A0A096M4T1_POEFO Loading...

G protein-regulated inducer of neurite outgrowth C-terminal domain-containing protein

May be involved in neurite outgrowth.

AlphaFold DB , UniProt , Accession A0A096M4T1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 694 aa.

Structure Viewer
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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
1M49.1Very low41Very low245 Ų245156.5 Ų156.5100%1.20783%0.831SS**  0113.70-62.6-63.5-83.300106.6
2G43.4Very low40.5Very low83 Ų83160.1 Ų160.186%0.85683%0.825SS**  cis-118.3-176.1-11.500000111.5
3S39.6Very low40Very low106 Ų106162.5 Ų162.574%0.74183%0.83SS**  trans-122.9124.2170.7166.30000107.3
4L48.3Very low39.5Very low181 Ų181159.6 Ų159.695%0.94882%0.818SS**  trans-82.4128.2164.6-88.6161.2000108.2
5K49.2Very low39.2Very low158 Ų158165.9 Ų165.969%0.68783%0.827SS**  trans-119.1169.7172.5-71.6-178.3164.9-171.90108.4
6D36.2Very low39Very low142 Ų142167.3 Ų167.376%0.75983%0.83SS**  trans68.1157158.4-50.3-43.8000114.5
7E37Very low39.3Very low147 Ų147164.5 Ų164.569%0.68783%0.827SS**  cis-126.1160.7-4.7-164.1175.8118.900110R9E7-R9 IonicContact OE1-CZ 3.99Å; E7-R9 IonicContact OE1-NE 3.92Å; E7-R9 IonicContact OE1-NH2 3.13Å; E7-R9 PolarHBondContact OE1-NH2 2.7Å; E7-R9 VanDerWaalsContact OE1-NH2 3.13Å
8K41.7Very low38.8Very low201 Ų201162.7 Ų162.787%0.87483%0.831SS**  trans-120.8115.6177.441.3178.8169.7-178.90109.8
9R36.1Very low38.4Very low205 Ų205161.6 Ų161.677%0.77482%0.822SS**  trans-126.3100.4173.4-168.9167.7-61.2-145.71.4110.3E7E7-R9 IonicContact OE1-CZ 3.99Å; E7-R9 IonicContact OE1-NE 3.92Å; E7-R9 IonicContact OE1-NH2 3.13Å; E7-R9 PolarHBondContact OE1-NH2 2.7Å; E7-R9 VanDerWaalsContact OE1-NH2 3.13Å
10A35.5Very low38.3Very low95 Ų95160.8 Ų160.879%0.78581%0.812SS**  trans-76.2137.4165.800000109.2
11L34.4Very low38.2Very low158 Ų158160 Ų16083%0.82782%0.816SS**  trans-108.7108.5159.8-78.2168.9000107.8
12R35.7Very low37.6Very low200 Ų200154.4 Ų154.476%0.75579%0.791SS**  trans-81.2140.8148.9-78.5178.9167-96.50.9106.7D14R12-D14 IonicContact NH1-OD1 2.66Å
13E33.9Very low37.1Very low192 Ų192157.5 Ų157.590%0.89779%0.788SS**  trans-150.1115.4146-125163.3-171.900109.7
14D33.3Very low36.8Very low122 Ų122161.2 Ų161.265%0.65279%0.794SS**  trans-83.7134.2-175.5-48.6-92.3000110.6R12R12-D14 IonicContact NH1-OD1 2.66Å
15R34.9Very low36Very low253 Ų253155.4 Ų155.496%0.95578%0.778SS**  trans-138.7126150.3-72.2-159.8175.41782.2111.5
16Q35.7Very low35.4Very low188 Ų188155.8 Ų155.888%0.87979%0.786SS**  trans-80.9167.4177.4-103-173.7-42.800112.1
17P43.8Very low35.4Very low120 Ų120153.4 Ų153.478%0.77978%0.781SS**  trans-76.4172.7-173.833.4-37.8000113.2
