A0A096N3W4_PAPAN Loading...

GATA binding protein 2

AlphaFold DB , UniProt , Accession A0A096N3W4, Species PAPAN (Papio anubis, Olive baboon), Gene GATA2, Length 480 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.9Very low40.6Very low244 Ų244167.8 Ų167.8100%1.20284%0.841SS**  0122.50-73.461.8173.400107
2E37.2Very low40.3Very low186 Ų186161.9 Ų161.987%0.86984%0.838SS**  trans-122.2129.7178.8-176.2-165.5143.200107.8
3V39.1Very low40.3Very low142 Ų142163.6 Ų163.686%0.86184%0.839SS**  trans-147.9123.6169-1790000108.9
4A43.8Very low40.7Very low86 Ų86160.5 Ų160.571%0.71184%0.835SS**  trans-121.9154.2160.200000109.2
5P51.9Low40.5Very low119 Ų119156 Ų15677%0.77383%0.83SS**  trans-129.5125.7147.133.3-21.2000111.1
6E38.9Very low40.2Very low177 Ų177154.6 Ų154.683%0.82783%0.829SS**  81142.165-105.2-70.971.500115.8
7Q36Very low40Very low161 Ų161155.1 Ų155.175%0.75283%0.83SS**  trans-99151.7-173.5-62.6-172.216.100113.8R9Q7-R9 PolarHBondContact O-N 3.45Å; Q7-R9 VanDerWaalsContact O-N 3.15Å
8P47.7Very low39.6Very low117 Ų117153.5 Ų153.576%0.7682%0.822SS**  trans-79.994.5171.632.2-33.6000112.2
9R38.3Very low39.1Very low219 Ų219149.9 Ų149.983%0.82682%0.816SS**  trans-85.7117.9169.3-178.9175.3178.3158.1-2.4110.9Q7 M11Q7-R9 PolarHBondContact O-N 3.45Å; Q7-R9 VanDerWaalsContact O-N 3.15Å; R9-M11 PolarHBondContact O-N 2.75Å
10W34.1Very low38.9Very low240 Ų240151.2 Ų151.291%0.90982%0.816SS**  trans-73.4123.9176.1-63.689.1000111.5
11M37.1Very low38.6Very low155 Ų155151.2 Ų151.276%0.76481%0.811SS**  trans-107.4156.9167.3-78.5-174.4165.100110.7R9R9-M11 PolarHBondContact O-N 2.75Å
12A36.5Very low38.9Very low97 Ų97145 Ų14580%0.80279%0.788SS**  trans-123.5146.2177.100000110.4
13H40Very low38.6Very low184 Ų184140.7 Ų140.785%0.85277%0.771SS**  trans-112.4138.5-179.4-70.3-93.6000111.7
14P46.4Very low38.3Very low120 Ų120139.9 Ų139.978%0.77977%0.772SS**  trans-110.9-175.6170.440.7-32.7000113.3
15A36.9Very low38Very low93 Ų93142.8 Ų142.877%0.76977%0.771SS**  trans75.7142.4176.700000116.8
16V36.8Very low37.1Very low134 Ų134145.2 Ų145.281%0.81277%0.772SS**  cis127.4148.1-6.21680000112.2
17L37Very low37.5Very low162 Ų162142.4 Ų142.485%0.84877%0.768SS**  trans106.5155.8173.9-60.3173000115.8
18N32.4Very low37.2Very low127 Ų127138.1 Ų138.168%0.67977%0.768SS**  cis-172.8135.9-42.6179.356.5000110.5
19A30.7Very low36.6Very low86 Ų86141.3 Ų141.371%0.71178%0.777SS**  trans174.4158.1159.400000109.2
20Q33.5Very low36.3Very low175 Ų175134.7 Ų134.782%0.81877%0.77SS**  cis-174.6162.4-46.9-108.7170.6-80.100106.3
21H33.5Very low36.4Very low152 Ų152131.6 Ų131.670%0.70477%0.765SS**  trans-60.6176.1-169.9-121-133.9000115.7D23H21-D23 IonicContact CE1-OD1 3.8Å; H21-D23 PolarHBondContact CE1-OD1 3.39Å; H21-D23 IonicContact CE1-OD2 3.72Å; H21-D23 PolarHBondContact CE1-OD2 3.35Å; H21-D23 IonicContact CG-OD2 3.7Å; H21-D23 VanDerWaalsContact ND1-CG 3.28Å; H21-D23 IonicContact ND1-OD1 2.77Å; H21-D23 PolarHBondContact ND1-OD1 3.19Å; H21-D23 IonicContact ND1-OD2 3.74Å; H21-D23 PolarHBondContact ND1-OD2 2.91Å
22P49.6Very low36Very low113 Ų113130.3 Ų130.373%0.73476%0.761SS**  cis-144.314733.232.6-7.4000122.9
23D31.2Very low35.9Very low95 Ų95135 Ų13551%0.50876%0.759SS.*  55.7129.6129.2-60.2-70.4000125.9H21H21-D23 IonicContact CE1-OD1 3.8Å; H21-D23 PolarHBondContact CE1-OD1 3.39Å; H21-D23 IonicContact CE1-OD2 3.72Å; H21-D23 PolarHBondContact CE1-OD2 3.35Å; H21-D23 IonicContact CG-OD2 3.7Å; H21-D23 VanDerWaalsContact ND1-CG 3.28Å; H21-D23 IonicContact ND1-OD1 2.77Å; H21-D23 PolarHBondContact ND1-OD1 3.19Å; H21-D23 IonicContact ND1-OD2 3.74Å; H21-D23 PolarHBondContact ND1-OD2 2.91Å
24S31Very low35.5Very low126 Ų126134.3 Ų134.388%0.88176%0.759SS**  trans-171.4156.613319.70000111.7
25H39.2Very low35.2Very low147 Ų147135.1 Ų135.168%0.68175%0.752SS**  trans-130.4145.1-161.2-86.1-98.9000116.5
26H31.9Very low35.6Very low170 Ų170136.1 Ų136.179%0.78775%0.751SS**  trans61.2172146.2-79.3-57.9000120.9
27P46.8Very low35.4Very low117 Ų117133.4 Ų133.476%0.7674%0.742SS**  cis-127.1169.8-23.727.4-6.7000114.4
28G29.6Very low35.3Very low72 Ų72133.6 Ų133.674%0.74274%0.739SS**  trans-88.2-165-176.300000117.7
29L35Very low35.5Very low183 Ų183134.6 Ų134.696%0.95874%0.744SS**  trans-172.9172.3154.7-106.2170.8000110
30A32.5Very low35.8Very low81 Ų81137.7 Ų137.767%0.66975%0.747SS**  trans-146144.1176.400000111.4
31H35.8Very low36.5Very low175 Ų175134.6 Ų134.681%0.8174%0.742SS**  trans-179143.8139.5-110.5-132.8000114.3
32N30.5Very low37.1Very low127 Ų127133 Ų13368%0.67975%0.746SS**  trans23.9124.3143.8-71.1-77.8000123.6
33Y33.4Very low36.8Very low195 Ų195135.2 Ų135.277%0.76575%0.751SS**  57.7113116-160.3-85.2000120.9
34M32.3Very low37.4Very low171 Ų171139.6 Ų139.684%0.84277%0.768SS**  trans-157.9144.8136.3-152.262.573.200111.4
35E38.7Very low38.1Very low137 Ų137139.9 Ų139.964%0.6477%0.765SS**  trans-89.5166164.1-153.6-156.689.500109.3A37E35-A37 PolarHBondContact OE1-N 3.49Å
36P46.3Very low38.4Very low113 Ų113139.6 Ų139.673%0.73477%0.768SS**  -154.5153.693.937.9-19.8000116.8
37A33.1Very low39.2Very low77 Ų77137.4 Ų137.464%0.63677%0.766SS**  trans66.5153.3146.700000118.8E35E35-A37 PolarHBondContact OE1-N 3.49Å
38Q35.3Very low38.9Very low166 Ų166140.9 Ų140.978%0.77677%0.77SS**  cis164.8159.7-28.6-106.1-177.346.300105.4
39L35.4Very low39.4Very low149 Ų149146.4 Ų146.478%0.7877%0.774SS**  trans72.4139.9176.4-47.3-177000114.9
40L38Very low39.6Very low151 Ų151144.2 Ų144.279%0.79176%0.763SS**  cis-151.9173.2-8.3-102.5165.7000108.2
41P47.3Very low40.2Very low109 Ų109148.4 Ų148.471%0.70877%0.768SS**  trans-88.7165.5-162.536.3-38.5000116.3
42P46.8Very low40.4Very low120 Ų120147.8 Ų147.878%0.77977%0.77SS**  trans-100.6117.3-179.735.8-29000114
43D42.3Very low41Very low159 Ų159149.8 Ų149.885%0.8578%0.781SS**  trans-142.1-6.8172.5-144.4-122.8000114.9
44E44.4Very low41.5Very low186 Ų186145.1 Ų145.187%0.86978%0.777SS**  trans-108.623.7-165.3-61.3-164.1143.900116.7
45V46.4Very low41.9Very low132 Ų132146.6 Ų146.680%0.878%0.782SS**SBendtrans-102-8.3-174.1-71.50000116.7
46D45.6Very low41.8Very low142 Ų142143.7 Ų143.776%0.75979%0.789SS**SBendtrans-98.310-170.6-106-48.2000115.9
47V48.4Very low41.2Very low123 Ų123146 Ų14675%0.74580%0.795SS**SBendtrans-93.2-26-177.2-179.10000113.5
48F39.8Very low41.8Very low191 Ų191146.8 Ų146.884%0.83879%0.793SS**THydrogen-bonded Turntrans-89-7.8-165.8-111.7-87000117
49F40.9Very low41.8Very low188 Ų188149.6 Ų149.683%0.82580%0.798SS**THydrogen-bonded Turntrans-97-4.3-176-107.7-84000115.6
50N38Very low41.9Very low136 Ų136153.5 Ų153.573%0.72780%0.804SS**SBendtrans-100.428.6-173.7-78.9-69.8000114.7
51H44.8Very low41.9Very low169 Ų169150.9 Ų150.978%0.78281%0.805SS**SBendtrans-139.726.6-173.9-111.747.8000116
52L41.3Very low41.2Very low162 Ų162153.4 Ų153.485%0.84881%0.812SS**SBendtrans-124.91.9-175.7-95.7165.5000116.4
53D41.9Very low41.2Very low169 Ų169153.4 Ų153.490%0.90481%0.812SS**SBendtrans-121.544.6-174.4-158.47.2000112.4
54S45.4Very low41Very low98 Ų98150.3 Ų150.369%0.68581%0.809SS**  trans-147.423.7-170.859.90000116.8
55Q39Very low40.8Very low201 Ų201150.6 Ų150.694%0.93981%0.81SS**  trans-135115.6158-71.5-160.310.300111.8
56G36.9Very low40.2Very low76 Ų76149.3 Ų149.378%0.78481%0.813SS**  trans-122144.416900000110.5
57N33.8Very low39.9Very low162 Ų162153.9 Ų153.987%0.86682%0.819SS**  trans-156.4165.5170.7-125.86000110.1
58P45.4Very low39.2Very low93 Ų93152.5 Ų152.560%0.60482%0.821SS**  -137.9122.9-106.138.2-19.9000114.8
59Y36.3Very low38.9Very low225 Ų225155 Ų15588%0.88283%0.825SS**  trans-147.7145.8157.4-101.8-75.8000112.6
60Y38.1Very low38.8Very low231 Ų231152.5 Ų152.591%0.90682%0.824SS**  trans62.9102.2-178.1-77.7-83.3000117.9
61A36.6Very low38.6Very low96 Ų96151.4 Ų151.479%0.79383%0.827SS**  trans-122.4134.7157.100000109.7
62N32.8Very low38Very low163 Ų163154.3 Ų154.387%0.87283%0.833SS**  trans-162.7154.7157-117.1-5.3000109.4
63P47Very low37.8Very low119 Ų119151.6 Ų151.677%0.77383%0.828SS**  -133.4114-126.430.5-8.4000114.5
64A37Very low37.7Very low94 Ų94148.9 Ų148.978%0.77782%0.819SS**SBendtrans-144.9141.2165.900000111.6
65H40.3Very low37.2Very low193 Ų193149.1 Ų149.189%0.89483%0.827SS**  trans58.571.5175.4-84-71.6000118.2
66A35.6Very low37Very low104 Ų104148.4 Ų148.486%0.8682%0.824SS**  trans-114.363.3165.700000113.2
67R38Very low37Very low239 Ų239149.5 Ų149.590%0.90283%0.825SS**  trans-152.2131.3163.9-70.2-168.7176108.50.3108.9
68A33.5Very low37Very low94 Ų94153 Ų15378%0.77783%0.827SS**  cis-151.7156.6-12.700000109
69R35.2Very low36.8Very low243 Ų243157.1 Ų157.192%0.91784%0.842SS**  trans-120.3127.5163.8-76-163.8178.4-158.33.9109.4
70V37.2Very low36.8Very low135 Ų135152.7 Ų152.782%0.81884%0.839SS**  trans-95.3110170.7176.60000107.4
71S34.5Very low36.5Very low113 Ų113145.8 Ų145.879%0.7984%0.838SS**  trans-88122.8170.4-630000109
72Y32.9Very low36.3Very low230 Ų230144.7 Ų144.790%0.90284%0.836SS**  trans-89.5125.1170.3-126.2-90.2000108.3
73S35.8Very low36.4Very low105 Ų105145.1 Ų145.173%0.73483%0.833SS**  trans-117.6138174.1-167.20000110
74P41.2Very low35.8Very low112 Ų112147.3 Ų147.373%0.72784%0.835SS**  trans-82.7125.3179.7-2.421.2000111.1H76P74-H76 PolarHBondContact O-N 3.34Å
75A34.1Very low35.6Very low104 Ų104149.4 Ų149.486%0.8684%0.842SS**  trans-79.1111.7172.100000110.9
76H34.8Very low35.3Very low186 Ų186151.3 Ų151.386%0.86184%0.842SS**  trans-80.5129.2162.2-92.9-97.1000109.9P74P74-H76 PolarHBondContact O-N 3.34Å
77A36.7Very low36.1Very low99 Ų99150.6 Ų150.682%0.81883%0.828SS**  trans-130.4118.5167.100000109.3
78R34.4Very low35.9Very low236 Ų236147.2 Ų147.289%0.89182%0.823SS**  trans-102.6130.1164.5-79.1-167.8177.6-156.24.7108.6
79L40.8Very low36.5Very low178 Ų178150.1 Ų150.193%0.93282%0.824SS**  trans-136.1153.1160.2-81.7171.1000108.1
80T36.7Very low36.6Very low132 Ų132145.4 Ų145.481%0.8182%0.816SS**  trans-135.5144.2-159.146.60000113.9
81G31.7Very low36.4Very low87 Ų87147 Ų14790%0.89782%0.815SS**  trans81.2143.4-174.600000111.4
82G32.9Very low36.3Very low73 Ų73147.1 Ų147.175%0.75382%0.815SS**  cis165.1158.48.200000105.1
83Q33.7Very low37.3Very low171 Ų171142.5 Ų142.580%0.79981%0.813SS**  cis-143.1179.321.1-82.4-7615.100111.6
84M34.4Very low37.1Very low166 Ų166141 Ų14182%0.81882%0.815SS**  trans-60.4155.5-174.1-44.3-58.5172.200117.2
85C33.2Very low37.2Very low138 Ų138143.8 Ų143.893%0.93282%0.823SS**  trans-162.5134.5132.9-123.60000113.7
86R33.5Very low38Very low232 Ų232144.8 Ų144.888%0.87582%0.82SS**  trans-177.6-178.6-174.9-160.4-179.6162.8128.3-2.1106.9
87P53.4Low38Very low90 Ų90147.1 Ų147.158%0.58482%0.822SS**  cis-87.2-143-34.8-6.228000113.1
88H33.3Very low38.4Very low168 Ų168149.4 Ų149.478%0.77882%0.819SS**  cis-146.6178.717.4-88.8-88000113.2
89L45.3Very low38.3Very low154 Ų154145.8 Ų145.881%0.80682%0.818SS**  trans-111.5166.8159.9-60.185.5000109.3
90L37.4Very low37.9Very low144 Ų144140.7 Ų140.775%0.75481%0.808SS**  trans-178.6137131.7-116.869000114.4
91H33.2Very low37.7Very low170 Ų170138.4 Ų138.479%0.78781%0.81SS**  trans50.3150.8151.3-58.4133.4000126.4
92S32.8Very low38.1Very low115 Ų115144.1 Ų144.180%0.80481%0.811SS**  trans-93.3-173.6164.3-32.70000110.2
