%0.86673%0.727SS**  trans58.3102.2166-70.3-90.7000116.8
332Q44.4Very low41.5Very low174 Ų174144.4 Ų144.481%0.81375%0.75SS**  trans-159.1105.9136.8-107.1158.98700113
333K37Very low40Very low174 Ų174139.9 Ų139.976%0.75775%0.747SS**  trans10.4121.4140-133.9164.8-176.7172.50116.2S335K333-S335 PolarHBondContact O-N 3.43Å
334L39Very low38.7Very low191 Ų191137.3 Ų137.3100%176%0.755SS**SBendtrans-65.875.3170.3-150.883.8000110.3
335S38.5Very low38.1Very low71 Ų71139.6 Ų139.650%0.49777%0.77SS.*  trans-14992.3175.859.20000110K333K333-S335 PolarHBondContact O-N 3.43Å
336K40.5Very low37.8Very low187 Ų187139.6 Ų139.681%0.81377%0.769SS**  trans138.285.1160.4-82.2171.9176.61770110.5T338K336-T338 PolarHBondContact O-N 3.2Å
337L38.6Very low37.5Very low121 Ų121139.5 Ų139.563%0.63477%0.774SS**  trans-75.887.6143.8-77.5165.4000105.4I299 I339I299-L337 HydrophobicContact CD1-CD1 4.18Å; L337-I339 PolarHBondContact O-N 3.48Å; L337-I339 VanDerWaalsContact O-N 3.09Å
338T35.3Very low37.4Very low106 Ų106140.5 Ų140.565%0.6578%0.778SS**  trans-69.599.7172-46.90000107.1K336K336-T338 PolarHBondContact O-N 3.2Å
339I39.2Very low36.8Very low127 Ų127137 Ų13765%0.65177%0.77SS**  trans-66.9127.6154.4-63.5173.1000105L337 S341L337-I339 PolarHBondContact O-N 3.48Å; L337-I339 VanDerWaalsContact O-N 3.09Å; I339-S341 PolarHBondContact O-N 3.35Å
340V33.5Very low36.3Very low137 Ų137137.6 Ų137.683%0.8377%0.769SS**  trans-57.799.1177.1176.70000108.8
341S36.6Very low36.3Very low98 Ų98143.3 Ų143.369%0.68578%0.775SS**  trans-132.8116.7154.669.30000107.7I339I339-S341 PolarHBondContact O-N 3.35Å
342K33.3Very low36.3Very low210 Ų210142.8 Ų142.891%0.91378%0.777SS**  trans-55.4137.1166.7-66174.6175.2178.20108.5
343G35Very low35.8Very low68 Ų68143.2 Ų143.270%0.70178%0.779SS**SBendtrans112.6102.7166.500000115.1
344A34.2Very low35.5Very low102 Ų102142.7 Ų142.784%0.84379%0.785SS**  trans24.7116150.600000119.6
345C33.8Very low35Very low136 Ų136140.2 Ų140.292%0.91978%0.778SS**  -168.2144.8107.6-135.10000112.7
346K37.1Very low34.9Very low189 Ų189141.9 Ų141.982%0.82279%0.788SS**  trans-90.8150.7-175.3-68.8169.7171.1170.80110.6
347T35.6Very low34.2Very low120 Ų120142.1 Ų142.174%0.73679%0.792SS**  trans65.6110.5150.1-22.80000119.9
348L36.5Very low34.4Very low159 Ų159146.2 Ų146.283%0.83280%0.801SS**  163111.8111-86.4177.9000110.1
349L29.9Very low34.5Very low152 Ų152148.8 Ų148.880%0.79681%0.81SS**  trans-114.2107171.3-175.778.2000107.2
350T34.8Very low34.3Very low114 Ų114151.6 Ų151.670%0.69981%0.814SS**  trans-135.4110.2164.342.50000109.6
351K33Very low34.4Very low187 Ų187150.9 Ų150.981%0.81381%0.813SS**  trans45.3106.7142.8-55.2179.7-178.4-179.20117.4
352L35.5Very low34.5Very low176 Ų176149.4 Ų149.492%0.92181%0.812SS**  trans-137.4126.4147.7-77.9176000109.2
353E34.2Very low34.8Very low183 Ų183144.6 Ų144.686%0.85580%0.803SS**  trans-84.3135.5-175.6-63.5166.7167.200109.4T355E353-T355 PolarHBondContact O-N 3.07Å