18C29.8Very low35.2Very low133 Ų133154.8 Ų154.890%0.89979%0.788SS**  trans-120.9135.1170.9-148.90000110.2
19E31.8Very low34.7Very low142 Ų142149 Ų14966%0.66479%0.785SS**  trans-96.7171.9-177.4-68.4-176.189.700113.2
20K37.3Very low34.6Very low144 Ų144144.2 Ų144.263%0.62678%0.783SS**  trans71.9121.1147.2-78.1147.9178.8141.80118.6
21T34.8Very low34.7Very low145 Ų145146.3 Ų146.389%0.8978%0.781SS**  -145147.4104.9-1.20000110
22N36.8Very low34.7Very low128 Ų128143.8 Ų143.868%0.68478%0.777SS**  trans-94.2162.4178-57.3-29.1000110.4
23N33.7Very low34.7Very low148 Ų148140.3 Ų140.379%0.79178%0.783SS**  trans171.2117.4137.7-81.3-14.4000106.3
24E32.1Very low34.8Very low183 Ų183136 Ų13686%0.85578%0.781SS**  99.6129.653.6-175.6167.2-152.400111.6
25G33.5Very low34.8Very low60 Ų60135.2 Ų135.262%0.61979%0.79SS**  trans118103.7-163.300000110.1
26L36.3Very low34.9Very low165 Ų165127.6 Ų127.686%0.86478%0.782SS**  65.4127.760.2-55.1176.3000112.4
27S35Very low34.8Very low93 Ų93128.2 Ų128.265%0.6579%0.785SS**  cis-154.3-167.4-0.7-134.50000112
28E32.9Very low34.1Very low176 Ų176126 Ų12682%0.82278%0.784SS**  trans-59.5161.1-177.7-45.8101120.500115.1
29G30.9Very low34.5Very low80 Ų80130.5 Ų130.583%0.82578%0.782SS**  trans-175.3112.4168.400000113.4
30S35.5Very low35.2Very low104 Ų104129.3 Ų129.373%0.72779%0.786SS**  trans-97.5149.8-173.6-128.90000113.9
31D35.8Very low35.1Very low138 Ų138130 Ų13074%0.73880%0.796SS**  trans61.8120.2141.6-66.3-54.5000123.4
32S35.9Very low34.8Very low106 Ų106133 Ų13374%0.74179%0.791SS**  103.2151.4120.978.70000122.6
33S36.1Very low34.6Very low126 Ų126131.6 Ų131.688%0.88179%0.787SS**  trans77.3162.2162.9800000117.7
34A36.2Very low34.3Very low103 Ų103130.1 Ų130.185%0.85179%0.787SS**  trans-130.2151.5-15500000113.6
35A33Very low34.3Very low104 Ų104129.5 Ų129.586%0.8678%0.784SS**  trans-143146.2159.200000108.8
36A35.9Very low34Very low94 Ų94135.4 Ų135.478%0.77780%0.796SS**  trans-104.2148.5171.700000109.7
37E32.9Very low34.3Very low201 Ų201131.2 Ų131.294%0.93978%0.78SS**  trans170.6165.7136.3-98.5178.9-173.600112.1
38G29.9Very low34.2Very low73 Ų73132.7 Ų132.775%0.75379%0.785SS**  trans8680.4149.400000119.3
39R37.3Very low34.3Very low228 Ų228130.7 Ų130.786%0.8679%0.786SS**  trans-71.8148.1140.5-74.8-171.3175.8-154.10.3108.5
40P46.8Very low34.2Very low117 Ų117131.5 Ų131.576%0.7678%0.779SS**  -142.9154106.136.8-23.8000115
41L35.9Very low34Very low157 Ų157135.3 Ų135.382%0.82279%0.785SS**  trans-85.5154.2165.9-73.1161.6000110.5
42R28.2Very low33.9Very low209 Ų209135.8 Ų135.879%0.78979%0.787SS**  trans-149121.1-177.3-102.3-73.5-176.7160.8-1.4113.7
43T31.8Very low33.7Very low99 Ų99137 Ų13761%0.60780%0.795SS**  trans61.1155.8151.942.90000118.3