93P54.3Low38.1Very low132 Ų132145.4 Ų145.486%0.85781%0.814SS**  cis-142.8-174.627.843.7-23.1000117.3
94G32.1Very low38.1Very low75 Ų75141.3 Ų141.377%0.77381%0.81SS**  trans169.4138.4165.100000115.7
95L42Very low38.1Very low170 Ų170141 Ų14189%0.8981%0.81SS**  trans-131.6162.9171.1-74171.8000109.4
96P51.8Low38Very low124 Ų124139.7 Ų139.781%0.80580%0.803SS**  -146.9-175.1108.536.1-17.8000116.3
97W34.7Very low37.9Very low236 Ų236133.2 Ų133.289%0.89480%0.799SS**  trans-64.6178.2-172.7-56-30.3000116.2
98L44Very low36.9Very low147 Ų147134 Ų13477%0.7781%0.814SS**  cis-140.415627.2-61.6149.9000109.9
99D32.5Very low36.9Very low160 Ų160131.2 Ų131.286%0.85682%0.819SS**  60.6123.252.5-149.88.5000113.4
100G32.4Very low36.3Very low70 Ų70128 Ų12872%0.72281%0.814SS**  cis-177.9172.7-600000110.7
101G33.6Very low36.1Very low84 Ų84130.4 Ų130.487%0.86682%0.822SS**  trans174.6143.9178.400000115.6
102K40.1Very low36.1Very low208 Ų208131.3 Ų131.390%0.90483%0.826SS**  trans-148.5120.1-176.147.3167.4-173.5-65.70112.4
103A33.4Very low36.4Very low99 Ų99134.1 Ų134.182%0.81883%0.826SS**  trans-178138.6152.300000114
104A32.9Very low35.5Very low86 Ų86134.9 Ų134.971%0.71182%0.823SS**  trans57.6118134.600000123.5
105L33.5Very low35.7Very low158 Ų158136.4 Ų136.483%0.82782%0.819SS**  trans78.9109.8131.6-63.3170.6000122
106S31.8Very low35.3Very low111 Ų111140.1 Ų140.178%0.77682%0.821SS**  87.2149.9128.8-61.90000121.7
107A32Very low34.7Very low97 Ų97140.7 Ų140.780%0.80282%0.823SS**  trans78.6108.6166.300000120.2
108A31.7Very low34.7Very low107 Ų107135.9 Ų135.988%0.88482%0.819SS**  trans50.5106.3138.300000121.4
109A33.5Very low34.6Very low108 Ų108134.6 Ų134.689%0.89382%0.823SS**  trans-144146.8145.500000109.8
110A33.3Very low35.5Very low86 Ų86131.5 Ų131.571%0.71181%0.811SS**  trans-96.8150-172.400000113.5H112A110-H112 PolarHBondContact O-N 3.38Å
111H32.4Very low35.7Very low196 Ų196137.6 Ų137.691%0.90782%0.818SS**  trans-71.6115.5168.8-77.4-86.6000110.9
112H33Very low35.8Very low189 Ų189138.3 Ų138.388%0.87581%0.81SS**  trans-79.1131.7165.6-81.9-99.6000110.7A110A110-H112 PolarHBondContact O-N 3.38Å
113H39Very low35.6Very low174 Ų174138.2 Ų138.281%0.80681%0.81SS**  trans-115.5151.9176.8-164.9-86.5000111.3P115H113-P115 WeakPolarHBondContact O-CD 3.41Å
114N36.4Very low35.9Very low148 Ų148139.5 Ų139.579%0.79181%0.808SS**  trans-60.3130.3-178.1-97.7-36.3000113
115P35.1Very low36.7Very low107 Ų107140.3 Ų140.370%0.69581%0.806SS**  trans-113.9105.2175.736.3-25000113.4H113H113-P115 WeakPolarHBondContact O-CD 3.41Å
116W33.8Very low36.7Very low247 Ų247140.2 Ų140.294%0.93681%0.805SS**  trans-146.843168.7-95.1107.3000113.9
117T39.7Very low37.2Very low137 Ų137143.2 Ų143.284%0.8481%0.806SS**  trans-142.695.7168.552.40000112
118V35.2Very low38Very low135 Ų135143 Ų14382%0.81880%0.797SS**  trans-140124.4163.7-177.50000109.7
119S40.4Very low38.2Very low120 Ų120143.2 Ų143.284%0.83979%0.792SS**  trans-113.2142153.9-68.40000107.3
120P51.2Low38.3Very low94 Ų94142.8 Ų142.861%0.6179%0.788SS**  trans-102.4150.2-15739.7-37.4000115.2
121F37.2Very low38.5Very low198 Ų198143.3 Ų143.387%0.86879%0.793SS**  trans65.7144.2165.2-55.2-68.7000118.9
122S36.4Very low38.6Very low100 Ų100137.8 Ų137.870%0.69979%0.788SS**  cis-176.1136.7-23.9490000112.1
123K36.3Very low38.5Very low206 Ų206132.4 Ų132.490%0.89678%0.784SS**  -167.1162.8128.2-122.1177.9178.7179.50112.8
124T38.6Very low39Very low126 Ų126130.9 Ų130.977%0.77379%0.79SS**  trans-137.1-177.3-17651.70000108.6
125P49.2Very low38.9Very low103 Ų103127.6 Ų127.667%0.66979%0.791SS**  -129.9-178.1-5735.1-18.6000111.9
126L34.6Very low38.9Very low156 Ų156126 Ų12682%0.81779%0.794SS**  162.7112.8123.9-85.1169.7000113.4
127H41.9Very low39.7Very low173 Ų173119.8 Ų119.880%0.80179%0.786SS**  20.4156.7127.1-99.7-138.4000122.5
128P49.9Very low39.5Very low93 Ų93120.9 Ų120.960%0.60479%0.785SS**  cis-152.4-177.8-2938.7-18.4000118.4
129S35.3Very low39.5Very low112 Ų112119.7 Ų119.778%0.78378%0.783SS**  103.9142.8126.6-90.30000122.2
130A36.1Very low39.2Very low98 Ų98120.7 Ų120.781%0.8178%0.784SS**  trans67.3151162.200000119
131A36.7Very low38.5Very low98 Ų98126.6 Ų126.681%0.8180%0.796SS**  cis-174.8153.8-34.100000107.8
132G34Very low39.3Very low79 Ų79123 Ų12381%0.81479%0.792SS**  trans88.1108.1163.200000116.6
133G31.2Very low39Very low76 Ų76122 Ų12278%0.78480%0.797SS**  trans-94.3-153.914000000109.1
134P49.3Very low39Very low142 Ų142117.5 Ų117.592%0.92280%0.799SS**  cis-122-175.2-2.541.4-27.9000112.3
135G35.3Very low38.6Very low79 Ų79115.1 Ų115.181%0.81480%0.799SS**  trans166.77316600000120.2
136G34.8Very low37.8Very low75 Ų75114.4 Ų114.477%0.77381%0.81SS**  trans74.6167.2144.300000120.2
137P50.8Low37.6Very low116 Ų116110.5 Ų110.575%0.75381%0.808SS**  trans-142.2-180-153.644.1-24.7000117.1
138L34.7Very low37.3Very low159 Ų159108.2 Ų108.283%0.83281%0.811SS**  trans67.7117.1164.5-54.2-176.5000115.8
139S36Very low36.5Very low110 Ų110107.9 Ų107.977%0.76983%0.825SS**  82.9117.163.6-175.50000113.6
140V34.8Very low36.4Very low141 Ų141106.6 Ų106.686%0.85583%0.829SS**  trans-176.3138.1149136.80000110.9
141Y35.7Very low36.2Very low219 Ų219105.7 Ų105.786%0.85983%0.829SS**  trans-102.2178.6168.2-104.4-79.5000108.2
142P53.8Low36.1Very low122 Ų122109.5 Ų109.579%0.79284%0.836SS**  cis-128-169.9-1940.4-24.6000112.1
143G29.5Very low36.1Very low79 Ų79109.4 Ų109.481%0.81484%0.835SS**  trans177.1141.1163.400000113.9
144A37.3Very low36.3Very low112 Ų112111.3 Ų111.393%0.92684%0.836SS**  trans-144.6151.1177.900000111.4
145G30.3Very low35.6Very low76 Ų76109.7 Ų109.778%0.78483%0.828SS**  trans157.1145.8169.500000115.6
146G31.2Very low35.7Very low87 Ų87112.6 Ų112.690%0.89783%0.83SS**  trans74.7140.4-179.700000113.3
147G30.6Very low35.8Very low74 Ų74113.2 Ų113.276%0.76383%0.828SS**  cis124.5153.727.500000107.6
148S36.7Very low34.9Very low126 Ų126112.5 Ų112.588%0.88183%0.825SS**  cis-163.5147.2-2.2-67.10000109.2
149G33.3Very low34.8Very low86 Ų86112.9 Ų112.989%0.88783%0.828SS**  trans71.1167.517100000116.2
150G32.1Very low34.8Very low85 Ų85113.5 Ų113.588%0.87683%0.827SS**  cis137.3128.9-7.700000113.3
151G32.5Very low35.4Very low78 Ų78113 Ų11380%0.80483%0.826SS**  trans125.8136.3170.100000115.4
152N34.3Very low35.2Very low179 Ų179109 Ų10996%0.95783%0.825SS**  trans-89.1155.6174.4-60.7-11.4000110.7
153G34.8Very low34.3Very low77 Ų77107.8 Ų107.879%0.79483%0.825SS**  trans-158.1122.8172.200000112.7
154S34.4Very low34.5Very low116 Ų116107.2 Ų107.281%0.81181%0.813SS**  trans-76.4162.5-172.5-54.40000114.8
155S35.3Very low34.3Very low107 Ų107110.6 Ų110.675%0.74881%0.809SS**  trans19.9140138.3-41.80000119.3
156V37.8Very low34.3Very low140 Ų140112.6 Ų112.685%0.84881%0.811SS**  -161.3-17458.7-76.10000112.4
157A35.3Very low34.4Very low88 Ų88112.1 Ų112.173%0.72781%0.807SS**  trans-68.2179.8171.100000112.5
158S31.9Very low34.7Very low101 Ų101114 Ų11471%0.70681%0.808SS**  cis-170.5172.326.5-150.20000114.3
159L32.9Very low34.9Very low168 Ų168116 Ų11688%0.8880%0.803SS**  trans73.8156.5158.4-62173000121.2
160T37.2Very low35.1Very low122 Ų122118.1 Ų118.175%0.74879%0.793SS**  trans-99.7164.4-172.654.20000113.6
161P46.6Very low35.5Very low130 Ų130123.5 Ų123.584%0.84479%0.793SS**  -142.8-166.8105.838.4-23.3000115.1
162T32.2Very low35.7Very low135 Ų135122.9 Ų122.983%0.82879%0.787SS**  trans-113.5162.9-156.5-31.90000114.4
163A34.2Very low36.2Very low97 Ų97124.1 Ų124.180%0.80278%0.784SS**  trans72.3153.4160.200000117.6
164A33.6Very low36.7Very low68 Ų68125.9 Ų125.956%0.56278%0.781SS**  cis-167175-20.900000109.7
165H32.8Very low37.6Very low183 Ų183126.3 Ų126.385%0.84778%0.781SS**  trans69.7150.8172.6-44.1-72.4000115.1
166S31.6Very low38.3Very low117 Ų117127.4 Ų127.482%0.81878%0.784SS**  cis-149.4158.9-14.8-99.40000108.2
167G32.6Very low38.8Very low78 Ų78126.3 Ų126.380%0.80478%0.78SS**  trans-116.9-176.7-169.200000116.7
168S36.5Very low39.6Very low114 Ų114128.1 Ų128.180%0.79778%0.784SS**  trans-156.5116.1170.243.10000115.4
169H40.7Very low39.9Very low167 Ų167133 Ų13377%0.77379%0.793SS**  trans49.5119142.4-72.9-95.7000124.8
170L38.4Very low40Very low131 Ų131134.3 Ų134.369%0.68679%0.794SS**  trans62.7143.3131.6-52.5173.1000119.3
171F40.1Very low39.9Very low197 Ų197135 Ų13586%0.86480%0.798SS**  cis-134.1168.78.6-68-101.7000109
172G35.8Very low39.5Very low66 Ų66134 Ų13468%0.6879%0.794SS**  cis13982.51.800000112.4
173F46Very low40.1Very low204 Ų204133 Ų13390%0.89579%0.79SS**  trans-130.6152.3173.8-88.6-85.9000110.9
174P45.9Very low40.1Very low114 Ų114135.8 Ų135.874%0.7479%0.791SS**PPolyproline II helixtrans-83.4141.7-169.332.4-34.8000113.9
175P52.5Low40.9Very low125 Ų125138.6 Ų138.681%0.81280%0.804SS**PPolyproline II helixtrans-82.8157.6177.933.7-35.5000113.8
176T49.3Very low41Very low130 Ų130134.8 Ų134.880%0.79880%0.798SS**PPolyproline II helixtrans-84.1154.4172.147.60000112.5
177P48.6Very low41.3Very low118 Ų118135.2 Ų135.277%0.76680%0.796SS**PPolyproline II helixtrans-68.6152.2179.229.3-36.2000113.1
178P52.3Low41.4Very low126 Ų126138.9 Ų138.982%0.81880%0.803SS**PPolyproline II helixtrans-76.9168.8178.733.1-36.2000113.1
179K39Very low41.1Very low203 Ų203137 Ų13788%0.88380%0.801SS**PPolyproline II helixtrans-82.9145165.9-65.7176.9176.7178.20109.9
180E33.3Very low40.9Very low196 Ų196134.2 Ų134.292%0.91681%0.807SS**PPolyproline II helixtrans-86.8157.3161.1-61.5-16314900111.2
181V36.3Very low40.6Very low136 Ų136132.7 Ų132.782%0.82481%0.813SS**  trans-123.7142.4-174.6590000109.6
182S36.9Very low40.4Very low108 Ų108128.9 Ų128.976%0.75581%0.811SS**  trans-75.2139.5-178.5-160.70000111.4
183P46.6Very low40.9Very low115 Ų115131.9 Ų131.975%0.74782%0.818SS**  trans-86.1136.6164.733.4-30.7000111.1
184D32.9Very low40.1Very low156 Ų156125.2 Ų125.283%0.83481%0.808SS**  trans-118.4135.6167.2-117.7-43.8000107.8
185P50.5Low39.5Very low126 Ų126125.9 Ų125.982%0.81882%0.815SS**  trans-112.4116.5173.234.8-24.9000113.3
186S35.9Very low38.6Very low103 Ų103124.7 Ų124.772%0.7281%0.809SS**  trans-136.4149.7170.349.20000108.4
187T36.3Very low37.8Very low127 Ų127123.5 Ų123.578%0.77981%0.806SS**  cis-165.7148.4-1.616.90000109.2
188T35.1Very low37.1Very low155 Ų155122.9 Ų122.995%0.95181%0.812SS**  trans173.6150.5147.421.80000107.7
189G30.7Very low36Very low74 Ų74120.6 Ų120.676%0.76381%0.811SS**  cis-160.6170.2-400000110
190A36.1Very low35.6Very low109 Ų109114.5 Ų114.590%0.90181%0.806SS**  trans-79.3147.6-163.100000116.8
191A32.2Very low35.6Very low99 Ų99111.1 Ų111.182%0.81880%0.804SS**  trans-167.6154.6138.900000112.6
192S35.4Very low35.4Very low116 Ų116109.5 Ų109.581%0.81181%0.805SS**  trans-137.3151162.1-57.20000107.3
193P46.3Very low35.2Very low129 Ų129108.7 Ų108.784%0.83881%0.805SS**  -126.8-174.575.98.815.4000112
194G30.5Very low34.5Very low65 Ų65114.8 Ų114.867%0.6781%0.813SS**  cis129.8120.7-2.400000112.7
195S33Very low34.5Very low127 Ų127110.4 Ų110.489%0.88880%0.804SS**  trans68.9152.9178-65.20000116.2
196S33.1Very low33.7Very low100 Ų100113.3 Ų113.370%0.69981%0.806SS**  cis-161.2163.3-643.20000113.4
197S33Very low33.6Very low105 Ų105114.1 Ų114.173%0.73480%0.803SS**  trans61.3116.4142.9610000123.9
198A32.9Very low33.6Very low106 Ų106115.2 Ų115.288%0.87680%0.797SS**  72.2130.4123.900000124.2
