A0A3Q0KHK8_SCHMA Loading...

Neurogenic differentiation factor

AlphaFold DB , UniProt , Accession A0A3Q0KHK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 497 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low34.9Very low240 Ų240162.6 Ų162.6100%1.18285%0.847SS**  0143.50-69.7168.776.400107.6
2N34.9Very low35Very low140 Ų140159.3 Ų159.375%0.74984%0.839SS**  trans33.5101.6175.8-65.115.6000119.3
3S27.6Very low35.2Very low115 Ų115156.7 Ų156.780%0.80483%0.833SS**  trans-66.8136.9148.334.10000110.9
4H43.1Very low35.4Very low164 Ų164153.3 Ų153.376%0.75982%0.821SS**  trans-135.3132161.2-94.5-53.6000112
5N37.8Very low35Very low136 Ų136155.7 Ų155.773%0.72782%0.821SS**  trans-62.3137.1-171.6-62.8-27.3000113.8
6W34.3Very low35.3Very low268 Ų268152.9 Ų152.9100%1.01581%0.813SS**  trans-104.777.9148.7-80.776.5000108.9
7S32.2Very low35.2Very low99 Ų99154.9 Ų154.969%0.69282%0.816SS**  trans-122.6103.817359.90000108.6
8G33.6Very low35.4Very low72 Ų72156.3 Ų156.374%0.74282%0.817SS**  trans176.446.7-171.800000115.1
9F34.6Very low35.3Very low204 Ų204153.4 Ų153.490%0.89581%0.811SS**  trans-146.145.5168.8-135.4-85.3000114
10D34.6Very low35.6Very low161 Ų161155.8 Ų155.886%0.86181%0.814SS**  trans-127.9100.8161.4-85.8-49.2000108.9
11Q35.8Very low35.5Very low190 Ų190155.6 Ų155.689%0.88881%0.814SS**  trans-112.396.6162.8-90.2-173.2-8.200108.7V13Q11-V13 PolarHBondContact O-N 2.98Å
12T36.2Very low35.5Very low122 Ų122149.2 Ų149.275%0.74879%0.793SS**  trans-67.610716842.30000109.6V14T12-V14 PolarHBondContact O-N 3.43Å
13V38.2Very low35.6Very low126 Ų126149.8 Ų149.876%0.76480%0.796SS**  trans-76.496170.7-179.90000108.5Q11 F15Q11-V13 PolarHBondContact O-N 2.98Å; V13-F15 PolarHBondContact O-N 3.33Å
14V37Very low35.9Very low109 Ų109152.6 Ų152.666%0.66179%0.794SS**  trans-79115.3171.9178.20000108.8T12 T16T12-V14 PolarHBondContact O-N 3.43Å; V14-T16 HydrophobicContact CG1-CG2 4.36Å; V14-T16 PolarHBondContact O-N 3.3Å
15F30.6Very low35.5Very low190 Ų190152.9 Ų152.983%0.83380%0.801SS**  trans-74120163.9-93-94.7000109.3V13V13-F15 PolarHBondContact O-N 3.33Å
16T39.8Very low35.2Very low111 Ų111151.5 Ų151.568%0.68180%0.797SS**  trans-104.9110.6167.231.90000109.9V14V14-T16 HydrophobicContact CG1-CG2 4.36Å; V14-T16 PolarHBondContact O-N 3.3Å
17E32.3Very low35.5Very low187 Ų187145.4 Ų145.487%0.87479%0.789SS**  trans-74.6128.4168-66.4-174.1147.400110
18H40Very low35.5Very low179 Ų179147.3 Ų147.383%0.82979%0.792SS**  trans-11998.1164-86.7-56.7000109.8
19S34Very low35.7Very low101 Ų101150.7 Ų150.771%0.70679%0.793SS**  trans-64.9142.7165-176.40000110.8
20K40.9Very low35.9Very low202 Ų202146.5 Ų146.588%0.87878%0.78SS**  trans-157.7123.4155-111.7168.2-169.71770110.6
21D32.4Very low36.1Very low152 Ų152145.4 Ų145.481%0.81377%0.773SS**  trans-72.1147.8-174-46.8-87.9000113.4
22S36.5Very low36.1Very low106 Ų106144 Ų14474%0.74177%0.772SS**  trans-16292156.5177.50000112.8
23L36.7Very low35.9Very low152 Ų152143.6 Ų143.680%0.79677%0.771SS**  trans36.3115.3150.4-71.7104.2000121.5
24F33.2Very low35.6Very low174 Ų174146.5 Ų146.576%0.76378%0.779SS**  26.2121.5123.9-70.3-86.4000119.6
25N35Very low35.6Very low170 Ų170144.8 Ų144.891%0.90978%0.776SS**  -150.2135.9112.7-106.5-26.4000111.6
26V32.5Very low35.4Very low107 Ų107143.1 Ų143.165%0.64878%0.775SS**  trans-108.8127.4-178.2170.30000109.2
27T40.1Very low35.1Very low139 Ų139147.2 Ų147.285%0.85378%0.783SS**  trans-147.1117144.8450000108.5
28N31.4Very low35.1Very low139 Ų139145.3 Ų145.374%0.74377%0.774SS**  trans-63.9158.1164.5-64.8-42.7000109.7
29D37.2Very low34.8Very low143 Ų143144.1 Ų144.177%0.76577%0.774SS**  -168.3131.9121.2-103.6-6.4000115.1
30N39.2Very low34.6Very low117 Ų117145.9 Ų145.963%0.62678%0.776SS**  trans74.8101.6141.6-60.9-39.1000123.5
31L39Very low34.4Very low138 Ų138144.7 Ų144.772%0.72377%0.773SS**  67.1105.1118.1-63.8165.7000120.3
32N36.8Very low34.3Very low160 Ų160141 Ų14186%0.85677%0.771SS**  -176.1116111.8-98-28.8000112.9
33P31.2Very low34.1Very low114 Ų114143.4 Ų143.474%0.7477%0.774SS**  trans-106.1117.9164.133.9-23.1000110.6
34M31.9Very low33.9Very low186 Ų186143.6 Ų143.692%0.91677%0.77SS**  trans-153.7140.8170.2-130.7168.576.200117
35A36.7Very low33.9Very low74 Ų74142 Ų14261%0.61278%0.775SS**  trans64.794.3154.200000119.1F37A35-F37 PolarHBondContact O-N 3.09Å
36I27Very low33.7Very low155 Ų155139.5 Ų139.580%0.79576%0.762SS**  trans-48.3129.3142.3-63.7160.4000109.2
37F33.3Very low33.7Very low197 Ų197139 Ų13986%0.86476%0.763SS**  trans-134.6115.4151.5-110.9-84.1000109.8A35A35-F37 PolarHBondContact O-N 3.09Å
38Q32.1Very low33.4Very low147 Ų147142.6 Ų142.669%0.68777%0.767SS**  trans-68.5142.2166.4-64.9172.6-14.900108.5
39N33.4Very low33.7Very low154 Ų154143.4 Ų143.482%0.82477%0.766SS**  trans-137.9108.4157.5-124.9-4.2000109.3
40N30Very low33.5Very low138 Ų138141.9 Ų141.974%0.73877%0.767SS**  trans-85.2110.7-177.8-72.7-37.2000110.4
41H37.9Very low33.1Very low176 Ų176143.6 Ų143.682%0.81578%0.776SS**  trans-138.3119.1149.2-69.5-67.7000105.7
42G28.9Very low32.9Very low76 Ų76142.5 Ų142.578%0.78478%0.78SS**  cis104.951.520.400000110.4
43I33.7Very low33Very low156 Ų156142.8 Ų142.880%0.878%0.776SS**  trans-132.4117.5177.3-57.6-176.9000110.3
44H31.8Very low33.2Very low155 Ų155144.1 Ų144.172%0.71878%0.777SS**  trans-27.8131.1162.8-130.8-116.3000115.1D46H44-D46 IonicContact CE1-OD2 3.4Å; H44-D46 PolarHBondContact CE1-OD2 3.23Å; H44-D46 IonicContact ND1-OD2 3.49Å; H44-D46 PolarHBondContact ND1-OD2 3.37Å
45T32Very low33.4Very low140 Ų140144.5 Ų144.586%0.85977%0.774SS**  trans-10483.116553.60000110.1
46D31.3Very low33.6Very low118 Ų118148.2 Ų148.263%0.63178%0.78SS**  trans-120.4139.9173.9-97.7-3.2000112.2H44H44-D46 IonicContact CE1-OD2 3.4Å; H44-D46 PolarHBondContact CE1-OD2 3.23Å; H44-D46 IonicContact ND1-OD2 3.49Å; H44-D46 PolarHBondContact ND1-OD2 3.37Å
47S32.8Very low34Very low98 Ų98147.4 Ų147.469%0.68578%0.778SS**  trans42.385.6156.9-159.20000118.3H49S47-H49 VanDerWaalsContact C-N 3.26Å; S47-H49 PolarHBondContact O-N 3.15Å
48F33.7Very low34.3Very low213 Ų213147 Ų14793%0.93478%0.778SS**  trans-74.976.9160.4-80.4-78.9000111.5
49H36.9Very low34.5Very low157 Ų157149 Ų14973%0.72779%0.788SS**  trans-68.4134.3159.5-101.1-56.4000110.4S47 N51S47-H49 VanDerWaalsContact C-N 3.26Å; S47-H49 PolarHBondContact O-N 3.15Å; H49-N51 VanDerWaalsContact C-N 3.31Å; H49-N51 PolarHBondContact O-N 3.07Å
50S33.1Very low34.7Very low110 Ų110149.5 Ų149.577%0.76979%0.789SS**  trans-77.568.5-171.6-63.50000113.5S52S50-S52 PolarHBondContact O-N 3.39Å
51N31Very low35.1Very low154 Ų154152.4 Ų152.482%0.82480%0.796SS**  trans-74.775.3170.4-77.7-7.1000111.1H49 E53H49-N51 VanDerWaalsContact C-N 3.31Å; H49-N51 PolarHBondContact O-N 3.07Å; N51-E53 PolarHBondContact O-N 3.38Å
52S36.2Very low35.1Very low115 Ų115152.9 Ų152.980%0.80480%0.798SS**  trans-88.426.9171.867.30000113.6S50S50-S52 PolarHBondContact O-N 3.39Å
53E37.3Very low35.4Very low166 Ų166158 Ų15878%0.77680%0.802SS**SBendtrans-130.696.8175.2-64.2-169.1150.900108.5N51N51-E53 PolarHBondContact O-N 3.38Å
54N36.6Very low35.4Very low141 Ų141158.6 Ų158.675%0.75481%0.807SS**  trans170.1-7.8157.4-92.3-34.8000114.3M56N54-M56 PolarHBondContact O-N 3.48Å
55F35.6Very low35.9Very low195 Ų195159.8 Ų159.886%0.85581%0.812SS**THydrogen-bonded Turntrans-74.340.3-178-155.3-95.9000114.8
56M40.7Very low35.9Very low152 Ų152158.4 Ų158.475%0.74981%0.808SS**THydrogen-bonded Turntrans-1394.1-174.8-72.7-66.3-73.400115.5N54N54-M56 PolarHBondContact O-N 3.48Å
57N36.7Very low36Very low137 Ų137162.6 Ų162.673%0.73382%0.821SS**SBendtrans-109.5-1.2-170.9-78.4-16.4000117
58E38.4Very low36.3Very low189 Ų189163.8 Ų163.888%0.88382%0.824SS**SBendtrans-115.8-15.1-176.6-85.4-177.5130.400116.6L60E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.78Å
59E37.6Very low36.2Very low189 Ų189158.9 Ų158.988%0.88382%0.817SS**THydrogen-bonded Turntrans-92.922.9-173.1-133-178.3147.200114.6
60L37.1Very low36.6Very low164 Ų164157.4 Ų157.486%0.85982%0.819SS**THydrogen-bonded Turntrans-134.725-172.4-126.2148000114.3E58E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.78Å
61K38.1Very low37Very low199 Ų199161.8 Ų161.887%0.86582%0.824SS**SBendtrans-126.415.2-178.3-92.3-175.5176177.20116
62Q37.5Very low37.3Very low187 Ų187162 Ų16287%0.87483%0.826SS**SBendtrans-130.553.6-178.8-63.1-172.616.100113.3
63Q34.7Very low37.5Very low184 Ų184161.4 Ų161.486%0.8683%0.827SS**  trans-157.134.6170.3-126.3166.245.100116.8
64D34.1Very low37.8Very low168 Ų168162.1 Ų162.190%0.89883%0.83SS**  trans-108.479.3170.8-83.1-45.9000111.9
65H41.7Very low37.8Very low179 Ų179165.1 Ų165.183%0.82983%0.831SS**  trans-116.1103.6167.3-72.4-53.7000110.9
66S32.3Very low38.1Very low112 Ų112159.5 Ų159.578%0.78383%0.828SS**  trans4397.8151.661.30000118.5
67F34Very low38Very low205 Ų205160.5 Ų160.590%0.89983%0.825SS**  trans-147.4110.4137.4-143.8-96.8000112.7S69F67-S69 PolarHBondContact O-N 3.25Å
68T38.5Very low38.5Very low123 Ų123160 Ų16076%0.75583%0.826SS**  trans-75.7114.5175.434.80000110.6T70T68-T70 PolarHBondContact O-N 3.43Å
69S33.3Very low38.9Very low111 Ų111156.8 Ų156.878%0.77682%0.82SS**  trans-86.685.8174.3-171.70000111F67F67-S69 PolarHBondContact O-N 3.25Å
70T44.3Very low39.5Very low126 Ų126157.1 Ų157.177%0.77382%0.818SS**  trans-94.8117.5162.244.80000109.8T68 N72T68-T70 PolarHBondContact O-N 3.43Å; T70-N72 PolarHBondContact O-N 3Å
71K42.3Very low39.8Very low202 Ų202158.5 Ų158.588%0.87882%0.818SS**  trans-65.6122.3177.8-63.1167-178.7171.10109.3
72N36.7Very low40.2Very low159 Ų159158.3 Ų158.385%0.8582%0.819SS**  trans-138.8112.9159.8-116.3-16.6000110.6T70T70-N72 PolarHBondContact O-N 3Å
73A39.3Very low40.9Very low101 Ų101158.4 Ų158.484%0.83582%0.82SS**  trans-95.7103.4-179.800000110
74Q44.9Very low41.4Very low181 Ų181159 Ų15985%0.84682%0.819SS**  trans-128.478.2169.1-78.6-170.4-23.900112G76Q74-G76 PolarHBondContact O-N 3.41Å
75R36.4Very low41.4Very low205 Ų205157 Ų15777%0.77482%0.818SS**  24.885.1128.2-159.5177.7-165.8-162-1.6116.6Y77R75-Y77 HydrophobicContact CG-CD2 4.17Å; R75-Y77 HydrophobicContact CG-CE2 3.73Å; R75-Y77 PolarHBondContact NE-OH 2.93Å; R75-Y77 VanDerWaalsContact NE-OH 3.15Å; R75-Y77 PolarHBondContact NH2-OH 3.37Å
76G41.9Very low41.6Very low77 Ų77153.2 Ų153.279%0.79482%0.817SS**  trans-103.3102.9164.600000111.7Q74Q74-G76 PolarHBondContact O-N 3.41Å
77Y39.3Very low42.1Very low173 Ų173154.4 Ų154.468%0.67882%0.82SS**  trans-81.5124.8169-69.6-76000110.1R75R75-Y77 HydrophobicContact CG-CD2 4.17Å; R75-Y77 HydrophobicContact CG-CE2 3.73Å; R75-Y77 PolarHBondContact NE-OH 2.93Å; R75-Y77 VanDerWaalsContact NE-OH 3.15Å; R75-Y77 PolarHBondContact NH2-OH 3.37Å
78V45.8Very low43Very low126 Ų126149.5 Ų149.576%0.76481%0.811SS**  trans-12299.6163.4-179.70000108.5K80V78-K80 PolarHBondContact O-N 3.45Å
79T46.4Very low43.3Very low122 Ų122151.2 Ų151.275%0.74882%0.815SS**  trans-82.7106.7172.443.60000109.6K81T79-K81 PolarHBondContact O-N 3.2Å
80K50.4Low43.9Very low195 Ų195151.8 Ų151.885%0.84882%0.82SS**  trans-83.3106.9164.3-76.3-170.6175.2-176.70108.7V78V78-K80 PolarHBondContact O-N 3.45Å
81K44.9Very low44.1Very low194 Ų194152.3 Ų152.384%0.84382%0.822SS**  trans-62.6140.3175-74.8177.5173.6176.50110.3T79 Q83T79-K81 PolarHBondContact O-N 3.2Å; K81-Q83 PolarHBondContact O-N 3.39Å
82H45.8Very low44.2Very low195 Ų195147.7 Ų147.790%0.90382%0.815SS**  trans-59.2132.7163.8-77.7-98.4000109.9
83Q52.1Low44.9Very low188 Ų188145.6 Ų145.688%0.87981%0.813SS**  trans-106.1129.6158.7-166.7158.22.200108.2K81K81-Q83 PolarHBondContact O-N 3.39Å
84K45.1Very low45.2Very low197 Ų197150 Ų15086%0.85782%0.817SS**  trans-87.9122.6-168.2-176.2179-179.5-178.80109.5
85C34.6Very low45.1Very low127 Ų127147.2 Ų147.286%0.85882%0.815SS**  trans-70.6139.7171.2-57.90000110.1
86A46.5Very low45.4Very low99 Ų99147.4 Ų147.482%0.81882%0.822SS**  trans-124.2141.4167.900000109.1
87T42.6Very low45.9Very low136 Ų136151 Ų15183%0.83482%0.821SS**  trans-63.4141.1-175.6470000114.5
88S52.5Low46.4Very low103 Ų103149.9 Ų149.972%0.7282%0.822SS**  174.3118.4115.554.90000113.1
89D44.4Very low46.4Very low158 Ų158150.6 Ų150.685%0.84583%0.83SS**  trans25.5121.1134.8-42.6-32.4000121
90S45.9Very low46.7Very low124 Ų124148.6 Ų148.687%0.86782%0.821SS**  trans-162.3132.1132.355.40000113.3
91V49.2Very low46.9Very low137 Ų137146.6 Ų146.683%0.8382%0.818SS**  trans-66.2158-172.7-168.40000114.9
92S43.7Very low47.3Very low105 Ų105144.4 Ų144.473%0.73482%0.821SS**  trans76.9115.3148.9-1080000120.9
93S50.9Low48.1Very low114 Ų114139.7 Ų139.780%0.79781%0.806SS**  173.2144.594.8-71.10000112.6
94Q46.5Very low48.3Very low195 Ų195136.2 Ų136.291%0.91180%0.799SS**  trans-69.8145.3176.5-108.3118-34.400113.9
95C42.5Very low48.6Very low121 Ų121132.7 Ų132.782%0.81880%0.795SS**  trans-152.6153.6142.557.50000112.1
96F41.9Very low49.6Very low209 Ų209129.4 Ų129.492%0.91778%0.782SS**  trans-72.1138.1-172.7-87.2-122.9000113.6
97I53.2Low50.2Low152 Ų152132 Ų13278%0.77978%0.781SS**  trans-141.1117.3154.4-59.2-175.8000110.6
98E50Low50.9Low150 Ų150136.4 Ų136.470%0.70178%0.782SS**  trans29.1128.3142.1-155.5168.8-146.800121.5S100E98-S100 PolarHBondContact O-N 2.82Å
99P45.3Very low51.1Low142 Ų142142.4 Ų142.492%0.92279%0.789SS**  trans-76.471.9171.634.4-34.9000111.3
100S52.5Low51.5Low79 Ų79146.6 Ų146.655%0.55279%0.793SS**  trans-93.3133.3175.363.90000111.8E98E98-S100 PolarHBondContact O-N 2.82Å
101L54.7Low52.7Low153 Ų153143.2 Ų143.280%0.80178%0.777SS**  trans49.391.8160.2-57.5174.2000116.4V103L101-V103 HydrophobicContact CB-CG2 4.36Å; L101-V103 PolarHBondContact O-N 2.82Å
102V54.3Low53.9Low148 Ų148142.7 Ų142.790%0.89778%0.777SS**  trans-64.783.9151.7-178.40000108.1P104V102-P104 WeakPolarHBondContact O-CD 3.36Å
103V61.6Low54.9Low96 Ų96147.2 Ų147.258%0.58278%0.784SS**  trans-61.9123162.7176.10000106L101 T105L101-V103 HydrophobicContact CB-CG2 4.36Å; L101-V103 PolarHBondContact O-N 2.82Å; V103-T105 VanDerWaalsContact C-N 3.28Å; V103-T105 HydrophobicContact CG1-CG2 4.46Å; V103-T105 PolarHBondContact O-N 3.13Å
104P56.8Low55.9Low115 Ų115151.6 Ų151.675%0.74779%0.788SS**  trans-68.396.1170.113.8-7.6000107.5V102 G106V102-P104 WeakPolarHBondContact O-CD 3.36Å; P104-G106 PolarHBondContact O-N 3.33Å
105T51Low57.3Low124 Ų124151.4 Ų151.476%0.76178%0.784SS**  trans-71.238166.450.20000111.1V103 I107V103-T105 VanDerWaalsContact C-N 3.28Å; V103-T105 HydrophobicContact CG1-CG2 4.46Å; V103-T105 PolarHBondContact O-N 3.13Å; T105-I107 VanDerWaalsContact C-N 3.3Å; T105-I107 PolarHBondContact O-N 3.06Å
106G56.2Low58.9Low58 Ų58151.7 Ų151.760%0.59879%0.785SS**  trans-6099.3158.700000107.3P104 R108P104-G106 PolarHBondContact O-N 3.33Å; G106-R108 PolarHBondContact O-N 2.93Å
107I58.8Low60.7Low154 Ų154145.5 Ų145.579%0.7976%0.761SS**  trans-59.491168.7-61.8173000105.7T105 R109T105-I107 VanDerWaalsContact C-N 3.3Å; T105-I107 PolarHBondContact O-N 3.06Å; I107-R109 PolarHBondContact O-N 2.86Å
108R56.7Low62.3Low228 Ų228141.6 Ų141.686%0.8675%0.747SS**  trans-59.993.8171.6-75-173.1175.5-131-0.2106G106 R110G106-R108 PolarHBondContact O-N 2.93Å; R108-R110 PolarHBondContact O-N 3.35Å
109R56.4Low64.1Low228 Ų228141 Ų14186%0.8674%0.744SS**  trans-51.5109.8176.4-73.9-166.6178.3-173.84.1105.7I107 G111I107-R109 PolarHBondContact O-N 2.86Å; R109-G111 PolarHBondContact O-N 2.6Å
110R53Low66.3Low247 Ų247140 Ų14093%0.93273%0.728SS**  trans-71.286.7-175.5-68.3-176.8178-172.6-1.2106.6R108R108-R110 PolarHBondContact O-N 3.35Å
111G71.2Confident68.2Low52 Ų52143.7 Ų143.754%0.53673%0.729SS.*  trans-52.2156.5171.100000110R109 K113R109-G111 PolarHBondContact O-N 2.6Å; G111-K113 PolarHBondContact O-N 2.75Å; G111-K113 VanDerWaalsContact O-N 3.09Å