44C28.9Very low33.6Very low117 Ų117139.9 Ų139.979%0.79179%0.794SS**  cis-120.4160.49.3-53.70000110.1
45Q32Very low33.4Very low169 Ų169141 Ų14179%0.7980%0.796SS**  cis89.295.423.2-170-1756.900116.4
46E27.2Very low33.5Very low184 Ų184145.4 Ų145.486%0.8680%0.795SS**  trans174.3151.5144.6-106.9-152.19000109.8
47S41.4Very low33.4Very low77 Ų77149.5 Ų149.554%0.53880%0.803SS.*  cis-151.6166.4-6.8-24.10000112.4
48T32.8Very low33.3Very low124 Ų124147.2 Ų147.276%0.76179%0.792SS**  trans54.199.6150.454.80000124.1
49T35.2Very low33.4Very low135 Ų135150.2 Ų150.283%0.82879%0.789SS**  34.8124.5118.157.90000123
50S28.8Very low33.1Very low97 Ų97145.4 Ų145.468%0.67878%0.78SS**  -172.5144.7100.5-152.40000114.1
51E32.2Very low32.4Very low183 Ų183144.1 Ų144.186%0.85578%0.779SS**  trans57.9144.5155-74.4154.1126.500123.6
52D33.4Very low32.2Very low148 Ų148142.4 Ų142.479%0.79178%0.78SS**  trans-92.2151-174.7-74.3-78.3000114.2
53C31.7Very low32.5Very low133 Ų133137 Ų13790%0.89977%0.774SS**  -166.3132.6113.8-101.30000113
54Q34.6Very low32.6Very low185 Ų185139 Ų13986%0.86479%0.786SS**  trans-86.8150.6172.4-64.2-175.3-19.700112.1
55S31Very low32.7Very low127 Ų127136.5 Ų136.589%0.88878%0.78SS**  trans-149.5119.2133.360.60000111.4
56K35.2Very low32.7Very low196 Ų196135.2 Ų135.285%0.85278%0.779SS**  trans-136.4112.4171.1175.1-174.2176.5-179.10107.6
57L33.9Very low33.2Very low180 Ų180136.2 Ų136.294%0.94278%0.775SS**  trans-137.3161170.3-76.6179.4000111
58H30.4Very low32.8Very low153 Ų153138 Ų13871%0.70878%0.775SS**  trans-152.7171.4-168.5-168.6-80.5000108.2
59M33.2Very low32.9Very low137 Ų137140 Ų14068%0.67577%0.773SS**  trans99.496.7171.2-53.9-96.685.200117.2
60D30.9Very low33.1Very low127 Ų127139.6 Ų139.668%0.67977%0.77SS**  67.9121.6106-6518.8000123.9
61A32Very low33.2Very low90 Ų90143.2 Ų143.274%0.74478%0.781SS**  107.6149.8118.200000122.6
62S32.3Very low33.2Very low120 Ų120144.2 Ų144.284%0.83978%0.783SS**  trans80.3148165.587.30000116.9
63S33.4Very low33Very low96 Ų96142.5 Ų142.567%0.67178%0.782SS**  cis-168.9139.4-5.2129.50000113
64V35Very low32.9Very low140 Ų140145.9 Ų145.985%0.84878%0.782SS**  trans59.7150.4147.7-178.10000117.8
65G30.5Very low32.9Very low65 Ų65144.3 Ų144.367%0.6778%0.779SS**  cis177.6168.60.200000106.9
66N32.2Very low33.4Very low142 Ų142143.5 Ų143.576%0.75977%0.771SS**  cis-143.9161.325.8-91.8-52.8000109.5
67R36.5Very low33.2Very low205 Ų205141.8 Ų141.877%0.77477%0.766SS**  62.7137.860.6-107.9-162.8-171.1-141.817.8112
68E33.9Very low33.2Very low116 Ų116141.8 Ų141.854%0.54276%0.759SS.*  cis-135-165.76.8-52.5-165.9118.200109.4
69K34.9Very low33.3Very low165 Ų165140.4 Ų140.472%0.71777%0.765SS**  cis-159.8-167.85-145.8155.9-163.7153.30110.4