199G29.6Very low33.6Very low78 Ų78114.8 Ų114.880%0.80479%0.789SS**  109.2136.5123.900000119.9
200G30.1Very low33.7Very low75 Ų75113.8 Ų113.877%0.77378%0.778SS**  trans80.7132.9166.900000115.2
201S33.2Very low33.9Very low125 Ų125115.7 Ų115.787%0.87478%0.778SS**  cis95.5104.222.1-58.40000117
202A32.1Very low33.9Very low102 Ų102118 Ų11884%0.84377%0.77SS**  trans71.5117.3146.100000123.5
203A33.2Very low33.8Very low91 Ų91121.3 Ų121.375%0.75277%0.766SS**  73.6118.6123.700000125.3
204R32.9Very low33Very low243 Ų243122.6 Ų122.692%0.91776%0.761SS**  trans72.9154.9137-70.9-175.9171.2-100.91.8122
205G33.1Very low33Very low63 Ų63126.2 Ų126.265%0.64977%0.769SS**  trans106.5127.1-173.800000111.1
206E32.9Very low32.9Very low187 Ų187124.5 Ų124.587%0.87476%0.757SS**  cis64126.633.2-63.9168.269.100112.4
207D34.6Very low32.8Very low120 Ų120127.5 Ų127.564%0.64277%0.765SS**  cis-150.3170.816.1179.8-140000113
208K35.6Very low32.9Very low151 Ų151129 Ų12966%0.65777%0.769SS**  trans2.1153.2164.6-80.6160.921.9-92.90122
209D35Very low32.8Very low146 Ų146132.5 Ų132.578%0.78177%0.768SS**  cis-151.5-173.912.6-126.4-65.5000108.5
210G32.3Very low33Very low52 Ų52134.9 Ų134.954%0.53677%0.772SS.*  cis171.9-142.58.300000113.6
211V40.7Very low33.1Very low149 Ų149140.4 Ų140.490%0.90378%0.78SS**  trans58.554.2169.5-157.60000118.5
212K33.2Very low33.2Very low149 Ų149144.4 Ų144.465%0.64878%0.782SS**  29.4118.8122.3-165.4-170.6-170.1-165.40119.9
213Y32.8Very low33.2Very low185 Ų185148.4 Ų148.473%0.72579%0.785SS**  -175.3146.2107.8-98.2-67.4000114.7
214Q28.8Very low33Very low156 Ų156153.3 Ų153.373%0.72979%0.792SS**  trans-30.8159.6173.6-92.7178.7-52.600119.6
215V30.7Very low33Very low140 Ų140147.3 Ų147.385%0.84879%0.788SS**  -142.9159.354.2164.50000114.2
216S31Very low33Very low91 Ų91147.5 Ų147.564%0.63679%0.79SS**  trans-74.2154.3-171.5-41.60000116.9
217L31.6Very low33Very low164 Ų164144.2 Ų144.286%0.85979%0.788SS**  trans-140.3126154.3-160.6167.2000108.3
218T34Very low33.8Very low135 Ų135143.9 Ų143.983%0.82879%0.792SS**  trans-116.3119.5-178.650.60000111.6
219E32.3Very low33.8Very low180 Ų180144.2 Ų144.284%0.84180%0.8SS**  trans-118120.5167.4-178.8169.7109.700110.3
220S32.8Very low34.1Very low128 Ų128148.2 Ų148.290%0.89580%0.804SS**  trans-174.8105.1156.9-86.10000109.7
221M33.5Very low34.7Very low191 Ų191150.5 Ų150.594%0.94181%0.809SS**  trans-120.1107166.859.61797800109.9
222K33.8Very low34.3Very low210 Ų210146.8 Ų146.891%0.91380%0.801SS**  trans-136.3131.8168.5-173.1178.6176-171.80108.2
223M33Very low34.4Very low185 Ų185148 Ų14891%0.91181%0.814SS**  trans-123130.7-169.458.9-161.6178.400110.3
224E29.4Very low34.5Very low194 Ų194143.2 Ų143.291%0.90781%0.812SS**  trans-137.6144.9169.2-168.8147.682.200108.7
225S33.3Very low34.7Very low118 Ų118142.2 Ų142.283%0.82582%0.817SS**  trans-89.9127.8-160.8-168.10000112.8
226G32.1Very low34.9Very low66 Ų66144.2 Ų144.268%0.6882%0.819SS**  trans-79.6156.7169.900000113.2
227S33.8Very low35Very low119 Ų119143 Ų14383%0.83282%0.821SS**  trans-154.9151.4162.2-82.80000109.2
228P51Low35Very low112 Ų112141.5 Ų141.573%0.72782%0.819SS**  -130.4177.2-12639.7-25.6000117.3
229L34.3Very low35.1Very low158 Ų158143.3 Ų143.383%0.82782%0.818SS**  trans76.7108.3167.2-49-178.5000115.4
230R41Very low35.9Very low231 Ų231140.1 Ų140.187%0.87281%0.813SS**  98.115776-99-133.7103.5-159.3-2.2112.1
231P46.8Very low35.9Very low100 Ų100138.4 Ų138.465%0.64981%0.807SS**  -134.9172.2-125.744.6-30.5000117.4
232G30.4Very low35.9Very low70 Ų70135.8 Ų135.872%0.72280%0.802SS**  trans-149.2117.2153.200000107.7
233L35.8Very low36Very low176 Ų176133.8 Ų133.892%0.92180%0.795SS**  63.7116.584.1-172.863.8000113
234A35.8Very low36.1Very low84 Ų84131.6 Ų131.669%0.69478%0.782SS**  trans-96137.9173.400000111.2
235T32.8Very low37.1Very low135 Ų135127.9 Ų127.983%0.82878%0.775SS**  trans177.9128.9141.9-74.10000107.5
236M33.6Very low37.1Very low181 Ų181129.7 Ų129.789%0.89277%0.774SS**PPolyproline II helixtrans-104131.5164.6-85.2-67.1-70.200109.2
237G34Very low38.2Very low66 Ų66131.9 Ų131.968%0.6878%0.776SS**PPolyproline II helixtrans-79.4172.6174.400000113.2
238T31.1Very low38.2Very low132 Ų132133.3 Ų133.381%0.8178%0.78SS**PPolyproline II helixtrans-81.2130-176.743.60000114.3
239Q35.9Very low37.2Very low174 Ų174137.6 Ų137.681%0.81378%0.783SS**  trans68.4162.9148-60.6-67.23.900118.6
240P49.3Very low38.1Very low112 Ų112135 Ų13573%0.72778%0.775SS**  cis-130.6161-31.234.3-19.6000113.6
241A33.3Very low37.8Very low93 Ų93128.3 Ų128.377%0.76976%0.764SS**  trans173118.2140.200000115.1
242T34.3Very low37.1Very low136 Ų136133.9 Ų133.983%0.83477%0.774SS**  trans21.9107.8143.757.50000123.2
243H34.9Very low37.6Very low168 Ų168136.1 Ų136.178%0.77877%0.773SS**  57.8155.8123-121.7-113.2000124.4
244H34.7Very low38.4Very low139 Ų139132.8 Ų132.864%0.64476%0.762SS**  trans-101.9-179.5-171.154.4-116.4000112.8
245P51.2Low38.3Very low116 Ų116133.4 Ų133.475%0.75377%0.768SS**  cis-142.3-134.522.241.9-17.1000117.7
246I33.1Very low38.3Very low156 Ų156131.7 Ų131.780%0.877%0.767SS**  trans-102.2-162.7-149.6-26.5178.4000114.2
247P55.2Low38.4Very low111 Ų111126.8 Ų126.872%0.72176%0.755SS**  -114.2162.1-113.640.2-24.3000118.7
248T34Very low38.5Very low149 Ų149132.3 Ų132.391%0.91476%0.763SS**  trans-155.9-172.1164.3-16.60000114.3
249Y30.6Very low38.7Very low202 Ų202133 Ų13379%0.79276%0.762SS**  trans-156.6162.5-166.9-164.5-129.7000107.6
250P52.6Low38.6Very low103 Ų103135 Ų13567%0.66976%0.763SS**  cis-142.6-165.123.946.6-26.6000117.6
251S34.1Very low37.8Very low92 Ų92134 Ų13464%0.64376%0.759SS**  trans-7.1146.9160.9-51.30000124.2
252Y32.5Very low38.1Very low216 Ų216135.4 Ų135.485%0.84776%0.763SS**  trans-152.7154.5132.8-155.6-104.2000114.2
253V40.3Very low38.1Very low117 Ų117132 Ų13271%0.70976%0.755SS**  trans-158154.9174.9-126.10000105.4
254P53.1Low38.4Very low106 Ų106132 Ų13269%0.68876%0.76SS**  cis-154.4-14745.945.2-21.5000115.6
255A33.5Very low38.8Very low98 Ų98134.3 Ų134.381%0.8177%0.769SS**  trans86.1135.9172.500000115.7
256A33.8Very low38.2Very low99 Ų99137.6 Ų137.682%0.81877%0.774SS**  cis-159.5167-200000108.9
257A33.9Very low39Very low78 Ų78135.6 Ų135.665%0.64577%0.771SS**  cis-172-176.8-21.900000109.4
258H37.2Very low38.2Very low182 Ų182133.9 Ų133.984%0.84377%0.774SS**  trans80.5127166.5-62.8-69.3000121.8
259D35.3Very low38.3Very low147 Ų147130.7 Ų130.779%0.78677%0.77SS**  trans-46.8166.9158.4-54.5-109.1000113.7
260Y33.7Very low38.9Very low214 Ų214131 Ų13184%0.83978%0.776SS**  -176.1156.554.2-173.2-116.2000114.2
261S32.9Very low38.6Very low92 Ų92134.9 Ų134.964%0.64379%0.79SS**  trans58.3134.8158.3-167.90000123.5
262S40.1Very low38.7Very low122 Ų122134.5 Ų134.585%0.85380%0.801SS**  trans-50.5150.7160.9-47.50000117.1
263G33.7Very low38.8Very low65 Ų65127.7 Ų127.767%0.6780%0.796SS**  trans-178.6111.4160.800000109.6
264L41Very low39.4Very low167 Ų167128.7 Ų128.787%0.87481%0.805SS**  71.2134.190.5-75.8171000115.9
265F42.6Very low39.2Very low188 Ų188128.3 Ų128.383%0.82581%0.811SS**  trans-51.6150.9-172.7-52.9-99.7000115.9
266H39.1Very low39.7Very low185 Ų185128.8 Ų128.886%0.85681%0.808SS**  trans-166.8172147-96.9106.1000108.8
267P49.2Very low40Very low115 Ų115128.6 Ų128.675%0.74780%0.801SS**  -121.7-173.5-82.631.6-10.6000113.3
268G38.8Very low40.5Very low75 Ų75135.3 Ų135.377%0.77382%0.816SS**  trans-77.6145.2178.400000114.2
269G35.6Very low41.1Very low82 Ų82130.9 Ų130.985%0.84580%0.802SS**  trans-104.3120.5172.800000112.5
270F43.8Very low41.4Very low209 Ų209130 Ų13092%0.91780%0.804SS**  trans-83.6124.4167.6-80.8-104.9000110.3
271L47.4Very low41.6Very low184 Ų184128.2 Ų128.296%0.96380%0.801SS**  trans-147.9140.3143.1-80.4-171.6000108.9
272G36.1Very low42.2Very low84 Ų84132.2 Ų132.287%0.86681%0.809SS**  trans-100.9155.3-175.500000113.9
273G34.3Very low42.1Very low72 Ų72136.3 Ų136.374%0.74281%0.806SS**  trans-138.3146.3167.500000109.8
274P51.9Low42.7Very low138 Ų138138.2 Ų138.290%0.89681%0.809SS**  trans-77.8166.6-163.430.5-36.3000114.9
275A48.6Very low42.9Very low99 Ų99137.8 Ų137.882%0.81880%0.8SS**  trans-76.7151.2-169.300000114.8
276S44.2Very low43.1Very low108 Ų108133 Ų13376%0.75580%0.795SS**  trans-152.3147.5158.4179.70000111.1
277S40.1Very low43.5Very low95 Ų95134.6 Ų134.666%0.66479%0.794SS**  trans62.970.9160.2-570000117.8T279S277-T279 VanDerWaalsContact C-N 3.3Å; S277-T279 PolarHBondContact O-N 3.48Å
278F44.1Very low43.5Very low218 Ų218135.2 Ų135.296%0.95680%0.801SS**  trans-60.792152.9-82.8-82.7000110.4
279T49.7Very low43.9Very low90 Ų90135.7 Ų135.755%0.55279%0.792SS**  trans-110.7118.8160.455.60000108.4S277 K281S277-T279 VanDerWaalsContact C-N 3.3Å; S277-T279 PolarHBondContact O-N 3.48Å; T279-K281 PolarHBondContact O-N 3.35Å
280P42.8Very low44.8Very low128 Ų128135 Ų13583%0.83177%0.774SS**  trans-75.169.117332.3-34.4000108.7Q282P280-Q282 VanDerWaalsContact C-N 3.33Å; P280-Q282 PolarHBondContact O-N 3.47Å
281K38Very low45.8Very low177 Ų177133.7 Ų133.777%0.7777%0.77SS**  trans-59102.7167.5-75.9-173.4179.5179.10106.7T279 R283T279-K281 PolarHBondContact O-N 3.35Å; K281-R283 PolarHBondContact O-N 3.46Å
282Q44.4Very low47.2Very low175 Ų175128.6 Ų128.682%0.81876%0.762SS**  trans-54.585.2166-92.6-78-4.900107.7P280 S284P280-Q282 VanDerWaalsContact C-N 3.33Å; P280-Q282 PolarHBondContact O-N 3.47Å; Q282-S284 PolarHBondContact O-N 3.42Å
283R38.6Very low49.7Very low209 Ų209128.3 Ų128.379%0.78974%0.735SS**  trans-72.980.8172.1-169.3178.3-168.6174.36.6105.6K281 K285K281-R283 PolarHBondContact O-N 3.46Å; R283-K285 PolarHBondContact O-N 3.45Å
284S46.8Very low52.5Low104 Ų104128.2 Ų128.273%0.72772%0.715SS**  trans-58.175162.945.20000107.9Q282 A286Q282-S284 PolarHBondContact O-N 3.42Å; S284-A286 PolarHBondContact O-N 2.78Å
285K44.5Very low54.5Low158 Ų158121.6 Ų121.669%0.68767%0.672SS**  trans-69.876.7170-177.2132.8-179.6176.10106R283 R287R283-K285 PolarHBondContact O-N 3.45Å; K285-R287 PolarHBondContact O-N 3.41Å
286A46.4Very low56.6Low88 Ų88120.6 Ų120.673%0.72766%0.656SS**  trans-47.6105.4169.700000106.2S284 S288S284-A286 PolarHBondContact O-N 2.78Å; A286-S288 PolarHBondContact O-N 3.24Å
287R48.5Very low58.8Low218 Ų218116.7 Ų116.782%0.82363%0.626SS**  trans-70.7102.6-175.9-67.8-167.7-175-160.64.9106.1K285 C289 S290K285-R287 PolarHBondContact O-N 3.41Å; R287-C289 PolarHBondContact O-N 3.3Å; R287-S290 PolarHBondContact O-N 3.45Å
288S47.8Very low61.1Low128 Ų128113.5 Ų113.590%0.89560%0.604SS**THydrogen-bonded Turntrans-66.658.9-179.443.10000112.3A286A286-S288 PolarHBondContact O-N 3.24Å
289C48.2Very low63.3Low86 Ų86104.1 Ų104.158%0.58157%0.569SS**THydrogen-bonded Turntrans-160.112.2178.3-159.50000111.8R287 R293R287-C289 PolarHBondContact O-N 3.3Å; C289-R293 PolarHBondContact O-NH2 3.01Å; C289-R293 PolarHBondContact SG-NH2 3.02Å; C289-R293 VanDerWaalsContact SG-NH2 3.36Å
290S55.4Low65.3Low67 Ų67101.4 Ų101.447%0.46956%0.555SS.*  trans-71.9-34.4169.7410000112.6R287 G292 R293R287-S290 PolarHBondContact O-N 3.45Å; S290-G292 PolarHBondContact O-N 3.37Å; S290-R293 PolarHBondContact O-N 2.97Å
291E63.1Low67.6Low182 Ų182100.1 Ų100.185%0.8555%0.545SS*.THydrogen-bonded Turntrans-55.5-16.2-164.2-130.455-148.500117.5