354D30.5Very low35.1Very low163 Ų163145.9 Ų145.987%0.87280%0.797SS**  trans-85.2108.6179.9-83.3-31.8000110.6
355T29.5Very low35.4Very low138 Ų138144.1 Ų144.185%0.84778%0.782SS**  trans-127104.6155.854.90000109.1E353E353-T355 PolarHBondContact O-N 3.07Å
356C36.6Very low36Very low107 Ų107140 Ų14072%0.72376%0.758SS**  trans-140.3111.4160.563.10000111.3
357E26.2Very low36.5Very low192 Ų192133.1 Ų133.190%0.89773%0.733SS**  trans-70.7134.5168.9-59.6-177.214500109.4
358Y42.9Very low36.9Very low206 Ų206132.6 Ų132.681%0.80874%0.741SS**  trans-133.9117.8173.4-112.1-86.3000112
359N35.9Very low37.5Very low160 Ų160128.8 Ų128.886%0.85674%0.74SS**  trans-78.9141170.5-85.5-54.5000111.1
360Y36.5Very low38.4Very low187 Ų187123.1 Ų123.173%0.73371%0.713SS**  trans-110.6132.5-179.9-100.9-86.3000111.9
361P35.9Very low39.4Very low122 Ų122122.6 Ų122.679%0.79271%0.705SS**  trans-105.3158.4158.228.3-13.6000113
362G38.3Very low40.1Very low66 Ų66116.9 Ų116.968%0.6868%0.679SS**  trans-77-164.5-161.500000120
363P38.6Very low40.7Very low109 Ų109115.3 Ų115.371%0.70867%0.671SS**  trans-91.4134.3-149.134.6-33.9000115.9
364V42.7Very low41.2Very low95 Ų95110.2 Ų110.258%0.57665%0.652SS**  trans-121.3146.3-179.9-179.50000111N31N31-V364 PolarHBondContact OD1-O 3.12Å
365A39.8Very low41.6Very low66 Ų66112.6 Ų112.655%0.54565%0.65SS.*PPolyproline II helixtrans-66166.3-173.900000115.6N31N31-A365 WeakPolarHBondContact ND2-CA 3.44Å
366A45.4Very low42.4Very low50 Ų50110.9 Ų110.941%0.41364%0.642SS.*PPolyproline II helixtrans-62.4141.4-174.600000113.2N31N31-A366 PolarHBondContact ND2-N 3.46Å; N31-A366 VanDerWaalsContact ND2-N 3.18Å
367P49.2Very low42.9Very low44 Ų44108.1 Ų108.129%0.28662%0.622SS.*PPolyproline II helixtrans-58.9144.5177-12.818.4000113.5S27 G369 S370S27-P367 VanDerWaalsContact CB-CG 3.48Å; S27-P367 WeakPolarHBondContact OG-CA 3.39Å; S27-P367 WeakPolarHBondContact OG-CB 3.29Å; S27-P367 WeakPolarHBondContact OG-CG 3.39Å; P367-G369 PolarHBondContact O-N 3.09Å; P367-S370 WeakPolarHBondContact O-CB 3.43Å; P367-S370 PolarHBondContact O-N 2.75Å
368A43.5Very low43.8Very low109 Ų109100.8 Ų100.890%0.90159%0.591SS**THydrogen-bonded Turntrans-58.4128.6157.100000109
369G49Very low44Very low79 Ų79100.5 Ų100.581%0.81460%0.597SS**THydrogen-bonded Turntrans98.1-1.9-174.100000115.7P367 L371P367-G369 PolarHBondContact O-N 3.09Å; G369-L371 PolarHBondContact O-N 3.27Å
370S48.1Very low45Very low33 Ų3399.4 Ų99.423%0.23159%0.585CS.*  trans-74.6103.6171.4167.40000111.2P367 R372P367-S370 WeakPolarHBondContact O-CB 3.43Å; P367-S370 PolarHBondContact O-N 2.75Å; S370-R372 PolarHBondContact O-N 3.14Å; S370-R372 WeakPolarHBondContact OG-CB 3.27Å
371L56.4Low45.3Very low102 Ų10293.7 Ų93.753%0.53457%0.567SS.*G310 helixtrans-61.11.8175.2-69.4175.4000115.2G369 N373 V374 P378G369-L371 PolarHBondContact O-N 3.27Å; L371-N373 PolarHBondContact O-N 3.13Å; L371-N373 VanDerWaalsContact O-N 3.08Å; L371-V374 HydrophobicContact CD2-CB 4.2Å; L371-V374 HydrophobicContact CD2-CG2 3.97Å; L371-V374 PolarHBondContact O-N 3.36Å; L371-P378 HydrophobicContact CD2-CG 4.32Å