112P74.8Confident70Confident126 Ų126138.5 Ų138.582%0.81870%0.704SS**  trans-45.5122.2-175.6-29.334.9000110.8K114P112-K114 PolarHBondContact O-N 2.77Å
113K64Low71.9Confident201 Ų201134.7 Ų134.787%0.87468%0.681SS**  trans-50.9107.9-179-87.5-173.9172.1-176.70108.1G111 K115G111-K113 PolarHBondContact O-N 2.75Å; G111-K113 VanDerWaalsContact O-N 3.09Å; K113-K115 PolarHBondContact O-N 2.8Å
114K72.9Confident73.5Confident205 Ų205135.9 Ų135.989%0.89168%0.675SS**  trans-56.2114.5175.9-72.1-176.8176.7179.50106.8P112P112-K114 PolarHBondContact O-N 2.77Å
115K75.3Confident75.3Confident192 Ų192134.3 Ų134.384%0.83566%0.659SS**PPolyproline II helixtrans-57.2139.6173.8-68.2-177.9178.7179.20107.4K113 D117K113-K115 PolarHBondContact O-N 2.8Å; K115-D117 PolarHBondContact O-N 3.13Å
116P76.5Confident77.5Confident127 Ų127135 Ų13583%0.82565%0.651SS**PPolyproline II helixtrans-55.4139.717126.4-34000108.2
117D79Confident79.4Confident78 Ų78137.4 Ų137.442%0.41765%0.648SS.*PPolyproline II helixtrans-69.1147.5-174.7-164.617000110.7K115 Q119 R121 V122K115-D117 PolarHBondContact O-N 3.13Å; D117-Q119 PolarHBondContact O-N 2.83Å; D117-R121 VanDerWaalsContact OD1-CB 3.27Å; D117-R121 WeakPolarHBondContact OD1-CB 3.43Å; D117-R121 WeakPolarHBondContact OD1-CD 3.33Å; D117-R121 IonicContact OD1-NE 3Å; D117-R121 PolarHBondContact OD1-NE 3.46Å; D117-R121 WeakPolarHBondContact OD2-CB 3.38Å; D117-R121 VanDerWaalsContact OD2-CD 3.25Å; D117-R121 WeakPolarHBondContact OD2-CD 3.22Å; D117-R121 VanDerWaalsContact OD2-CG 3.25Å; D117-R121 WeakPolarHBondContact OD2-CG 3.45Å; D117-V122 HydrophobicContact CB-CG2 3.8Å
118S87.1Confident81.2Confident71 Ų71138.2 Ų138.250%0.49764%0.641SS.*PPolyproline II helixtrans-62.4136175174.10000108.9E120 R121 V122S118-E120 PolarHBondContact O-N 3.42Å; S118-E120 VanDerWaalsContact O-N 3.08Å; S118-E120 PolarHBondContact OG-N 3.41Å; S118-R121 WeakPolarHBondContact O-CA 3.41Å; S118-R121 PolarHBondContact O-N 2.89Å; S118-V122 PolarHBondContact O-N 2.85Å
119Q89.2Confident83.1Confident136 Ų136135.2 Ų135.264%0.63663%0.63SS**Hα-helixtrans-52.4-35.9178.2-175.867.2-10.800111.6D117 V122 V123D117-Q119 PolarHBondContact O-N 2.83Å; Q119-V122 PolarHBondContact O-N 3.11Å; Q119-V123 VanDerWaalsContact O-CG2 3.32Å; Q119-V123 WeakPolarHBondContact O-CG2 3.42Å; Q119-V123 PolarHBondContact O-N 2.81Å
120E90.6Very high85.1Confident122 Ų122127 Ų12757%0.5761%0.61SS**Hα-helixtrans-63.3-42174.5-161.7-152.5167.300112.7S118 V123 R124S118-E120 PolarHBondContact O-N 3.42Å; S118-E120 VanDerWaalsContact O-N 3.08Å; S118-E120 PolarHBondContact OG-N 3.41Å; E120-V123 PolarHBondContact O-N 2.6Å; E120-R124 VanDerWaalsContact O-CB 3.27Å; E120-R124 WeakPolarHBondContact O-CB 3.25Å; E120-R124 PolarHBondContact O-N 2.87Å; E120-R124 IonicContact OE1-CZ 3.81Å; E120-R124 IonicContact OE1-NH2 2.81Å; E120-R124 PolarHBondContact OE1-NH2 2.72Å; E120-R124 IonicContact OE2-NH2 3.18Å; E120-R124 PolarHBondContact OE2-NH2 3.12Å
121R92.1Very high87.2Confident156 Ų156123 Ų12359%0.58960%0.596SS**Hα-helixtrans-69-38.2175.4-173.2-175.4-53.4-147.8-3.9110.8D117 S118 R124 M125D117-R121 VanDerWaalsContact OD1-CB 3.27Å; D117-R121 WeakPolarHBondContact OD1-CB 3.43Å; D117-R121 WeakPolarHBondContact OD1-CD 3.33Å; D117-R121 IonicContact OD1-NE 3Å; D117-R121 PolarHBondContact OD1-NE 3.46Å; D117-R121 WeakPolarHBondContact OD2-CB 3.38Å; D117-R121 VanDerWaalsContact OD2-CD 3.25Å; D117-R121 WeakPolarHBondContact OD2-CD 3.22Å; D117-R121 VanDerWaalsContact OD2-CG 3.25Å; D117-R121 WeakPolarHBondContact OD2-CG 3.45Å; S118-R121 WeakPolarHBondContact O-CA 3.41Å; S118-R121 PolarHBondContact O-N 2.89Å; R121-R124 PolarHBondContact O-N 3.05Å; R121-M125 VanDerWaalsContact O-CB 3.25Å; R121-M125 WeakPolarHBondContact O-CB 3.45Å; R121-M125 PolarHBondContact O-N 3.19Å
122V93Very high88.4Confident44 Ų44122.2 Ų122.227%0.26758%0.584SS.*Hα-helixtrans-59.7-47.2174.2177.70000110.6D117 S118 Q119 M125 K126D117-V122 HydrophobicContact CB-CG2 3.8Å; S118-V122 PolarHBondContact O-N 2.85Å; Q119-V122 PolarHBondContact O-N 3.11Å; V122-M125 PolarHBondContact O-N 3.47Å; V122-K126 WeakPolarHBondContact O-CG 3.49Å; V122-K126 PolarHBondContact O-N 3.16Å
123V94.7Very high89.6Confident69 Ų69120.7 Ų120.742%0.41857%0.569SS.*Hα-helixtrans-62.2-46.9175.3170.40000111.1Q119 E120 M125 K126 M127Q119-V123 VanDerWaalsContact O-CG2 3.32Å; Q119-V123 WeakPolarHBondContact O-CG2 3.42Å; Q119-V123 PolarHBondContact O-N 2.81Å; E120-V123 PolarHBondContact O-N 2.6Å; V123-M125 VanDerWaalsContact C-N 3.27Å; V123-M125 PolarHBondContact O-N 3.26Å; V123-K126 WeakPolarHBondContact O-CB 3.36Å; V123-K126 PolarHBondContact O-N 3.25Å; V123-M127 PolarHBondContact O-N 3.35Å
124R94.8Very high91.2Very high121 Ų121113.2 Ų113.246%0.45755%0.545SS..Hα-helixtrans-61.3-35.4177.3-162.4-175.9-61.8162.7-1.1112.2E120 R121 R128E120-R124 VanDerWaalsContact O-CB 3.27Å; E120-R124 WeakPolarHBondContact O-CB 3.25Å; E120-R124 PolarHBondContact O-N 2.87Å; E120-R124 IonicContact OE1-CZ 3.81Å; E120-R124 IonicContact OE1-NH2 2.81Å; E120-R124 PolarHBondContact OE1-NH2 2.72Å; E120-R124 IonicContact OE2-NH2 3.18Å; E120-R124 PolarHBondContact OE2-NH2 3.12Å; R121-R124 PolarHBondContact O-N 3.05Å; R124-R128 VanDerWaalsContact O-CG 3.32Å; R124-R128 WeakPolarHBondContact O-CG 3.37Å; R124-R128 PolarHBondContact O-N 2.75Å
125M94.2Very high92.4Very high81 Ų81110.8 Ų110.840%0.39953%0.53SS..Hα-helixtrans-70-44.3174.3-175.662.771.700111.6R121 V122 V123 M127 R128 R129R121-M125 VanDerWaalsContact O-CB 3.25Å; R121-M125 WeakPolarHBondContact O-CB 3.45Å; R121-M125 PolarHBondContact O-N 3.19Å; V122-M125 PolarHBondContact O-N 3.47Å; V123-M125 VanDerWaalsContact C-N 3.27Å; V123-M125 PolarHBondContact O-N 3.26Å; M125-M127 VanDerWaalsContact C-N 3.34Å; M125-M127 PolarHBondContact O-N 2.97Å; M125-R128 PolarHBondContact O-N 2.57Å; M125-R129 WeakPolarHBondContact O-CG 3.5Å; M125-R129 PolarHBondContact O-N 3.21Å
126K96.6Very high93.5Very high138 Ų138105.5 Ų105.560%0.651%0.508SS*.Hα-helixtrans-56.6-46.8172.4-75.2179.1176.4-174.80111V122 V123 R128 R129 A130V122-K126 WeakPolarHBondContact O-CG 3.49Å; V122-K126 PolarHBondContact O-N 3.16Å; V123-K126 WeakPolarHBondContact O-CB 3.36Å; V123-K126 PolarHBondContact O-N 3.25Å; K126-R128 PolarHBondContact O-N 2.79Å; K126-R129 PolarHBondContact O-N 3.14Å; K126-A130 WeakPolarHBondContact O-CB 3.37Å; K126-A130 PolarHBondContact O-N 3.38Å
127M95.8Very high94.6Very high110 Ų110107.1 Ų107.154%0.54250%0.498SS..Hα-helixtrans-63.3-41.7178.8-174.853.9169.700112.7V123 M125 R129 A130 R131V123-M127 PolarHBondContact O-N 3.35Å; M125-M127 VanDerWaalsContact C-N 3.34Å; M125-M127 PolarHBondContact O-N 2.97Å; M127-R129 PolarHBondContact O-N 3.49Å; M127-A130 PolarHBondContact O-N 2.87Å; M127-R131 PolarHBondContact O-N 3.26Å
128R97.6Very high95.5Very high170 Ų170107.3 Ų107.364%0.64251%0.505SS*.Hα-helixtrans-61.2-42.2173.8-75.8174178.4-166.5-2.2112.2R124 M125 K126 A132R124-R128 VanDerWaalsContact O-CG 3.32Å; R124-R128 WeakPolarHBondContact O-CG 3.37Å; R124-R128 PolarHBondContact O-N 2.75Å; M125-R128 PolarHBondContact O-N 2.57Å; K126-R128 PolarHBondContact O-N 2.79Å; R128-A132 WeakPolarHBondContact O-CB 3.33Å; R128-A132 PolarHBondContact O-N 3.19Å
129R97Very high96Very high165 Ų165111.8 Ų111.862%0.62351%0.511SS*.Hα-helixtrans-64.5-45.8174.7-70174.8-178-169.3-0.9111.8M125 K126 M127 R131 A132 N133M125-R129 WeakPolarHBondContact O-CG 3.5Å; M125-R129 PolarHBondContact O-N 3.21Å; K126-R129 PolarHBondContact O-N 3.14Å; M127-R129 PolarHBondContact O-N 3.49Å; R129-R131 PolarHBondContact O-N 2.9Å; R129-A132 PolarHBondContact O-N 3.42Å; R129-A132 VanDerWaalsContact O-N 3.16Å; R129-N133 VanDerWaalsContact O-CG 3.26Å; R129-N133 PolarHBondContact O-N 3.49Å; R129-N133 PolarHBondContact O-OD1 3.28Å
130A97Very high96.4Very high55 Ų55108.6 Ų108.646%0.45550%0.497SS..Hα-helixtrans-58.4-47177.300000111.8K126 M127 A132 N133 A134K126-A130 WeakPolarHBondContact O-CB 3.37Å; K126-A130 PolarHBondContact O-N 3.38Å; M127-A130 PolarHBondContact O-N 2.87Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 3.18Å; A130-N133 PolarHBondContact O-N 2.88Å; A130-A134 PolarHBondContact O-N 3.42Å
131R97.6Very high96.8Very high165 Ų165108.7 Ų108.762%0.62350%0.497SS*.Hα-helixtrans-64.4-35175.5-169.8-178.3-77.4-171.8-5.6112.6M127 R129 R135M127-R131 PolarHBondContact O-N 3.26Å; R129-R131 PolarHBondContact O-N 2.9Å; R131-R135 WeakPolarHBondContact O-CG 3.4Å; R131-R135 PolarHBondContact O-N 3.02Å; R131-R135 PolarHBondContact O-NH1 3.26Å
132A97.8Very high97Very high34 Ų34103.3 Ų103.328%0.28149%0.491SS..Hα-helixtrans-67.1-46.1174.500000112R128 R129 A130 A134 R135 E136R128-A132 WeakPolarHBondContact O-CB 3.33Å; R128-A132 PolarHBondContact O-N 3.19Å; R129-A132 PolarHBondContact O-N 3.42Å; R129-A132 VanDerWaalsContact O-N 3.16Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 3.18Å; A132-A134 VanDerWaalsContact C-N 3.29Å; A132-A134 PolarHBondContact O-N 3.46Å; A132-R135 PolarHBondContact O-N 3.39Å; A132-E136 PolarHBondContact O-N 3.05Å
133N98.4Very high97.2Very high94 Ų94105.5 Ų105.550%0.50350%0.5SS..Hα-helixtrans-62-36.7176.8-66.70.4000111.9R129 A130 E136 R137R129-N133 VanDerWaalsContact O-CG 3.26Å; R129-N133 PolarHBondContact O-N 3.49Å; R129-N133 PolarHBondContact O-OD1 3.28Å; A130-N133 PolarHBondContact O-N 2.88Å; N133-E136 PolarHBondContact O-N 2.97Å; N133-R137 WeakPolarHBondContact O-CG 3.32Å; N133-R137 PolarHBondContact O-N 2.74Å
134A98.4Very high97.3Very high45 Ų45104.6 Ų104.637%0.37249%0.493SS..Hα-helixtrans-61.4-46.6173.900000112A130 A132 E136 R137 S138A130-A134 PolarHBondContact O-N 3.42Å; A132-A134 VanDerWaalsContact C-N 3.29Å; A132-A134 PolarHBondContact O-N 3.46Å; A134-E136 PolarHBondContact O-N 3.16Å; A134-R137 PolarHBondContact O-N 2.94Å; A134-S138 PolarHBondContact O-N 2.95Å; A134-S138 VanDerWaalsContact O-N 3.09Å; A134-S138 PolarHBondContact O-OG 3.36Å
135R98.4Very high97.2Very high153 Ų153102.5 Ų102.558%0.57750%0.497SS*.Hα-helixtrans-60.5-42.7175.9-67.3-168.7-51-86.35.5112.5R131 A132 R137 S138 R139R131-R135 WeakPolarHBondContact O-CG 3.4Å; R131-R135 PolarHBondContact O-N 3.02Å; R131-R135 PolarHBondContact O-NH1 3.26Å; A132-R135 PolarHBondContact O-N 3.39Å; R135-R137 VanDerWaalsContact C-N 3.35Å; R135-R137 PolarHBondContact O-N 3.43Å; R135-S138 PolarHBondContact O-N 3.3Å; R135-R139 PolarHBondContact O-N 3.43Å
136E98.4Very high97.3Very high82 Ų82101.7 Ų101.738%0.38350%0.503SS..Hα-helixtrans-66-36.9179.1-176.657.7-162.300112A132 N133 A134 R139 M140A132-E136 PolarHBondContact O-N 3.05Å; N133-E136 PolarHBondContact O-N 2.97Å; A134-E136 PolarHBondContact O-N 3.16Å; E136-R139 PolarHBondContact O-N 3.39Å; E136-R139 IonicContact OE1-CZ 3.73Å; E136-R139 IonicContact OE1-NH1 2.61Å; E136-R139 PolarHBondContact OE1-NH1 2.84Å; E136-R139 WeakPolarHBondContact OE2-CD 3.22Å; E136-R139 IonicContact OE2-CZ 3.9Å; E136-R139 IonicContact OE2-NH1 2.91Å; E136-R139 PolarHBondContact OE2-NH1 3.44Å; E136-M140 WeakPolarHBondContact O-CB 3.33Å; E136-M140 WeakPolarHBondContact O-CG 3.25Å; E136-M140 PolarHBondContact O-N 2.77Å
137R98.4Very high97.1Very high161 Ų16195.8 Ų95.861%0.60848%0.478SS*.Hα-helixtrans-59.5-49.3170.6-71175.6-170.3139.7-2.7111.3N133 A134 R135 R139 M140 H141N133-R137 WeakPolarHBondContact O-CG 3.32Å; N133-R137 PolarHBondContact O-N 2.74Å; A134-R137 PolarHBondContact O-N 2.94Å; R135-R137 VanDerWaalsContact C-N 3.35Å; R135-R137 PolarHBondContact O-N 3.43Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R137-R139 PolarHBondContact O-N 3.25Å; R137-M140 CarbonylContact O-C 3.6Å; R137-M140 PolarHBondContact O-N 2.92Å; R137-M140 VanDerWaalsContact O-N 3.13Å; R137-H141 PolarHBondContact O-CD2 3.24Å; R137-H141 PolarHBondContact O-N 3.04Å
138S98.3Very high96.9Very high82 Ų8293.3 Ų93.357%0.57347%0.467SS*.Hα-helixtrans-57.8-43.3177.9-57.70000112.4A134 R135 H141 G142A134-S138 PolarHBondContact O-N 2.95Å; A134-S138 VanDerWaalsContact O-N 3.09Å; A134-S138 PolarHBondContact O-OG 3.36Å; R135-S138 PolarHBondContact O-N 3.3Å; S138-H141 PolarHBondContact O-N 3.38Å; S138-G142 PolarHBondContact O-N 3.25Å; S138-G142 VanDerWaalsContact O-N 3.11Å
139R98.5Very high96.6Very high165 Ų16587.1 Ų87.162%0.62345%0.453SS*.Hα-helixtrans-59.5-46.4173.1174177.4166.9-124.11112R135 E136 R137 H141 G142 L143R135-R139 PolarHBondContact O-N 3.43Å; E136-R139 PolarHBondContact O-N 3.39Å; E136-R139 IonicContact OE1-CZ 3.73Å; E136-R139 IonicContact OE1-NH1 2.61Å; E136-R139 PolarHBondContact OE1-NH1 2.84Å; E136-R139 WeakPolarHBondContact OE2-CD 3.22Å; E136-R139 IonicContact OE2-CZ 3.9Å; E136-R139 IonicContact OE2-NH1 2.91Å; E136-R139 PolarHBondContact OE2-NH1 3.44Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R137-R139 PolarHBondContact O-N 3.25Å; R139-H141 VanDerWaalsContact C-N 3.35Å; R139-H141 PolarHBondContact O-N 2.83Å; R139-G142 PolarHBondContact O-N 3.35Å; R139-L143 PolarHBondContact O-N 3.46Å; R139-L143 VanDerWaalsContact O-N 3.08Å
140M98Very high96.3Very high69 Ų6982 Ų8234%0.3444%0.437SS..Hα-helixtrans-67.1-32.2178.6-74.7-59.3-59.600113.2E136 R137 N144E136-M140 WeakPolarHBondContact O-CB 3.33Å; E136-M140 WeakPolarHBondContact O-CG 3.25Å; E136-M140 PolarHBondContact O-N 2.77Å; R137-M140 CarbonylContact O-C 3.6Å; R137-M140 PolarHBondContact O-N 2.92Å; R137-M140 VanDerWaalsContact O-N 3.13Å; M140-N144 WeakPolarHBondContact O-CB 3.47Å; M140-N144 PolarHBondContact O-N 3.12Å; M140-N144 PolarHBondContact O-ND2 3.15Å
141H97.3Very high96Very high123 Ų12381.5 Ų81.557%0.56942%0.423SS*.Hα-helixtrans-63.2-47.4170.4-74.2-66.6000111.1R137 S138 R139 L143 N144 S145R137-H141 PolarHBondContact O-CD2 3.24Å; R137-H141 PolarHBondContact O-N 3.04Å; S138-H141 PolarHBondContact O-N 3.38Å; R139-H141 VanDerWaalsContact C-N 3.35Å; R139-H141 PolarHBondContact O-N 2.83Å; H141-L143 VanDerWaalsContact C-N 3.34Å; H141-L143 PolarHBondContact O-N 3.26Å; H141-N144 PolarHBondContact O-N 3.21Å; H141-N144 VanDerWaalsContact O-N 3.16Å; H141-S145 PolarHBondContact O-N 2.92Å; H141-S145 PolarHBondContact O-OG 3.46Å
142G96.7Very high95.5Very high44 Ų4480.4 Ų80.445%0.45443%0.425SS..Hα-helixtrans-56.9-43.3175.600000113.5S138 R139 S145 A146S138-G142 PolarHBondContact O-N 3.25Å; S138-G142 VanDerWaalsContact O-N 3.11Å; R139-G142 PolarHBondContact O-N 3.35Å; G142-S145 PolarHBondContact O-N 3.12Å; G142-A146 PolarHBondContact O-N 3.06Å
143L97Very high95.1Very high89 Ų8985.4 Ų85.447%0.46644%0.442SS..Hα-helixtrans-63-44.2175.1-174.8157.5000112.1R139 H141 A146 L147R139-L143 PolarHBondContact O-N 3.46Å; R139-L143 VanDerWaalsContact O-N 3.08Å; H141-L143 VanDerWaalsContact C-N 3.34Å; H141-L143 PolarHBondContact O-N 3.26Å; L143-A146 PolarHBondContact O-N 3.41Å; L143-L147 PolarHBondContact O-N 2.81Å
144N96.2Very high94.4Very high51 Ų5181 Ų8127%0.27342%0.419SS..Hα-helixtrans-64.6-40.8177.6-69.8-28.8000111.5M140 H141 A146 L147 D148 K222M140-N144 WeakPolarHBondContact O-CB 3.47Å; M140-N144 PolarHBondContact O-N 3.12Å; M140-N144 PolarHBondContact O-ND2 3.15Å; H141-N144 PolarHBondContact O-N 3.21Å; H141-N144 VanDerWaalsContact O-N 3.16Å; N144-A146 PolarHBondContact O-N 2.93Å; N144-L147 WeakPolarHBondContact O-CB 3.31Å; N144-L147 PolarHBondContact O-N 3.33Å; N144-D148 PolarHBondContact O-N 2.95Å; N144-K222 WeakPolarHBondContact OD1-CE 3.36Å; N144-K222 PolarHBondContact OD1-NZ 3.29Å
145S94.2Very high93.5Very high77 Ų7780.2 Ų80.254%0.53841%0.41SS..Hα-helixtrans-62-40.2174.9-61.80000112.3H141 G142 L147 D148 A149H141-S145 PolarHBondContact O-N 2.92Å; H141-S145 PolarHBondContact O-OG 3.46Å; G142-S145 PolarHBondContact O-N 3.12Å; S145-L147 VanDerWaalsContact C-N 3.34Å; S145-D148 PolarHBondContact O-N 3.24Å; S145-A149 PolarHBondContact O-N 2.89Å