292G76.9Confident70.1Confident76 Ų7695.6 Ų95.678%0.78454%0.54SS*.THydrogen-bonded Turntrans-108.5-1.1-176.200000116.4S290S290-G292 PolarHBondContact O-N 3.37Å
293R89.5Confident72.4Confident79 Ų7988.9 Ų88.930%0.29851%0.512SS..  trans-106.4101.3-174.8-79174.1-93.3-134.7-6.8111.8C289 S290 T301 W306 Y314C289-R293 PolarHBondContact O-NH2 3.01Å; C289-R293 PolarHBondContact SG-NH2 3.02Å; C289-R293 VanDerWaalsContact SG-NH2 3.36Å; S290-R293 PolarHBondContact O-N 2.97Å; R293-T301 WeakPolarHBondContact O-CA 3.39Å; R293-W306 HydrophobicContact CB-CH2 3.91Å; R293-W306 HydrophobicContact CB-CZ2 3.63Å; R293-W306 WeakPolarHBondContact O-CH2 3.43Å; R293-W306 WeakPolarHBondContact O-CZ2 3.37Å; R293-Y314 HydrophobicContact CG-CD1 4.36Å; R293-Y314 HydrophobicContact CG-CD2 4.31Å; R293-Y314 HydrophobicContact CG-CE1 4.38Å; R293-Y314 HydrophobicContact CG-CE2 4.33Å; R293-Y314 HydrophobicContact CG-CG 4.33Å
294E92.9Very high74.9Confident69 Ų6985 Ų8532%0.32251%0.513SS..  trans-98.8140.8160.979160.3135.900111.1V296 G299 T301 K336 R338E294-V296 PolarHBondContact O-N 3.22Å; E294-G299 WeakPolarHBondContact OE2-CA 3.45Å; E294-T301 HydrophobicContact CB-CG2 4.37Å; E294-K336 IonicContact OE2-NZ 2.67Å; E294-K336 PolarHBondContact OE2-NZ 3.06Å; E294-R338 IonicContact OE1-CZ 3.9Å; E294-R338 IonicContact OE1-NE 2.86Å; E294-R338 IonicContact OE1-NH2 3.45Å; E294-R338 PolarHBondContact OE1-NH2 3.31Å
295C93.6Very high77.2Confident0 Ų084.1 Ų84.10%050%0.5CS..  trans-64123168.8171.30000110.4N297 C298 G299 A300 W306 Y314 C316C295-N297 VanDerWaalsContact C-N 3.26Å; C295-N297 PolarHBondContact O-N 2.96Å; C295-C298 PolarHBondContact O-N 3.11Å; C295-G299 VanDerWaalsContact O-CA 3.28Å; C295-G299 WeakPolarHBondContact O-CA 3.44Å; C295-G299 PolarHBondContact O-N 3.42Å; C295-A300 HydrophobicContact CB-CB 4.41Å; C295-A300 PolarHBondContact N-O 3.15Å; C295-W306 HydrophobicContact CB-CZ3 4.18Å; C295-Y314 WeakPolarHBondContact CA-O 3.47Å; C295-C316 HydrophobicContact CB-CB 3.91Å; C295-C316 PolarHBondContact SG-N 2.98Å
296V92.1Very high79.6Confident78 Ų7880.1 Ų80.147%0.47348%0.481SS..THydrogen-bonded Turntrans-61.4-33.2-175.5-61.80000113.4E294 H313 Y314 L315E294-V296 PolarHBondContact O-N 3.22Å; V296-H313 HydrophobicContact CG1-CB 4.03Å; V296-H313 HydrophobicContact CG2-CB 3.9Å; V296-Y314 PolarHBondContact N-O 3.48Å; V296-L315 HydrophobicContact CG2-CD2 3.68Å; V296-L315 HydrophobicContact CG2-CG 4.5Å
297N90.7Very high81.9Confident26 Ų2680 Ų8014%0.13946%0.462CS..THydrogen-bonded Turntrans-73.5-59.2177.5175.7-78000111.8C295 L315 C319 N329 R330 L332C295-N297 VanDerWaalsContact C-N 3.26Å; C295-N297 PolarHBondContact O-N 2.96Å; N297-L315 HydrophobicContact CB-CD2 3.9Å; N297-C319 HydrophobicContact CB-CB 4.1Å; N297-C319 PolarHBondContact OD1-SG 2.84Å; N297-N329 WeakPolarHBondContact ND2-CB 3.32Å; N297-N329 PolarHBondContact ND2-OD1 2.89Å; N297-R330 PolarHBondContact ND2-N 3.3Å; N297-L332 WeakPolarHBondContact OD1-CD1 3.38Å
298C90Very high84.1Confident28 Ų2876.6 Ų76.619%0.18945%0.448CS..THydrogen-bonded Turntrans-106.3-20.3-169.374.20000115.9C295 A300 C316 C319 L332C295-C298 PolarHBondContact O-N 3.11Å; C298-A300 PolarHBondContact SG-N 2.85Å; C298-A300 VanDerWaalsContact SG-N 3.45Å; C298-C316 PolarHBondContact SG-SG 3.32Å; C298-C319 VanDerWaalsContact SG-SG 3.62Å; C298-L332 HydrophobicContact CB-CD1 4Å; C298-L332 HydrophobicContact CB-CD2 4.09Å; C298-L332 HydrophobicContact CB-CG 4.44Å
299G89.4Confident86.1Confident21 Ų2172.5 Ų72.522%0.21642%0.417CS..  trans82.79.3-175.800000116.9E294 C295 T301 K336E294-G299 WeakPolarHBondContact OE2-CA 3.45Å; C295-G299 VanDerWaalsContact O-CA 3.28Å; C295-G299 WeakPolarHBondContact O-CA 3.44Å; C295-G299 PolarHBondContact O-N 3.42Å; G299-T301 PolarHBondContact O-N 3.49Å; G299-K336 VanDerWaalsContact N-NZ 3.16Å
300A90.5Very high88.1Confident33 Ų3373 Ų7327%0.27344%0.437SS..  trans-58.5122.7169.800000109.5C295 C298 W306 C316C295-A300 HydrophobicContact CB-CB 4.41Å; C295-A300 PolarHBondContact N-O 3.15Å; C298-A300 PolarHBondContact SG-N 2.85Å; C298-A300 VanDerWaalsContact SG-N 3.45Å; A300-W306 WeakPolarHBondContact O-CH2 3.45Å; A300-C316 HydrophobicContact CB-CB 4.22Å
301T92.3Very high89.8Confident101 Ų10175 Ų7562%0.6245%0.446SS*.SBendtrans-88.5-19.6173.748.70000112.4R293 E294 G299R293-T301 WeakPolarHBondContact O-CA 3.39Å; E294-T301 HydrophobicContact CB-CG2 4.37Å; G299-T301 PolarHBondContact O-N 3.49Å
302A89.9Confident91.1Very high81 Ų8167.9 Ų67.967%0.66942%0.422SS*.  trans-116.3143.3170.600000110.3
303T92.5Very high91.9Very high35 Ų3568.5 Ų68.522%0.21540%0.404CS..  trans-159.8146.5174.8-172.60000109.5L305 W306 C316 N317T303-L305 WeakPolarHBondContact CG2-O 3.46Å; T303-L305 PolarHBondContact O-N 2.86Å; T303-L305 PolarHBondContact OG1-O 3.45Å; T303-W306 HydrophobicContact CG2-CD2 3.48Å; T303-W306 VanDerWaalsContact CG2-CD2 3.48Å; T303-W306 HydrophobicContact CG2-CE3 3.88Å; T303-W306 HydrophobicContact CG2-CG 3.81Å; T303-W306 HydrophobicContact CG2-CH2 4.29Å; T303-W306 HydrophobicContact CG2-CZ2 3.94Å; T303-W306 HydrophobicContact CG2-CZ3 4.27Å; T303-C316 HydrophobicContact CG2-CB 4.09Å; T303-C316 WeakPolarHBondContact OG1-CB 3.32Å; T303-N317 PolarHBondContact OG1-N 2.84Å
304P92.4Very high92.1Very high126 Ų12668.4 Ų68.482%0.81840%0.404SS*.SBendtrans-65.3-23.3176.524.8-35.5000113.6N317P304-N317 HydrophobicContact CG-CB 4.42Å
305L93.8Very high92.2Very high86 Ų8665.6 Ų65.645%0.4539%0.391SS..SBendtrans-149.4125.8174179.762.2000110.7T303 N317T303-L305 WeakPolarHBondContact CG2-O 3.46Å; T303-L305 PolarHBondContact O-N 2.86Å; T303-L305 PolarHBondContact OG1-O 3.45Å; L305-N317 HydrophobicContact CB-CB 4.12Å; L305-N317 WeakPolarHBondContact O-CA 3.3Å; L305-N317 WeakPolarHBondContact O-CB 3.32Å; L305-N317 PolarHBondContact O-N 3.01Å
306W95.1Very high92.3Very high75 Ų7566 Ų6628%0.28439%0.394SS..EExtended strand (participates in β ladder)trans-79.2132.9168.7-73.8106.6000110.2R293 C295 A300 T303R293-W306 HydrophobicContact CB-CH2 3.91Å; R293-W306 HydrophobicContact CB-CZ2 3.63Å; R293-W306 WeakPolarHBondContact O-CH2 3.43Å; R293-W306 WeakPolarHBondContact O-CZ2 3.37Å; C295-W306 HydrophobicContact CB-CZ3 4.18Å; A300-W306 WeakPolarHBondContact O-CH2 3.45Å; T303-W306 HydrophobicContact CG2-CD2 3.48Å; T303-W306 VanDerWaalsContact CG2-CD2 3.48Å; T303-W306 HydrophobicContact CG2-CE3 3.88Å; T303-W306 HydrophobicContact CG2-CG 3.81Å; T303-W306 HydrophobicContact CG2-CH2 4.29Å; T303-W306 HydrophobicContact CG2-CZ2 3.94Å; T303-W306 HydrophobicContact CG2-CZ3 4.27Å
307R95Very high92.5Very high86 Ų8664.1 Ų64.133%0.32538%0.381SS..EExtended strand (participates in β ladder)trans-116.1162.2172-64.6-177.7-179.9-84.7-2.9109.4L315 N317R307-L315 HydrophobicContact CB-CB 4.45Å; R307-L315 PolarHBondContact N-O 3Å; R307-L315 PolarHBondContact O-N 3.26Å; R307-N317 VanDerWaalsContact CZ-OD1 3.31Å; R307-N317 PolarHBondContact NE-OD1 3.45Å; R307-N317 PolarHBondContact NH2-OD1 2.97Å
308R95.1Very high92.6Very high145 Ų14565.1 Ų65.155%0.54739%0.393SS..EExtended strand (participates in β ladder)trans-112.7152.1166.1-63-175.7-174.5-81.62110.2G312 H313 Y314R308-G312 PolarHBondContact NH1-O 2.67Å; R308-H313 VanDerWaalsContact CA-O 3.27Å; R308-H313 WeakPolarHBondContact CA-O 3.33Å; R308-Y314 VanDerWaalsContact NH1-CE1 3.31Å; R308-Y314 VanDerWaalsContact NH1-CZ 3.25Å; R308-Y314 PolarHBondContact NH1-OH 3.45Å; R308-Y314 PolarHBondContact NH2-OH 2.89Å
309D89.8Confident92.8Very high43 Ų4363.9 Ų63.923%0.2339%0.385CS..  trans-81.4176.8158.472.3-11.9000110.1T311 G312 H313 L315D309-T311 VanDerWaalsContact CG-OG1 3.24Å; D309-T311 PolarHBondContact O-N 3.14Å; D309-T311 VanDerWaalsContact O-N 3.14Å; D309-T311 VanDerWaalsContact OD1-C 3.23Å; D309-T311 WeakPolarHBondContact OD1-CA 3.48Å; D309-T311 WeakPolarHBondContact OD1-CB 3.37Å; D309-T311 PolarHBondContact OD1-N 2.75Å; D309-T311 PolarHBondContact OD1-OG1 3.29Å; D309-T311 WeakPolarHBondContact OD2-CB 3.4Å; D309-T311 PolarHBondContact OD2-OG1 3.16Å; D309-G312 PolarHBondContact O-N 2.93Å; D309-G312 VanDerWaalsContact O-N 3.08Å; D309-G312 PolarHBondContact OD1-N 3.26Å; D309-H313 PolarHBondContact N-O 3.08Å; D309-H313 WeakPolarHBondContact OD1-CB 3.43Å; D309-H313 IonicContact OD1-CG 3.39Å; D309-H313 PolarHBondContact OD1-N 3.03Å; D309-H313 IonicContact OD1-ND1 3.86Å; D309-H313 PolarHBondContact OD1-ND1 3.45Å; D309-H313 IonicContact OD2-CE1 3.45Å; D309-H313 IonicContact OD2-CG 3.19Å; D309-H313 IonicContact OD2-ND1 2.75Å; D309-H313 PolarHBondContact OD2-ND1 2.91Å; D309-L315 HydrophobicContact CB-CD1 4.17Å
310G89.2Confident93.1Very high97 Ų9763.4 Ų63.4100%138%0.379SS*.THydrogen-bonded Turntrans-64.3-11.3173.900000114.1
311T91.4Very high93.3Very high108 Ų10865.7 Ų65.766%0.66339%0.387SS*.THydrogen-bonded Turntrans-94.8-0.2176.2-12.60000112.8D309 H313D309-T311 VanDerWaalsContact CG-OG1 3.24Å; D309-T311 PolarHBondContact O-N 3.14Å; D309-T311 VanDerWaalsContact O-N 3.14Å; D309-T311 VanDerWaalsContact OD1-C 3.23Å; D309-T311 WeakPolarHBondContact OD1-CA 3.48Å; D309-T311 WeakPolarHBondContact OD1-CB 3.37Å; D309-T311 PolarHBondContact OD1-N 2.75Å; D309-T311 PolarHBondContact OD1-OG1 3.29Å; D309-T311 WeakPolarHBondContact OD2-CB 3.4Å; D309-T311 PolarHBondContact OD2-OG1 3.16Å; T311-H313 WeakPolarHBondContact CB-ND1 3.39Å; T311-H313 PolarHBondContact O-N 3.24Å
312G90.6Very high93.4Very high33 Ų3364 Ų6434%0.3437%0.37SS..  trans83.5-4.5-17900000116.4R308 D309R308-G312 PolarHBondContact NH1-O 2.67Å; D309-G312 PolarHBondContact O-N 2.93Å; D309-G312 VanDerWaalsContact O-N 3.08Å; D309-G312 PolarHBondContact OD1-N 3.26Å
313H93.3Very high93.5Very high89 Ų8964 Ų6441%0.41236%0.355SS..  trans-62.6142.6179.7-61.3114.7000112.4V296 R308 D309 T311 L315V296-H313 HydrophobicContact CG1-CB 4.03Å; V296-H313 HydrophobicContact CG2-CB 3.9Å; R308-H313 VanDerWaalsContact CA-O 3.27Å; R308-H313 WeakPolarHBondContact CA-O 3.33Å; D309-H313 PolarHBondContact N-O 3.08Å; D309-H313 WeakPolarHBondContact OD1-CB 3.43Å; D309-H313 IonicContact OD1-CG 3.39Å; D309-H313 PolarHBondContact OD1-N 3.03Å; D309-H313 IonicContact OD1-ND1 3.86Å; D309-H313 PolarHBondContact OD1-ND1 3.45Å; D309-H313 IonicContact OD2-CE1 3.45Å; D309-H313 IonicContact OD2-CG 3.19Å; D309-H313 IonicContact OD2-ND1 2.75Å; D309-H313 PolarHBondContact OD2-ND1 2.91Å; T311-H313 WeakPolarHBondContact CB-ND1 3.39Å; T311-H313 PolarHBondContact O-N 3.24Å; H313-L315 PolarHBondContact O-N 2.91Å
314Y94.6Very high93.5Very high77 Ų7771.2 Ų71.230%0.30238%0.384SS..EExtended strand (participates in β ladder)trans-73.6124.9175.4-63.5-76.4000112.3R293 C295 V296 R308R293-Y314 HydrophobicContact CG-CD1 4.36Å; R293-Y314 HydrophobicContact CG-CD2 4.31Å; R293-Y314 HydrophobicContact CG-CE1 4.38Å; R293-Y314 HydrophobicContact CG-CE2 4.33Å; R293-Y314 HydrophobicContact CG-CG 4.33Å; C295-Y314 WeakPolarHBondContact CA-O 3.47Å; V296-Y314 PolarHBondContact N-O 3.48Å; R308-Y314 VanDerWaalsContact NH1-CE1 3.31Å; R308-Y314 VanDerWaalsContact NH1-CZ 3.25Å; R308-Y314 PolarHBondContact NH1-OH 3.45Å; R308-Y314 PolarHBondContact NH2-OH 2.89Å