372R46.5Very low45.3Very low68 Ų6892.8 Ų92.826%0.25756%0.561SS.*G310 helixtrans-64.9-12.1-178-65.9171.578.4-172.92.6114C29 R32 S370C29-R372 PolarHBondContact O-NH1 2.97Å; R32-R372 VanDerWaalsContact CZ-NH2 3.27Å; R32-R372 VanDerWaalsContact NE-NH2 3.16Å; R32-R372 VanDerWaalsContact NH2-NH2 3.19Å; S370-R372 PolarHBondContact O-N 3.14Å; S370-R372 WeakPolarHBondContact OG-CB 3.27Å
373N48.8Very low45.3Very low143 Ų14395.5 Ų95.577%0.76556%0.559SS**G310 helixtrans-130.911.5-177.9-60.3-6000113.4L371 Y375L371-N373 PolarHBondContact O-N 3.13Å; L371-N373 VanDerWaalsContact O-N 3.08Å; N373-Y375 PolarHBondContact O-N 3.19Å
374V45.8Very low45.4Very low75 Ų7595.9 Ų95.946%0.45556%0.559SS.*  trans-89.9105.5180-179.40000108.2L371L371-V374 HydrophobicContact CD2-CB 4.2Å; L371-V374 HydrophobicContact CD2-CG2 3.97Å; L371-V374 PolarHBondContact O-N 3.36Å
375Y39Very low45.3Very low214 Ų21496 Ų9684%0.83957%0.565SS**SBendtrans-127.1128.8168.7-156.8-90.4000107.5N373N373-Y375 PolarHBondContact O-N 3.19Å
376P46Very low45.3Very low102 Ų102100 Ų10066%0.66258%0.577SS**SBendcis-70.9154.92.431-34000112.5
377P47Very low45Very low48 Ų48103.8 Ų103.831%0.31259%0.59SS.*PPolyproline II helixtrans-55140.417421.1-30.5000110.6I381 L383P377-I381 HydrophobicContact CB-CD1 4.23Å; P377-L383 HydrophobicContact CB-CD1 4.37Å; P377-L383 HydrophobicContact CG-CD1 3.57Å
378P44.7Very low44.5Very low39 Ų39109 Ų10925%0.25362%0.616SS.*PPolyproline II helixtrans-65.2139.2-179.924.6-32.2000111.6L371 F380 I381L371-P378 HydrophobicContact CD2-CG 4.32Å; P378-F380 HydrophobicContact CB-CD1 3.72Å; P378-F380 HydrophobicContact CB-CE1 3.66Å; P378-F380 HydrophobicContact CG-CD1 3.89Å; P378-F380 HydrophobicContact CG-CE1 3.35Å; P378-F380 HydrophobicContact CG-CZ 4.14Å; P378-F380 PolarHBondContact O-N 3.2Å; P378-I381 HydrophobicContact CG-CD1 4.34Å; P378-I381 PolarHBondContact O-N 3.5Å; P378-I381 VanDerWaalsContact O-N 3.08Å
379E46.8Very low44.4Very low199 Ų199112.1 Ų112.193%0.9362%0.617SS**THydrogen-bonded Turntrans-55.8-16.7-170.3-71.3-176.3152.600115.7I381E379-I381 PolarHBondContact O-N 3.25Å
380F56.4Low44Very low138 Ų138113.6 Ų113.661%0.60562%0.615SS**THydrogen-bonded Turntrans-73.8-5.3176.480-93.6000113.9P378 P382P378-F380 HydrophobicContact CB-CD1 3.72Å; P378-F380 HydrophobicContact CB-CE1 3.66Å; P378-F380 HydrophobicContact CG-CD1 3.89Å; P378-F380 HydrophobicContact CG-CE1 3.35Å; P378-F380 HydrophobicContact CG-CZ 4.14Å; P378-F380 PolarHBondContact O-N 3.2Å; F380-P382 VanDerWaalsContact O-CD 3.25Å; F380-P382 WeakPolarHBondContact O-CD 3.27Å
381I44Very low43.7Very low66 Ų66120.5 Ų120.534%0.33865%0.646SS.*SBendtrans-89.7105.1167.9-56.2172.2000105.8P377 P378 E379 L383P377-I381 HydrophobicContact CB-CD1 4.23Å; P378-I381 HydrophobicContact CG-CD1 4.34Å; P378-I381 PolarHBondContact O-N 3.5Å; P378-I381 VanDerWaalsContact O-N 3.08Å; E379-I381 PolarHBondContact O-N 3.25Å; I381-L383 HydrophobicContact CG2-CD2 4.27Å; I381-L383 HydrophobicContact CG2-CG 4.3Å; I381-L383 PolarHBondContact O-N 2.92Å