146A95.9Very high91.8Very high63 Ų6375.6 Ų75.652%0.52140%0.401SS..Hα-helixtrans-64.8-37.3174.200000112.4G142 L143 N144 A149 L150G142-A146 PolarHBondContact O-N 3.06Å; L143-A146 PolarHBondContact O-N 3.41Å; N144-A146 PolarHBondContact O-N 2.93Å; A146-A149 PolarHBondContact O-N 3.21Å; A146-L150 PolarHBondContact O-N 3.29Å
147L92.9Very high89.7Confident15 Ų1572 Ų728%0.07939%0.386CS..Hα-helixtrans-68.4-37.1174.2-171.173.6000112.2L143 N144 S145 L150 R151 K222 T225 L226L143-L147 PolarHBondContact O-N 2.81Å; N144-L147 WeakPolarHBondContact O-CB 3.31Å; N144-L147 PolarHBondContact O-N 3.33Å; S145-L147 VanDerWaalsContact C-N 3.34Å; L147-L150 HydrophobicContact CD1-CD2 4.47Å; L147-L150 PolarHBondContact O-N 3.2Å; L147-R151 WeakPolarHBondContact O-CG 3.43Å; L147-R151 PolarHBondContact O-N 2.84Å; L147-R151 VanDerWaalsContact O-N 3.13Å; L147-K222 HydrophobicContact CD2-CB 4.06Å; L147-K222 HydrophobicContact CD2-CD 4.05Å; L147-K222 HydrophobicContact CD2-CG 3.66Å; L147-T225 HydrophobicContact CD1-CG2 3.72Å; L147-T225 HydrophobicContact CG-CG2 4.19Å; L147-L226 HydrophobicContact CD1-CD2 4.29Å; L147-L226 HydrophobicContact CD1-CG 4.4Å
148D90.5Very high87.8Confident57 Ų5764.9 Ų64.931%0.30536%0.36SS..Hα-helixtrans-70.4-32.1174.2-77.9-32.9000112.3N144 S145 R151N144-D148 PolarHBondContact O-N 2.95Å; S145-D148 PolarHBondContact O-N 3.24Å; D148-R151 PolarHBondContact O-N 3.34Å; D148-R151 IonicContact OD1-CZ 3.76Å; D148-R151 IonicContact OD1-NH1 2.67Å; D148-R151 PolarHBondContact OD1-NH1 3.31Å
149A90.8Very high85.7Confident41 Ų4162.5 Ų62.534%0.33934%0.34SS..Hα-helixtrans-66.2-43.5168.700000111.7S145 A146 R151 Q152 H153S145-A149 PolarHBondContact O-N 2.89Å; A146-A149 PolarHBondContact O-N 3.21Å; A149-R151 PolarHBondContact O-N 3.01Å; A149-Q152 WeakPolarHBondContact O-CB 3.48Å; A149-Q152 PolarHBondContact O-N 2.91Å; A149-H153 PolarHBondContact O-CD2 3.41Å
150L92.5Very high83.3Confident56 Ų5656.2 Ų56.229%0.29333%0.326SS..Hα-helixtrans-57.4-38.1175.1-179.360.8000112.2A146 L147 Q152 H153 I154 T225 L226 A229A146-L150 PolarHBondContact O-N 3.29Å; L147-L150 HydrophobicContact CD1-CD2 4.47Å; L147-L150 PolarHBondContact O-N 3.2Å; L150-Q152 PolarHBondContact O-N 3.41Å; L150-H153 PolarHBondContact O-N 3.44Å; L150-H153 VanDerWaalsContact O-N 3.12Å; L150-I154 PolarHBondContact O-N 2.86Å; L150-T225 HydrophobicContact CD2-CG2 4.31Å; L150-T225 HydrophobicContact CG-CG2 4.48Å; L150-L226 HydrophobicContact CD2-CD2 4.24Å; L150-A229 HydrophobicContact CD1-CB 3.96Å; L150-A229 HydrophobicContact CD2-CB 3.92Å; L150-A229 HydrophobicContact CG-CB 4.14Å
151R90.9Very high80.7Confident46 Ų4654.4 Ų54.417%0.17433%0.326CS..Hα-helixtrans-62.5-24.7176.1-72.7171.6179133.6-4.9114.2L147 D148 A149 L220 T225L147-R151 WeakPolarHBondContact O-CG 3.43Å; L147-R151 PolarHBondContact O-N 2.84Å; L147-R151 VanDerWaalsContact O-N 3.13Å; D148-R151 PolarHBondContact O-N 3.34Å; D148-R151 IonicContact OD1-CZ 3.76Å; D148-R151 IonicContact OD1-NH1 2.67Å; D148-R151 PolarHBondContact OD1-NH1 3.31Å; A149-R151 PolarHBondContact O-N 3.01Å; R151-L220 PolarHBondContact NH2-O 3.05Å; R151-T225 HydrophobicContact CG-CG2 3.5Å; R151-T225 PolarHBondContact NE-OG1 3.03Å; R151-T225 PolarHBondContact NH2-OG1 2.86Å
152Q87.1Confident78Confident141 Ų14158.3 Ų58.366%0.65934%0.337SS*.Hα-helixtrans-76.1-25.8176.1-61.6169.942.100112.2A149 L150A149-Q152 WeakPolarHBondContact O-CB 3.48Å; A149-Q152 PolarHBondContact O-N 2.91Å; L150-Q152 PolarHBondContact O-N 3.41Å
153H87.6Confident75.4Confident139 Ų13959.1 Ų59.164%0.64433%0.33SS*.Hα-helixtrans-89.6-18.3178.8-66.9-65.3000113.9A149 L150 Y232A149-H153 PolarHBondContact O-CD2 3.41Å; L150-H153 PolarHBondContact O-N 3.44Å; L150-H153 VanDerWaalsContact O-N 3.12Å; H153-Y232 VanDerWaalsContact O-CE1 3.32Å; H153-Y232 WeakPolarHBondContact O-CE1 3.27Å
154I85Confident72.5Confident1 Ų159.1 Ų59.11%0.00534%0.338CS..SBendtrans-68.8131.7168.3-63.7172.3000107.6L150 S156 I159 T225 L228 A229L150-I154 PolarHBondContact O-N 2.86Å; I154-S156 PolarHBondContact O-N 3.49Å; I154-I159 HydrophobicContact CB-CD1 4.32Å; I154-I159 HydrophobicContact CG2-CD1 3.58Å; I154-T225 HydrophobicContact CD1-CG2 3.94Å; I154-T225 WeakPolarHBondContact CD1-O 3.4Å; I154-L228 HydrophobicContact CD1-CB 4.45Å; I154-L228 HydrophobicContact CD1-CG 4.4Å; I154-L228 HydrophobicContact CG2-CD2 3.51Å; I154-L228 HydrophobicContact CG2-CG 3.63Å; I154-A229 HydrophobicContact CD1-CB 4.25Å; I154-A229 HydrophobicContact CG1-CB 4.36Å
155P79Confident69.9Low30 Ų3063 Ų6320%0.19535%0.352CS..  trans-56.3117.1-173.7-26.434.2000112.1A157 L158 Y232P155-A157 HydrophobicContact CB-CB 4.03Å; P155-A157 PolarHBondContact O-N 3.28Å; P155-A157 VanDerWaalsContact O-N 3.11Å; P155-L158 HydrophobicContact CB-CD1 3.86Å; P155-L158 HydrophobicContact CG-CD1 4.39Å; P155-L158 PolarHBondContact O-N 2.99Å; P155-Y232 HydrophobicContact CG-CD1 4.37Å; P155-Y232 HydrophobicContact CG-CD2 3.72Å; P155-Y232 HydrophobicContact CG-CE1 4Å; P155-Y232 HydrophobicContact CG-CE2 3.3Å; P155-Y232 HydrophobicContact CG-CG 4.24Å; P155-Y232 VanDerWaalsContact CG-CZ 3.45Å
156S63.5Low67.2Low56 Ų5664.9 Ų64.939%0.39236%0.357SS..G310 helixtrans-51.8-34.6178.157.20000112.5I154 L158 I159 G160 F213I154-S156 PolarHBondContact O-N 3.49Å; S156-L158 PolarHBondContact O-N 3.25Å; S156-I159 CarbonylContact O-C 3.58Å; S156-I159 PolarHBondContact O-N 3.45Å; S156-G160 PolarHBondContact O-N 2.9Å; S156-F213 VanDerWaalsContact CB-CE2 3.45Å; S156-F213 VanDerWaalsContact CB-CZ 3.5Å
157A54.4Low64.7Low6 Ų669 Ų695%0.0537%0.369CS..G310 helixtrans-29.2-45.9162.300000115.6P155 I163 F165P155-A157 HydrophobicContact CB-CB 4.03Å; P155-A157 PolarHBondContact O-N 3.28Å; P155-A157 VanDerWaalsContact O-N 3.11Å; A157-I163 HydrophobicContact CB-CB 4.45Å; A157-I163 HydrophobicContact CB-CD1 3.57Å; A157-I163 HydrophobicContact CB-CG1 4.08Å; A157-I163 HydrophobicContact CB-CG2 3.61Å; A157-F165 HydrophobicContact CB-CZ 4.42Å
158L57.8Low62.1Low12 Ų1275.8 Ų75.86%0.06341%0.405CS..G310 helixtrans-85-17.7-175.4-82.192.4000114.2P155 S156 L228 L255 I267 L271P155-L158 HydrophobicContact CB-CD1 3.86Å; P155-L158 HydrophobicContact CG-CD1 4.39Å; P155-L158 PolarHBondContact O-N 2.99Å; S156-L158 PolarHBondContact O-N 3.25Å; L158-L228 HydrophobicContact CD2-CD1 4.06Å; L158-L255 HydrophobicContact CD1-CD2 3.5Å; L158-L255 VanDerWaalsContact CD1-CD2 3.5Å; L158-L255 HydrophobicContact CD2-CB 4.28Å; L158-L255 HydrophobicContact CD2-CD2 3.35Å; L158-L255 HydrophobicContact CD2-CG 3.5Å; L158-L255 HydrophobicContact CG-CD2 4.07Å; L158-I267 HydrophobicContact CB-CG1 4.16Å; L158-I267 HydrophobicContact CB-CG2 4.3Å; L158-I267 HydrophobicContact CD2-CD1 4.05Å; L158-I267 HydrophobicContact CD2-CG1 4.19Å; L158-I267 HydrophobicContact CD2-CG2 3.66Å; L158-I267 HydrophobicContact CG-CG2 3.91Å; L158-I267 VanDerWaalsContact O-CG1 3.3Å; L158-I267 WeakPolarHBondContact O-CG1 3.34Å; L158-L271 HydrophobicContact CG-CD1 4.39Å
159I54.6Low59.8Low31 Ų3182.3 Ų82.316%0.15943%0.431CS..THydrogen-bonded Turntrans-121-15.2-166.8-64145.6000111.3I154 S156 F216 L220 L228I154-I159 HydrophobicContact CB-CD1 4.32Å; I154-I159 HydrophobicContact CG2-CD1 3.58Å; S156-I159 CarbonylContact O-C 3.58Å; S156-I159 PolarHBondContact O-N 3.45Å; I159-F216 WeakPolarHBondContact O-CB 3.32Å; I159-F216 VanDerWaalsContact O-CD2 3.23Å; I159-F216 WeakPolarHBondContact O-CD2 3.19Å; I159-F216 WeakPolarHBondContact O-CG 3.49Å; I159-L220 HydrophobicContact CD1-CD1 3.69Å; I159-L220 HydrophobicContact CG1-CD1 3.88Å; I159-L220 HydrophobicContact CG1-CG 4.38Å; I159-L228 HydrophobicContact CD1-CD2 4.07Å
160G48.1Very low57.3Low33 Ų3389.1 Ų89.134%0.3445%0.453SS..SBendtrans-118.5-3.9-168.700000116.6S156 Y162S156-G160 PolarHBondContact O-N 2.9Å; G160-Y162 VanDerWaalsContact C-N 3.26Å; G160-Y162 WeakPolarHBondContact O-CD2 3.45Å; G160-Y162 PolarHBondContact O-N 3.5Å
161G43.2Very low54.6Low32 Ų3292.9 Ų92.933%0.3347%0.474SS..SBendtrans72.35.2171.400000117.3
162Y40.4Very low52.1Low205 Ų20598 Ų9880%0.80450%0.504SS*.  trans-135112.3178.2-54.6-74.8000111.2G160G160-Y162 VanDerWaalsContact C-N 3.26Å; G160-Y162 WeakPolarHBondContact O-CD2 3.45Å; G160-Y162 PolarHBondContact O-N 3.5Å
163I42.7Very low49.4Very low60 Ų6097.6 Ų97.631%0.30851%0.512SS..  trans-148.1116.4162.827.2164.7000109.5A157 F165 L271A157-I163 HydrophobicContact CB-CB 4.45Å; A157-I163 HydrophobicContact CB-CD1 3.57Å; A157-I163 HydrophobicContact CB-CG1 4.08Å; A157-I163 HydrophobicContact CB-CG2 3.61Å; I163-F165 HydrophobicContact CD1-CD2 3.65Å; I163-F165 HydrophobicContact CD1-CE2 3.19Å; I163-F165 HydrophobicContact CD1-CG 4.5Å; I163-F165 HydrophobicContact CD1-CZ 3.69Å; I163-F165 HydrophobicContact CG1-CE2 4.44Å; I163-F165 HydrophobicContact CG2-CE1 4.46Å; I163-F165 PolarHBondContact O-N 2.94Å; I163-L271 HydrophobicContact CD1-CD2 3.36Å; I163-L271 HydrophobicContact CG1-CD2 4.25Å
164S35.9Very low47Very low89 Ų8997.6 Ų97.662%0.62252%0.521SS*.  trans-81.1103.1150.6-158.80000106.6D166S164-D166 WeakPolarHBondContact CB-OD2 3.3Å; S164-D166 PolarHBondContact O-N 3.19Å; S164-D166 PolarHBondContact OG-OD2 2.96Å
165F40.8Very low44.3Very low132 Ų132105.3 Ų105.358%0.57956%0.561SS**  trans-82.479.5160.8-75.5-51000107.5A157 I163 L167A157-F165 HydrophobicContact CB-CZ 4.42Å; I163-F165 HydrophobicContact CD1-CD2 3.65Å; I163-F165 HydrophobicContact CD1-CE2 3.19Å; I163-F165 HydrophobicContact CD1-CG 4.5Å; I163-F165 HydrophobicContact CD1-CZ 3.69Å; I163-F165 HydrophobicContact CG1-CE2 4.44Å; I163-F165 HydrophobicContact CG2-CE1 4.46Å; I163-F165 PolarHBondContact O-N 2.94Å; F165-L167 HydrophobicContact CB-CD1 4.3Å; F165-L167 HydrophobicContact CB-CG 4.35Å; F165-L167 PolarHBondContact O-N 3.03Å
166D37.9Very low41.9Very low118 Ų118109.6 Ų109.663%0.63159%0.59SS**  trans-71.265.1170.9-74.1-66000110.5S164 D168S164-D166 WeakPolarHBondContact CB-OD2 3.3Å; S164-D166 PolarHBondContact O-N 3.19Å; S164-D166 PolarHBondContact OG-OD2 2.96Å; D166-D168 PolarHBondContact O-N 3.49Å
167L42.8Very low40.1Very low149 Ų149113.4 Ų113.478%0.7861%0.612SS**THydrogen-bonded Turntrans-77.433173.9-73.4170000112.1F165F165-L167 HydrophobicContact CB-CD1 4.3Å; F165-L167 HydrophobicContact CB-CG 4.35Å; F165-L167 PolarHBondContact O-N 3.03Å
168D38Very low39.2Very low158 Ų158119.5 Ų119.585%0.84565%0.648SS**THydrogen-bonded Turntrans-138.715.7-174.3-109.4-26.2000113.6D166 K170D166-D168 PolarHBondContact O-N 3.49Å; D168-K170 PolarHBondContact O-N 3.46Å
169K42Very low37.9Very low193 Ų193126.9 Ų126.984%0.83968%0.682SS**  trans-87.182.2165.7-83.3-170.8175.2-179.70111.6D171K169-D171 PolarHBondContact O-N 3.48Å
170K40.2Very low37.1Very low184 Ų184133.4 Ų133.480%0.872%0.717SS**  trans-45.8132.6150.3-119.1173-179.8170.60110.2D168 D172D168-K170 PolarHBondContact O-N 3.46Å; K170-D172 PolarHBondContact O-N 3.36Å
171D34.4Very low36.3Very low136 Ų136138.4 Ų138.473%0.72774%0.736SS**  trans9.5106.3146-42.6-45.1000115.6K169K169-D171 PolarHBondContact O-N 3.48Å
172D37.9Very low36.1Very low153 Ų153146 Ų14682%0.81876%0.763SS**  -171.4129.6117.4-95.7-25.4000112.1K170 T174K170-D172 PolarHBondContact O-N 3.36Å; D172-T174 PolarHBondContact O-N 3.07Å
173T32.2Very low35.9Very low133 Ų133145.3 Ų145.382%0.81676%0.764SS**  trans-65.2117.2168.644.90000110.8
174T36Very low35.7Very low138 Ų138150 Ų15085%0.84779%0.785SS**  trans-156.9121.3148.47.50000112.8D172D172-T174 PolarHBondContact O-N 3.07Å
175I28Very low35.8Very low163 Ų163151.3 Ų151.384%0.83679%0.785SS**  trans-67.6132.5164.5-64154.1000108.2
176C29.3Very low35.7Very low120 Ų120152.4 Ų152.481%0.81179%0.792SS**  trans-173.6105.2148.9-1080000112.9
177T26.5Very low35.8Very low137 Ų137150.1 Ų150.184%0.8479%0.785SS**  trans-86.7124.8158.540.40000110.2
178T34.6Very low35.6Very low133 Ų133149.5 Ų149.582%0.81678%0.783SS**  trans-145.8129.8160.7390000112
179H30.3Very low35.6Very low167 Ų167150.3 Ų150.377%0.77378%0.779SS**  trans-74.4161.5164.1-91-113.4000110.9
180N37.3Very low35.2Very low168 Ų168147.2 Ų147.290%0.89877%0.771SS**  trans-156.5124.3146.2-101.3-32.2000111.5
181D32.2Very low34.8Very low139 Ų139147.5 Ų147.574%0.74377%0.772SS**  trans-87.1154.6173.5-62.6-68.2000112
182Q38.4Very low34.8Very low192 Ų192145.3 Ų145.390%0.89777%0.767SS**  trans-16193.7148.5-114.3166.741.200115.5
183K35.7Very low34.7Very low190 Ų190146.3 Ų146.383%0.82676%0.764SS**  24.3132126.2-119.4174.8-175.2173.80120.2
184Q39.8Very low34.7Very low157 Ų157146.2 Ų146.273%0.73476%0.759SS**  164.8134.3107.5-80.6-136.1-300115.1
185N36.5Very low34.9Very low117 Ų117148.7 Ų148.763%0.62676%0.761SS**  trans59.6160.9141.1-64.444.1000119.3
186E39.6Very low35Very low155 Ų155152.1 Ų152.172%0.72476%0.763SS**  cis-171.6174.6-15.4-107.4-164-10400108.5
187S39.2Very low35.2Very low70 Ų70152.2 Ų152.249%0.4976%0.76SS.*  cis-168.1169.7-24.450.60000110.6
188N38.8Very low35.4Very low137 Ų137152.5 Ų152.573%0.73376%0.757SS**  trans71.4148.9165.9-57.9-60000117.6
189K38.9Very low35.3Very low174 Ų174150.7 Ų150.776%0.75775%0.749SS**  cis-164155.90.6-132171.2170.2177.50112.8
190L34.4Very low35.4Very low128 Ų128149 Ų14967%0.6775%0.753SS**  trans68.6117.6149.8-79.2148.1000122.8
191F30Very low34.9Very low191 Ų191148.5 Ų148.584%0.83875%0.749SS**  44.2137.6128.4-82.1-114.5000120
192S35.1Very low34.8Very low89 Ų89148.9 Ų148.962%0.62275%0.751SS**  cis-167.4146.732.8-158.30000113.3
193K36.6Very low34.5Very low174 Ų174148 Ų14876%0.75775%0.746SS**  trans36125148.5-73175.8177.5175.10122.2
194N31.6Very low34.3Very low131 Ų131146.5 Ų146.570%0.70175%0.746SS**  trans69.599138.7-54.4-5000118.8
195H38.9Very low33.9Very low190 Ų190145.4 Ų145.488%0.8875%0.745SS**  -173.1162.997.6-96.4-77.4000110.1
196R30.4Very low33.6Very low235 Ų235144.5 Ų144.589%0.88775%0.748SS**  trans-65.2126.4-166.3-73.8171.1167.9165.9-7.1114
197T34Very low33.2Very low123 Ų123144.9 Ų144.976%0.75576%0.755SS**  trans16.7111.9139.153.50000116.1
198N31Very low32.8Very low143 Ų143148.9 Ų148.977%0.76577%0.771SS**  cis48.6108.546.9-71.4-14.3000112.6
199S33Very low32.4Very low94 Ų94150 Ų15066%0.65778%0.777SS**SBend82.6141.272.8-65.30000111.9
200P31Very low32.4Very low131 Ų131147.7 Ų147.785%0.85178%0.777SS**  trans-75.8132.5-143.628.8-36000113.4
201I28.6Very low32.5Very low159 Ų159148.5 Ų148.582%0.81578%0.782SS**  trans-108.6122.6176.6-65.3179.4000109.5Q203I201-Q203 PolarHBondContact O-N 3.35Å
202N29.4Very low32.6Very low147 Ų147146.2 Ų146.279%0.78678%0.779SS**  trans-56.9119.9175.1-61.8-42.6000111.2I204N202-I204 PolarHBondContact O-N 2.88Å
203Q32.9Very low32.7Very low172 Ų172148.2 Ų148.280%0.80478%0.777SS**  trans-88.993.9153.6-77.9-169.60.800108.8I201 N205I201-Q203 PolarHBondContact O-N 3.35Å; Q203-N205 PolarHBondContact O-N 3.21Å
204I30Very low33.1Very low160 Ų160148.2 Ų148.282%0.82178%0.779SS**  trans-65.5107.1153.8-63.1168.3000105N202N202-I204 PolarHBondContact O-N 2.88Å
205N32.2Very low33.6Very low134 Ų134149.9 Ų149.972%0.71778%0.782SS**  trans-130.6122.1175.3-145.8-3.6000110.4Q203 N207Q203-N205 PolarHBondContact O-N 3.21Å; N205-N207 PolarHBondContact O-N 2.88Å
206S29.8Very low33.6Very low98 Ų98145.2 Ų145.269%0.68576%0.76SS**  trans-68.9113.7-169.1-59.30000111.7
207N31.3Very low34.2Very low163 Ų163137.9 Ų137.987%0.87276%0.758SS**  trans-152.249.3157.5-89.4-37.5000109.5N205N205-N207 PolarHBondContact O-N 2.88Å
208N30.6Very low35.3Very low154 Ų154138 Ų13882%0.82475%0.749SS**  trans-73.1142.2166.8-70.4-26.9000108.9