315L94.6Very high93.3Very high10 Ų1072.5 Ų72.55%0.05238%0.381CS..EExtended strand (participates in β ladder)trans-119.4142.1170.5-68174.6000110V296 N297 R307 D309 H313 C319V296-L315 HydrophobicContact CG2-CD2 3.68Å; V296-L315 HydrophobicContact CG2-CG 4.5Å; N297-L315 HydrophobicContact CB-CD2 3.9Å; R307-L315 HydrophobicContact CB-CB 4.45Å; R307-L315 PolarHBondContact N-O 3Å; R307-L315 PolarHBondContact O-N 3.26Å; D309-L315 HydrophobicContact CB-CD1 4.17Å; H313-L315 PolarHBondContact O-N 2.91Å; L315-C319 HydrophobicContact CD2-CB 4.23Å
316C95.8Very high93.3Very high8 Ų871.9 Ų71.95%0.05438%0.378CS..EExtended strand (participates in β ladder)trans-72.9157.6167.973.40000110.7C295 C298 A300 T303 A318 C319 G320C295-C316 HydrophobicContact CB-CB 3.91Å; C295-C316 PolarHBondContact SG-N 2.98Å; C298-C316 PolarHBondContact SG-SG 3.32Å; A300-C316 HydrophobicContact CB-CB 4.22Å; T303-C316 HydrophobicContact CG2-CB 4.09Å; T303-C316 WeakPolarHBondContact OG1-CB 3.32Å; C316-A318 VanDerWaalsContact C-N 3.28Å; C316-A318 PolarHBondContact O-N 3.38Å; C316-A318 VanDerWaalsContact O-N 3.14Å; C316-C319 PolarHBondContact O-N 3.22Å; C316-C319 PolarHBondContact SG-SG 2.88Å; C316-G320 PolarHBondContact O-N 3.14Å
317N95.8Very high93Very high39 Ų3971.1 Ų71.121%0.20939%0.393CS..Hα-helixtrans-48.4-48.8-174.6-168.730.6000112.7T303 P304 L305 R307 C319 G320 L321T303-N317 PolarHBondContact OG1-N 2.84Å; P304-N317 HydrophobicContact CG-CB 4.42Å; L305-N317 HydrophobicContact CB-CB 4.12Å; L305-N317 WeakPolarHBondContact O-CA 3.3Å; L305-N317 WeakPolarHBondContact O-CB 3.32Å; L305-N317 PolarHBondContact O-N 3.01Å; R307-N317 VanDerWaalsContact CZ-OD1 3.31Å; R307-N317 PolarHBondContact NE-OD1 3.45Å; R307-N317 PolarHBondContact NH2-OD1 2.97Å; N317-C319 PolarHBondContact O-N 3.37Å; N317-G320 PolarHBondContact O-N 3.3Å; N317-L321 WeakPolarHBondContact O-CB 3.32Å; N317-L321 VanDerWaalsContact O-CG 3.3Å; N317-L321 WeakPolarHBondContact O-CG 3.42Å; N317-L321 PolarHBondContact O-N 3.4Å; N317-L321 WeakPolarHBondContact OD1-CD1 3.27Å
318A94.1Very high92.8Very high47 Ų4773.4 Ų73.439%0.38841%0.408SS..Hα-helixtrans-65-32.4-179.500000114C316 Y322C316-A318 VanDerWaalsContact C-N 3.28Å; C316-A318 PolarHBondContact O-N 3.38Å; C316-A318 VanDerWaalsContact O-N 3.14Å; A318-Y322 VanDerWaalsContact O-CB 3.32Å; A318-Y322 WeakPolarHBondContact O-CB 3.43Å; A318-Y322 PolarHBondContact O-N 3.27Å
319C94.4Very high92.4Very high2 Ų271.8 Ų71.81%0.01441%0.41CS..Hα-helixtrans-81.1-38177.6-650000111.8N297 C298 L315 C316 N317 H323N297-C319 HydrophobicContact CB-CB 4.1Å; N297-C319 PolarHBondContact OD1-SG 2.84Å; C298-C319 VanDerWaalsContact SG-SG 3.62Å; L315-C319 HydrophobicContact CD2-CB 4.23Å; C316-C319 PolarHBondContact O-N 3.22Å; C316-C319 PolarHBondContact SG-SG 2.88Å; N317-C319 PolarHBondContact O-N 3.37Å; C319-H323 WeakPolarHBondContact O-CB 3.35Å; C319-H323 PolarHBondContact O-N 2.94Å
320G94.8Very high92.3Very high10 Ų1075 Ų7510%0.10342%0.419CS..Hα-helixtrans-69.3-37.6175.900000113.1C316 N317 K324C316-G320 PolarHBondContact O-N 3.14Å; N317-G320 PolarHBondContact O-N 3.3Å; G320-K324 WeakPolarHBondContact O-CB 3.41Å; G320-K324 PolarHBondContact O-N 2.94Å
321L94.1Very high92.1Very high82 Ų8274.2 Ų74.243%0.42940%0.396SS..Hα-helixtrans-64.3-48.3172.5-74.6170.9000111.5N317 H323 K324 M325N317-L321 WeakPolarHBondContact O-CB 3.32Å; N317-L321 VanDerWaalsContact O-CG 3.3Å; N317-L321 WeakPolarHBondContact O-CG 3.42Å; N317-L321 PolarHBondContact O-N 3.4Å; N317-L321 WeakPolarHBondContact OD1-CD1 3.27Å; L321-H323 PolarHBondContact O-N 3.42Å; L321-K324 PolarHBondContact O-N 3.41Å; L321-M325 WeakPolarHBondContact O-CB 3.42Å; L321-M325 PolarHBondContact O-N 2.82Å
322Y94.3Very high91.6Very high66 Ų6671.9 Ų71.926%0.25938%0.379SS..Hα-helixtrans-60-44.5176.6-170.2-82.4000111.8A318 K324 M325 N326 Q328 R330 P331A318-Y322 VanDerWaalsContact O-CB 3.32Å; A318-Y322 WeakPolarHBondContact O-CB 3.43Å; A318-Y322 PolarHBondContact O-N 3.27Å; Y322-K324 VanDerWaalsContact C-N 3.34Å; Y322-K324 PolarHBondContact O-N 3.14Å; Y322-M325 PolarHBondContact O-N 2.93Å; Y322-N326 HydrophobicContact CD1-CB 4.15Å; Y322-N326 WeakPolarHBondContact CD2-OD1 3.42Å; Y322-N326 HydrophobicContact CE1-CB 3.8Å; Y322-N326 WeakPolarHBondContact CE2-OD1 3.49Å; Y322-N326 WeakPolarHBondContact O-CB 3.48Å; Y322-N326 PolarHBondContact O-N 2.97Å; Y322-N326 PolarHBondContact O-OD1 3.07Å; Y322-Q328 WeakPolarHBondContact CD1-O 3.42Å; Y322-R330 HydrophobicContact CD1-CB 3.73Å; Y322-R330 HydrophobicContact CD1-CG 4.13Å; Y322-R330 HydrophobicContact CD2-CG 4.04Å; Y322-R330 HydrophobicContact CE1-CB 4.33Å; Y322-R330 HydrophobicContact CG-CB 3.84Å; Y322-R330 HydrophobicContact CG-CG 3.81Å; Y322-P331 VanDerWaalsContact CZ-CD 3.44Å; Y322-P331 WeakPolarHBondContact OH-CD 3.42Å
323H92.8Very high90.9Very high79 Ų7978.6 Ų78.637%0.36641%0.406SS..Hα-helixtrans-63.8-37.6177.1-169.7-74.9000112.5C319 L321 G327 Q328C319-H323 WeakPolarHBondContact O-CB 3.35Å; C319-H323 PolarHBondContact O-N 2.94Å; L321-H323 PolarHBondContact O-N 3.42Å; H323-G327 WeakPolarHBondContact O-CA 3.48Å; H323-G327 PolarHBondContact O-N 3.18Å; H323-G327 VanDerWaalsContact O-N 3.11Å; H323-Q328 WeakPolarHBondContact CA-O 3.2Å
324K92.3Very high89.8Confident187 Ų18783 Ų8381%0.81342%0.423SS*.Hα-helixtrans-67.8-38.6176.1-163.7-171179.9-166.80112.2G320 L321 Y322G320-K324 WeakPolarHBondContact O-CB 3.41Å; G320-K324 PolarHBondContact O-N 2.94Å; L321-K324 PolarHBondContact O-N 3.41Å; Y322-K324 VanDerWaalsContact C-N 3.34Å; Y322-K324 PolarHBondContact O-N 3.14Å
325M89Confident88.2Confident154 Ų15484.6 Ų84.676%0.75944%0.444SS*.Hα-helixtrans-84.7-36.3-174.4-170.51697100113.6L321 Y322L321-M325 WeakPolarHBondContact O-CB 3.42Å; L321-M325 PolarHBondContact O-N 2.82Å; Y322-M325 PolarHBondContact O-N 2.93Å
326N92.8Very high86.7Confident72 Ų7287.3 Ų87.339%0.38546%0.455SS..Hα-helixtrans-108.3-4.4-173.2-60.597.1000113.7Y322 Q328Y322-N326 HydrophobicContact CD1-CB 4.15Å; Y322-N326 WeakPolarHBondContact CD2-OD1 3.42Å; Y322-N326 HydrophobicContact CE1-CB 3.8Å; Y322-N326 WeakPolarHBondContact CE2-OD1 3.49Å; Y322-N326 WeakPolarHBondContact O-CB 3.48Å; Y322-N326 PolarHBondContact O-N 2.97Å; Y322-N326 PolarHBondContact O-OD1 3.07Å; N326-Q328 PolarHBondContact O-N 2.94Å
327G89.4Confident84.9Confident59 Ų5997 Ų9761%0.60849%0.49SS*.SBendtrans62.313-177.300000114.7H323H323-G327 WeakPolarHBondContact O-CA 3.48Å; H323-G327 PolarHBondContact O-N 3.18Å; H323-G327 VanDerWaalsContact O-N 3.11Å
328Q90Very high83.1Confident135 Ų135102.3 Ų102.363%0.63151%0.508SS*.SBendtrans-138.1162.3-170.7-67.9-168.418.700112.3Y322 H323 N326Y322-Q328 WeakPolarHBondContact CD1-O 3.42Å; H323-Q328 WeakPolarHBondContact CA-O 3.2Å; N326-Q328 PolarHBondContact O-N 2.94Å
329N87.7Confident81.4Confident110 Ų110106.7 Ų106.759%0.58852%0.524SS*.PPolyproline II helixtrans-67.4132.7173.4-88-57000111.1N297N297-N329 WeakPolarHBondContact ND2-CB 3.32Å; N297-N329 PolarHBondContact ND2-OD1 2.89Å
330R87.9Confident79.5Confident110 Ų110108.8 Ų108.842%0.41554%0.538SS..PPolyproline II helixtrans-57.5125.4178.2-168.2172.2-174.1-104.52.6110.8N297 Y322 L332N297-R330 PolarHBondContact ND2-N 3.3Å; Y322-R330 HydrophobicContact CD1-CB 3.73Å; Y322-R330 HydrophobicContact CD1-CG 4.13Å; Y322-R330 HydrophobicContact CD2-CG 4.04Å; Y322-R330 HydrophobicContact CE1-CB 4.33Å; Y322-R330 HydrophobicContact CG-CB 3.84Å; Y322-R330 HydrophobicContact CG-CG 3.81Å; R330-L332 VanDerWaalsContact O-CD1 3.32Å; R330-L332 WeakPolarHBondContact O-CD1 3.36Å; R330-L332 PolarHBondContact O-N 2.95Å
331P84.1Confident77.7Confident82 Ų82111 Ų11153%0.53256%0.555SS.*PPolyproline II helixtrans-69.6130.7176.727.1-33000110.2Y322Y322-P331 VanDerWaalsContact CZ-CD 3.44Å; Y322-P331 WeakPolarHBondContact OH-CD 3.42Å
332L81Confident75.9Confident59 Ų59107.9 Ų107.931%0.30954%0.542SS..  trans-96.797.5180-97.272.7000110.5N297 C298 R330 K334 K336N297-L332 WeakPolarHBondContact OD1-CD1 3.38Å; C298-L332 HydrophobicContact CB-CD1 4Å; C298-L332 HydrophobicContact CB-CD2 4.09Å; C298-L332 HydrophobicContact CB-CG 4.44Å; R330-L332 VanDerWaalsContact O-CD1 3.32Å; R330-L332 WeakPolarHBondContact O-CD1 3.36Å; R330-L332 PolarHBondContact O-N 2.95Å; L332-K334 CarbonylContact O-C 3.5Å; L332-K334 PolarHBondContact O-N 3.47Å; L332-K336 HydrophobicContact CD2-CB 3.75Å; L332-K336 HydrophobicContact CD2-CG 4.49Å
333I75.6Confident74.1Confident173 Ų173114.7 Ų114.789%0.88757%0.567SS**SBendtrans-53.9-34.5178.8-59170000112
334K70.8Confident72.7Confident181 Ų181118.1 Ų118.179%0.78758%0.577SS**SBendtrans-103.3119.4166.2-139.680.1172.1-174.30107.9L332 K336L332-K334 CarbonylContact O-C 3.5Å; L332-K334 PolarHBondContact O-N 3.47Å; K334-K336 PolarHBondContact O-N 3.02Å
335P61.9Low71.5Confident112 Ų112114.2 Ų114.273%0.72758%0.579SS**  trans-52.5129.7175.6-28.735.7000111.2R337P335-R337 PolarHBondContact O-N 3.29Å
336K61.9Low71.2Confident67 Ų67111 Ų11129%0.29159%0.585SS.*  trans-51.497.8-175.8179.4171.9154.174.40110.5E294 G299 L332 K334 R338E294-K336 IonicContact OE2-NZ 2.67Å; E294-K336 PolarHBondContact OE2-NZ 3.06Å; G299-K336 VanDerWaalsContact N-NZ 3.16Å; L332-K336 HydrophobicContact CD2-CB 3.75Å; L332-K336 HydrophobicContact CD2-CG 4.49Å; K334-K336 PolarHBondContact O-N 3.02Å; K336-R338 HydrophobicContact CD-CG 4.18Å; K336-R338 HydrophobicContact CG-CG 3.89Å; K336-R338 PolarHBondContact O-N 3.16Å
337R58.7Low71.2Confident211 Ų211109 Ų10980%0.79658%0.576SS**  trans-62.185.7157.6-89.8-17366.1105.4-4.8106.6P335 L339P335-R337 PolarHBondContact O-N 3.29Å; R337-L339 VanDerWaalsContact C-N 3.33Å; R337-L339 PolarHBondContact O-N 3.43Å
338R57.8Low71.5Confident151 Ų151109.1 Ų109.157%0.5757%0.567SS**  trans-58.9107.4158.2-68.9-163.584.2-166.17.8105.6E294 K336 S340E294-R338 IonicContact OE1-CZ 3.9Å; E294-R338 IonicContact OE1-NE 2.86Å; E294-R338 IonicContact OE1-NH2 3.45Å; E294-R338 PolarHBondContact OE1-NH2 3.31Å; K336-R338 HydrophobicContact CD-CG 4.18Å; K336-R338 HydrophobicContact CG-CG 3.89Å; K336-R338 PolarHBondContact O-N 3.16Å; R338-S340 PolarHBondContact O-N 3.15Å
339L57.9Low71.8Confident139 Ų139102.7 Ų102.773%0.72854%0.537SS*.  trans-6864.7151.9-67.6163000106.6R337R337-L339 VanDerWaalsContact C-N 3.33Å; R337-L339 PolarHBondContact O-N 3.43Å
340S55.5Low72.2Confident45 Ų45100.1 Ų100.132%0.31553%0.531SS..  trans-65.4167.3174.7520000109.2R338 A342R338-S340 PolarHBondContact O-N 3.15Å; S340-A342 PolarHBondContact O-N 2.89Å
341A56Low72.6Confident56 Ų5696.4 Ų96.446%0.46352%0.519SS..G310 helixtrans-65.224.7174.800000114.5R343 R344 W360A341-R343 PolarHBondContact O-N 3.32Å; A341-R344 HydrophobicContact CB-CG 4.19Å; A341-R344 PolarHBondContact O-N 2.89Å; A341-W360 PolarHBondContact O-NE1 2.95Å; A341-W360 VanDerWaalsContact O-NE1 3.08Å
342A56.8Low73.2Confident18 Ų1892.7 Ų92.715%0.14950%0.495CS..G310 helixtrans-61.8-20.4164.900000112.8S340 T357S340-A342 PolarHBondContact O-N 2.89Å; A342-T357 WeakPolarHBondContact CA-O 3.39Å; A342-T357 WeakPolarHBondContact CB-O 3.17Å
343R56.3Low73.9Confident208 Ų20895.3 Ų95.379%0.78551%0.506SS*.G310 helixtrans-117.960.6169.1-59.8-162.6-53.1-1756111.4A341 A345A341-R343 PolarHBondContact O-N 3.32Å; R343-A345 PolarHBondContact O-N 2.77Å