70T38.3Very low33Very low127 Ų127136.6 Ų136.678%0.77976%0.761SS**  trans-150.4145.1171.8-34.60000110.2
71L30.8Very low32.9Very low172 Ų172137.3 Ų137.390%0.90177%0.769SS**  trans-148.9158.3167.3-80.2-176.2000112.4
72K32.5Very low32.8Very low205 Ų205139.9 Ų139.989%0.89177%0.771SS**  trans-126.9148.7177-60.9177.5176.3-177.60110.5
73S30.7Very low32.8Very low112 Ų112139.7 Ų139.778%0.78377%0.769SS**  trans-175123.7146.353.20000116.1
74K29.4Very low32.7Very low203 Ų203144.6 Ų144.688%0.88378%0.778SS**  trans49.2134.2137.9-69.9-173.7171.2-174.80123.7
75D33.5Very low32.5Very low152 Ų152142.4 Ų142.481%0.81377%0.77SS**  trans-68.1166.9154.1-39.6-91.6000112.6
76P42.4Very low32.3Very low110 Ų110144.8 Ų144.871%0.71478%0.776SS**  -146167.275.739.8-22.4000116.8
77E30.9Very low32.3Very low161 Ų161146.3 Ų146.375%0.75278%0.778SS**  trans32158.1141-55.7179.8145.200121.9
78F34.1Very low32.6Very low180 Ų180142.7 Ų142.779%0.78978%0.782SS**  cis-162.9147.520.8-134.5-62.7000109.3
79C31.1Very low32.4Very low124 Ų124142.5 Ų142.584%0.83879%0.793SS**  trans-173144.5133-161.50000111
80G27Very low32Very low57 Ų57139.2 Ų139.259%0.58880%0.797SS**  trans-158.3155.8172.500000111.7
81V29.5Very low31.6Very low141 Ų141138.6 Ų138.686%0.85580%0.798SS**  trans-134.8143.9175.8-177.80000108.9
82N29.1Very low31.6Very low145 Ų145138.6 Ų138.678%0.77579%0.793SS**  trans-117.5154.4-162-47.3-54.7000112.9
83S33.1Very low32Very low116 Ų116134.3 Ų134.381%0.81179%0.786SS**  trans176.4130.6142.3-79.80000107.8
84K30.8Very low32Very low198 Ų198134.2 Ų134.286%0.86178%0.78SS**  cis60.4135.543.5-70.8-166.9175.7-175.90114.4
85S30.4Very low32.1Very low95 Ų95132.6 Ų132.666%0.66477%0.773SS**  cis-175.1159.9-16.646.70000110.1
86S28.1Very low31.8Very low115 Ų115131.2 Ų131.280%0.80477%0.766SS**  trans82.1139.6155.1-48.50000120.2
87E32.2Very low31Very low173 Ų173132.5 Ų132.581%0.80878%0.776SS**  trans-75.7177.4159.8-48.4173.3131.800110.7
88P41.9Very low30.9Very low130 Ų130128.9 Ų128.984%0.84477%0.774SS**  -147.6173.58538.7-20.6000116.3
89S29.3Very low30.9Very low112 Ų112128.5 Ų128.578%0.78377%0.774SS**  trans-87158.8-175.3-22.70000115.5
90A27.7Very low31Very low96 Ų96128.7 Ų128.779%0.79377%0.774SS**  trans168.2149.1142.500000110.4
91S28.9Very low30.9Very low114 Ų114129 Ų12980%0.79778%0.778SS**  cis-168149.9-16.950.70000109.2
92E31.6Very low30.7Very low171 Ų171129.6 Ų129.680%0.79978%0.776SS**  trans-71.4177.9171.2-51.2-172.5135.400112.7
93P41.3Very low30.5Very low116 Ų116130.5 Ų130.575%0.75378%0.778SS**  -150.1139.384.136.2-16.6000118.2
94V29.6Very low31.4Very low109 Ų109129.8 Ų129.866%0.66177%0.77SS**  trans71.5128.7132.1174.80000117.2
95K32.6Very low31Very low170 Ų170126.4 Ų126.474%0.73977%0.766SS**  -166141.367.9-154.6150.1-167172.70117.8