209N30.9Very low37.3Very low160 Ų160138.4 Ų138.486%0.85674%0.744SS**SBendtrans81104.4179.9-143.65.3000114.7
210V37.7Very low39.6Very low126 Ų126134.6 Ų134.676%0.76472%0.717SS**SBendtrans148.6-35.2152.4165.40000112.6
211N37Very low42.4Very low144 Ų144130.5 Ų130.577%0.7769%0.691SS**  trans-118.36-165.4-74.6-40.7000118.9F213N211-F213 PolarHBondContact O-N 3.19Å
212N33Very low45.4Very low144 Ų144127.5 Ų127.577%0.7767%0.672SS**  trans-8045.3-178.8-82.2-6.6000114.8H214N212-H214 VanDerWaalsContact C-N 3.25Å; N212-H214 PolarHBondContact O-N 2.84Å
213F37.7Very low48.5Very low131 Ų131124.8 Ų124.858%0.57566%0.657SS**  trans-86.913175.3-135.9-88.5000113.8S156 N211S156-F213 VanDerWaalsContact CB-CE2 3.45Å; S156-F213 VanDerWaalsContact CB-CZ 3.5Å; N211-F213 PolarHBondContact O-N 3.19Å
214H44.8Very low51.2Low173 Ų173118 Ų11880%0.80163%0.625SS**  trans-111.532.8-171.4-153.359.5000113.8N212N212-H214 VanDerWaalsContact C-N 3.25Å; N212-H214 PolarHBondContact O-N 2.84Å
215Q41.7Very low54.2Low167 Ų167110.4 Ų110.478%0.7859%0.586SS**  trans-134.57.1-169.9-127.8171.54.400117.6
216F37.8Very low57.1Low91 Ų91108.1 Ų108.140%0.39957%0.573SS.*SBendtrans-92.2118.1158.7-154.5-98.6000109.9I159 Q218 Q266I159-F216 WeakPolarHBondContact O-CB 3.32Å; I159-F216 VanDerWaalsContact O-CD2 3.23Å; I159-F216 WeakPolarHBondContact O-CD2 3.19Å; I159-F216 WeakPolarHBondContact O-CG 3.49Å; F216-Q218 PolarHBondContact O-N 3.43Å; F216-Q266 HydrophobicContact CE1-CB 4.41Å; F216-Q266 HydrophobicContact CE1-CG 4.2Å; F216-Q266 HydrophobicContact CZ-CB 4.16Å; F216-Q266 HydrophobicContact CZ-CG 4.07Å
217G43.7Very low60.2Low82 Ų82109.1 Ų109.185%0.84556%0.562SS**SBendtrans-69.14.8-161.700000117.6
218Q57.2Low63.1Low124 Ų124101.4 Ų101.458%0.57952%0.521SS*.SBendtrans-139.2121171.4-70.5-175.5-13.400109.9F216 L220F216-Q218 PolarHBondContact O-N 3.43Å; Q218-L220 PolarHBondContact O-N 3.5Å
219K72.7Confident66.1Low152 Ų15294.4 Ų94.466%0.66149%0.485SS*.PPolyproline II helixtrans-65127.7167-67.8-172.8175.3-166.90108.3S221K219-S221 PolarHBondContact O-N 3.43Å
220L81.5Confident69.1Low15 Ų1589.8 Ų89.88%0.07946%0.464CS..PPolyproline II helixtrans-47.3136.4170.9-72-178.4000110.5R151 I159 Q218 E224 T225 L228 T263R151-L220 PolarHBondContact NH2-O 3.05Å; I159-L220 HydrophobicContact CD1-CD1 3.69Å; I159-L220 HydrophobicContact CG1-CD1 3.88Å; I159-L220 HydrophobicContact CG1-CG 4.38Å; Q218-L220 PolarHBondContact O-N 3.5Å; L220-E224 HydrophobicContact CB-CB 4.44Å; L220-E224 HydrophobicContact CD2-CB 4.42Å; L220-T225 PolarHBondContact O-OG1 3.19Å; L220-L228 HydrophobicContact CD1-CD2 3.72Å; L220-T263 HydrophobicContact CD2-CG2 3.68Å
221S90Very high71.8Confident44 Ų4484.8 Ų84.831%0.30843%0.433SS..PPolyproline II helixtrans-59.7163.4177.871.20000111K219 I223 E224 T225K219-S221 PolarHBondContact O-N 3.43Å; S221-I223 PolarHBondContact O-N 3.05Å; S221-I223 WeakPolarHBondContact OG-CG2 3.4Å; S221-E224 WeakPolarHBondContact CB-OE2 3.35Å; S221-E224 PolarHBondContact N-OE2 2.96Å; S221-E224 PolarHBondContact O-N 3.29Å; S221-E224 WeakPolarHBondContact OG-CB 3.41Å; S221-E224 WeakPolarHBondContact OG-CG 3.39Å; S221-E224 PolarHBondContact OG-N 2.76Å; S221-E224 PolarHBondContact OG-OE2 3.46Å; S221-T225 WeakPolarHBondContact O-CB 3.4Å; S221-T225 PolarHBondContact O-N 3.37Å; S221-T225 PolarHBondContact O-OG1 3.4Å
222K92.4Very high74.5Confident96 Ų9681.1 Ų81.142%0.41741%0.409SS..Hα-helixtrans-57.3-40.3178.7-62.1-162.1167.4-168.50111.7N144 L147 L226N144-K222 WeakPolarHBondContact OD1-CE 3.36Å; N144-K222 PolarHBondContact OD1-NZ 3.29Å; L147-K222 HydrophobicContact CD2-CB 4.06Å; L147-K222 HydrophobicContact CD2-CD 4.05Å; L147-K222 HydrophobicContact CD2-CG 3.66Å; K222-L226 VanDerWaalsContact O-CG 3.31Å; K222-L226 WeakPolarHBondContact O-CG 3.49Å; K222-L226 PolarHBondContact O-N 2.98Å
223I92.7Very high77.4Confident90 Ų9079.6 Ų79.646%0.46240%0.4SS..Hα-helixtrans-73.3-40.4-179.5-17559.6000112.3S221 L226 R227S221-I223 PolarHBondContact O-N 3.05Å; S221-I223 WeakPolarHBondContact OG-CG2 3.4Å; I223-L226 PolarHBondContact O-N 2.89Å; I223-R227 HydrophobicContact CD1-CG 4.28Å; I223-R227 HydrophobicContact CG1-CG 4.4Å; I223-R227 WeakPolarHBondContact O-CG 3.41Å; I223-R227 PolarHBondContact O-N 2.8Å
224E91.4Very high80.1Confident31 Ų3174 Ų7415%0.14538%0.378CS..Hα-helixtrans-66.8-39176.3-72.8153.3160.800111.7L220 S221 L226 R227 L228 S260 T263L220-E224 HydrophobicContact CB-CB 4.44Å; L220-E224 HydrophobicContact CD2-CB 4.42Å; S221-E224 WeakPolarHBondContact CB-OE2 3.35Å; S221-E224 PolarHBondContact N-OE2 2.96Å; S221-E224 PolarHBondContact O-N 3.29Å; S221-E224 WeakPolarHBondContact OG-CB 3.41Å; S221-E224 WeakPolarHBondContact OG-CG 3.39Å; S221-E224 PolarHBondContact OG-N 2.76Å; S221-E224 PolarHBondContact OG-OE2 3.46Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.35Å; E224-R227 PolarHBondContact O-N 3.48Å; E224-L228 WeakPolarHBondContact O-CB 3.24Å; E224-L228 PolarHBondContact O-N 3.22Å; E224-S260 WeakPolarHBondContact OE1-CB 3.29Å; E224-S260 PolarHBondContact OE1-OG 2.97Å; E224-T263 VanDerWaalsContact CD-OG1 3.24Å; E224-T263 PolarHBondContact OE1-OG1 3.11Å
225T91.2Very high82.3Confident0 Ų066.1 Ų66.10%034%0.342CS..Hα-helixtrans-56.4-46.6173.2-55.60000110.9L147 L150 R151 I154 L220 S221 A229L147-T225 HydrophobicContact CD1-CG2 3.72Å; L147-T225 HydrophobicContact CG-CG2 4.19Å; L150-T225 HydrophobicContact CD2-CG2 4.31Å; L150-T225 HydrophobicContact CG-CG2 4.48Å; R151-T225 HydrophobicContact CG-CG2 3.5Å; R151-T225 PolarHBondContact NE-OG1 3.03Å; R151-T225 PolarHBondContact NH2-OG1 2.86Å; I154-T225 HydrophobicContact CD1-CG2 3.94Å; I154-T225 WeakPolarHBondContact CD1-O 3.4Å; L220-T225 PolarHBondContact O-OG1 3.19Å; S221-T225 WeakPolarHBondContact O-CB 3.4Å; S221-T225 PolarHBondContact O-N 3.37Å; S221-T225 PolarHBondContact O-OG1 3.4Å; T225-A229 VanDerWaalsContact O-CB 3.3Å; T225-A229 WeakPolarHBondContact O-CB 3.4Å; T225-A229 PolarHBondContact O-N 3.26Å
226L94.9Very high84.7Confident86 Ų8661.4 Ų61.445%0.4532%0.322SS..Hα-helixtrans-68.9-45.5179.2-68.6170.6000112.5L147 L150 K222 I223 E224 A229 C230L147-L226 HydrophobicContact CD1-CD2 4.29Å; L147-L226 HydrophobicContact CD1-CG 4.4Å; L150-L226 HydrophobicContact CD2-CD2 4.24Å; K222-L226 VanDerWaalsContact O-CG 3.31Å; K222-L226 WeakPolarHBondContact O-CG 3.49Å; K222-L226 PolarHBondContact O-N 2.98Å; I223-L226 PolarHBondContact O-N 2.89Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.35Å; L226-A229 PolarHBondContact O-N 3.49Å; L226-C230 PolarHBondContact O-N 2.96Å; L226-C230 PolarHBondContact O-SG 2.86Å; L226-C230 VanDerWaalsContact O-SG 3.35Å
227R94.2Very high87.4Confident119 Ų11959 Ų5945%0.44932%0.319SS..Hα-helixtrans-60.1-48.2177.3-73.2-178.9-177.5177.84111.4I223 E224 A229 C230 N231 G258 L259I223-R227 HydrophobicContact CD1-CG 4.28Å; I223-R227 HydrophobicContact CG1-CG 4.4Å; I223-R227 WeakPolarHBondContact O-CG 3.41Å; I223-R227 PolarHBondContact O-N 2.8Å; E224-R227 PolarHBondContact O-N 3.48Å; R227-A229 VanDerWaalsContact C-N 3.35Å; R227-A229 PolarHBondContact O-N 3.49Å; R227-C230 WeakPolarHBondContact O-CB 3.44Å; R227-C230 PolarHBondContact O-N 2.63Å; R227-N231 VanDerWaalsContact O-CG 3.23Å; R227-N231 PolarHBondContact O-N 2.91Å; R227-N231 PolarHBondContact O-OD1 2.94Å; R227-G258 VanDerWaalsContact CD-O 3.3Å; R227-G258 WeakPolarHBondContact CD-O 3.15Å; R227-G258 PolarHBondContact NH1-O 3.32Å; R227-L259 HydrophobicContact CB-CD2 3.74Å
228L91.6Very high89.6Confident0 Ų055.7 Ų55.70%028%0.283CS..Hα-helixtrans-65.5-37.2-179.8-178.654.1000111.9I154 L158 I159 L220 E224 N231 Y232 L255 L259I154-L228 HydrophobicContact CD1-CB 4.45Å; I154-L228 HydrophobicContact CD1-CG 4.4Å; I154-L228 HydrophobicContact CG2-CD2 3.51Å; I154-L228 HydrophobicContact CG2-CG 3.63Å; L158-L228 HydrophobicContact CD2-CD1 4.06Å; I159-L228 HydrophobicContact CD1-CD2 4.07Å; L220-L228 HydrophobicContact CD1-CD2 3.72Å; E224-L228 WeakPolarHBondContact O-CB 3.24Å; E224-L228 PolarHBondContact O-N 3.22Å; L228-N231 PolarHBondContact O-N 2.63Å; L228-Y232 WeakPolarHBondContact O-CB 3.28Å; L228-Y232 PolarHBondContact O-N 3.47Å; L228-L255 HydrophobicContact CD1-CD1 3.56Å; L228-L255 HydrophobicContact CD1-CG 3.71Å; L228-L259 HydrophobicContact CB-CD2 4.15Å; L228-L259 HydrophobicContact CD1-CD1 4.19Å
229A93.7Very high91.2Very high8 Ų853.9 Ų53.97%0.06628%0.276CS..Hα-helixtrans-63.2-43.5171.200000112.6L150 I154 T225 L226 R227 Y232 I233L150-A229 HydrophobicContact CD1-CB 3.96Å; L150-A229 HydrophobicContact CD2-CB 3.92Å; L150-A229 HydrophobicContact CG-CB 4.14Å; I154-A229 HydrophobicContact CD1-CB 4.25Å; I154-A229 HydrophobicContact CG1-CB 4.36Å; T225-A229 VanDerWaalsContact O-CB 3.3Å; T225-A229 WeakPolarHBondContact O-CB 3.4Å; T225-A229 PolarHBondContact O-N 3.26Å; L226-A229 PolarHBondContact O-N 3.49Å; R227-A229 VanDerWaalsContact C-N 3.35Å; R227-A229 PolarHBondContact O-N 3.49Å; A229-Y232 PolarHBondContact O-N 3.22Å; A229-I233 WeakPolarHBondContact O-CG1 3.4Å; A229-I233 PolarHBondContact O-N 2.9Å
230C94.8Very high92.1Very high63 Ų6353.5 Ų53.543%0.42628%0.281SS..Hα-helixtrans-61.5-43.2174.6-70.50000112.2L226 R227 G234L226-C230 PolarHBondContact O-N 2.96Å; L226-C230 PolarHBondContact O-SG 2.86Å; L226-C230 VanDerWaalsContact O-SG 3.35Å; R227-C230 WeakPolarHBondContact O-CB 3.44Å; R227-C230 PolarHBondContact O-N 2.63Å; C230-G234 PolarHBondContact O-N 3.18Å
231N93.9Very high92.7Very high21 Ų2158.3 Ų58.311%0.11231%0.306CS..Hα-helixtrans-64.6-40.3176.7-65-6.5000111.2R227 L228 G234 L235 Y254 L255 H257R227-N231 VanDerWaalsContact O-CG 3.23Å; R227-N231 PolarHBondContact O-N 2.91Å; R227-N231 PolarHBondContact O-OD1 2.94Å; L228-N231 PolarHBondContact O-N 2.63Å; N231-G234 PolarHBondContact O-N 3.09Å; N231-L235 WeakPolarHBondContact O-CB 3.43Å; N231-L235 PolarHBondContact O-N 3.15Å; N231-Y254 WeakPolarHBondContact O-CE1 3.48Å; N231-L255 HydrophobicContact CB-CD1 3.88Å; N231-L255 PolarHBondContact ND2-O 3.02Å; N231-H257 PolarHBondContact ND2-O 3.13Å
232Y93.7Very high92.4Very high66 Ų6663.6 Ų63.626%0.25933%0.331SS..Hα-helixtrans-65.5-43.8178-175.8-131000112.3H153 P155 L228 A229 G234 L235 L236 L255H153-Y232 VanDerWaalsContact O-CE1 3.32Å; H153-Y232 WeakPolarHBondContact O-CE1 3.27Å; P155-Y232 HydrophobicContact CG-CD1 4.37Å; P155-Y232 HydrophobicContact CG-CD2 3.72Å; P155-Y232 HydrophobicContact CG-CE1 4Å; P155-Y232 HydrophobicContact CG-CE2 3.3Å; P155-Y232 HydrophobicContact CG-CG 4.24Å; P155-Y232 VanDerWaalsContact CG-CZ 3.45Å; L228-Y232 WeakPolarHBondContact O-CB 3.28Å; L228-Y232 PolarHBondContact O-N 3.47Å; A229-Y232 PolarHBondContact O-N 3.22Å; Y232-G234 VanDerWaalsContact C-N 3.31Å; Y232-G234 PolarHBondContact O-N 3Å; Y232-L235 HydrophobicContact CD2-CD2 4.46Å; Y232-L235 WeakPolarHBondContact O-CB 3.46Å; Y232-L235 PolarHBondContact O-N 3.41Å; Y232-L236 HydrophobicContact CD1-CD1 4.25Å; Y232-L236 HydrophobicContact CD2-CD1 4.49Å; Y232-L236 HydrophobicContact CD2-CG 4.24Å; Y232-L236 HydrophobicContact CE1-CD1 3.8Å; Y232-L236 HydrophobicContact CE2-CD1 4.03Å; Y232-L236 HydrophobicContact CE2-CD2 3.94Å; Y232-L236 HydrophobicContact CE2-CG 3.87Å; Y232-L236 WeakPolarHBondContact O-CG 3.25Å; Y232-L236 PolarHBondContact O-N 3.34Å; Y232-L255 HydrophobicContact CD2-CD1 4.47Å
233I94.9Very high91.9Very high113 Ų11362.2 Ų62.258%0.57933%0.328SS*.Hα-helixtrans-61-42173.2-66.8165.1000110.7A229 L235 L236 A237A229-I233 WeakPolarHBondContact O-CG1 3.4Å; A229-I233 PolarHBondContact O-N 2.9Å; I233-L235 PolarHBondContact O-N 3.1Å; I233-L236 PolarHBondContact O-N 2.99Å; I233-A237 VanDerWaalsContact O-CB 3.26Å; I233-A237 WeakPolarHBondContact O-CB 3.32Å; I233-A237 PolarHBondContact O-N 3.22Å
234G93Very high91.2Very high12 Ų1265.5 Ų65.512%0.12434%0.341CS..Hα-helixtrans-62.8-38.5175.800000113.6C230 N231 Y232 S238 Y254C230-G234 PolarHBondContact O-N 3.18Å; N231-G234 PolarHBondContact O-N 3.09Å; Y232-G234 VanDerWaalsContact C-N 3.31Å; Y232-G234 PolarHBondContact O-N 3Å; G234-S238 WeakPolarHBondContact O-CB 3.44Å; G234-S238 PolarHBondContact O-N 3.28Å; G234-S238 PolarHBondContact O-OG 3.41Å; G234-Y254 VanDerWaalsContact C-OH 3.29Å; G234-Y254 PolarHBondContact O-OH 3.31Å
235L92.2Very high90.9Very high8 Ų866.1 Ų66.14%0.04234%0.343CS..Hα-helixtrans-66.2-51.5176.1174.764.9000110.9N231 Y232 I233 A237 S238 I239 F245 I251 Y254 L255N231-L235 WeakPolarHBondContact O-CB 3.43Å; N231-L235 PolarHBondContact O-N 3.15Å; Y232-L235 HydrophobicContact CD2-CD2 4.46Å; Y232-L235 WeakPolarHBondContact O-CB 3.46Å; Y232-L235 PolarHBondContact O-N 3.41Å; I233-L235 PolarHBondContact O-N 3.1Å; L235-A237 VanDerWaalsContact C-N 3.3Å; L235-A237 PolarHBondContact O-N 3.33Å; L235-S238 WeakPolarHBondContact O-CB 3.4Å; L235-S238 PolarHBondContact O-N 3.29Å; L235-I239 HydrophobicContact CD1-CD1 4.17Å; L235-I239 HydrophobicContact CG-CD1 4.08Å; L235-I239 WeakPolarHBondContact O-CG1 3.26Å; L235-I239 PolarHBondContact O-N 3.3Å; L235-F245 HydrophobicContact CD1-CE1 4.03Å; L235-F245 HydrophobicContact CD1-CE2 3.78Å; L235-F245 HydrophobicContact CD1-CZ 3.49Å; L235-F245 VanDerWaalsContact CD1-CZ 3.49Å; L235-I251 HydrophobicContact CD1-CG1 4.46Å; L235-I251 HydrophobicContact CD1-CG2 4Å; L235-I251 HydrophobicContact CD2-CG2 3.71Å; L235-Y254 HydrophobicContact CB-CD1 3.94Å; L235-Y254 HydrophobicContact CB-CE1 4.02Å; L235-Y254 HydrophobicContact CD1-CD1 4.47Å; L235-Y254 VanDerWaalsContact N-CE1 3.35Å; L235-L255 HydrophobicContact CD2-CD2 4.07Å
236L92.2Very high90.3Very high69 Ų6974 Ų7436%0.36138%0.38SS..Hα-helixtrans-59.5-41.4176.5-67.2178.2000111.5Y232 I233 S238 I239 L240Y232-L236 HydrophobicContact CD1-CD1 4.25Å; Y232-L236 HydrophobicContact CD2-CD1 4.49Å; Y232-L236 HydrophobicContact CD2-CG 4.24Å; Y232-L236 HydrophobicContact CE1-CD1 3.8Å; Y232-L236 HydrophobicContact CE2-CD1 4.03Å; Y232-L236 HydrophobicContact CE2-CD2 3.94Å; Y232-L236 HydrophobicContact CE2-CG 3.87Å; Y232-L236 WeakPolarHBondContact O-CG 3.25Å; Y232-L236 PolarHBondContact O-N 3.34Å; I233-L236 PolarHBondContact O-N 2.99Å; L236-S238 VanDerWaalsContact C-N 3.29Å; L236-S238 PolarHBondContact O-N 3.17Å; L236-I239 PolarHBondContact O-N 2.93Å; L236-L240 WeakPolarHBondContact O-CB 3.26Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.4Å; L236-L240 PolarHBondContact O-N 2.91Å
237A93Very high89.7Confident41 Ų4171.9 Ų71.934%0.33937%0.373SS..Hα-helixtrans-64.2-34174.800000112.3I233 L235 N241I233-A237 VanDerWaalsContact O-CB 3.26Å; I233-A237 WeakPolarHBondContact O-CB 3.32Å; I233-A237 PolarHBondContact O-N 3.22Å; L235-A237 VanDerWaalsContact C-N 3.3Å; L235-A237 PolarHBondContact O-N 3.33Å; A237-N241 PolarHBondContact O-N 2.94Å; A237-N241 PolarHBondContact O-ND2 3.05Å
238S91.3Very high89.2Confident12 Ų1271.6 Ų71.68%0.08438%0.379CS..Hα-helixtrans-69.4-44.3176.3-60.30000111.1G234 L235 L236 L240 N241 I243G234-S238 WeakPolarHBondContact O-CB 3.44Å; G234-S238 PolarHBondContact O-N 3.28Å; G234-S238 PolarHBondContact O-OG 3.41Å; L235-S238 WeakPolarHBondContact O-CB 3.4Å; L235-S238 PolarHBondContact O-N 3.29Å; L236-S238 VanDerWaalsContact C-N 3.29Å; L236-S238 PolarHBondContact O-N 3.17Å; S238-L240 PolarHBondContact O-N 3.33Å; S238-N241 CarbonylContact O-C 3.59Å; S238-N241 PolarHBondContact O-N 3.23Å; S238-N241 VanDerWaalsContact O-N 3.16Å; S238-I243 VanDerWaalsContact O-CB 3.31Å; S238-I243 WeakPolarHBondContact O-CB 3.5Å; S238-I243 WeakPolarHBondContact O-CG1 3.38Å; S238-I243 PolarHBondContact O-N 3.28Å