344R63.5Low74.7Confident151 Ų15188.5 Ų88.557%0.5747%0.472SS*.  trans-68.3119152.2-68-176.7-162.3-147.84.6106.1A341 G346 T347A341-R344 HydrophobicContact CB-CG 4.19Å; A341-R344 PolarHBondContact O-N 2.89Å; R344-G346 PolarHBondContact O-N 3.03Å; R344-T347 VanDerWaalsContact CB-OG1 3.22Å; R344-T347 WeakPolarHBondContact CB-OG1 3.37Å; R344-T347 PolarHBondContact O-N 2.67Å
345A67.8Low75.8Confident105 Ų10583.8 Ų83.887%0.86846%0.459SS*.THydrogen-bonded Turntrans-55.7138.9177.600000110R343 T347R343-A345 PolarHBondContact O-N 2.77Å; A345-T347 PolarHBondContact O-N 2.96Å; A345-T347 VanDerWaalsContact O-N 3.16Å
346G82.8Confident77.2Confident86 Ų8681.1 Ų81.189%0.88744%0.44SS*.THydrogen-bonded Turntrans71.5-4.8-179.900000117.2R344 C348R344-G346 PolarHBondContact O-N 3.03Å; G346-C348 PolarHBondContact O-N 2.77Å
347T92.3Very high78.6Confident32 Ų3278.4 Ų78.420%0.19643%0.429CS..  trans-84.3116.5178.1-48.10000111.3R344 A345 W360 P368R344-T347 VanDerWaalsContact CB-OG1 3.22Å; R344-T347 WeakPolarHBondContact CB-OG1 3.37Å; R344-T347 PolarHBondContact O-N 2.67Å; A345-T347 PolarHBondContact O-N 2.96Å; A345-T347 VanDerWaalsContact O-N 3.16Å; T347-W360 HydrophobicContact CG2-CD2 3.8Å; T347-W360 HydrophobicContact CG2-CE3 3.88Å; T347-W360 HydrophobicContact CG2-CH2 3.75Å; T347-W360 HydrophobicContact CG2-CZ2 3.64Å; T347-W360 HydrophobicContact CG2-CZ3 3.86Å; T347-W360 WeakPolarHBondContact O-CH2 3.46Å; T347-W360 WeakPolarHBondContact O-CZ2 3.49Å; T347-P368 HydrophobicContact CG2-CB 3.8Å; T347-P368 HydrophobicContact CG2-CG 4.29Å
348C94.4Very high80.1Confident60 Ų6072.7 Ų72.741%0.40542%0.418SS..  trans-114.4165.5171.767.20000111.1G346 T355 W360 P368G346-C348 PolarHBondContact O-N 2.77Å; C348-T355 HydrophobicContact CB-CG2 4.2Å; C348-W360 WeakPolarHBondContact O-CZ3 3.48Å; C348-P368 WeakPolarHBondContact O-CG 3.12Å
349C96.3Very high81.7Confident1 Ų169.7 Ų69.71%0.00741%0.413CS..  trans-87.6118.8174.5178.70000110.9N351 C352 Q353 T354 W360 P368 C370C349-N351 PolarHBondContact O-N 3.45Å; C349-C352 PolarHBondContact O-N 3.36Å; C349-Q353 VanDerWaalsContact O-CA 3.25Å; C349-Q353 WeakPolarHBondContact O-CA 3.41Å; C349-Q353 PolarHBondContact O-N 3.31Å; C349-T354 WeakPolarHBondContact CB-O 3.28Å; C349-T354 PolarHBondContact N-O 3.47Å; C349-T354 VanDerWaalsContact N-O 3.12Å; C349-W360 HydrophobicContact CB-CZ3 4.29Å; C349-P368 WeakPolarHBondContact CA-O 3.43Å; C349-C370 HydrophobicContact CB-CB 3.97Å; C349-C370 PolarHBondContact SG-N 2.76Å
350A96.8Very high83.5Confident56 Ų5664.8 Ų64.846%0.46339%0.385SS..THydrogen-bonded Turntrans-53.9-30.8-179.900000114.2D367 P368 V369A350-D367 HydrophobicContact CB-CB 3.95Å; A350-P368 PolarHBondContact N-O 3.14Å; A350-V369 HydrophobicContact CB-CG1 4.26Å
351N96.8Very high85.4Confident31 Ų3166.7 Ų66.717%0.16639%0.385CS..THydrogen-bonded Turntrans-92.2-24-178172.8-135.8000115.2C349 C373 N383 R384 L386C349-N351 PolarHBondContact O-N 3.45Å; N351-C373 HydrophobicContact CB-CB 4.25Å; N351-C373 WeakPolarHBondContact OD1-CB 3.37Å; N351-C373 PolarHBondContact OD1-SG 3.47Å; N351-N383 PolarHBondContact ND2-ND2 3.46Å; N351-R384 WeakPolarHBondContact OD1-CB 3.48Å; N351-R384 PolarHBondContact OD1-N 3.39Å; N351-L386 WeakPolarHBondContact O-CD2 3.18Å
352C96.3Very high87.3Confident5 Ų573.1 Ų73.13%0.03440%0.397CS..THydrogen-bonded Turntrans-141.210.4-174.278.20000115.4C349 T354 L386 K389C349-C352 PolarHBondContact O-N 3.36Å; C352-T354 PolarHBondContact O-N 2.81Å; C352-T354 PolarHBondContact O-OG1 3.28Å; C352-T354 PolarHBondContact SG-OG1 3.33Å; C352-L386 HydrophobicContact CB-CD2 4Å; C352-K389 WeakPolarHBondContact O-CE 3.22Å; C352-K389 PolarHBondContact O-NZ 3.26Å
353Q95.3Very high89.2Confident114 Ų11474.7 Ų74.753%0.53340%0.403SS..  trans57-7.4179.8-54.478.824.400116C349 T355C349-Q353 VanDerWaalsContact O-CA 3.25Å; C349-Q353 WeakPolarHBondContact O-CA 3.41Å; C349-Q353 PolarHBondContact O-N 3.31Å; Q353-T355 PolarHBondContact O-N 3.38Å
354T93.4Very high91Very high29 Ų2969.3 Ų69.318%0.17840%0.404CS..  trans-53.9120.9179-59.60000111.6C349 C352 T356 W360C349-T354 WeakPolarHBondContact CB-O 3.28Å; C349-T354 PolarHBondContact N-O 3.47Å; C349-T354 VanDerWaalsContact N-O 3.12Å; C352-T354 PolarHBondContact O-N 2.81Å; C352-T354 PolarHBondContact O-OG1 3.28Å; C352-T354 PolarHBondContact SG-OG1 3.33Å; T354-T356 WeakPolarHBondContact CG2-O 3.47Å; T354-W360 WeakPolarHBondContact O-CH2 3.5Å
355T93Very high92.5Very high82 Ų8268.7 Ų68.750%0.50341%0.411SS..  trans-85.4-13177.452.20000113.4C348 Q353 W360C348-T355 HydrophobicContact CB-CG2 4.2Å; Q353-T355 PolarHBondContact O-N 3.38Å; T355-W360 WeakPolarHBondContact O-CZ2 3.45Å
356T91.1Very high93.7Very high56 Ų5664.9 Ų64.934%0.34438%0.382SS..  trans-113.9117.8-17655.70000111.5T354T354-T356 WeakPolarHBondContact CG2-O 3.47Å
357T92.2Very high94.3Very high10 Ų1064 Ų646%0.06136%0.358CS..  trans-147.1154.4178.1-161.40000113.7A342 L359 W360 C370 N371A342-T357 WeakPolarHBondContact CA-O 3.39Å; A342-T357 WeakPolarHBondContact CB-O 3.17Å; T357-L359 VanDerWaalsContact C-N 3.34Å; T357-L359 WeakPolarHBondContact CG2-O 3.45Å; T357-W360 HydrophobicContact CG2-CD2 3.49Å; T357-W360 VanDerWaalsContact CG2-CD2 3.49Å; T357-W360 HydrophobicContact CG2-CE3 3.86Å; T357-W360 HydrophobicContact CG2-CG 3.84Å; T357-W360 HydrophobicContact CG2-CH2 4.3Å; T357-W360 HydrophobicContact CG2-CZ2 3.99Å; T357-W360 HydrophobicContact CG2-CZ3 4.25Å; T357-C370 HydrophobicContact CG2-CB 4.28Å; T357-C370 WeakPolarHBondContact OG1-CB 3.46Å; T357-N371 PolarHBondContact OG1-N 3.17Å; T357-N371 VanDerWaalsContact OG1-N 3.15Å
358T90.6Very high94.5Very high91 Ų9164.8 Ų64.856%0.55836%0.363SS*.SBendtrans-73.2-26.9178.5520000113I393T358-I393 HydrophobicContact CG2-CG2 3.7Å
359L92Very high94.6Very high89 Ų8962.3 Ų62.347%0.46635%0.346SS..SBendtrans-154124.9175.917462.9000109.4T357 R361 N371T357-L359 VanDerWaalsContact C-N 3.34Å; T357-L359 WeakPolarHBondContact CG2-O 3.45Å; L359-R361 HydrophobicContact CG-CG 4.47Å; L359-N371 HydrophobicContact CB-CB 4.14Å; L359-N371 WeakPolarHBondContact O-CA 3.42Å; L359-N371 WeakPolarHBondContact O-CB 3.35Å; L359-N371 PolarHBondContact O-N 3.49Å
360W94.5Very high94.6Very high36 Ų3662.6 Ų62.614%0.13635%0.348CS..EExtended strand (participates in β ladder)trans-76.3137.7167.6-70.4107.9000110.1A341 T347 C348 C349 T354 T355 T357 P368A341-W360 PolarHBondContact O-NE1 2.95Å; A341-W360 VanDerWaalsContact O-NE1 3.08Å; T347-W360 HydrophobicContact CG2-CD2 3.8Å; T347-W360 HydrophobicContact CG2-CE3 3.88Å; T347-W360 HydrophobicContact CG2-CH2 3.75Å; T347-W360 HydrophobicContact CG2-CZ2 3.64Å; T347-W360 HydrophobicContact CG2-CZ3 3.86Å; T347-W360 WeakPolarHBondContact O-CH2 3.46Å; T347-W360 WeakPolarHBondContact O-CZ2 3.49Å; C348-W360 WeakPolarHBondContact O-CZ3 3.48Å; C349-W360 HydrophobicContact CB-CZ3 4.29Å; T354-W360 WeakPolarHBondContact O-CH2 3.5Å; T355-W360 WeakPolarHBondContact O-CZ2 3.45Å; T357-W360 HydrophobicContact CG2-CD2 3.49Å; T357-W360 VanDerWaalsContact CG2-CD2 3.49Å; T357-W360 HydrophobicContact CG2-CE3 3.86Å; T357-W360 HydrophobicContact CG2-CG 3.84Å; T357-W360 HydrophobicContact CG2-CH2 4.3Å; T357-W360 HydrophobicContact CG2-CZ2 3.99Å; T357-W360 HydrophobicContact CG2-CZ3 4.25Å; W360-P368 HydrophobicContact CE3-CB 4.22Å; W360-P368 HydrophobicContact CZ3-CB 4.41Å
361R95.7Very high94.6Very high84 Ų8461.6 Ų61.632%0.31734%0.335SS..EExtended strand (participates in β ladder)trans-123.7173.9174.4-65179.6178.2-82.9-3.6109L359 V369 N371L359-R361 HydrophobicContact CG-CG 4.47Å; R361-V369 HydrophobicContact CB-CG2 3.91Å; R361-V369 PolarHBondContact N-O 3.25Å; R361-V369 PolarHBondContact O-N 2.94Å; R361-N371 PolarHBondContact NE-OD1 3.04Å; R361-N371 PolarHBondContact NH2-OD1 2.86Å
362R96.3Very high94.7Very high191 Ų19162.3 Ų62.372%0.72135%0.345SS*.EExtended strand (participates in β ladder)trans-111.6150165.9-63-175.3-176.8-87.210.4110.4G366 D367R362-G366 VanDerWaalsContact CD-O 3.29Å; R362-G366 WeakPolarHBondContact CD-O 3.48Å; R362-G366 WeakPolarHBondContact CG-O 3.35Å; R362-G366 PolarHBondContact NH1-O 2.84Å; R362-D367 VanDerWaalsContact CA-O 3.23Å; R362-D367 WeakPolarHBondContact CA-O 3.35Å
363N95.2Very high94.7Very high51 Ų5162.2 Ų62.227%0.27334%0.344SS..  trans-80.7-172.6162.866.5-1.9000110.1N365 G366 D367 V369N363-N365 VanDerWaalsContact C-N 3.3Å; N363-N365 PolarHBondContact ND2-OD1 2.95Å; N363-N365 PolarHBondContact O-N 2.77Å; N363-N365 PolarHBondContact OD1-N 2.73Å; N363-N365 VanDerWaalsContact OD1-N 3.17Å; N363-G366 PolarHBondContact O-N 3.15Å; N363-G366 PolarHBondContact OD1-N 3.05Å; N363-D367 PolarHBondContact N-O 3.36Å; N363-D367 PolarHBondContact ND2-OD2 3.12Å; N363-D367 PolarHBondContact OD1-N 3.15Å; N363-D367 PolarHBondContact OD1-OD2 3.19Å; N363-V369 HydrophobicContact CB-CG1 4.18Å
364A95Very high94.8Very high96 Ų9657.5 Ų57.579%0.79333%0.327SS*.THydrogen-bonded Turntrans-63.8-35.6175.700000112.6G366A364-G366 PolarHBondContact O-N 2.89Å
365N94.1Very high95Very high137 Ų13760 Ų6073%0.73334%0.338SS*.THydrogen-bonded Turntrans-72.1-12.9178.8-46.964.5000113.4N363 D367N363-N365 VanDerWaalsContact C-N 3.3Å; N363-N365 PolarHBondContact ND2-OD1 2.95Å; N363-N365 PolarHBondContact O-N 2.77Å; N363-N365 PolarHBondContact OD1-N 2.73Å; N363-N365 VanDerWaalsContact OD1-N 3.17Å; N365-D367 WeakPolarHBondContact CB-OD2 3.33Å
366G94.4Very high95.2Very high25 Ų2558.4 Ų58.426%0.25832%0.324SS..  trans97.8-10-178.200000115.3R362 N363 A364R362-G366 VanDerWaalsContact CD-O 3.29Å; R362-G366 WeakPolarHBondContact CD-O 3.48Å; R362-G366 WeakPolarHBondContact CG-O 3.35Å; R362-G366 PolarHBondContact NH1-O 2.84Å; N363-G366 PolarHBondContact O-N 3.15Å; N363-G366 PolarHBondContact OD1-N 3.05Å; A364-G366 PolarHBondContact O-N 2.89Å
367D95Very high95.6Very high68 Ų6860.9 Ų60.936%0.36433%0.328SS..  trans-62.7147.7-176.4-52.4-54.4000113.7A350 R362 N363 N365 V369A350-D367 HydrophobicContact CB-CB 3.95Å; R362-D367 VanDerWaalsContact CA-O 3.23Å; R362-D367 WeakPolarHBondContact CA-O 3.35Å; N363-D367 PolarHBondContact N-O 3.36Å; N363-D367 PolarHBondContact ND2-OD2 3.12Å; N363-D367 PolarHBondContact OD1-N 3.15Å; N363-D367 PolarHBondContact OD1-OD2 3.19Å; N365-D367 WeakPolarHBondContact CB-OD2 3.33Å; D367-V369 PolarHBondContact O-N 3.2Å
368P96.2Very high95.8Very high49 Ų4968.4 Ų68.432%0.31836%0.359SS..EExtended strand (participates in β ladder)trans-64.7123.8173.128-34.4000111.9T347 C348 C349 A350 W360T347-P368 HydrophobicContact CG2-CB 3.8Å; T347-P368 HydrophobicContact CG2-CG 4.29Å; C348-P368 WeakPolarHBondContact O-CG 3.12Å; C349-P368 WeakPolarHBondContact CA-O 3.43Å; A350-P368 PolarHBondContact N-O 3.14Å; W360-P368 HydrophobicContact CE3-CB 4.22Å; W360-P368 HydrophobicContact CZ3-CB 4.41Å
369V96.9Very high96.1Very high8 Ų870.1 Ų70.15%0.04837%0.365CS..EExtended strand (participates in β ladder)trans-127.3148170.9-60.10000111.4A350 R361 N363 D367A350-V369 HydrophobicContact CB-CG1 4.26Å; R361-V369 HydrophobicContact CB-CG2 3.91Å; R361-V369 PolarHBondContact N-O 3.25Å; R361-V369 PolarHBondContact O-N 2.94Å; N363-V369 HydrophobicContact CB-CG1 4.18Å; D367-V369 PolarHBondContact O-N 3.2Å