96D26Very low30.7Very low123 Ų123127.5 Ų127.566%0.65877%0.769SS**  trans19.1133.7149.9-40.6-30.1000119.7
97C26.4Very low30.5Very low137 Ų137129.1 Ų129.193%0.92677%0.767SS**  -157.7170.854.7-1170000114.4
98A27.6Very low30.2Very low85 Ų85129 Ų12970%0.70277%0.767SS**  trans-103.6150.1-168.600000114.5
99Q35.2Very low29.4Very low171 Ų171128.5 Ų128.580%0.79976%0.762SS**  53.4130.998.3-59.6-65.3-23.700115.5
100P32.7Very low29.2Very low129 Ų129129.6 Ų129.684%0.83876%0.763SS**  -134.8-172.766.442.2-27.8000113.3
101G24.2Very low29.1Very low64 Ų64128.7 Ų128.766%0.6676%0.756SS**  cis168.1175.5-3.100000111.5
102D25.4Very low28.9Very low153 Ų153129 Ų12982%0.81875%0.753SS**  trans-82149.7-165.7-49.2-95.4000116.9
103M24.5Very low28.8Very low164 Ų164128 Ų12881%0.80875%0.749SS**  trans47.4170.3130.4-65.4-68.3102.900122
104P51.9Low28.2Very low101 Ų101128.7 Ų128.766%0.65675%0.746SS**  cis-131-152.4-39.932.6-11.7000111.7
105V24.5Very low28Very low127 Ų127131.9 Ų131.977%0.7775%0.753SS**  trans68.7149.3167.7-123.90000114.6
106T23.7Very low27.7Very low118 Ų118126.9 Ų126.972%0.72474%0.744SS**  cis-149171.717.3-42.70000113.1
107L24Very low27.6Very low148 Ų148127.2 Ų127.278%0.77575%0.75SS**  trans-40.9166.6158.4-53.9164.3000112.7
108Q25.3Very low27.5Very low170 Ų170127 Ų12779%0.79474%0.744SS**  cis-168.6167.140.3-158.3162.328.500114.5
109T24.4Very low27.6Very low121 Ų121127.8 Ų127.874%0.74275%0.745SS**  trans-47.1152.1163.8-27.90000114.6
110V25.7Very low28.2Very low135 Ų135124.5 Ų124.582%0.81874%0.738SS**  -166.5149.9122.5138.90000109.8
111A26.4Very low28Very low77 Ų77125.4 Ų125.464%0.63674%0.736SS**  trans-91.2-158.8178.500000111.4
112T24.5Very low28.4Very low121 Ų121128.5 Ų128.574%0.74274%0.738SS**  trans66.6144164.637.10000116.7
113Q28.4Very low28.7Very low150 Ų150131 Ų13170%0.70174%0.744SS**  cis-171.8164.1-14.9-140.317710.700108.1
114N29.6Very low28.8Very low129 Ų129126 Ų12669%0.6974%0.736SS**  trans66.2170.1164.2-34-39.1000114.5
115E24.8Very low27.8Very low176 Ų176129.7 Ų129.782%0.82275%0.75SS**  cis-154.1168-18.4-137-171.7123.600111.3
116A25.8Very low28.1Very low65 Ų65126.7 Ų126.754%0.53774%0.744SS.*  trans43.5114.4137.200000122.7
117T23.9Very low28.5Very low130 Ų130129 Ų12980%0.79875%0.752SS**  82.3113.1109.9-57.20000121.4
118V25.9Very low29.2Very low132 Ų132125.9 Ų125.980%0.875%0.748SS**  trans88135.11441660000121.5
119S28.4Very low29.6Very low103 Ų103127.4 Ų127.472%0.7276%0.755SS**  trans-57.4-166.7169.5-27.50000114.8
120P48.9Very low30Very low101 Ų101125.5 Ų125.566%0.65676%0.76SS**  cis-134.5178.2-842-26.4000114.8
121N27Very low30.5Very low149 Ų149127.5 Ų127.580%0.79776%0.76SS**  -166.7172.5115.2-119.7-50.9000116.4