239I90.4Very high88.8Confident86 Ų8674.1 Ų74.144%0.44139%0.394SS..Hα-helixtrans-60.3-43.2174.2-64.3165.7000111L235 L236 N241 D242 F245L235-I239 HydrophobicContact CD1-CD1 4.17Å; L235-I239 HydrophobicContact CG-CD1 4.08Å; L235-I239 WeakPolarHBondContact O-CG1 3.26Å; L235-I239 PolarHBondContact O-N 3.3Å; L236-I239 PolarHBondContact O-N 2.93Å; I239-N241 PolarHBondContact O-N 3.11Å; I239-D242 PolarHBondContact O-N 3.25Å; I239-F245 HydrophobicContact CG1-CD2 4.45Å; I239-F245 HydrophobicContact CG1-CE2 3.99Å
240L92.1Very high88.4Confident143 Ų14374.5 Ų74.575%0.74940%0.395SS*.THydrogen-bonded Turntrans-70.1-10.3177.7-72.6171.3000114.8L236 S238L236-L240 WeakPolarHBondContact O-CB 3.26Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.4Å; L236-L240 PolarHBondContact O-N 2.91Å; S238-L240 PolarHBondContact O-N 3.33Å
241N92.9Very high88Confident116 Ų11674.1 Ų74.162%0.6239%0.388SS*.THydrogen-bonded Turntrans-109.224.6173.6-72.2-73.6000111.4A237 S238 I239 I243A237-N241 PolarHBondContact O-N 2.94Å; A237-N241 PolarHBondContact O-ND2 3.05Å; S238-N241 CarbonylContact O-C 3.59Å; S238-N241 PolarHBondContact O-N 3.23Å; S238-N241 VanDerWaalsContact O-N 3.16Å; I239-N241 PolarHBondContact O-N 3.11Å; N241-I243 HydrophobicContact CB-CG1 4.45Å; N241-I243 PolarHBondContact O-N 3.12Å; N241-I243 VanDerWaalsContact O-N 3.11Å
242D84.5Confident87.6Confident155 Ų15573.5 Ų73.583%0.82939%0.385SS*.THydrogen-bonded Turntrans53.928.2179.6-59.6-43.4000114.6I239 H244I239-D242 PolarHBondContact O-N 3.25Å; D242-H244 PolarHBondContact O-N 3.03Å; D242-H244 VanDerWaalsContact O-N 3.12Å
243I80.8Confident87.3Confident68 Ų6873.3 Ų73.335%0.34939%0.385SS..  trans-74.4105.6172.9-56.3-176.2000108.4S238 N241 F245S238-I243 VanDerWaalsContact O-CB 3.31Å; S238-I243 WeakPolarHBondContact O-CB 3.5Å; S238-I243 WeakPolarHBondContact O-CG1 3.38Å; S238-I243 PolarHBondContact O-N 3.28Å; N241-I243 HydrophobicContact CB-CG1 4.45Å; N241-I243 PolarHBondContact O-N 3.12Å; N241-I243 VanDerWaalsContact O-N 3.11Å; I243-F245 WeakPolarHBondContact O-CD2 3.44Å
244H79.5Confident87Confident159 Ų15969.4 Ų69.474%0.73636%0.364SS*.  trans-69.1129.5177.5-170-82.8000111.5D242D242-H244 PolarHBondContact O-N 3.03Å; D242-H244 VanDerWaalsContact O-N 3.12Å
245F83.3Confident86.8Confident43 Ų4369.2 Ų69.219%0.18936%0.359CS..  trans-97.6121.1169.4-67.1-91.6000108.7L235 I239 I243 S247 D250 I251 Y254L235-F245 HydrophobicContact CD1-CE1 4.03Å; L235-F245 HydrophobicContact CD1-CE2 3.78Å; L235-F245 HydrophobicContact CD1-CZ 3.49Å; L235-F245 VanDerWaalsContact CD1-CZ 3.49Å; I239-F245 HydrophobicContact CG1-CD2 4.45Å; I239-F245 HydrophobicContact CG1-CE2 3.99Å; I243-F245 WeakPolarHBondContact O-CD2 3.44Å; F245-S247 VanDerWaalsContact C-N 3.26Å; F245-S247 PolarHBondContact O-N 3.39Å; F245-D250 HydrophobicContact CD1-CB 4.14Å; F245-I251 HydrophobicContact CB-CD1 4.21Å; F245-I251 HydrophobicContact CB-CG1 3.75Å; F245-I251 HydrophobicContact CD1-CG1 3.9Å; F245-I251 HydrophobicContact CD2-CG1 4.2Å; F245-I251 HydrophobicContact CG-CD1 4.42Å; F245-I251 HydrophobicContact CG-CG1 3.68Å; F245-Y254 HydrophobicContact CE1-CD2 4.18Å; F245-Y254 HydrophobicContact CE1-CG 4.42Å
246E79.5Confident86.7Confident166 Ų16669.2 Ų69.278%0.77636%0.36SS*.SBendtrans-66.1-28.7-175.7-66.3174-165.900112.9
247S81.9Confident86.5Confident42 Ų4270.2 Ų70.229%0.29436%0.363SS..SBendtrans-146159.5177.275.10000113F245 T249 D250 I251F245-S247 VanDerWaalsContact C-N 3.26Å; F245-S247 PolarHBondContact O-N 3.39Å; S247-T249 PolarHBondContact O-N 3.22Å; S247-T249 PolarHBondContact OG-N 3.19Å; S247-T249 PolarHBondContact OG-OG1 3.42Å; S247-D250 WeakPolarHBondContact CA-OD2 3.35Å; S247-D250 WeakPolarHBondContact CB-OD2 3.3Å; S247-D250 PolarHBondContact N-OD2 3.4Å; S247-D250 WeakPolarHBondContact O-CB 3.28Å; S247-D250 PolarHBondContact O-N 3.49Å; S247-D250 PolarHBondContact OG-N 2.98Å; S247-D250 PolarHBondContact OG-OD2 2.82Å; S247-I251 PolarHBondContact O-N 2.57Å
248I83.8Confident86.3Confident113 Ų11369.7 Ų69.758%0.57936%0.362SS*.Hα-helixtrans-53.5-34.1166-67.3161.4000110.5D250 I251 I252I248-D250 PolarHBondContact O-N 3.15Å; I248-I251 WeakPolarHBondContact O-CB 3.42Å; I248-I251 PolarHBondContact O-N 3.07Å; I248-I252 HydrophobicContact CG2-CD1 3.88Å; I248-I252 HydrophobicContact CG2-CG1 4.25Å; I248-I252 WeakPolarHBondContact O-CG1 3.5Å; I248-I252 PolarHBondContact O-N 3.39Å
249T83.1Confident86.2Confident53 Ų5369.9 Ų69.933%0.32536%0.362SS..Hα-helixtrans-65-27179.5760000113.1S247 I252 K253S247-T249 PolarHBondContact O-N 3.22Å; S247-T249 PolarHBondContact OG-N 3.19Å; S247-T249 PolarHBondContact OG-OG1 3.42Å; T249-I252 PolarHBondContact O-N 3.38Å; T249-K253 WeakPolarHBondContact O-CB 3.48Å; T249-K253 WeakPolarHBondContact O-CG 3.27Å; T249-K253 PolarHBondContact O-N 3.11Å
250D84.7Confident86.2Confident15 Ų1567.5 Ų67.58%0.0835%0.353CS..Hα-helixtrans-74.8-37.7177-52.2-51.2000111.3F245 S247 I248 I252 K253 Y254 Y313F245-D250 HydrophobicContact CD1-CB 4.14Å; S247-D250 WeakPolarHBondContact CA-OD2 3.35Å; S247-D250 WeakPolarHBondContact CB-OD2 3.3Å; S247-D250 PolarHBondContact N-OD2 3.4Å; S247-D250 WeakPolarHBondContact O-CB 3.28Å; S247-D250 PolarHBondContact O-N 3.49Å; S247-D250 PolarHBondContact OG-N 2.98Å; S247-D250 PolarHBondContact OG-OD2 2.82Å; I248-D250 PolarHBondContact O-N 3.15Å; D250-I252 VanDerWaalsContact C-N 3.32Å; D250-I252 PolarHBondContact O-N 3.23Å; D250-K253 PolarHBondContact O-N 3.47Å; D250-K253 IonicContact OD1-NZ 2.97Å; D250-K253 PolarHBondContact OD1-NZ 3.19Å; D250-Y254 VanDerWaalsContact O-CB 3.3Å; D250-Y254 WeakPolarHBondContact O-CB 3.24Å; D250-Y254 PolarHBondContact O-N 3.35Å; D250-Y313 PolarHBondContact OD1-OH 3.28Å
251I87.4Confident85.9Confident56 Ų5665 Ų6529%0.28734%0.337SS..Hα-helixtrans-59.8-44.7170.1-61.5175.1000110.1L235 F245 S247 I248 Y254 L255L235-I251 HydrophobicContact CD1-CG1 4.46Å; L235-I251 HydrophobicContact CD1-CG2 4Å; L235-I251 HydrophobicContact CD2-CG2 3.71Å; F245-I251 HydrophobicContact CB-CD1 4.21Å; F245-I251 HydrophobicContact CB-CG1 3.75Å; F245-I251 HydrophobicContact CD1-CG1 3.9Å; F245-I251 HydrophobicContact CD2-CG1 4.2Å; F245-I251 HydrophobicContact CG-CD1 4.42Å; F245-I251 HydrophobicContact CG-CG1 3.68Å; S247-I251 PolarHBondContact O-N 2.57Å; I248-I251 WeakPolarHBondContact O-CB 3.42Å; I248-I251 PolarHBondContact O-N 3.07Å; I251-Y254 PolarHBondContact O-N 2.77Å; I251-L255 VanDerWaalsContact O-CB 3.26Å; I251-L255 WeakPolarHBondContact O-CB 3.48Å; I251-L255 PolarHBondContact O-N 3.03Å
252I86.1Confident85.5Confident8 Ų864.7 Ų64.74%0.04133%0.334CS..Hα-helixtrans-67.3-45178.6-56.3171.4000111.2I248 T249 D250 Y254 L255 C256 I267 L271 L278I248-I252 HydrophobicContact CG2-CD1 3.88Å; I248-I252 HydrophobicContact CG2-CG1 4.25Å; I248-I252 WeakPolarHBondContact O-CG1 3.5Å; I248-I252 PolarHBondContact O-N 3.39Å; T249-I252 PolarHBondContact O-N 3.38Å; D250-I252 VanDerWaalsContact C-N 3.32Å; D250-I252 PolarHBondContact O-N 3.23Å; I252-Y254 VanDerWaalsContact C-N 3.31Å; I252-Y254 PolarHBondContact O-N 3.39Å; I252-L255 PolarHBondContact O-N 2.79Å; I252-C256 VanDerWaalsContact O-CB 3.27Å; I252-C256 WeakPolarHBondContact O-CB 3.36Å; I252-C256 PolarHBondContact O-N 2.87Å; I252-C256 PolarHBondContact O-SG 3.41Å; I252-C256 VanDerWaalsContact O-SG 3.34Å; I252-I267 HydrophobicContact CG2-CG2 4.29Å; I252-L271 HydrophobicContact CB-CD1 4.32Å; I252-L271 HydrophobicContact CD1-CB 3.84Å; I252-L271 HydrophobicContact CD1-CD1 3.5Å; I252-L271 HydrophobicContact CD1-CG 4.31Å; I252-L271 HydrophobicContact CG1-CD1 3.49Å; I252-L271 VanDerWaalsContact CG1-CD1 3.49Å; I252-L271 HydrophobicContact CG2-CD1 3.87Å; I252-L278 HydrophobicContact CB-CD2 4.2Å; I252-L278 HydrophobicContact CG2-CD1 3.78Å; I252-L278 HydrophobicContact CG2-CD2 3.7Å; I252-L278 HydrophobicContact CG2-CG 4.37Å
253K86.7Confident85.6Confident62 Ų6257.6 Ų57.627%0.2730%0.297SS..Hα-helixtrans-57.3-44.8175.2-73.4165.1-165.9163.20111.4T249 D250 H257 L278 Y313T249-K253 WeakPolarHBondContact O-CB 3.48Å; T249-K253 WeakPolarHBondContact O-CG 3.27Å; T249-K253 PolarHBondContact O-N 3.11Å; D250-K253 PolarHBondContact O-N 3.47Å; D250-K253 IonicContact OD1-NZ 2.97Å; D250-K253 PolarHBondContact OD1-NZ 3.19Å; K253-H257 PolarHBondContact O-N 3.31Å; K253-L278 HydrophobicContact CB-CD2 4.28Å; K253-L278 HydrophobicContact CG-CD2 3.7Å; K253-Y313 HydrophobicContact CD-CE1 4.31Å; K253-Y313 WeakPolarHBondContact CD-OH 3.49Å; K253-Y313 PolarHBondContact NZ-OH 2.78Å
254Y88.5Confident85.9Confident31 Ų3154.6 Ų54.612%0.12228%0.282CS..Hα-helixtrans-61.6-46.6177.5-168.1-75.3000111N231 G234 L235 F245 D250 I251 I252 H257N231-Y254 WeakPolarHBondContact O-CE1 3.48Å; G234-Y254 VanDerWaalsContact C-OH 3.29Å; G234-Y254 PolarHBondContact O-OH 3.31Å; L235-Y254 HydrophobicContact CB-CD1 3.94Å; L235-Y254 HydrophobicContact CB-CE1 4.02Å; L235-Y254 HydrophobicContact CD1-CD1 4.47Å; L235-Y254 VanDerWaalsContact N-CE1 3.35Å; F245-Y254 HydrophobicContact CE1-CD2 4.18Å; F245-Y254 HydrophobicContact CE1-CG 4.42Å; D250-Y254 VanDerWaalsContact O-CB 3.3Å; D250-Y254 WeakPolarHBondContact O-CB 3.24Å; D250-Y254 PolarHBondContact O-N 3.35Å; I251-Y254 PolarHBondContact O-N 2.77Å; I252-Y254 VanDerWaalsContact C-N 3.31Å; I252-Y254 PolarHBondContact O-N 3.39Å; Y254-H257 VanDerWaalsContact O-CB 3.25Å; Y254-H257 WeakPolarHBondContact O-CB 3.32Å; Y254-H257 PolarHBondContact O-N 3.39Å
255L89.3Confident86Confident7 Ų750.2 Ų50.24%0.03726%0.264CS..Hα-helixtrans-74.6-32.2-174.4-16550000112.9L158 L228 N231 Y232 L235 I251 I252 H257L158-L255 HydrophobicContact CD1-CD2 3.5Å; L158-L255 VanDerWaalsContact CD1-CD2 3.5Å; L158-L255 HydrophobicContact CD2-CB 4.28Å; L158-L255 HydrophobicContact CD2-CD2 3.35Å; L158-L255 HydrophobicContact CD2-CG 3.5Å; L158-L255 HydrophobicContact CG-CD2 4.07Å; L228-L255 HydrophobicContact CD1-CD1 3.56Å; L228-L255 HydrophobicContact CD1-CG 3.71Å; N231-L255 HydrophobicContact CB-CD1 3.88Å; N231-L255 PolarHBondContact ND2-O 3.02Å; Y232-L255 HydrophobicContact CD2-CD1 4.47Å; L235-L255 HydrophobicContact CD2-CD2 4.07Å; I251-L255 VanDerWaalsContact O-CB 3.26Å; I251-L255 WeakPolarHBondContact O-CB 3.48Å; I251-L255 PolarHBondContact O-N 3.03Å; I252-L255 PolarHBondContact O-N 2.79Å; L255-H257 VanDerWaalsContact C-N 3.32Å
256C89.5Confident85.9Confident8 Ų850.5 Ų50.55%0.05427%0.265CS..THydrogen-bonded Turntrans-80.9-3.1173.5-66.40000114.5I252 G258 L259 T264 I267I252-C256 VanDerWaalsContact O-CB 3.27Å; I252-C256 WeakPolarHBondContact O-CB 3.36Å; I252-C256 PolarHBondContact O-N 2.87Å; I252-C256 PolarHBondContact O-SG 3.41Å; I252-C256 VanDerWaalsContact O-SG 3.34Å; C256-G258 PolarHBondContact O-N 3.03Å; C256-L259 WeakPolarHBondContact O-CB 3.33Å; C256-L259 WeakPolarHBondContact O-CG 3.32Å; C256-L259 PolarHBondContact O-N 3.02Å; C256-L259 VanDerWaalsContact O-N 3.11Å; C256-T264 HydrophobicContact CB-CG2 3.96Å; C256-I267 VanDerWaalsContact SG-CG2 3.55Å
257H88.6Confident85.8Confident90 Ų9042.7 Ų42.742%0.41723%0.229SC..THydrogen-bonded Turntrans-58122.5-174.1-174.581.4000112.2N231 K253 Y254 L255 L259N231-H257 PolarHBondContact ND2-O 3.13Å; K253-H257 PolarHBondContact O-N 3.31Å; Y254-H257 VanDerWaalsContact O-CB 3.25Å; Y254-H257 WeakPolarHBondContact O-CB 3.32Å; Y254-H257 PolarHBondContact O-N 3.39Å; L255-H257 VanDerWaalsContact C-N 3.32Å; H257-L259 VanDerWaalsContact C-N 3.26Å; H257-L259 PolarHBondContact O-N 3.19Å
258G88.5Confident85.5Confident31 Ų3140.7 Ų40.732%0.3222%0.215SC..THydrogen-bonded Turntrans70.211.3179.300000115.8R227 C256R227-G258 VanDerWaalsContact CD-O 3.3Å; R227-G258 WeakPolarHBondContact CD-O 3.15Å; R227-G258 PolarHBondContact NH1-O 3.32Å; C256-G258 PolarHBondContact O-N 3.03Å
259L90.1Very high84.9Confident16 Ų1638.9 Ų38.98%0.08422%0.217CC..  trans-76165.2168.7-58.3-175000111.3R227 L228 C256 H257 T263 I267R227-L259 HydrophobicContact CB-CD2 3.74Å; L228-L259 HydrophobicContact CB-CD2 4.15Å; L228-L259 HydrophobicContact CD1-CD1 4.19Å; C256-L259 WeakPolarHBondContact O-CB 3.33Å; C256-L259 WeakPolarHBondContact O-CG 3.32Å; C256-L259 PolarHBondContact O-N 3.02Å; C256-L259 VanDerWaalsContact O-N 3.11Å; H257-L259 VanDerWaalsContact C-N 3.26Å; H257-L259 PolarHBondContact O-N 3.19Å; L259-T263 HydrophobicContact CB-CG2 4.39Å; L259-T263 HydrophobicContact CD1-CG2 3.91Å; L259-I267 HydrophobicContact CD1-CD1 3.48Å; L259-I267 VanDerWaalsContact CD1-CD1 3.48Å
260S88.7Confident84.2Confident36 Ų3637.1 Ų37.125%0.25221%0.207SC..  trans-66.4154174.473.40000110.8E224 I262 T263 T264E224-S260 WeakPolarHBondContact OE1-CB 3.29Å; E224-S260 PolarHBondContact OE1-OG 2.97Å; S260-I262 PolarHBondContact O-N 3.27Å; S260-T263 PolarHBondContact O-N 3.47Å; S260-T263 PolarHBondContact OG-N 3.42Å; S260-T263 VanDerWaalsContact OG-N 3.15Å; S260-T263 PolarHBondContact OG-OG1 2.89Å; S260-T263 VanDerWaalsContact OG-OG1 3.09Å; S260-T264 PolarHBondContact O-N 3.27Å; S260-T264 PolarHBondContact O-OG1 2.96Å
261Q86.2Confident83.4Confident91 Ų9138.1 Ų38.143%0.42521%0.213SC..Hα-helixtrans-52.4-40.1174.7-171.964.651.400112.1N265 M279Q261-N265 PolarHBondContact NE2-OD1 3.39Å; Q261-N265 VanDerWaalsContact O-CB 3.29Å; Q261-N265 WeakPolarHBondContact O-CB 3.18Å; Q261-N265 PolarHBondContact O-N 3.29Å; Q261-N265 PolarHBondContact O-OD1 3.31Å; Q261-M279 PolarHBondContact NE2-SD 2.9Å; Q261-M279 PolarHBondContact OE1-SD 3.48Å
262I84.8Confident82.3Confident109 Ų10944.5 Ų44.556%0.55924%0.241SC*.Hα-helixtrans-64.9-50.5-178-60.7173.2000109.6S260 N265 Q266S260-I262 PolarHBondContact O-N 3.27Å; I262-N265 PolarHBondContact O-N 2.99Å; I262-Q266 VanDerWaalsContact O-CG 3.28Å; I262-Q266 WeakPolarHBondContact O-CG 3.28Å; I262-Q266 PolarHBondContact O-N 3.11Å
263T86.1Confident81.2Confident6 Ų645.1 Ų45.14%0.03725%0.246CC..Hα-helixtrans-64.8-43177.9-58.30000112L220 E224 L259 S260 N265 Q266 I267L220-T263 HydrophobicContact CD2-CG2 3.68Å; E224-T263 VanDerWaalsContact CD-OG1 3.24Å; E224-T263 PolarHBondContact OE1-OG1 3.11Å; L259-T263 HydrophobicContact CB-CG2 4.39Å; L259-T263 HydrophobicContact CD1-CG2 3.91Å; S260-T263 PolarHBondContact O-N 3.47Å; S260-T263 PolarHBondContact OG-N 3.42Å; S260-T263 VanDerWaalsContact OG-N 3.15Å; S260-T263 PolarHBondContact OG-OG1 2.89Å; S260-T263 VanDerWaalsContact OG-OG1 3.09Å; T263-N265 VanDerWaalsContact C-N 3.32Å; T263-N265 PolarHBondContact O-N 3.24Å; T263-Q266 PolarHBondContact O-N 2.88Å; T263-I267 HydrophobicContact CG2-CD1 3.75Å; T263-I267 HydrophobicContact CG2-CG1 4.39Å; T263-I267 WeakPolarHBondContact O-CD1 3.35Å; T263-I267 VanDerWaalsContact O-CG1 3.26Å; T263-I267 WeakPolarHBondContact O-CG1 3.4Å; T263-I267 PolarHBondContact O-N 2.77Å
264T86.7Confident79.8Confident5 Ų546.6 Ų46.63%0.03126%0.257CS..Hα-helixtrans-61.5-39.9176.2-61.50000111.7C256 S260 I267 A268 M279C256-T264 HydrophobicContact CB-CG2 3.96Å; S260-T264 PolarHBondContact O-N 3.27Å; S260-T264 PolarHBondContact O-OG1 2.96Å; T264-I267 PolarHBondContact O-N 2.88Å; T264-A268 VanDerWaalsContact O-CB 3.24Å; T264-A268 WeakPolarHBondContact O-CB 3.44Å; T264-A268 PolarHBondContact O-N 2.81Å; T264-M279 HydrophobicContact CG2-CE 3.73Å
265N82.6Confident78.3Confident67 Ų6747.8 Ų47.836%0.35827%0.269SS..Hα-helixtrans-67.9-39175.4-71.8-3.2000112.2Q261 I262 T263 A268 A269Q261-N265 PolarHBondContact NE2-OD1 3.39Å; Q261-N265 VanDerWaalsContact O-CB 3.29Å; Q261-N265 WeakPolarHBondContact O-CB 3.18Å; Q261-N265 PolarHBondContact O-N 3.29Å; Q261-N265 PolarHBondContact O-OD1 3.31Å; I262-N265 PolarHBondContact O-N 2.99Å; T263-N265 VanDerWaalsContact C-N 3.32Å; T263-N265 PolarHBondContact O-N 3.24Å; N265-A268 PolarHBondContact O-N 2.85Å; N265-A269 WeakPolarHBondContact O-CB 3.26Å; N265-A269 PolarHBondContact O-N 3.44Å