370C96.7Very high96.4Very high7 Ų770.4 Ų70.45%0.04736%0.363CS..EExtended strand (participates in β ladder)trans-72.4158.8179.585.70000111.3C349 T357 A372 C373 G374C349-C370 HydrophobicContact CB-CB 3.97Å; C349-C370 PolarHBondContact SG-N 2.76Å; T357-C370 HydrophobicContact CG2-CB 4.28Å; T357-C370 WeakPolarHBondContact OG1-CB 3.46Å; C370-A372 PolarHBondContact O-N 3.34Å; C370-A372 VanDerWaalsContact O-N 3.12Å; C370-C373 PolarHBondContact O-N 3.43Å; C370-C373 VanDerWaalsContact O-N 3.15Å; C370-C373 PolarHBondContact SG-SG 2.77Å; C370-G374 PolarHBondContact O-N 2.87Å
371N97.1Very high96.5Very high34 Ų3474.5 Ų74.518%0.18239%0.388CS..Hα-helixtrans-55.3-35.6-177.1-175.661.7000113.5T357 L359 R361 L375T357-N371 PolarHBondContact OG1-N 3.17Å; T357-N371 VanDerWaalsContact OG1-N 3.15Å; L359-N371 HydrophobicContact CB-CB 4.14Å; L359-N371 WeakPolarHBondContact O-CA 3.42Å; L359-N371 WeakPolarHBondContact O-CB 3.35Å; L359-N371 PolarHBondContact O-N 3.49Å; R361-N371 PolarHBondContact NE-OD1 3.04Å; R361-N371 PolarHBondContact NH2-OD1 2.86Å; N371-L375 WeakPolarHBondContact ND2-CD1 3.49Å; N371-L375 VanDerWaalsContact O-CB 3.32Å; N371-L375 WeakPolarHBondContact O-CB 3.32Å; N371-L375 WeakPolarHBondContact O-CD1 3.23Å; N371-L375 WeakPolarHBondContact O-CG 3.29Å; N371-L375 PolarHBondContact O-N 2.78Å; N371-L375 VanDerWaalsContact O-N 3.15Å
372A97.1Very high96.5Very high46 Ų4674.4 Ų74.438%0.3840%0.396SS..Hα-helixtrans-70-42.9-179.600000112.4C370 Y376C370-A372 PolarHBondContact O-N 3.34Å; C370-A372 VanDerWaalsContact O-N 3.12Å; A372-Y376 WeakPolarHBondContact O-CB 3.39Å; A372-Y376 PolarHBondContact O-N 3.17Å
373C97.6Very high96.6Very high3 Ų370.3 Ų70.32%0.0239%0.389CS..Hα-helixtrans-70.1-45.7179.5-60.60000111.4N351 C370 L375 Y376 Y377 R384N351-C373 HydrophobicContact CB-CB 4.25Å; N351-C373 WeakPolarHBondContact OD1-CB 3.37Å; N351-C373 PolarHBondContact OD1-SG 3.47Å; C370-C373 PolarHBondContact O-N 3.43Å; C370-C373 VanDerWaalsContact O-N 3.15Å; C370-C373 PolarHBondContact SG-SG 2.77Å; C373-L375 VanDerWaalsContact C-N 3.27Å; C373-L375 PolarHBondContact O-N 3.31Å; C373-Y376 PolarHBondContact O-N 3.45Å; C373-Y377 WeakPolarHBondContact O-CB 3.46Å; C373-Y377 PolarHBondContact O-N 3.42Å; C373-R384 HydrophobicContact CB-CB 4.39Å
374G97.3Very high96.7Very high16 Ų1670 Ų7017%0.16538%0.384CS..Hα-helixtrans-69.6-18.8178.600000114.9C370 K378C370-G374 PolarHBondContact O-N 2.87Å; G374-K378 WeakPolarHBondContact O-CB 3.49Å
375L97.3Very high96.8Very high80 Ų8067.8 Ų67.842%0.41936%0.361SS..Hα-helixtrans-84-40.8168.9-75.1173.9000112N371 C373 K378 L379N371-L375 WeakPolarHBondContact ND2-CD1 3.49Å; N371-L375 VanDerWaalsContact O-CB 3.32Å; N371-L375 WeakPolarHBondContact O-CB 3.32Å; N371-L375 WeakPolarHBondContact O-CD1 3.23Å; N371-L375 WeakPolarHBondContact O-CG 3.29Å; N371-L375 PolarHBondContact O-N 2.78Å; N371-L375 VanDerWaalsContact O-N 3.15Å; C373-L375 VanDerWaalsContact C-N 3.27Å; C373-L375 PolarHBondContact O-N 3.31Å; L375-K378 PolarHBondContact O-N 3.32Å; L375-L379 PolarHBondContact O-N 2.94Å; L375-L379 VanDerWaalsContact O-N 3.16Å
376Y98Very high96.8Very high50 Ų5066 Ų6620%0.19635%0.351CS..Hα-helixtrans-63-48.3178.2-174.7-86.8000111.7A372 C373 K378 L379 H380 V382 N383 R384 M388A372-Y376 WeakPolarHBondContact O-CB 3.39Å; A372-Y376 PolarHBondContact O-N 3.17Å; C373-Y376 PolarHBondContact O-N 3.45Å; Y376-K378 VanDerWaalsContact C-N 3.25Å; Y376-K378 PolarHBondContact O-N 2.91Å; Y376-L379 PolarHBondContact O-N 3.25Å; Y376-H380 AromaticContact CD2-CD2 3.49Å; Y376-H380 VanDerWaalsContact CD2-CD2 3.49Å; Y376-H380 WeakPolarHBondContact CD2-CD2 3.49Å; Y376-H380 AromaticContact CD2-NE2 3.92Å; Y376-H380 HydrophobicContact CE1-CB 4.29Å; Y376-H380 AromaticContact CE2-CD2 3.42Å; Y376-H380 VanDerWaalsContact CE2-CD2 3.42Å; Y376-H380 WeakPolarHBondContact CE2-CD2 3.32Å; Y376-H380 AromaticContact CE2-NE2 3.77Å; Y376-H380 AromaticContact CG-CD2 3.84Å; Y376-H380 AromaticContact CZ-CD2 3.71Å; Y376-H380 PolarHBondContact O-CD2 2.73Å; Y376-H380 PolarHBondContact O-N 3.49Å; Y376-V382 WeakPolarHBondContact CD1-O 3.1Å; Y376-V382 HydrophobicContact CE1-CG2 4.12Å; Y376-N383 WeakPolarHBondContact CE1-O 3.44Å; Y376-R384 VanDerWaalsContact CD1-CA 3.41Å; Y376-R384 HydrophobicContact CD1-CB 3.66Å; Y376-R384 HydrophobicContact CD1-CG 3.95Å; Y376-R384 HydrophobicContact CD2-CG 4.09Å; Y376-R384 HydrophobicContact CE1-CB 4.28Å; Y376-R384 HydrophobicContact CE1-CG 4.46Å; Y376-R384 HydrophobicContact CG-CB 3.88Å; Y376-R384 HydrophobicContact CG-CG 3.73Å; Y376-M388 HydrophobicContact CE2-SD 3.89Å
377Y97.6Very high96.9Very high108 Ų10871.1 Ų71.142%0.42438%0.378SS..Hα-helixtrans-61-33.9176.6-170.4-86.5000112.4C373 L379 N381 V382C373-Y377 WeakPolarHBondContact O-CB 3.46Å; C373-Y377 PolarHBondContact O-N 3.42Å; Y377-L379 VanDerWaalsContact C-N 3.31Å; Y377-L379 PolarHBondContact O-N 3.29Å; Y377-N381 WeakPolarHBondContact CE2-O 3.4Å; Y377-N381 WeakPolarHBondContact O-CA 3.34Å; Y377-N381 PolarHBondContact O-N 3.08Å; Y377-V382 WeakPolarHBondContact CA-O 3.15Å; Y377-V382 WeakPolarHBondContact CD2-O 3.43Å
378K96.8Very high96.8Very high167 Ų16772.4 Ų72.473%0.72638%0.383SS*.Hα-helixtrans-71.1-23.5175.2172.7162.1-72.2-142.90113.5G374 L375 Y376G374-K378 WeakPolarHBondContact O-CB 3.49Å; L375-K378 PolarHBondContact O-N 3.32Å; Y376-K378 VanDerWaalsContact C-N 3.25Å; Y376-K378 PolarHBondContact O-N 2.91Å
379L97.6Very high96.7Very high128 Ų12873.7 Ų73.767%0.6738%0.383SS*.Hα-helixtrans-96.4-29.8-177.9-17759.9000113.2L375 Y376 Y377L375-L379 PolarHBondContact O-N 2.94Å; L375-L379 VanDerWaalsContact O-N 3.16Å; Y376-L379 PolarHBondContact O-N 3.25Å; Y377-L379 VanDerWaalsContact C-N 3.31Å; Y377-L379 PolarHBondContact O-N 3.29Å
380H97.6Very high96.5Very high95 Ų9580.1 Ų80.144%0.4441%0.411SS..Hα-helixtrans-121.7-2.4-173.3-56.4-70.9000113.9Y376 V382Y376-H380 AromaticContact CD2-CD2 3.49Å; Y376-H380 VanDerWaalsContact CD2-CD2 3.49Å; Y376-H380 WeakPolarHBondContact CD2-CD2 3.49Å; Y376-H380 AromaticContact CD2-NE2 3.92Å; Y376-H380 HydrophobicContact CE1-CB 4.29Å; Y376-H380 AromaticContact CE2-CD2 3.42Å; Y376-H380 VanDerWaalsContact CE2-CD2 3.42Å; Y376-H380 WeakPolarHBondContact CE2-CD2 3.32Å; Y376-H380 AromaticContact CE2-NE2 3.77Å; Y376-H380 AromaticContact CG-CD2 3.84Å; Y376-H380 AromaticContact CZ-CD2 3.71Å; Y376-H380 PolarHBondContact O-CD2 2.73Å; Y376-H380 PolarHBondContact O-N 3.49Å; H380-V382 HydrophobicContact CB-CG2 3.97Å; H380-V382 PolarHBondContact O-N 3.21Å
381N96.9Very high96Very high122 Ų12287.3 Ų87.365%0.65244%0.443SS*.SBendtrans56.84.1-175.7-70.365.2000116.2Y377Y377-N381 WeakPolarHBondContact CE2-O 3.4Å; Y377-N381 WeakPolarHBondContact O-CA 3.34Å; Y377-N381 PolarHBondContact O-N 3.08Å
382V96.9Very high95.5Very high82 Ų8287.8 Ų87.850%0.49746%0.457SS..SBendtrans-118.4156.7178.2-62.80000112Y376 Y377 H380Y376-V382 WeakPolarHBondContact CD1-O 3.1Å; Y376-V382 HydrophobicContact CE1-CG2 4.12Å; Y377-V382 WeakPolarHBondContact CA-O 3.15Å; Y377-V382 WeakPolarHBondContact CD2-O 3.43Å; H380-V382 HydrophobicContact CB-CG2 3.97Å; H380-V382 PolarHBondContact O-N 3.21Å
383N96.6Very high95.1Very high105 Ų10589.7 Ų89.756%0.56146%0.459SS*.PPolyproline II helixtrans-61.1145.1178.5-76.870.8000112.1N351 Y376 P385N351-N383 PolarHBondContact ND2-ND2 3.46Å; Y376-N383 WeakPolarHBondContact CE1-O 3.44Å; N383-P385 WeakPolarHBondContact O-CD 3.5Å
384R97.5Very high94.7Very high45 Ų4595.5 Ų95.517%0.1749%0.486CS..PPolyproline II helixtrans-71.7122.8-178.8-168176.5-177.9-79.70.2110N351 C373 Y376 M388N351-R384 WeakPolarHBondContact OD1-CB 3.48Å; N351-R384 PolarHBondContact OD1-N 3.39Å; C373-R384 HydrophobicContact CB-CB 4.39Å; Y376-R384 VanDerWaalsContact CD1-CA 3.41Å; Y376-R384 HydrophobicContact CD1-CB 3.66Å; Y376-R384 HydrophobicContact CD1-CG 3.95Å; Y376-R384 HydrophobicContact CD2-CG 4.09Å; Y376-R384 HydrophobicContact CE1-CB 4.28Å; Y376-R384 HydrophobicContact CE1-CG 4.46Å; Y376-R384 HydrophobicContact CG-CB 3.88Å; Y376-R384 HydrophobicContact CG-CG 3.73Å; R384-M388 VanDerWaalsContact CZ-O 3.27Å; R384-M388 PolarHBondContact NH1-O 3.31Å; R384-M388 PolarHBondContact NH2-O 2.87Å
385P96.9Very high94.1Very high48 Ų48101.3 Ų101.331%0.31252%0.519SS..PPolyproline II helixtrans-66.9140.8-178.926.5-33.8000110.8N383 T387 M388N383-P385 WeakPolarHBondContact O-CD 3.5Å; P385-T387 PolarHBondContact O-N 2.7Å; P385-M388 HydrophobicContact CG-CG 3.96Å; P385-M388 HydrophobicContact CG-SD 3.8Å; P385-M388 PolarHBondContact O-N 3.17Å; P385-M388 VanDerWaalsContact O-N 3.11Å
386L95.8Very high93.5Very high100 Ų100107.7 Ų107.752%0.52454%0.537SS..G310 helixtrans-66.7-25.3-176.1-64.4-179.9000112.6N351 C352 M388 K389N351-L386 WeakPolarHBondContact O-CD2 3.18Å; C352-L386 HydrophobicContact CB-CD2 4Å; L386-M388 PolarHBondContact O-N 3.11Å; L386-M388 VanDerWaalsContact O-N 3.17Å; L386-K389 WeakPolarHBondContact O-CB 3.25Å; L386-K389 PolarHBondContact O-N 3.37Å
387T95.3Very high92.5Very high133 Ų133113.2 Ų113.282%0.81657%0.57SS**G310 helixtrans-57.1-26.1171.853.40000113.4P385P385-T387 PolarHBondContact O-N 2.7Å
388M93.9Very high91.6Very high95 Ų95119.3 Ų119.347%0.46859%0.592SS.*G310 helixtrans-87.9-1.8174.5-60.6-178.588.300113.2Y376 R384 P385 L386Y376-M388 HydrophobicContact CE2-SD 3.89Å; R384-M388 VanDerWaalsContact CZ-O 3.27Å; R384-M388 PolarHBondContact NH1-O 3.31Å; R384-M388 PolarHBondContact NH2-O 2.87Å; P385-M388 HydrophobicContact CG-CG 3.96Å; P385-M388 HydrophobicContact CG-SD 3.8Å; P385-M388 PolarHBondContact O-N 3.17Å; P385-M388 VanDerWaalsContact O-N 3.11Å; L386-M388 PolarHBondContact O-N 3.11Å; L386-M388 VanDerWaalsContact O-N 3.17Å
389K93Very high90.7Very high75 Ų75121 Ų12133%0.32660%0.6SS.*  trans-64.4135.4177-177.1177.1169.9174.40108.8C352 L386C352-K389 WeakPolarHBondContact O-CE 3.22Å; C352-K389 PolarHBondContact O-NZ 3.26Å; L386-K389 WeakPolarHBondContact O-CB 3.25Å; L386-K389 PolarHBondContact O-N 3.37Å
390K92.4Very high89.1Confident144 Ų144121.4 Ų121.463%0.62660%0.6SS**  trans-124.5134.1171.1-171.4166.5-172.2159.80108.5Q394K390-Q394 HydrophobicContact CD-CG 4.29Å
391E86.8Confident87.1Confident157 Ų157121.1 Ų121.173%0.73461%0.608SS**SBendtrans-68.3-37.4-172.1-157.152.3-141.200112.6
392G86.7Confident85.4Confident45 Ų45120.2 Ų120.246%0.46460%0.604SS.*SBendtrans-90.2132.9174.700000113.8Q394G392-Q394 PolarHBondContact O-N 3.41Å; G392-Q394 VanDerWaalsContact O-N 3.14Å
393I89.4Confident83.6Confident85 Ų85124.5 Ų124.544%0.43662%0.616SS.*  trans-64.1111.1164.7-60.5178.3000108.7T358 T395T358-I393 HydrophobicContact CG2-CG2 3.7Å; I393-T395 PolarHBondContact O-N 2.71Å
394Q87.8Confident81.7Confident126 Ų126124.6 Ų124.659%0.58963%0.625SS**  trans-66.4125.9173.8-61.1-173.417.300110.8K390 G392K390-Q394 HydrophobicContact CD-CG 4.29Å; G392-Q394 PolarHBondContact O-N 3.41Å; G392-Q394 VanDerWaalsContact O-N 3.14Å
395T84.6Confident79.7Confident137 Ų137130.8 Ų130.884%0.8465%0.653SS**  trans-82.1141166.350.50000109.7I393I393-T395 PolarHBondContact O-N 2.71Å
396R84.4Confident77.5Confident214 Ų214136.4 Ų136.481%0.80867%0.672SS**  trans-120.2133168.2-76.5-176.2168.9-171.9-5.4108.1R398R396-R398 PolarHBondContact O-N 3.05Å; R396-R398 VanDerWaalsContact O-N 3.14Å
397N78.2Confident75.1Confident167 Ų167137 Ų13789%0.89369%0.685SS**  trans-64.6116.8177.8-169.95.1000109.5K399N397-K399 PolarHBondContact O-N 2.8Å