122N32.7Very low30.6Very low129 Ų129130.1 Ų130.169%0.6976%0.764SS**  trans-109.3153.4-172.6-51.9-96.9000112.4
123Q31.6Very low31.1Very low204 Ų204130.5 Ų130.595%0.95377%0.766SS**  trans175.4145.3138-97.2157.535.100110.2
124G28.3Very low31.2Very low61 Ų61127.7 Ų127.763%0.62977%0.768SS**  cis169.4147.9-12.700000115
125N30.3Very low31.3Very low177 Ų177129.2 Ų129.295%0.94778%0.775SS**  trans63142.5147.9-611.1000123.5
126G30.8Very low31.6Very low64 Ų64126.4 Ų126.466%0.6677%0.766SS**  trans117.9103.4159.700000113.4
127N32.3Very low32.2Very low167 Ų167131.8 Ų131.889%0.89378%0.777SS**  79.7134.769.9-75.213.7000113.1
128A38.5Very low32.5Very low83 Ų83129.3 Ų129.369%0.68678%0.777SS**  cis-164.2-163-3.100000111.5
129E34Very low33.1Very low201 Ų201130.9 Ų130.994%0.93978%0.781SS**  trans88.6144.1160.8-50.6-168.1170.200119.4
130G33Very low33.3Very low82 Ų82129.2 Ų129.285%0.84578%0.78SS**  trans120.763.8163.500000118.8
131E34.5Very low33Very low177 Ų177130.1 Ų130.183%0.82778%0.784SS**  trans-81.2137.7167.2-63.6-178.5124.900112.8
132N29.9Very low33.3Very low132 Ų132130.2 Ų130.271%0.70679%0.785SS**  152.2128.2118.2-84.2-73000115.9
133V35.3Very low33.6Very low129 Ų129130.6 Ų130.678%0.78279%0.791SS**  25.3125.1128.9-162.80000117.2
134A30.2Very low34Very low91 Ų91125.8 Ų125.875%0.75278%0.776SS**  -164.7-168.860.700000116.4
135L32Very low34.5Very low160 Ų160129.3 Ų129.384%0.83878%0.78SS**  trans-54.6170.9174-7173.6000114.4
136D30.6Very low34.8Very low117 Ų117127.1 Ų127.163%0.62677%0.767SS**  cis-147.7-176.523.7-162.315.6000113.6
137K37.5Very low35.1Very low179 Ų179132.7 Ų132.778%0.77877%0.773SS**  trans-54.7148.1-169.4-52.3128.5-166.8134.90117.2
138G30.1Very low35.3Very low78 Ų78130 Ų13080%0.80476%0.762SS**  trans-142.2129.6143.200000109.1
139D39.1Very low35.2Very low165 Ų165131.5 Ų131.588%0.88277%0.765SS**  trans-80.1146.4175.9-1729.3000110.4
140G33.8Very low35.3Very low67 Ų67127.9 Ų127.969%0.69176%0.757SS**  trans-177.353.9-164.800000114.2
141T41.5Very low35.5Very low120 Ų120129.4 Ų129.474%0.73675%0.752SS**  trans-1.8123.3170.655.60000118.3V143T141-V143 PolarHBondContact O-N 3.13Å
142D32.6Very low35.8Very low152 Ų152126.4 Ų126.481%0.81375%0.75SS**  trans-52115.7175.6-65.6-76.1000114.3V144D142-V144 VanDerWaalsContact C-N 3.31Å; D142-V144 HydrophobicContact CB-CG2 3.87Å; D142-V144 PolarHBondContact O-N 3.39Å
143V40.4Very low36.1Very low136 Ų136126.1 Ų126.182%0.82475%0.754SS**  trans-8384.8152.7-177.90000107.2T141 N145T141-V143 PolarHBondContact O-N 3.13Å; V143-N145 PolarHBondContact O-N 3.1Å
144V39.3Very low36.4Very low104 Ų104125.6 Ų125.663%0.6375%0.753SS**  trans-61.4105174.9-176.80000108.5D142 I146D142-V144 VanDerWaalsContact C-N 3.31Å; D142-V144 HydrophobicContact CB-CG2 3.87Å; D142-V144 PolarHBondContact O-N 3.39Å; V144-I146 VanDerWaalsContact C-N 3.29Å; V144-I146 HydrophobicContact CB-CG1 4.45Å; V144-I146 HydrophobicContact CG1-CG1 3.87Å; V144-I146 PolarHBondContact O-N 2.96Å