266Q80.2Confident76.5Confident49 Ų4951.4 Ų51.423%0.22930%0.295CS..Hα-helixtrans-62.3-45.3174.9-73.9168.7-6.100111.4F216 I262 T263 A270F216-Q266 HydrophobicContact CE1-CB 4.41Å; F216-Q266 HydrophobicContact CE1-CG 4.2Å; F216-Q266 HydrophobicContact CZ-CB 4.16Å; F216-Q266 HydrophobicContact CZ-CG 4.07Å; I262-Q266 VanDerWaalsContact O-CG 3.28Å; I262-Q266 WeakPolarHBondContact O-CG 3.28Å; I262-Q266 PolarHBondContact O-N 3.11Å; T263-Q266 PolarHBondContact O-N 2.88Å; Q266-A270 WeakPolarHBondContact O-CB 3.47Å; Q266-A270 PolarHBondContact O-N 2.85Å
267I78.3Confident74.9Confident2 Ų259.6 Ų59.61%0.0132%0.324CS..Hα-helixtrans-62.8-49.2174.6-65.1160.7000110.3L158 I252 C256 L259 T263 T264 A269 A270 L271L158-I267 HydrophobicContact CB-CG1 4.16Å; L158-I267 HydrophobicContact CB-CG2 4.3Å; L158-I267 HydrophobicContact CD2-CD1 4.05Å; L158-I267 HydrophobicContact CD2-CG1 4.19Å; L158-I267 HydrophobicContact CD2-CG2 3.66Å; L158-I267 HydrophobicContact CG-CG2 3.91Å; L158-I267 VanDerWaalsContact O-CG1 3.3Å; L158-I267 WeakPolarHBondContact O-CG1 3.34Å; I252-I267 HydrophobicContact CG2-CG2 4.29Å; C256-I267 VanDerWaalsContact SG-CG2 3.55Å; L259-I267 HydrophobicContact CD1-CD1 3.48Å; L259-I267 VanDerWaalsContact CD1-CD1 3.48Å; T263-I267 HydrophobicContact CG2-CD1 3.75Å; T263-I267 HydrophobicContact CG2-CG1 4.39Å; T263-I267 WeakPolarHBondContact O-CD1 3.35Å; T263-I267 VanDerWaalsContact O-CG1 3.26Å; T263-I267 WeakPolarHBondContact O-CG1 3.4Å; T263-I267 PolarHBondContact O-N 2.77Å; T264-I267 PolarHBondContact O-N 2.88Å; I267-A269 VanDerWaalsContact C-N 3.27Å; I267-A269 PolarHBondContact O-N 2.94Å; I267-A270 WeakPolarHBondContact O-CB 3.34Å; I267-A270 PolarHBondContact O-N 2.67Å; I267-A270 VanDerWaalsContact O-N 3.1Å; I267-L271 HydrophobicContact CG2-CD1 3.58Å; I267-L271 HydrophobicContact CG2-CG 4.15Å; I267-L271 WeakPolarHBondContact O-CB 3.3Å; I267-L271 VanDerWaalsContact O-CG 3.27Å; I267-L271 WeakPolarHBondContact O-CG 3.31Å; I267-L271 PolarHBondContact O-N 3.41Å
268A75.6Confident73.3Confident0 Ų056.6 Ų56.60%031%0.311CS..Hα-helixtrans-57.4-42.2-178.300000112T264 N265 L271 Q272 S273 P275 L278T264-A268 VanDerWaalsContact O-CB 3.24Å; T264-A268 WeakPolarHBondContact O-CB 3.44Å; T264-A268 PolarHBondContact O-N 2.81Å; N265-A268 PolarHBondContact O-N 2.85Å; A268-L271 PolarHBondContact O-N 2.87Å; A268-Q272 PolarHBondContact O-N 2.72Å; A268-S273 WeakPolarHBondContact CA-OG 3.3Å; A268-S273 PolarHBondContact O-N 2.73Å; A268-S273 PolarHBondContact O-OG 3Å; A268-S273 VanDerWaalsContact O-OG 3.05Å; A268-P275 HydrophobicContact CB-CB 4.11Å; A268-L278 HydrophobicContact CB-CD1 3.63Å
269A71.7Confident71.8Confident75 Ų7558 Ų5862%0.6231%0.31SS*.Hα-helixtrans-66.6-42.917500000112.7N265 I267 L271 Q272N265-A269 WeakPolarHBondContact O-CB 3.26Å; N265-A269 PolarHBondContact O-N 3.44Å; I267-A269 VanDerWaalsContact C-N 3.27Å; I267-A269 PolarHBondContact O-N 2.94Å; A269-L271 PolarHBondContact O-N 2.73Å; A269-Q272 PolarHBondContact O-N 2.91Å
270A67.9Low70.1Confident15 Ų1565.5 Ų65.512%0.12434%0.342CS..Hα-helixtrans-61.2-31.9175.900000112.9Q266 I267Q266-A270 WeakPolarHBondContact O-CB 3.47Å; Q266-A270 PolarHBondContact O-N 2.85Å; I267-A270 WeakPolarHBondContact O-CB 3.34Å; I267-A270 PolarHBondContact O-N 2.67Å; I267-A270 VanDerWaalsContact O-N 3.1Å
271L68.5Low68.2Low36 Ų3669 Ų6919%0.18835%0.354CS..THydrogen-bonded Turntrans-95.79-177.7-58.1-176.9000114L158 I163 I252 I267 A268 A269 S273L158-L271 HydrophobicContact CG-CD1 4.39Å; I163-L271 HydrophobicContact CD1-CD2 3.36Å; I163-L271 HydrophobicContact CG1-CD2 4.25Å; I252-L271 HydrophobicContact CB-CD1 4.32Å; I252-L271 HydrophobicContact CD1-CB 3.84Å; I252-L271 HydrophobicContact CD1-CD1 3.5Å; I252-L271 HydrophobicContact CD1-CG 4.31Å; I252-L271 HydrophobicContact CG1-CD1 3.49Å; I252-L271 VanDerWaalsContact CG1-CD1 3.49Å; I252-L271 HydrophobicContact CG2-CD1 3.87Å; I267-L271 HydrophobicContact CG2-CD1 3.58Å; I267-L271 HydrophobicContact CG2-CG 4.15Å; I267-L271 WeakPolarHBondContact O-CB 3.3Å; I267-L271 VanDerWaalsContact O-CG 3.27Å; I267-L271 WeakPolarHBondContact O-CG 3.31Å; I267-L271 PolarHBondContact O-N 3.41Å; A268-L271 PolarHBondContact O-N 2.87Å; A269-L271 PolarHBondContact O-N 2.73Å; L271-S273 PolarHBondContact O-N 3.19Å
272Q64.4Low66Low190 Ų19071.8 Ų71.889%0.88837%0.367SS*.THydrogen-bonded Turntrans53.125.7-177.3-54.3-178.427.900114A268 A269A268-Q272 PolarHBondContact O-N 2.72Å; A269-Q272 PolarHBondContact O-N 2.91Å
273S61.9Low63.9Low21 Ų2173.5 Ų73.515%0.14738%0.382CS..  trans-97.6134.6-178.762.80000110.7A268 L271 P275 L278A268-S273 WeakPolarHBondContact CA-OG 3.3Å; A268-S273 PolarHBondContact O-N 2.73Å; A268-S273 PolarHBondContact O-OG 3Å; A268-S273 VanDerWaalsContact O-OG 3.05Å; L271-S273 PolarHBondContact O-N 3.19Å; S273-P275 VanDerWaalsContact O-CD 3.28Å; S273-P275 WeakPolarHBondContact O-CD 3.44Å; S273-P275 VanDerWaalsContact O-N 3.09Å; S273-L278 WeakPolarHBondContact OG-CD1 3.39Å
274D56.9Low61.5Low94 Ų9479.3 Ų79.350%0.50342%0.423SS..  trans-53.1114.3175.5-96-32.2000110.6S276 R277D274-S276 PolarHBondContact O-N 3.35Å; D274-S276 VanDerWaalsContact O-N 3.15Å; D274-R277 HydrophobicContact CB-CB 4.2Å; D274-R277 HydrophobicContact CB-CG 3.77Å; D274-R277 PolarHBondContact O-N 3.48Å; D274-R277 IonicContact OD2-NE 3.38Å; D274-R277 PolarHBondContact OD2-NE 2.91Å
275P57.3Low58.9Low56 Ų5682.8 Ų82.836%0.36446%0.461SS..Hα-helixtrans-60.8-29.7178.723.4-32.6000111.6A268 S273 R277 L278 M279A268-P275 HydrophobicContact CB-CB 4.11Å; S273-P275 VanDerWaalsContact O-CD 3.28Å; S273-P275 WeakPolarHBondContact O-CD 3.44Å; S273-P275 VanDerWaalsContact O-N 3.09Å; P275-R277 PolarHBondContact O-N 3.16Å; P275-L278 PolarHBondContact O-N 2.81Å; P275-L278 VanDerWaalsContact O-N 3.12Å; P275-M279 PolarHBondContact O-N 3.13Å
276S52.8Low56.5Low83 Ų8385.1 Ų85.158%0.5848%0.482SS*.Hα-helixtrans-63.7-15.8174.1-55.10000114.8D274D274-S276 PolarHBondContact O-N 3.35Å; D274-S276 VanDerWaalsContact O-N 3.15Å
277R55.5Low54.3Low179 Ų17990.8 Ų90.868%0.67551%0.514SS*.Hα-helixtrans-93.2-19.7173.8-66.2-176.1-175.7-131.7-1.2113.2D274 P275D274-R277 HydrophobicContact CB-CB 4.2Å; D274-R277 HydrophobicContact CB-CG 3.77Å; D274-R277 PolarHBondContact O-N 3.48Å; D274-R277 IonicContact OD2-NE 3.38Å; D274-R277 PolarHBondContact OD2-NE 2.91Å; P275-R277 PolarHBondContact O-N 3.16Å
278L54.2Low52.2Low27 Ų2799.1 Ų99.114%0.14155%0.553CS.*Hα-helixtrans-86-18178.6-86.9152.3000113.6I252 K253 A268 S273 P275I252-L278 HydrophobicContact CB-CD2 4.2Å; I252-L278 HydrophobicContact CG2-CD1 3.78Å; I252-L278 HydrophobicContact CG2-CD2 3.7Å; I252-L278 HydrophobicContact CG2-CG 4.37Å; K253-L278 HydrophobicContact CB-CD2 4.28Å; K253-L278 HydrophobicContact CG-CD2 3.7Å; A268-L278 HydrophobicContact CB-CD1 3.63Å; S273-L278 WeakPolarHBondContact OG-CD1 3.39Å; P275-L278 PolarHBondContact O-N 2.81Å; P275-L278 VanDerWaalsContact O-N 3.12Å
279M57.9Low50.3Low61 Ų61105.8 Ų105.830%0.359%0.589SS.*SBendtrans-102.8-2.5-166.7-87.1-70.613200116.7Q261 T264 P275 H281Q261-M279 PolarHBondContact NE2-SD 2.9Å; Q261-M279 PolarHBondContact OE1-SD 3.48Å; T264-M279 HydrophobicContact CG2-CE 3.73Å; P275-M279 PolarHBondContact O-N 3.13Å; M279-H281 VanDerWaalsContact C-N 3.28Å; M279-H281 PolarHBondContact O-N 3.08Å; M279-H281 VanDerWaalsContact O-N 3.14Å
280K54.3Low48.5Very low174 Ų174108.3 Ų108.376%0.75759%0.592SS**SBendtrans-78.89.1-168.6-76-173.1173.2-171.40117.1
281H47.8Very low46.8Very low109 Ų109114.3 Ų114.351%0.50562%0.621SS.*SBendtrans-131.754.8178.1-70.5-58.9000113.7M279 T314M279-H281 VanDerWaalsContact C-N 3.28Å; M279-H281 PolarHBondContact O-N 3.08Å; M279-H281 VanDerWaalsContact O-N 3.14Å; H281-T314 HydrophobicContact CB-CG2 4.44Å; H281-T314 VanDerWaalsContact CE1-CG2 3.49Å; H281-T314 WeakPolarHBondContact CE1-CG2 3.33Å
282Q41.6Very low45.2Very low149 Ų149120 Ų12070%0.69665%0.651SS**SBendtrans-136.7139.4151.5-63.2-169.823.700108.3
283V39.7Very low43.7Very low145 Ų145116.7 Ų116.788%0.87965%0.647SS**  trans71.978.4-175.8-161.70000115.9
284S36.8Very low42.3Very low128 Ų128122.4 Ų122.490%0.89568%0.676SS**  trans-132107140.9-79.50000106.7
285G30.2Very low41.4Very low79 Ų79125.9 Ų125.981%0.81469%0.694SS**  trans-83.9138.3-168.700000113.3
286S32.4Very low40.4Very low116 Ų116126.9 Ų126.981%0.81170%0.703SS**  trans-99.698.4157.143.70000109.1
287N35Very low39.9Very low167 Ų167133.1 Ų133.189%0.89372%0.715SS**  trans-148.998.3152.5-98.2-28.6000106.5
288E34.5Very low39Very low178 Ų178133.8 Ų133.883%0.83272%0.723SS**  trans-57.5138.7169.4-56.3179138.300108.9
289N35.5Very low38.2Very low140 Ų140137.9 Ų137.975%0.74975%0.754SS**  175.9126127.4-93.8-60000111.9
290N32.6Very low37.1Very low128 Ų128140 Ų14068%0.68478%0.775SS**  trans71.5118.5143.7-66.3-31.8000122.3
291L33.1Very low36.2Very low141 Ų141137.2 Ų137.274%0.73878%0.777SS**  trans78.587.4130.5-68.5163.8000119.7
292L35.1Very low35.7Very low155 Ų155137.1 Ų137.181%0.81280%0.795SS**  5794.8103.7-161.5153.8000117.2
293C32.6Very low35.3Very low120 Ų120135.9 Ų135.981%0.81180%0.803SS**  -152.9138.8124.669.30000111.7
294D32.5Very low35.4Very low142 Ų142134.5 Ų134.576%0.75980%0.8SS**  trans-71.5145.9176.1-73.4-73.1000112.5
295N38.9Very low35.5Very low166 Ų166133.6 Ų133.689%0.88879%0.794SS**  trans-144.890.5141-99.1-45000109.6
296S36.4Very low36.1Very low77 Ų77135.5 Ų135.554%0.53879%0.792SS.*  trans-61.4142.4167.361.90000110.9
297Y41.5Very low36.6Very low214 Ų214134.3 Ų134.384%0.83978%0.779SS**  -173109.4116.1-85.3-57.6000111.5
298K36.1Very low37Very low194 Ų194133.5 Ų133.584%0.84378%0.775SS**  trans23.1124151.3-70.3174.7171.3175.90119.6
299S37.8Very low37.5Very low113 Ų113130.6 Ų130.679%0.7977%0.765SS**  -164.6111.6113-800000113.4
300S35.2Very low37.8Very low105 Ų105128.5 Ų128.573%0.73475%0.754SS**  trans38.5121.5146.454.60000123.1
301S34.5Very low38.4Very low115 Ų115126.8 Ų126.880%0.80475%0.748SS**  trans62.7105.5134.464.40000121.3
302A37.5Very low38.9Very low108 Ų108122.3 Ų122.389%0.89373%0.729SS**  -170.5140.7104.400000110.5
303S34.3Very low39.3Very low123 Ų123117.6 Ų117.686%0.8670%0.701SS**  trans-98.3126.7-177.9530000112.3
304S41.2Very low39.9Very low115 Ų115113.6 Ų113.680%0.80467%0.672SS**  trans-152.4112.6156.457.70000109.7
305S37.7Very low40.7Very low110 Ų110112 Ų11277%0.76966%0.66SS**PPolyproline II helixtrans-65.9141.6174.2-43.30000110.7
306P43.5Very low41.4Very low119 Ų119109.8 Ų109.877%0.77364%0.643SS**PPolyproline II helixtrans-65.4134.4160.3-1127.1000108.7
307T42.3Very low41.9Very low90 Ų90108.1 Ų108.155%0.55263%0.628SS**PPolyproline II helixtrans-83.8151.617150.50000110.3D309T307-D309 PolarHBondContact O-N 3.26Å; T307-D309 PolarHBondContact OG1-OD2 3.37Å
308D44.6Very low42.2Very low151 Ų151103.9 Ų103.981%0.80762%0.615SS**THydrogen-bonded Turntrans-64.7-6.4-173.9-61.6-69.8000114.6
309D43.6Very low42.9Very low116 Ų116100 Ų10062%0.6260%0.6SS**Hα-helixtrans-68.1-33.9-176.7-57.1-63.6000114.1T307 V311 S312 Y313T307-D309 PolarHBondContact O-N 3.26Å; T307-D309 PolarHBondContact OG1-OD2 3.37Å; D309-V311 VanDerWaalsContact C-N 3.28Å; D309-V311 PolarHBondContact O-N 3.11Å; D309-S312 WeakPolarHBondContact O-CB 3.37Å; D309-S312 PolarHBondContact O-N 3.41Å; D309-S312 VanDerWaalsContact O-N 3.15Å; D309-Y313 PolarHBondContact O-N 2.77Å
310D42.6Very low43.4Very low97 Ų9797.3 Ų97.352%0.51958%0.577SS.*Hα-helixtrans-66.2-28.6-175-84.4-22.9000112.8T314D310-T314 PolarHBondContact O-N 3.01Å; D310-T314 PolarHBondContact O-OG1 3.39Å
311V45.7Very low44.2Very low92 Ų9294.5 Ų94.556%0.55856%0.555SS**Hα-helixtrans-73-40.5175.4-174.90000110.4D309 Y313 T314 E315D309-V311 VanDerWaalsContact C-N 3.28Å; D309-V311 PolarHBondContact O-N 3.11Å; V311-Y313 VanDerWaalsContact C-N 3.33Å; V311-Y313 PolarHBondContact O-N 3.04Å; V311-T314 PolarHBondContact O-N 3.16Å; V311-T314 PolarHBondContact O-OG1 2.88Å; V311-T314 VanDerWaalsContact O-OG1 3.07Å; V311-E315 PolarHBondContact O-N 3.07Å; V311-E315 VanDerWaalsContact O-N 3.09Å
312S43.9Very low45Very low47 Ų4794 Ų9433%0.32954%0.543SS..Hα-helixtrans-61.1-40.1178.7-170.40000112.5D309 K316D309-S312 WeakPolarHBondContact O-CB 3.37Å; D309-S312 PolarHBondContact O-N 3.41Å; D309-S312 VanDerWaalsContact O-N 3.15Å; S312-K316 WeakPolarHBondContact O-CB 3.21Å; S312-K316 WeakPolarHBondContact O-CD 3.41Å; S312-K316 WeakPolarHBondContact O-CG 3.11Å; S312-K316 PolarHBondContact O-N 3.19Å; S312-K316 WeakPolarHBondContact OG-CE 3.41Å; S312-K316 PolarHBondContact OG-NZ 2.86Å
313Y42.7Very low45.6Very low56 Ų5697 Ų9722%0.2253%0.53CS..Hα-helixtrans-68.8-42.3-179-176.5-89.7000112.4D250 K253 D309 V311 K316 I317D250-Y313 PolarHBondContact OD1-OH 3.28Å; K253-Y313 HydrophobicContact CD-CE1 4.31Å; K253-Y313 WeakPolarHBondContact CD-OH 3.49Å; K253-Y313 PolarHBondContact NZ-OH 2.78Å; D309-Y313 PolarHBondContact O-N 2.77Å; V311-Y313 VanDerWaalsContact C-N 3.33Å; V311-Y313 PolarHBondContact O-N 3.04Å; Y313-K316 PolarHBondContact O-N 3.38Å; Y313-I317 HydrophobicContact CD1-CD1 3.93Å; Y313-I317 HydrophobicContact CE1-CD1 3.26Å; Y313-I317 HydrophobicContact CE1-CG1 4.24Å; Y313-I317 PolarHBondContact O-N 3.34Å
314T46.4Very low46.2Very low36 Ų3692.2 Ų92.222%0.22150%0.497CS..Hα-helixtrans-68.1-40.3177.955.70000112.4H281 D310 V311 I317 Q318H281-T314 HydrophobicContact CB-CG2 4.44Å; H281-T314 VanDerWaalsContact CE1-CG2 3.49Å; H281-T314 WeakPolarHBondContact CE1-CG2 3.33Å; D310-T314 PolarHBondContact O-N 3.01Å; D310-T314 PolarHBondContact O-OG1 3.39Å; V311-T314 PolarHBondContact O-N 3.16Å; V311-T314 PolarHBondContact O-OG1 2.88Å; V311-T314 VanDerWaalsContact O-OG1 3.07Å; T314-I317 PolarHBondContact O-N 3.49Å; T314-Q318 WeakPolarHBondContact O-CG 3.14Å; T314-Q318 PolarHBondContact O-N 3.01Å
315E48.9Very low46.4Very low107 Ų10788.8 Ų88.850%0.547%0.474SS..Hα-helixtrans-62.8-42.9172.4-75.4-164.3143.700112.4V311 I317 Q318 Q319V311-E315 PolarHBondContact O-N 3.07Å; V311-E315 VanDerWaalsContact O-N 3.09Å; E315-I317 VanDerWaalsContact C-N 3.34Å; E315-I317 PolarHBondContact O-N 3.45Å; E315-Q318 PolarHBondContact O-N 2.96Å; E315-Q319 WeakPolarHBondContact O-CB 3.02Å; E315-Q319 WeakPolarHBondContact O-CG 3.44Å; E315-Q319 PolarHBondContact O-N 3.25Å
316K52.4Low46.7Very low120 Ų12088.5 Ų88.552%0.52246%0.463SS..Hα-helixtrans-59.9-42.3175.8-76.8167.1-176167.10112S312 Y313 N320S312-K316 WeakPolarHBondContact O-CB 3.21Å; S312-K316 WeakPolarHBondContact O-CD 3.41Å; S312-K316 WeakPolarHBondContact O-CG 3.11Å; S312-K316 PolarHBondContact O-N 3.19Å; S312-K316 WeakPolarHBondContact OG-CE 3.41Å; S312-K316 PolarHBondContact OG-NZ 2.86Å; Y313-K316 PolarHBondContact O-N 3.38Å; K316-N320 WeakPolarHBondContact O-CB 3.23Å; K316-N320 VanDerWaalsContact O-CG 3.24Å; K316-N320 PolarHBondContact O-N 3.39Å; K316-N320 PolarHBondContact O-ND2 3.39Å
317I47.1Very low46.7Very low43 Ų4387 Ų8722%0.22145%0.447CS..Hα-helixtrans-64.8-46.6174.7-71.5-178.4000110.8Y313 T314 E315 Q319 N320 V321Y313-I317 HydrophobicContact CD1-CD1 3.93Å; Y313-I317 HydrophobicContact CE1-CD1 3.26Å; Y313-I317 HydrophobicContact CE1-CG1 4.24Å; Y313-I317 PolarHBondContact O-N 3.34Å; T314-I317 PolarHBondContact O-N 3.49Å; E315-I317 VanDerWaalsContact C-N 3.34Å; E315-I317 PolarHBondContact O-N 3.45Å; I317-Q319 PolarHBondContact O-N 2.84Å; I317-N320 CarbonylContact O-C 3.58Å; I317-N320 PolarHBondContact O-N 3.09Å; I317-N320 VanDerWaalsContact O-N 3.13Å; I317-V321 HydrophobicContact CG2-CG2 4.31Å; I317-V321 WeakPolarHBondContact O-CG2 3.47Å; I317-V321 PolarHBondContact O-N 2.84Å
318Q48.3Very low46.8Very low124 Ų12488.5 Ų88.558%0.57944%0.443SS*.Hα-helixtrans-60.7-44.1177.3-73.8-176.91.500111.8T314 E315 N320 V321 I322T314-Q318 WeakPolarHBondContact O-CG 3.14Å; T314-Q318 PolarHBondContact O-N 3.01Å; E315-Q318 PolarHBondContact O-N 2.96Å; Q318-N320 VanDerWaalsContact C-N 3.3Å; Q318-N320 PolarHBondContact O-N 3.18Å; Q318-V321 PolarHBondContact O-N 3.44Å; Q318-I322 WeakPolarHBondContact O-CB 3.39Å; Q318-I322 VanDerWaalsContact O-CG1 3.25Å; Q318-I322 WeakPolarHBondContact O-CG1 3.43Å; Q318-I322 PolarHBondContact O-N 3.09Å