398R77.6Confident73.1Confident235 Ų235140.5 Ų140.589%0.88769%0.689SS**  trans-87.294.5179.7-78.4-176.6137-160.1-6109R396 M400R396-R398 PolarHBondContact O-N 3.05Å; R396-R398 VanDerWaalsContact O-N 3.14Å; R398-M400 PolarHBondContact O-N 3.22Å; R398-M400 VanDerWaalsContact O-N 3.16Å
399K78.4Confident71Confident203 Ų203144 Ų14488%0.88370%0.701SS**PPolyproline II helixtrans-50.5122.2160.539.3-176167.9-174.60108.7N397N397-K399 PolarHBondContact O-N 2.8Å
400M65.1Low68.6Low136 Ų136143.1 Ų143.167%0.6771%0.713SS**PPolyproline II helixtrans-63.7143.9-177.164.573.868.400109.6R398R398-M400 PolarHBondContact O-N 3.22Å; R398-M400 VanDerWaalsContact O-N 3.16Å
401S54.9Low66.8Low89 Ų89139.8 Ų139.862%0.62271%0.713SS**PPolyproline II helixtrans-90.2121.2179.1-172.80000109.3K403S401-K403 PolarHBondContact O-N 3.26Å
402N60.8Low64.9Low103 Ų103140 Ų14055%0.55171%0.714SS**G310 helixtrans-69.210.4177-83.2-48.9000114.3S404 K405N402-S404 PolarHBondContact O-N 3.12Å; N402-K405 PolarHBondContact O-N 3.46Å
403K60Low63.1Low173 Ų173142.5 Ų142.575%0.75272%0.723SS**G310 helixtrans-49-33.7-177.4-167.870.9171.5178.40113.1S401 K405S401-K403 PolarHBondContact O-N 3.26Å; K403-K405 VanDerWaalsContact C-N 3.3Å; K403-K405 PolarHBondContact O-N 3.16Å
404S56.5Low61.1Low107 Ų107145.7 Ų145.775%0.74873%0.734SS**G310 helixtrans-63.4-24179.4-47.80000115.2N402N402-S404 PolarHBondContact O-N 3.12Å
405K54.8Low59.4Low175 Ų175146.8 Ų146.876%0.76174%0.739SS**G310 helixtrans-81.7-20.1-174.9-76.2-169.5174.8-175.40114.9N402 K403N402-K405 PolarHBondContact O-N 3.46Å; K403-K405 VanDerWaalsContact C-N 3.3Å; K403-K405 PolarHBondContact O-N 3.16Å
406K50.2Low57.7Low166 Ų166147.9 Ų147.972%0.72274%0.735SS**G310 helixtrans-80.5-18-177.6-171.863.4174176.40113.2K408 K409K406-K408 VanDerWaalsContact C-N 3.28Å; K406-K408 PolarHBondContact O-N 3.45Å; K406-K409 PolarHBondContact O-N 3.43Å
407S47.1Very low56.1Low112 Ų112143.8 Ų143.878%0.78373%0.728SS**G310 helixtrans-73.8-7.3-173.3-158.60000115.8
408K52.8Low55.2Low207 Ų207139 Ų13990%0.971%0.708SS**G310 helixtrans-105.19.6177.4-171.1159.5-179.9174.40113.6K406K406-K408 VanDerWaalsContact C-N 3.28Å; K406-K408 PolarHBondContact O-N 3.45Å
409K48.4Very low53.9Low168 Ų168135 Ų13573%0.7370%0.697SS**SBendtrans-133.750.1175.8-152.5-178.1-173.3-172.50111.6K406K406-K409 PolarHBondContact O-N 3.43Å
410G43.9Very low52.4Low56 Ų56129.6 Ų129.658%0.57768%0.684SS**  trans-139.811.4-17700000114.9
411A53.8Low51.7Low75 Ų75130.9 Ų130.962%0.6269%0.69SS**SBendtrans-82-44.216700000110.1C413A411-C413 PolarHBondContact O-N 2.93Å
412E47.6Very low51.5Low161 Ų161135 Ų13575%0.75270%0.699SS**THydrogen-bonded Turntrans-62.523.5174.6-27-53.7104.700116.2
413C48.9Very low50.5Low97 Ų97138.1 Ų138.166%0.65571%0.71SS**THydrogen-bonded Turntrans-145.137.9-177.5-161.20000111.7A411A411-C413 PolarHBondContact O-N 2.93Å
414F47.1Very low49.8Very low153 Ų153139.5 Ų139.567%0.67172%0.716SS**SBendtrans-124.2-35.7172.6-171.6-107.6000111.7E416 L417 S418F414-E416 PolarHBondContact O-N 2.87Å; F414-L417 PolarHBondContact O-N 2.96Å; F414-S418 PolarHBondContact O-OG 2.67Å
415E52.1Low48.9Very low148 Ų148139.8 Ų139.869%0.69272%0.719SS**Hα-helixtrans-65.7-35.3-179-162.2175.2119.700113.7L417 S418E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 2.78Å; E415-S418 PolarHBondContact O-N 3.2Å
416E50Low48.8Very low161 Ų161136.8 Ų136.875%0.75272%0.719SS**Hα-helixtrans-70.9-29-177.6-161.1168.6-156.800112.7F414F414-E416 PolarHBondContact O-N 2.87Å
417L50.7Low49Very low128 Ų128134.1 Ų134.167%0.6772%0.719SS**Hα-helixtrans-74.4-33.8175.6-172.662.7000111.9F414 E415 K419 C420F414-L417 PolarHBondContact O-N 2.96Å; E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 2.78Å; L417-K419 PolarHBondContact O-N 2.78Å; L417-C420 WeakPolarHBondContact O-CB 3.48Å; L417-C420 PolarHBondContact O-N 2.69Å
418S59.4Low48.4Very low67 Ų67138.2 Ų138.247%0.46972%0.723SS.*Hα-helixtrans-66.1-35.3-179.9-59.80000113F414 E415 C420 M421F414-S418 PolarHBondContact O-OG 2.67Å; E415-S418 PolarHBondContact O-N 3.2Å; S418-C420 VanDerWaalsContact C-N 3.28Å; S418-C420 PolarHBondContact O-N 2.73Å; S418-M421 PolarHBondContact O-N 2.84Å
419K49.5Very low47.7Very low151 Ų151132.9 Ų132.966%0.65771%0.712SS**Hα-helixtrans-67.1-25.3177.6-84.5176.2174164.10113.9L417 M421L417-K419 PolarHBondContact O-N 2.78Å; K419-M421 VanDerWaalsContact C-N 3.28Å; K419-M421 PolarHBondContact O-N 2.77Å
420C47.2Very low47.2Very low89 Ų89129.9 Ų129.960%0.60172%0.719SS**THydrogen-bonded Turntrans-66.4-26.6-179.2-172.80000113.4L417 S418L417-C420 WeakPolarHBondContact O-CB 3.48Å; L417-C420 PolarHBondContact O-N 2.69Å; S418-C420 VanDerWaalsContact C-N 3.28Å; S418-C420 PolarHBondContact O-N 2.73Å
421M49.8Very low46.8Very low163 Ų163132 Ų13280%0.80373%0.73SS**THydrogen-bonded Turntrans-93.30.9-170.7-64.5-83.174.600115S418 K419S418-M421 PolarHBondContact O-N 2.84Å; K419-M421 VanDerWaalsContact C-N 3.28Å; K419-M421 PolarHBondContact O-N 2.77Å
422Q51.5Low45.9Very low174 Ų174132.9 Ų132.981%0.81374%0.738SS**SBendtrans-111.3-3.5-171.6-155.9160.123.900114.4
423E39.3Very low45.6Very low169 Ų169133 Ų13379%0.7974%0.743SS**SBendtrans-110.549.8-169.4-142.6-86.9110.900112.8
424K44.6Very low45.1Very low202 Ų202133.2 Ų133.288%0.87875%0.752SS**  trans-158.569.7159.1-142.9147.5-166.1162.70116.1
425S38.9Very low44.4Very low114 Ų114129 Ų12980%0.79775%0.751SS**  trans-72.7154.1150.943.10000110.6
426S53.1Low44.2Very low111 Ų111129.9 Ų129.978%0.77676%0.755SS**  trans-76157.2-177178.10000112.7
427P53.5Low43.6Very low111 Ų111130.6 Ų130.672%0.72176%0.761SS**  -135.2140.2125.136.5-27.2000114.9
428F34.6Very low43Very low197 Ų197128.7 Ų128.786%0.86476%0.764SS**  trans52.2144.3146.9-100.4-124.1000120.9
429S38.2Very low43Very low95 Ų95130.6 Ų130.666%0.66477%0.774SS**  cis-167.2169.4-18.5-107.20000109.1
430A38.4Very low42.5Very low105 Ų105130.4 Ų130.487%0.86879%0.786SS**  trans-96.2147.7-168.400000116
431A35.2Very low41.8Very low100 Ų100129.7 Ų129.783%0.82679%0.793SS**  trans-164.4160.2155.800000111.7
432A34.6Very low41.2Very low95 Ų95131.1 Ų131.179%0.78580%0.797SS**  trans69.9136176.200000118.3
433L41.3Very low40.5Very low164 Ų164129.8 Ų129.886%0.85980%0.795SS**  cis171.1118.6-46.4-94.9165.7000108.5
434A37.7Very low41.1Very low101 Ų101127.2 Ų127.284%0.83579%0.793SS**  trans58.6146148.700000123.9
435G32.1Very low42Very low64 Ų64122.1 Ų122.166%0.6678%0.781SS**  trans118.580.216600000115.1
436H49.3Very low41.8Very low166 Ų166126.4 Ų126.477%0.76979%0.785SS**  62.1134.578.4-63.3-68.7000114.4
437M36.3Very low41Very low176 Ų176125.3 Ų125.387%0.86778%0.778SS**  cis-137.5177.929-73.8-69.9176.700115.2
438A38.9Very low40.3Very low89 Ų89129.1 Ų129.174%0.73679%0.785SS**  trans-93.9-161.5-173.300000113.2
439P59.6Low40.6Very low107 Ų107125.6 Ų125.670%0.69579%0.786SS**  cis-145-172.20.943.4-21.9000118.3
440V39.6Very low40.4Very low147 Ų147124.2 Ų124.289%0.89179%0.786SS**  trans58.8144.7162.8-58.70000121.3
441G31.5Very low40.6Very low74 Ų74128.6 Ų128.676%0.76379%0.788SS**  cis170.7164.8-10.400000116.5
442H37.4Very low40.8Very low192 Ų192130.9 Ų130.989%0.88979%0.785SS**  trans78.7161163.9-115.8-86.2000123.5
443L36.7Very low41.7Very low146 Ų146134.4 Ų134.476%0.76479%0.79SS**  trans-134.6173.2-163.7-75.8174.7000110.6
444P52.6Low41.8Very low115 Ų115132.4 Ų132.475%0.74779%0.787SS**  cis-130.8-113-18.128.4-1.5000114.4
445P63.3Low42Very low96 Ų96134.1 Ų134.162%0.62379%0.787SS**  trans-122.6-177.3-14540.4-18.9000115.8
446F33.7Very low43.3Very low203 Ų203136.3 Ų136.389%0.8979%0.789SS**  179169.5128.5-96.7-60.7000112.9
447S36.3Very low43Very low88 Ų88134.4 Ų134.462%0.61579%0.79SS**  trans-74156.3-172.3-52.80000114.9
448H38.7Very low43.9Very low191 Ų191131.1 Ų131.188%0.88478%0.781SS**  -177.516598.9-93.4-67.5000113.6
449S41.4Very low43.7Very low124 Ų124134.4 Ų134.487%0.86779%0.785SS**  trans-78.3151-173.8-46.20000113.7
450G34.1Very low42.9Very low66 Ų66137.4 Ų137.468%0.6879%0.789SS**  trans156.467.2162.300000116.9I452G450-I452 PolarHBondContact O-N 2.87Å
451H41.7Very low43.5Very low197 Ų197135.8 Ų135.891%0.91278%0.782SS**  trans-77.387.8171.5-117.7-60.5000111.2
452I40.3Very low43.9Very low148 Ų148137 Ų13776%0.75978%0.779SS**  trans-103.4141163.852.2173.8000109.5G450G450-I452 PolarHBondContact O-N 2.87Å
453L53.7Low44.1Very low169 Ų169132.9 Ų132.989%0.88577%0.771SS**  trans-95.6130.2180-74.8167.9000110.8
454P43.8Very low44.4Very low121 Ų121130.9 Ų130.979%0.78677%0.77SS**  trans-119.5117.2165.334.5-21.4000113
455T41.5Very low44Very low138 Ų138133.5 Ų133.585%0.84778%0.777SS**  trans-114.6166.2146.314.40000106.6
456P58.4Low43Very low109 Ų109133.7 Ų133.771%0.70878%0.78SS**  cis-136-144.97.642.4-23000113.3
457T43.7Very low43.2Very low126 Ų126134.7 Ų134.777%0.77379%0.785SS**  trans113.5161.1161.472.20000115.1
458P54.8Low43.2Very low107 Ų107133.8 Ų133.870%0.69579%0.789SS**  -135.7-170-75.639.7-22.2000113.4
459I36Very low43.4Very low159 Ų159133.9 Ų133.982%0.81579%0.789SS**  170.8147.1127.3-84.9154.7000110.7
460H41.1Very low44.1Very low169 Ų169133.7 Ų133.778%0.78279%0.785SS**  trans-120.7156.3177.5-100.7-81.6000110.4
461P52.6Low44.7Very low113 Ų113138.6 Ų138.673%0.73479%0.79SS**  -129.7153.991.47.715.7000112.6
462S40.3Very low45.5Very low100 Ų100134.9 Ų134.970%0.69978%0.784SS**  71.6131.762.3-47.90000112.8
463S42.5Very low45.8Very low105 Ų105133.2 Ų133.273%0.73479%0.785SS**  cis-153.3155.230.9-57.90000116.1
464S42.2Very low45.5Very low104 Ų104130 Ų13073%0.72778%0.776SS**  trans46.1126.1141.9630000123.4
465L43.3Very low45.7Very low170 Ų170132.2 Ų132.289%0.8978%0.778SS**  -164.9156.4108.1-102.8171.5000111.1
466S42.1Very low45.8Very low100 Ų100132.2 Ų132.270%0.69978%0.778SS**  trans-140.9131.3-164-53.40000114.5
467F39.6Very low45.2Very low225 Ų225132.7 Ų132.799%0.98778%0.779SS**  trans-161.1152.9157.4-83.4-75.1000107.7
468G35.5Very low45.4Very low68 Ų68130.7 Ų130.770%0.70178%0.775SS**  cis155.699.3-2.900000110.7
469H43Very low45.1Very low193 Ų193134.9 Ų134.989%0.89479%0.788SS**  trans-73.6155.9175.4-85.7-73.3000112.2
470P55.9Low45.7Very low120 Ų120134.5 Ų134.578%0.77982%0.824SS**  -136.1152.9123.637.3-27.9000115.1
471H47.4Very low46Very low170 Ų170132.8 Ų132.879%0.78783%0.826SS**  trans-91.6157.2160.7-126.8-96.7000108.9
472P57.4Low45.6Very low119 Ų119133.8 Ų133.877%0.77383%0.83SS**  trans-121.7144.215235.6-26.9000112.2
473S48.1Very low45.9Very low112 Ų112135.7 Ų135.778%0.78384%0.838SS**  trans-161.7107171.9-700000112.3
474S46.3Very low46.1Very low101 Ų101137.5 Ų137.571%0.70684%0.844SS**  trans-168.7116.6159.1-168.60000106
475M48.6Very low46.4Very low169 Ų169139.6 Ų139.683%0.83385%0.851SS**  55.9111.875.9-55.1-158.5-55.200114.4
476V43.3Very low46.6Very low137 Ų137137.6 Ų137.683%0.8385%0.848SS**  154.5154.4107.383.60000114.6
477T46.5Very low46.9Very low119 Ų119140.3 Ų140.373%0.7386%0.859SS**  trans67.698.8157.8-51.10000122.7
478A47.4Very low47.5Very low85 Ų85133.8 Ų133.870%0.70285%0.849SS**  33.8162.1116.600000125.5
479M47.8Very low48.5Very low194 Ų194139.3 Ų139.396%0.95686%0.862SS**  trans80.7133.6171.1-58.7-61.1-171.200117.2
480G50Low49Very low152 Ų152134.4 Ų134.4100%1.56786%0.859SS**  trans149.70-173.700000110.9

Retrieved 480 of 480 residues in 543.6 ms (Link to these results)