382P35.3Very low43.1Very low104 Ų104122 Ų12268%0.67566%0.659SS**  trans-65.592.3175.226.6-32.1000108F380 T384F380-P382 VanDerWaalsContact O-CD 3.25Å; F380-P382 WeakPolarHBondContact O-CD 3.27Å; P382-T384 VanDerWaalsContact C-N 3.31Å; P382-T384 PolarHBondContact O-N 3.36Å
383L39.1Very low42.9Very low122 Ų122122.5 Ų122.564%0.63968%0.678SS**  trans-8091.8161.4-65.3173000104P377 I381 S385P377-L383 HydrophobicContact CB-CD1 4.37Å; P377-L383 HydrophobicContact CG-CD1 3.57Å; I381-L383 HydrophobicContact CG2-CD2 4.27Å; I381-L383 HydrophobicContact CG2-CG 4.3Å; I381-L383 PolarHBondContact O-N 2.92Å; L383-S385 VanDerWaalsContact C-N 3.34Å; L383-S385 PolarHBondContact O-N 3Å
384T40Very low43Very low117 Ų117122.6 Ų122.672%0.71868%0.684SS**  trans-58.6109.1161.149.30000105.9P382 D386P382-T384 VanDerWaalsContact C-N 3.31Å; P382-T384 PolarHBondContact O-N 3.36Å; T384-D386 PolarHBondContact O-N 3.49Å
385S39.9Very low43.2Very low99 Ų99126.1 Ų126.169%0.69270%0.701SS**  trans-64109.7165.542.30000106.5L383 N387L383-S385 VanDerWaalsContact C-N 3.34Å; L383-S385 PolarHBondContact O-N 3Å; S385-N387 PolarHBondContact O-N 2.96Å
386D39.8Very low43.9Very low148 Ų148120.7 Ų120.779%0.79170%0.7SS**SBendtrans-68.379.4165.2-60.2-38.4000107.3T384T384-D386 PolarHBondContact O-N 3.49Å
387N39.5Very low44.2Very low131 Ų131124 Ų12470%0.70171%0.712SS**  trans-163.2133.1162-76.6-41.1000106.5S385S385-N387 PolarHBondContact O-N 2.96Å
388D38.9Very low44.6Very low154 Ų154125.1 Ų125.182%0.82473%0.732SS**  trans102.950.7168.7-45.8-29.3000117.7
389D40.8Very low44.9Very low174 Ų174132.9 Ų132.993%0.9379%0.787SS**  trans-103.272.6155.6-75.4-36.3000110.1
390S42.2Very low44.8Very low109 Ų109129.6 Ų129.676%0.76278%0.78SS**  trans-161.484.7159.164.90000110.4
391M40.7Very low44.2Very low178 Ų178129.1 Ų129.188%0.87779%0.789SS**  trans-166.3136.8150.5-92.1-99.817600109.6
392T44Very low44.2Very low133 Ų133132.6 Ų132.682%0.81681%0.814SS**  trans99123160.174.80000119.8
393A42.3Very low44.8Very low80 Ų80134.3 Ų134.366%0.66182%0.822SS**  trans82.789146.600000119.3
394T50.1Low45.1Very low144 Ų144135.1 Ų135.188%0.88383%0.834SS**  trans-115.2109.1131.146.20000108.6
395D51.3Low45.5Very low150 Ų150136.3 Ų136.380%0.80284%0.842SS**  trans-56.3142.9161.1-54.5-58.3000110.7
396A52.8Low45.8Very low100 Ų100138.9 Ų138.983%0.82685%0.852SS**  trans172.3119.1133.100000110.6
397N52.8Low46.3Very low172 Ų172138.2 Ų138.292%0.9286%0.857SS**  trans-53153.3167.3-72.9-44.5000113.6
398G55.8Low46.9Very low71 Ų71138.8 Ų138.873%0.73287%0.87SS**  trans11588.4138.600000115.8
399S50.8Low47.6Very low201 Ų201137.5 Ų137.5100%1.40687%0.874SS**  161.10128-64.90000110

Retrieved 399 of 399 residues in 53.1 ms (Link to these results)