319Q51.1Low46.6Very low114 Ų11486 Ų8653%0.53343%0.43SS..Hα-helixtrans-61-37.6174.1-73.3-17626.900111.8E315 I317 I322 R323E315-Q319 WeakPolarHBondContact O-CB 3.02Å; E315-Q319 WeakPolarHBondContact O-CG 3.44Å; E315-Q319 PolarHBondContact O-N 3.25Å; I317-Q319 PolarHBondContact O-N 2.84Å; Q319-I322 PolarHBondContact O-N 3.44Å; Q319-R323 WeakPolarHBondContact O-CB 3.41Å; Q319-R323 PolarHBondContact O-N 3.34Å
320N47.9Very low46.6Very low56 Ų5685 Ų8530%0.29942%0.42SS..Hα-helixtrans-73.3-31.4175.4-72.9-21.6000113.1K316 I317 Q318 S324K316-N320 WeakPolarHBondContact O-CB 3.23Å; K316-N320 VanDerWaalsContact O-CG 3.24Å; K316-N320 PolarHBondContact O-N 3.39Å; K316-N320 PolarHBondContact O-ND2 3.39Å; I317-N320 CarbonylContact O-C 3.58Å; I317-N320 PolarHBondContact O-N 3.09Å; I317-N320 VanDerWaalsContact O-N 3.13Å; Q318-N320 VanDerWaalsContact C-N 3.3Å; Q318-N320 PolarHBondContact O-N 3.18Å; N320-S324 VanDerWaalsContact O-CB 3.32Å; N320-S324 WeakPolarHBondContact O-CB 3.34Å; N320-S324 PolarHBondContact O-N 3.3Å; N320-S324 PolarHBondContact O-OG 3.45Å
321V51.8Low46.5Very low45 Ų4584.7 Ų84.727%0.27342%0.418SS..Hα-helixtrans-68.8-38.7170.4172.70000110.9I317 Q318 S324 S325 R328I317-V321 HydrophobicContact CG2-CG2 4.31Å; I317-V321 WeakPolarHBondContact O-CG2 3.47Å; I317-V321 PolarHBondContact O-N 2.84Å; Q318-V321 PolarHBondContact O-N 3.44Å; V321-S324 WeakPolarHBondContact CA-OG 3.4Å; V321-S324 PolarHBondContact O-OG 2.88Å; V321-S325 PolarHBondContact O-N 3.16Å; V321-S325 PolarHBondContact O-OG 3.34Å; V321-R328 PolarHBondContact O-NH2 3.3Å
322I51.5Low46.4Very low106 Ų10682.9 Ų82.954%0.54441%0.409SS..Hα-helixtrans-68.9-43173.4-67.8163.6000110.7Q318 Q319 S324 S325 L326Q318-I322 WeakPolarHBondContact O-CB 3.39Å; Q318-I322 VanDerWaalsContact O-CG1 3.25Å; Q318-I322 WeakPolarHBondContact O-CG1 3.43Å; Q318-I322 PolarHBondContact O-N 3.09Å; Q319-I322 PolarHBondContact O-N 3.44Å; I322-S324 VanDerWaalsContact C-N 3.32Å; I322-S324 PolarHBondContact O-N 3.28Å; I322-S325 WeakPolarHBondContact CA-OG 3.48Å; I322-S325 CarbonylContact O-C 3.57Å; I322-S325 PolarHBondContact O-N 3.19Å; I322-S325 VanDerWaalsContact O-N 3.13Å; I322-S325 PolarHBondContact O-OG 3Å; I322-L326 WeakPolarHBondContact O-CB 3.46Å; I322-L326 PolarHBondContact O-N 3.48Å
323R49.9Very low46.3Very low169 Ų16985.8 Ų85.864%0.63842%0.421SS*.Hα-helixtrans-65.2-37.4177.1-154.8178.9-158.8110.3-1.4110.9Q319 L326 L327Q319-R323 WeakPolarHBondContact O-CB 3.41Å; Q319-R323 PolarHBondContact O-N 3.34Å; R323-L326 PolarHBondContact O-N 3.44Å; R323-L327 WeakPolarHBondContact O-CB 3.47Å; R323-L327 VanDerWaalsContact O-CG 3.25Å; R323-L327 WeakPolarHBondContact O-CG 3.41Å; R323-L327 PolarHBondContact O-N 3Å
324S47.3Very low46.2Very low24 Ų2487.9 Ų87.917%0.16843%0.433CS..Hα-helixtrans-73.1-26.5171.461.80000113.5N320 V321 I322 R328N320-S324 VanDerWaalsContact O-CB 3.32Å; N320-S324 WeakPolarHBondContact O-CB 3.34Å; N320-S324 PolarHBondContact O-N 3.3Å; N320-S324 PolarHBondContact O-OG 3.45Å; V321-S324 WeakPolarHBondContact CA-OG 3.4Å; V321-S324 PolarHBondContact O-OG 2.88Å; I322-S324 VanDerWaalsContact C-N 3.32Å; I322-S324 PolarHBondContact O-N 3.28Å; S324-R328 WeakPolarHBondContact O-CG 3.38Å; S324-R328 PolarHBondContact O-N 2.96Å
325S45.5Very low46Very low43 Ų4394.9 Ų94.930%0.30146%0.455SS..Hα-helixtrans-73.5-36.4166.558.50000113.2V321 I322 L327 R328 N329V321-S325 PolarHBondContact O-N 3.16Å; V321-S325 PolarHBondContact O-OG 3.34Å; I322-S325 WeakPolarHBondContact CA-OG 3.48Å; I322-S325 CarbonylContact O-C 3.57Å; I322-S325 PolarHBondContact O-N 3.19Å; I322-S325 VanDerWaalsContact O-N 3.13Å; I322-S325 PolarHBondContact O-OG 3Å; S325-L327 VanDerWaalsContact C-N 3.3Å; S325-R328 WeakPolarHBondContact O-CB 3.32Å; S325-R328 PolarHBondContact O-N 3.27Å; S325-R328 VanDerWaalsContact O-N 3.16Å; S325-N329 PolarHBondContact O-N 3.46Å; S325-N329 PolarHBondContact O-OD1 3.49Å
326L43.5Very low45.6Very low103 Ų10395.1 Ų95.154%0.53946%0.459SS..Hα-helixtrans-67.6-35.6174.6-160.873.2000110.6I322 R323 N329 K330I322-L326 WeakPolarHBondContact O-CB 3.46Å; I322-L326 PolarHBondContact O-N 3.48Å; R323-L326 PolarHBondContact O-N 3.44Å; L326-N329 PolarHBondContact O-N 3.42Å; L326-K330 WeakPolarHBondContact O-CB 3.47Å; L326-K330 PolarHBondContact O-N 3.25Å
327L43.9Very low44.9Very low87 Ų8793.3 Ų93.346%0.45546%0.458SS..Hα-helixtrans-68.9-37.6167.8-74.6170.8000112.3R323 S325 N329 K330 L331R323-L327 WeakPolarHBondContact O-CB 3.47Å; R323-L327 VanDerWaalsContact O-CG 3.25Å; R323-L327 WeakPolarHBondContact O-CG 3.41Å; R323-L327 PolarHBondContact O-N 3Å; S325-L327 VanDerWaalsContact C-N 3.3Å; L327-N329 PolarHBondContact O-N 3.4Å; L327-K330 PolarHBondContact O-N 3.23Å; L327-L331 HydrophobicContact CB-CD1 4.16Å; L327-L331 VanDerWaalsContact O-CB 3.24Å; L327-L331 WeakPolarHBondContact O-CB 3.25Å; L327-L331 WeakPolarHBondContact O-CD1 3.25Å; L327-L331 PolarHBondContact O-N 2.79Å
328R43.2Very low44.5Very low122 Ų12296.5 Ų96.546%0.4648%0.475SS..Hα-helixtrans-55.5-40.1171.4-82.9179.4-78.3-99.4-6.3111.4V321 S324 S325 S332V321-R328 PolarHBondContact O-NH2 3.3Å; S324-R328 WeakPolarHBondContact O-CG 3.38Å; S324-R328 PolarHBondContact O-N 2.96Å; S325-R328 WeakPolarHBondContact O-CB 3.32Å; S325-R328 PolarHBondContact O-N 3.27Å; S325-R328 VanDerWaalsContact O-N 3.16Å; R328-S332 PolarHBondContact O-N 3.36Å; R328-S332 PolarHBondContact O-OG 3Å
329N41.5Very low43.9Very low100 Ų10098.1 Ų98.154%0.53548%0.483SS..Hα-helixtrans-78.9-35.3177.9-59.8-0.7000112.6S325 L326 L327 S332 D333S325-N329 PolarHBondContact O-N 3.46Å; S325-N329 PolarHBondContact O-OD1 3.49Å; L326-N329 PolarHBondContact O-N 3.42Å; L327-N329 PolarHBondContact O-N 3.4Å; N329-S332 PolarHBondContact O-OG 3.32Å; N329-D333 WeakPolarHBondContact O-CB 3.43Å; N329-D333 VanDerWaalsContact O-CG 3.22Å; N329-D333 PolarHBondContact O-N 2.89Å
330K44.1Very low43.1Very low95 Ų9599.1 Ų99.141%0.41349%0.491SS..Hα-helixtrans-75.8-27.9175.6-85.5-179159.7-74.30114.1L326 L327 D333 E334L326-K330 WeakPolarHBondContact O-CB 3.47Å; L326-K330 PolarHBondContact O-N 3.25Å; L327-K330 PolarHBondContact O-N 3.23Å; K330-D333 PolarHBondContact O-N 3.32Å; K330-E334 IonicContact NZ-OE1 2.6Å; K330-E334 PolarHBondContact NZ-OE1 2.86Å; K330-E334 IonicContact NZ-OE2 2.81Å; K330-E334 PolarHBondContact NZ-OE2 3.17Å; K330-E334 WeakPolarHBondContact O-CB 3.11Å; K330-E334 PolarHBondContact O-N 3.32Å
331L40.7Very low42.5Very low90 Ų90101 Ų10147%0.47150%0.5SS..Hα-helixtrans-77.1-25175.4-88.6137.3000112.8L327L327-L331 HydrophobicContact CB-CD1 4.16Å; L327-L331 VanDerWaalsContact O-CB 3.24Å; L327-L331 WeakPolarHBondContact O-CB 3.25Å; L327-L331 WeakPolarHBondContact O-CD1 3.25Å; L327-L331 PolarHBondContact O-N 2.79Å
332S43Very low41.5Very low54 Ų54108.9 Ų108.938%0.37853%0.527SS..Hα-helixtrans-72.1-36.6167.454.60000112R328 N329 I336R328-S332 PolarHBondContact O-N 3.36Å; R328-S332 PolarHBondContact O-OG 3Å; N329-S332 PolarHBondContact O-OG 3.32Å; S332-I336 WeakPolarHBondContact O-CD1 3.42Å; S332-I336 WeakPolarHBondContact O-CG1 3.25Å
333D41Very low40.6Very low107 Ų107113 Ų11357%0.57254%0.544SS*.Hα-helixtrans-101.5-38.1-164.1-59.91000113.5N329 K330 V337N329-D333 WeakPolarHBondContact O-CB 3.43Å; N329-D333 VanDerWaalsContact O-CG 3.22Å; N329-D333 PolarHBondContact O-N 2.89Å; K330-D333 PolarHBondContact O-N 3.32Å; D333-V337 WeakPolarHBondContact O-CG2 3.42Å
334E42Very low39.7Very low100 Ų100109.3 Ų109.347%0.46754%0.544SS..Hα-helixtrans-97.5-16.7-172.4-73.8176.2-178.400115K330 N338K330-E334 IonicContact NZ-OE1 2.6Å; K330-E334 PolarHBondContact NZ-OE1 2.86Å; K330-E334 IonicContact NZ-OE2 2.81Å; K330-E334 PolarHBondContact NZ-OE2 3.17Å; K330-E334 WeakPolarHBondContact O-CB 3.11Å; K330-E334 PolarHBondContact O-N 3.32Å; E334-N338 WeakPolarHBondContact O-CB 3.49Å; E334-N338 PolarHBondContact O-ND2 2.89Å
335R40.6Very low38.8Very low183 Ų183114.5 Ų114.569%0.69157%0.57SS**Hα-helixtrans-101.8-19.8177.5-75-170.6176.8-179.6-1.1114.7H339R335-H339 PolarHBondContact O-N 3.34Å
336I41.6Very low38Very low112 Ų112119.2 Ų119.257%0.57459%0.592SS**Hα-helixtrans-77.3-29.5174.2-60.5-173.7000110.9S332 L340S332-I336 WeakPolarHBondContact O-CD1 3.42Å; S332-I336 WeakPolarHBondContact O-CG1 3.25Å; I336-L340 WeakPolarHBondContact O-CD1 3.27Å
337V38.6Very low37.4Very low83 Ų83121.5 Ų121.550%0.50361%0.61SS.*Hα-helixtrans-79.2-51.4173.7-178.60000111D333 H339 L340D333-V337 WeakPolarHBondContact O-CG2 3.42Å; V337-H339 VanDerWaalsContact C-N 3.35Å; V337-H339 PolarHBondContact O-N 3.05Å; V337-L340 PolarHBondContact O-N 3.47Å
338N36.7Very low36.7Very low109 Ų109122.5 Ų122.558%0.58362%0.624SS**Hα-helixtrans-81.4-0.1-169.3-65.7-57.9000116.3E334E334-N338 WeakPolarHBondContact O-CB 3.49Å; E334-N338 PolarHBondContact O-ND2 2.89Å
339H36.1Very low35.8Very low159 Ų159124.2 Ų124.274%0.73664%0.641SS**THydrogen-bonded Turntrans-106.72.9169.6-148.2-55.5000113.2R335 V337R335-H339 PolarHBondContact O-N 3.34Å; V337-H339 VanDerWaalsContact C-N 3.35Å; V337-H339 PolarHBondContact O-N 3.05Å
340L35.7Very low35.4Very low134 Ų134126.5 Ų126.570%0.70266%0.659SS**THydrogen-bonded Turntrans-101.3-20.6171.2-70.4175.9000113I336 V337I336-L340 WeakPolarHBondContact O-CD1 3.27Å; V337-L340 PolarHBondContact O-N 3.47Å
341D34.6Very low34.7Very low95 Ų95129.2 Ų129.251%0.50868%0.677SS.*SBendtrans-87.7-4177.7-76.1-31.4000115Q343D341-Q343 PolarHBondContact O-N 2.97Å; D341-Q343 VanDerWaalsContact O-N 3.12Å
342Y30.9Very low34.3Very low212 Ų212129.5 Ų129.583%0.83168%0.684SS**THydrogen-bonded Turntrans-86.438177.8-134.8-85.8000114.2
343Q33.2Very low33.8Very low193 Ų193133.9 Ų133.990%0.90271%0.708SS**THydrogen-bonded Turntrans-150.11.1161-122.4178.53300115.2D341D341-Q343 PolarHBondContact O-N 2.97Å; D341-Q343 VanDerWaalsContact O-N 3.12Å
344S29.3Very low33.5Very low91 Ų91135.5 Ų135.564%0.63672%0.717SS**SBendtrans-122.860.9-178.9-69.70000111.8
345N29.6Very low33.1Very low133 Ų133139.3 Ų139.371%0.71174%0.735SS**  trans-155.4146.9162.5-93.3-49.7000111.7
346N29.2Very low32.4Very low142 Ų142136.1 Ų136.176%0.75974%0.741SS**  trans7865.8166-51.7-21.2000119
347V29.7Very low32Very low151 Ų151138 Ų13892%0.91576%0.757SS**  trans-122.681133.3-174.40000108.9
348S30Very low31.4Very low107 Ų107139.3 Ų139.375%0.74877%0.77SS**  trans-115.6107.2164.3-68.90000109.5
349L24.7Very low31.1Very low159 Ų159142.5 Ų142.583%0.83279%0.786SS**  trans27.9102.4144.9-69.8153.7000117.8
350T32.7Very low30.8Very low148 Ų148139 Ų13991%0.90878%0.779SS**  -167.1155.112314.60000111.9
351I29.7Very low30.6Very low152 Ų152139.5 Ų139.578%0.77978%0.782SS**  trans-128.8162.5-166.8-46.9161.7000106.9
352P31Very low30.4Very low95 Ų95144 Ų14462%0.61780%0.798SS**  cis-120.9173.3-47.837.8-24.1000112.3
353T34Very low30.3Very low146 Ų146141.8 Ų141.890%0.89680%0.8SS**  trans-134.9140.9150.241.70000111.1
354N32.9Very low30.2Very low141 Ų141140.9 Ų140.975%0.75480%0.796SS**  trans-91.3171-162.9-67.9-52.5000114.4
355Q34.9Very low30.3Very low181 Ų181142.2 Ų142.285%0.84681%0.805SS**  trans83.693.1164.8-50.2-177.717.800114.1
356S26.6Very low30.2Very low116 Ų116145.4 Ų145.481%0.81182%0.818SS**  75.993.963.1-59.30000114.7
357T32Very low30.3Very low151 Ų151141.4 Ų141.493%0.92681%0.81SS**  trans-153127.7133.217.30000110.7
358S26.4Very low30.3Very low110 Ų110142.3 Ų142.377%0.76981%0.81SS**  trans-79.3145175.850.90000112.4
359I31.1Very low30.3Very low177 Ų177143.4 Ų143.491%0.90882%0.817SS**  trans-141.8128.7135.5-91.3141.4000107.1
360S29Very low30.9Very low86 Ų86140 Ų14060%0.60181%0.806SS**  trans-92.6171.7-179.658.30000112.1
361N30.6Very low31.3Very low144 Ų144137.5 Ų137.577%0.7780%0.795SS**  trans88.890.2164.2-46.2-19.6000117
362F30.5Very low31.7Very low189 Ų189135.8 Ų135.883%0.82979%0.787SS**  -158.977.8120.9-133.4-93.9000112.6
363N29.1Very low31.7Very low166 Ų166135.5 Ų135.589%0.88879%0.786SS**  trans-96.788.9166.8-95-18.5000109.3
364Q32Very low32Very low173 Ų173132.9 Ų132.981%0.80877%0.77SS**  trans-167.283.7165.4-114.5166.454.600111.5
365S29.9Very low32.5Very low119 Ų119133 Ų13383%0.83277%0.766SS**  trans177.272.4143.4-167.40000109.3
366M29.2Very low32.8Very low201 Ų201129.7 Ų129.799%0.9975%0.754SS**  trans-106.195.1168.3-88.2-73.6-74.800107.7
367G30.2Very low33.4Very low57 Ų57129.2 Ų129.259%0.58874%0.741SS**  trans-162.2141.8177.600000110.7
368N29.9Very low34Very low170 Ų170129.5 Ų129.591%0.90973%0.73SS**  trans75.749.7169.3-48.2-16.2000117.4
369C29.8Very low34.9Very low131 Ų131127.3 Ų127.389%0.88571%0.714SS**  trans-92.1105.5149.9-81.40000109.7
370S38.5Very low35.4Very low86 Ų86124.7 Ų124.760%0.60170%0.698SS**  trans-64154.1-175.6177.60000113.6N372S370-N372 PolarHBondContact O-N 3.36Å
371S39.5Very low36.1Very low97 Ų97124.9 Ų124.968%0.67869%0.693SS**THydrogen-bonded Turntrans-65.311.3-173.550.80000116.8T374S371-T374 PolarHBondContact O-OG1 3.48Å
372N37.9Very low36.6Very low116 Ų116126.8 Ų126.862%0.6269%0.69SS**THydrogen-bonded Turntrans-82.4-18.8176.8-89.63.3000114.1S370 T374S370-N372 PolarHBondContact O-N 3.36Å; N372-T374 VanDerWaalsContact C-N 3.26Å; N372-T374 PolarHBondContact O-N 3.08Å
373C32.2Very low37.1Very low88 Ų88123.8 Ų123.860%0.59568%0.682SS**Hα-helixtrans-71.8-16.6-177.1-67.60000114.1
374T40.3Very low37.7Very low92 Ų92121.2 Ų121.256%0.56467%0.668SS**Hα-helixtrans-93.2-19.5-176490000114.5S371 N372S371-T374 PolarHBondContact O-OG1 3.48Å; N372-T374 VanDerWaalsContact C-N 3.26Å; N372-T374 PolarHBondContact O-N 3.08Å
375E43.4Very low38.1Very low143 Ų143117.7 Ų117.767%0.66866%0.655SS**Hα-helixtrans-84.3-30.2172-71.5-158.314000113.1L377 K378 S379E375-L377 VanDerWaalsContact C-N 3.31Å; E375-L377 PolarHBondContact O-N 3.44Å; E375-K378 PolarHBondContact O-N 2.83Å; E375-S379 PolarHBondContact O-N 3.08Å; E375-S379 PolarHBondContact O-OG 2.93Å
376L40.6Very low38.6Very low111 Ų111117.1 Ų117.158%0.58164%0.642SS**Hα-helixtrans-61.7-39173.1-82.2163.8000112S379 Q380L376-S379 WeakPolarHBondContact CA-OG 3.47Å; L376-S379 PolarHBondContact O-OG 2.89Å; L376-S379 VanDerWaalsContact O-OG 3.11Å; L376-Q380 WeakPolarHBondContact O-CB 3.27Å; L376-Q380 WeakPolarHBondContact O-CG 3.44Å; L376-Q380 PolarHBondContact O-N 3.45Å
377L39.2Very low39.2Very low106 Ų106114.9 Ų114.956%0.55563%0.627SS**Hα-helixtrans-68.2-32.3175.3-86.2158.9000113.5E375 N381E375-L377 VanDerWaalsContact C-N 3.31Å; E375-L377 PolarHBondContact O-N 3.44Å; L377-N381 PolarHBondContact O-N 3.47Å; L377-N381 PolarHBondContact O-ND2 2.89Å
378K44.6Very low39.5Very low157 Ų157118 Ų11868%0.68363%0.63SS**Hα-helixtrans-77-37.7176.5-72.2-178.2179.1179.10112.4E375 N381 Y382E375-K378 PolarHBondContact O-N 2.83Å; K378-N381 PolarHBondContact O-N 2.87Å; K378-Y382 PolarHBondContact O-N 2.96Å
379S44.5Very low39.9Very low64 Ų64119.5 Ų119.545%0.44862%0.624SS.*Hα-helixtrans-71.4-35176.350.10000112.6E375 L376 Y382 L383E375-S379 PolarHBondContact O-N 3.08Å; E375-S379 PolarHBondContact O-OG 2.93Å; L376-S379 WeakPolarHBondContact CA-OG 3.47Å; L376-S379 PolarHBondContact O-OG 2.89Å; L376-S379 VanDerWaalsContact O-OG 3.11Å; S379-Y382 PolarHBondContact O-N 3.49Å; S379-L383 PolarHBondContact O-N 2.61Å
380Q43.3Very low40.3Very low122 Ų122121.2 Ų121.257%0.5762%0.619SS**Hα-helixtrans-61.3-43.6170.3-80.1178.8-34.500112.7L376 Y382 L383 L384L376-Q380 WeakPolarHBondContact O-CB 3.27Å; L376-Q380 WeakPolarHBondContact O-CG 3.44Å; L376-Q380 PolarHBondContact O-N 3.45Å; Q380-Y382 VanDerWaalsContact C-N 3.33Å; Q380-Y382 PolarHBondContact O-N 3.31Å; Q380-L383 PolarHBondContact O-N 3.41Å; Q380-L383 VanDerWaalsContact O-N 3.15Å; Q380-L384 PolarHBondContact O-N 3.45Å
381N43.9Very low40Very low90 Ų90126.3 Ų126.348%0.48163%0.631SS.*Hα-helixtrans-62.9-36.1177.4-86.2-73.2000113.1L377 K378 L383 L384 N385L377-N381 PolarHBondContact O-N 3.47Å; L377-N381 PolarHBondContact O-ND2 2.89Å; K378-N381 PolarHBondContact O-N 2.87Å; N381-L383 VanDerWaalsContact C-N 3.33Å; N381-L383 PolarHBondContact O-N 3.4Å; N381-L384 PolarHBondContact O-N 2.88Å; N381-N385 PolarHBondContact O-N 3Å; N381-N385 VanDerWaalsContact O-N 3.11Å
382Y39.3Very low39.8Very low185 Ų185130 Ų13073%0.72564%0.637SS**Hα-helixtrans-69.7-27.5174.9-112.8-88.4000113.5K378 S379 Q380 N386K378-Y382 PolarHBondContact O-N 2.96Å; S379-Y382 PolarHBondContact O-N 3.49Å; Q380-Y382 VanDerWaalsContact C-N 3.33Å; Q380-Y382 PolarHBondContact O-N 3.31Å; Y382-N386 PolarHBondContact O-ND2 2.82Å
383L42.7Very low39.5Very low126 Ų126131.6 Ų131.666%0.6665%0.646SS**Hα-helixtrans-78.4-35.9173.2-119.283.5000112.4S379 Q380 N381 K387S379-L383 PolarHBondContact O-N 2.61Å; Q380-L383 PolarHBondContact O-N 3.41Å; Q380-L383 VanDerWaalsContact O-N 3.15Å; N381-L383 VanDerWaalsContact C-N 3.33Å; N381-L383 PolarHBondContact O-N 3.4Å; L383-K387 PolarHBondContact O-N 3.45Å
384L41.9Very low39.4Very low111 Ų111133.3 Ų133.358%0.58165%0.653SS**Hα-helixtrans-66.8-47.7178.9-130.674.6000111.6Q380 N381 N386 K387 L388Q380-L384 PolarHBondContact O-N 3.45Å; N381-L384 PolarHBondContact O-N 2.88Å; L384-N386 VanDerWaalsContact C-N 3.33Å; L384-N386 PolarHBondContact O-N 3.18Å; L384-K387 PolarHBondContact O-N 3.15Å; L384-L388 PolarHBondContact O-N 2.9Å
385N38.7Very low39.1Very low100 Ų100139.9 Ų139.954%0.53567%0.669SS.*Hα-helixtrans-67.3-30.5-177.9-74.4-13.3000113.5N381N381-N385 PolarHBondContact O-N 3Å; N381-N385 VanDerWaalsContact O-N 3.11Å
386N41.6Very low38.4Very low106 Ų106141.5 Ų141.557%0.56768%0.677SS**Hα-helixtrans-77.4-29.3174-76.5-24.9000112.8Y382 L384 L388 Y389Y382-N386 PolarHBondContact O-ND2 2.82Å; L384-N386 VanDerWaalsContact C-N 3.33Å; L384-N386 PolarHBondContact O-N 3.18Å; N386-L388 VanDerWaalsContact C-N 3.35Å; N386-Y389 PolarHBondContact O-N 3.31Å
387K40.6Very low38Very low154 Ų154146.8 Ų146.867%0.6769%0.691SS**Hα-helixtrans-72.1-25.9176-93.8-166.3168-166.20113.9L383 L384 Y389L383-K387 PolarHBondContact O-N 3.45Å; L384-K387 PolarHBondContact O-N 3.15Å; K387-Y389 VanDerWaalsContact C-N 3.33Å
388L38Very low37.5Very low123 Ų123149.9 Ų149.964%0.64470%0.702SS**SBendtrans-76.4-17.9176.6-73.6168.7000113.4L384 N386L384-L388 PolarHBondContact O-N 2.9Å; N386-L388 VanDerWaalsContact C-N 3.35Å
389Y37.5Very low36.7Very low201 Ų201149.6 Ų149.679%0.78870%0.703SS**SBendtrans-92.9-6.8-177.6-114.4-90.4000115.2N386 K387N386-Y389 PolarHBondContact O-N 3.31Å; K387-Y389 VanDerWaalsContact C-N 3.33Å
390E39Very low36.1Very low167 Ų167157 Ų15778%0.7872%0.723SS**SBendtrans-105-1.7179.8-80-171.6147.300114.4
391F32Very low35.5Very low194 Ų194159.6 Ų159.685%0.85174%0.735SS**SBendtrans-105.62.6-173.3-104.1-86.6000116.4
392E35.1Very low34.9Very low173 Ų173162.3 Ų162.381%0.80875%0.747SS**SBendtrans-110.99.8-172-128.1173-163.300115
393N30.6Very low34.6Very low150 Ų150159.6 Ų159.680%0.80275%0.745SS**SBendtrans-132.736.6-172.5-83.2-59.8000115.1
394V31.1Very low34Very low125 Ų125162.5 Ų162.576%0.75876%0.755SS**  trans-136.574.3175.3-167.70000111.9
395Y32.6Very low33.6Very low230 Ų230162.7 Ų162.790%0.90276%0.764SS**  trans-144.1145.7161-92.5-80.7000110.7
396E30.5Very low33.1Very low177 Ų177164.8 Ų164.883%0.82778%0.775SS**  trans55.1106.1170.7-71.6-179.4144.600118.7
397Y30.3Very low32.5Very low222 Ų222167.1 Ų167.187%0.87179%0.787SS**  -170.1115106.4-120-97.3000110.5
398E30.2Very low32Very low171 Ų171165.4 Ų165.480%0.79979%0.79SS**  trans-102.7149.2163.1-78.3-164.8149.900109.8
399Q28.1Very low31.5Very low150 Ų150169 Ų16970%0.70180%0.801SS**  trans58.3114.2165.1-63.7177.3-12.200117.7
400Y31.9Very low31.4Very low219 Ų219165.2 Ų165.286%0.85980%0.801SS**  -173.1129.7102.1-101.9-75.8000109.6
401E29.9Very low31.1Very low177 Ų177168 Ų16883%0.82781%0.806SS**  trans-70.4140.7165-65177.1118.600109.6
402M31.7Very low31Very low147 Ų147168.3 Ų168.372%0.72481%0.807SS**  trans171.9122.5131.1-88.6-86.291.300111.5
403N31.7Very low31.1Very low129 Ų129165.6 Ų165.669%0.6980%0.804SS**  trans49.6125.7142.2-55.8-14.2000122.6
404E31.5Very low31Very low187 Ų187164.2 Ų164.287%0.87480%0.801SS**  trans21.7151.6140.3-66.4-170.2128.200123.6
405C32Very low31Very low115 Ų115164 Ų16478%0.77780%0.796SS**  trans89.897.6164.7-63.50000118.3
406D28.4Very low31.2Very low143 Ų143164.4 Ų164.477%0.76580%0.798SS**  52.4147.1127.2-79.7-27000122.4
407L28.8Very low31.4Very low156 Ų156162.1 Ų162.182%0.81779%0.791SS**  trans92.5101.4158.6-62.4141.8000119.9
408T31.9Very low31.8Very low118 Ų118159 Ų15972%0.72479%0.79SS**  80.5122.2120.8-49.40000120.1
409F27.7Very low32.3Very low199 Ų199158.2 Ų158.287%0.87379%0.786SS**PPolyproline II helixtrans-57.6133.6167.4-83.2-97.5000113.2
410P35Very low32.6Very low121 Ų121156.9 Ų156.979%0.78678%0.784SS**PPolyproline II helixtrans-90.6129161.233-28.3000111.7
411Y31.9Very low32.9Very low225 Ų225154.1 Ų154.188%0.88278%0.782SS**PPolyproline II helixtrans-89.3146.5160.2-133.5-90.2000108.1
412F31.2Very low33.1Very low200 Ų200148.6 Ų148.688%0.87777%0.772SS**  trans175.5165.1155.4-93.8-53.8000110.2
413P35.6Very low32.9Very low117 Ų117149.5 Ų149.576%0.7678%0.78SS**  cis-128.9-179.1-18.230.1-8.9000114.4
414T29.9Very low33Very low120 Ų120149.4 Ų149.474%0.73679%0.79SS**  trans-100.4170.3-174.253.80000114
415N30.8Very low33Very low121 Ų121147.9 Ų147.965%0.64778%0.783SS**  trans117.2115.4147-64.41.7000116.4
416Y36Very low33.1Very low238 Ų238147.6 Ų147.693%0.93378%0.779SS**  trans-141.8124.1130.6-107.7-82.9000107.1
417D34.4Very low33.1Very low129 Ų129146.6 Ų146.669%0.6977%0.774SS**  trans-83.7151.1178.3-58.5-76.5000110.8
418D40.3Very low33.3Very low157 Ų157147.9 Ų147.984%0.8478%0.776SS**  trans-167.2103.9136.6-102.2-24.5000112
419E39.5Very low33.1Very low154 Ų154147.4 Ų147.472%0.7278%0.778SS**  46103.6128.9-69.9-79.9135.800121.2
420N35.4Very low33.4Very low123 Ų123145.3 Ų145.366%0.65877%0.774SS**  87.6132118.2-108.2-34.9000123.6
421I37.2Very low33.1Very low160 Ų160145.7 Ų145.782%0.82177%0.769SS**  trans66.3132156-49.2158.9000116.6
422G33.7Very low33Very low61 Ų61143.4 Ų143.463%0.62977%0.766SS**  cis158.9126.4-3.400000111.9
423N28.3Very low32.9Very low166 Ų166142.2 Ų142.289%0.88876%0.763SS**  trans47.7105.6163.9-63.1-18.4000120.2
424S34.6Very low32.9Very low128 Ų128142.5 Ų142.590%0.89576%0.759SS**  -166.9145.2116.528.60000113.9
425Q30.7Very low32.9Very low154 Ų154149 Ų14972%0.7277%0.77SS**  trans-62.4163172.2-85.4-86.4-4000111.8
426P33.4Very low33Very low109 Ų109150.1 Ų150.171%0.70877%0.774SS**  cis-150174.945.341.8-20.7000119.9
427N29.3Very low32.7Very low123 Ų123146.4 Ų146.466%0.65877%0.769SS**  trans1.9141.6134.8-42.1-42.7000116.2
428E32.8Very low32.7Very low183 Ų183150 Ų15086%0.85578%0.779SS**  -159.9151.857.9-82.4-177.2148.800113.2
429S28.3Very low32.4Very low108 Ų108149.5 Ų149.576%0.75578%0.781SS**  trans-75.8134.8166.753.30000112
430I32.4Very low31.8Very low155 Ų155151.8 Ų151.880%0.79579%0.789SS**  trans-162.8144.6146.8-101.8143.3000111.5
431N28.7Very low31.6Very low128 Ų128153.6 Ų153.668%0.68480%0.797SS**  trans-51.8136.5-177.7-60.4-40.4000114.9
432H30.3Very low31.3Very low178 Ų178153.9 Ų153.982%0.82480%0.795SS**  trans-113.660.7158-99.6-89000112N434H432-N434 PolarHBondContact O-N 3.27Å; H432-N434 VanDerWaalsContact O-N 3.08Å
433E30.2Very low31Very low175 Ų175159.1 Ų159.182%0.81881%0.808SS**  trans-80.339.9170.8-160.3174.9-155.100111.5
434N35.6Very low31.1Very low123 Ų123160 Ų16066%0.65881%0.806SS**  trans-132.929.6-158.8-94.6-35.5000115.5H432H432-N434 PolarHBondContact O-N 3.27Å; H432-N434 VanDerWaalsContact O-N 3.08Å
435W29.8Very low31Very low256 Ų256158.8 Ų158.897%0.9780%0.798SS**SBendtrans-110.328.9167.3-153.661.2000113.8
436I31.4Very low30.7Very low144 Ų144158.7 Ų158.774%0.73880%0.802SS**SBendtrans-126.5144.8161.7-57179000105.2
437I31.4Very low30.7Very low161 Ų161163 Ų16383%0.82681%0.813SS**  trans88.659.8-174.7-42.6160.1000115.3
438K33.6Very low30.6Very low205 Ų205165.4 Ų165.489%0.89182%0.82SS**SBendtrans-169.286.2148-117.6178.8177.51790106
439T33.2Very low30.6Very low145 Ų145164.9 Ų164.989%0.8982%0.821SS**  -150.911962.937.10000112.6
440K28.6Very low30.4Very low203 Ų203165.2 Ų165.288%0.88382%0.815SS**  trans-109.5117.4160.8-123.9-172.7-177.7-177.80106.1
441L30Very low30.1Very low161 Ų161166.6 Ų166.684%0.84382%0.815SS**  trans172.4131.7166.8-92.3179.7000105.6
442Q31.3Very low30.2Very low165 Ų165167 Ų16777%0.77182%0.816SS**  cis-157.2133.3-21.9-163.983.8-22.800105.2
443L27.1Very low30.2Very low171 Ų171166.4 Ų166.490%0.89582%0.819SS**  trans-83.9123.4175.2-89162.3000110.5
444H29.9Very low30.2Very low185 Ų185163 Ų16386%0.85681%0.812SS**  trans-173.8142.6157.3-107.1-88.5000106.1
445S32.3Very low29.8Very low102 Ų102164.1 Ų164.171%0.71382%0.817SS**  cis-1491584.744.20000110.7
446N25.8Very low29.7Very low152 Ų152160 Ų16081%0.81381%0.809SS**  trans-70.7152.9175.5-44.5-37.1000111.3
447E33.6Very low29.8Very low201 Ų201159.3 Ų159.394%0.93981%0.812SS**  trans-157.1131.2133.4-117.6164.6-149.700110.8
448E27.1Very low29.5Very low173 Ų173159.3 Ų159.381%0.80881%0.813SS**  trans-92.7130.1-179.1-56.8169.4121.800109.6
449I31.5Very low29.4Very low171 Ų171156.9 Ų156.988%0.87781%0.81SS**  trans-134.7110.1153.7-58.6-176.1000108.8
450N25.6Very low29.1Very low116 Ų116155 Ų15562%0.6280%0.803SS**  trans-82.2176.8171.8-81.5-62.7000111.5
451F25.5Very low29.3Very low183 Ų183153.1 Ų153.180%0.80380%0.801SS**  trans90.5103.8147.2-70.8-60.4000120.2
452I30.1Very low29.1Very low138 Ų138152.6 Ų152.671%0.70880%0.799SS**  142.7118.6113.1-78.6144.5000112.9P454I452-P454 HydrophobicContact CG2-CG 4.03Å
453N31.5Very low29.1Very low165 Ų165152.2 Ų152.288%0.88280%0.801SS**  trans-94.6137.1155.7-78.8-9.3000108.9
454P29.8Very low29.1Very low104 Ų104148.9 Ų148.968%0.67579%0.791SS**  trans-133.2121.714117.14.7000109.7I452I452-P454 HydrophobicContact CG2-CG 4.03Å
455L27.4Very low29.2Very low146 Ų146146.2 Ų146.276%0.76479%0.788SS**  66110.777-162.175.8000113.6
456E27.1Very low29.1Very low169 Ų169147.9 Ų147.979%0.7979%0.789SS**  trans22115.9148.8-56.4170.9163.700119.3
457T33.4Very low29.6Very low130 Ų130146.1 Ų146.180%0.79879%0.789SS**  trans-141.3108138.753.20000110.3
458D26.1Very low29.8Very low160 Ų160145.3 Ų145.386%0.85679%0.785SS**  trans-58138.2153.5-81.5-46.7000109.3
459N31.6Very low30.2Very low154 Ų154145.9 Ų145.982%0.82479%0.787SS**  trans-157.7110.4149.4-98.8-44.4000110.8
460S26.9Very low30.2Very low106 Ų106142.8 Ų142.874%0.74178%0.778SS**  trans-60.3141.6170.154.10000112.7
461I32.4Very low30.5Very low164 Ų164145.3 Ų145.384%0.84179%0.79SS**  trans-141.4119.4144.9-89137.1000107.8
462N25.5Very low30.5Very low150 Ų150144.3 Ų144.380%0.80279%0.792SS**  trans-86.6150.5163.4-77.1-37.4000109.5
463I30.6Very low30.5Very low157 Ų157145.5 Ų145.581%0.80580%0.8SS**  trans176.8102.3149.4-88.4143.7000103.3
464S26.8Very low30.3Very low100 Ų100144.8 Ų144.870%0.69980%0.796SS**  61.4112.771.5-164.70000113.6
465V33.6Very low30.3Very low130 Ų130147.5 Ų147.579%0.78880%0.804SS**  177.1139.8119.1153.30000109.5
466D29.6Very low30.3Very low136 Ų136150 Ų15073%0.72781%0.809SS**  trans-54.7152.1-177.5-42.9-77.7000115.8
467S35.5Very low30.4Very low116 Ų116149.3 Ų149.381%0.81181%0.811SS**  177.3122.411033.70000114.9
468E37.5Very low30.2Very low184 Ų184150.2 Ų150.286%0.8681%0.81SS**  trans47.7115.9138.2-59.2-168168.700124.4
469E36.8Very low30.5Very low185 Ų185152.1 Ų152.186%0.86481%0.811SS**  trans84.4149.5131.3-69.4-129.4141.700122.7
470P30.8Very low30.3Very low106 Ų106149.7 Ų149.769%0.68881%0.806SS**  trans-120146.6-149.739-24.7000114.8
471I32.1Very low30.4Very low169 Ų169151.1 Ų151.187%0.86782%0.815SS**  trans-132.7130.2161.7-56.5-178.7000109.6N473I471-N473 PolarHBondContact O-N 3.33Å
472L26.4Very low30.1Very low161 Ų161148 Ų14884%0.84381%0.807SS**  trans-55128.1173.6-61.9161.8000110.7
473N29.2Very low30.4Very low164 Ų164151.9 Ų151.988%0.87781%0.812SS**  trans-154.8145136.9-103-29.6000112.4I471I471-N473 PolarHBondContact O-N 3.33Å
474L26.7Very low30.3Very low150 Ų150153.1 Ų153.179%0.78581%0.808SS**  trans-75120.8177-179.678.5000108.8
475D30.3Very low30.5Very low160 Ų160158.8 Ų158.886%0.85682%0.816SS**  trans-148.3126.8156.2-101.3-36.1000111.1
476F27.2Very low30.2Very low198 Ų198159 Ų15987%0.86881%0.808SS**  trans-76.1131163.6-93.5-109.3000107.7
477D30.5Very low30.4Very low155 Ų155161 Ų16183%0.82981%0.812SS**  trans-145147.3158.6-145.3-7.7000114.4
478L28.4Very low30.2Very low149 Ų149162.3 Ų162.378%0.7881%0.805SS**  trans-87.7130.4-168.7-66.8114000112.4
479K31.9Very low30Very low200 Ų200161.8 Ų161.887%0.8781%0.808SS**  trans-128.8101.7149.9-77.2178.9177.71700108.7
480S28.1Very low29.9Very low104 Ų104160.2 Ų160.273%0.72781%0.805SS**  63.579.654.889.30000113
481C27.7Very low30Very low136 Ų136158.5 Ų158.592%0.91981%0.806SS**  trans-128.2106.9153.8-92.60000107.5
482S28Very low30.2Very low97 Ų97158.7 Ų158.768%0.67880%0.804SS**  trans-82.5144.4176.953.50000110.8
483Y30.6Very low30.7Very low232 Ų232160.5 Ų160.591%0.9180%0.8SS**  trans-128.4104.7152.4-111.1-90000108.3
484Y28Very low31Very low184 Ų184162.3 Ų162.372%0.72280%0.797SS**  trans-75.6132.6173.6-108.8-97.9000109.3H486Y484-H486 AromaticContact CD1-CD2 3.65Å; Y484-H486 AromaticContact CE1-CD2 3.86Å; Y484-H486 AromaticContact CE1-NE2 3.83Å
485Y30.8Very low31.3Very low219 Ų219161.5 Ų161.586%0.85979%0.793SS**  trans-12699155.2-122.6-84.2000108.8
486H28Very low31.8Very low134 Ų134158.2 Ų158.262%0.6278%0.782SS**  trans-67.9128.2169.9-105.8-86.8000109.1Y484Y484-H486 AromaticContact CD1-CD2 3.65Å; Y484-H486 AromaticContact CE1-CD2 3.86Å; Y484-H486 AromaticContact CE1-NE2 3.83Å
487H33.1Very low32.1Very low177 Ų177163.7 Ų163.782%0.81980%0.8SS**  trans-143.7120.1148.3-124.2-78.9000111.7
488H31.2Very low32.2Very low145 Ų145164.2 Ų164.267%0.67180%0.798SS**  trans-60.8134.3179.5-86.2-105.4000112.6
489L34.9Very low32.4Very low173 Ų173164.9 Ų164.991%0.90680%0.799SS**  trans-13786.9147.9-85.1175000109.8G491L489-G491 PolarHBondContact O-N 3.24Å
490N33Very low32.4Very low151 Ų151163 Ų16381%0.80780%0.795SS**  trans-70.8115.3158.5-88.3-7.2000107.8
491G33.8Very low32.7Very low70 Ų70166.5 Ų166.572%0.72280%0.799SS**  trans-151.157.5-177.400000111.4L489 Y493L489-G491 PolarHBondContact O-N 3.24Å; G491-Y493 PolarHBondContact O-N 3.4Å
492H36.9Very low33Very low174 Ų174168.4 Ų168.481%0.80679%0.792SS**  trans-70.2107.1169.5-90.4-78.7000109.6
493Y36.7Very low33.3Very low198 Ų198173.1 Ų173.178%0.77680%0.799SS**  trans-89.1128.7156.5-127.3-102.2000107.4G491 D495G491-Y493 PolarHBondContact O-N 3.4Å; Y493-D495 WeakPolarHBondContact CE1-OD2 3.32Å
494Y36.2Very low33.5Very low203 Ų203168.9 Ų168.980%0.79679%0.791SS**  trans-124.598.4164.8-114.2-78.8000106
495D32.7Very low33.9Very low132 Ų132167.8 Ų167.871%0.70680%0.797SS**  trans-86.5125.7160.9-84.8-42.5000107.9Y493Y493-D495 WeakPolarHBondContact CE1-OD2 3.32Å
496S39.6Very low34.2Very low91 Ų91163.5 Ų163.564%0.63679%0.791SS**  trans-165.9106.2164.1-76.60000108.9
497Y33.8Very low34.7Very low314 Ų314166.2 Ų166.2100%1.23181%0.807SS**  trans77.50-177-63-83.5000117.2

Retrieved 497 of 497 residues in 145.9 ms (Link to these results)