145N38.5Very low36.7Very low134 Ų134126.4 Ų126.472%0.71774%0.744SS**  trans-78.881.8-179.4-156.811.1000109.2V143 F147V143-N145 PolarHBondContact O-N 3.1Å; N145-F147 PolarHBondContact O-N 3.35Å
146I36.9Very low37.3Very low131 Ų131125.1 Ų125.167%0.67275%0.745SS**  trans-66.996.6-174.5-55.9176.1000109.6V144 V148V144-I146 VanDerWaalsContact C-N 3.29Å; V144-I146 HydrophobicContact CB-CG1 4.45Å; V144-I146 HydrophobicContact CG1-CG1 3.87Å; V144-I146 PolarHBondContact O-N 2.96Å; I146-V148 VanDerWaalsContact C-N 3.29Å; I146-V148 HydrophobicContact CG2-CG2 3.88Å; I146-V148 PolarHBondContact O-N 3.14Å
147F37.3Very low37.8Very low182 Ų182123.8 Ų123.880%0.79875%0.746SS**  trans-64.590.9161.5-94.2-96.3000109.2N145 P149N145-F147 PolarHBondContact O-N 3.35Å; F147-P149 VanDerWaalsContact O-CD 3.29Å; F147-P149 WeakPolarHBondContact O-CD 3.46Å
148V36.3Very low38.4Very low109 Ų109119.3 Ų119.366%0.66173%0.73SS**PPolyproline II helixtrans-70.3118.1166.5179.90000107.7I146 V150I146-V148 VanDerWaalsContact C-N 3.29Å; I146-V148 HydrophobicContact CG2-CG2 3.88Å; I146-V148 PolarHBondContact O-N 3.14Å; V148-V150 PolarHBondContact O-N 3.36Å; V148-V150 VanDerWaalsContact O-N 3.15Å
149P37.5Very low39.2Very low116 Ų116121.5 Ų121.575%0.75373%0.73SS**PPolyproline II helixtrans-67.2116174.7-17.432.3000109.1F147F147-P149 VanDerWaalsContact O-CD 3.29Å; F147-P149 WeakPolarHBondContact O-CD 3.46Å
150V35.5Very low39.6Very low124 Ų124124 Ų12475%0.75273%0.727SS**PPolyproline II helixtrans-63124.3169.3178.20000107.5V148 S152V148-V150 PolarHBondContact O-N 3.36Å; V148-V150 VanDerWaalsContact O-N 3.15Å; V150-S152 PolarHBondContact O-N 2.67Å
151P36.4Very low39.8Very low114 Ų114125.1 Ų125.174%0.7472%0.724SS**PPolyproline II helixtrans-67.4118.8177.127.2-33000109.2T153P151-T153 PolarHBondContact O-N 3.09Å
152S40.4Very low40Very low114 Ų114125.2 Ų125.280%0.79773%0.727SS**PPolyproline II helixtrans-54.5122.7177.4-53.30000110.7V150V150-S152 PolarHBondContact O-N 2.67Å
153T37.6Very low40.4Very low127 Ų127121.6 Ų121.678%0.77972%0.718SS**PPolyproline II helixtrans-60132.1171.347.60000109.6P151 D155P151-T153 PolarHBondContact O-N 3.09Å; T153-D155 PolarHBondContact O-N 2.95Å
154P40.3Very low40.4Very low118 Ų118121 Ų12177%0.76672%0.717SS**PPolyproline II helixtrans-57.5135.7175.7-24.934.5000111.7
155D36.1Very low40.6Very low107 Ų107125.5 Ų125.557%0.57273%0.728SS**PPolyproline II helixtrans-60.6127.3171.4-175.8-24.2000109.3T153 S157T153-D155 PolarHBondContact O-N 2.95Å; D155-S157 PolarHBondContact O-N 3.19Å; D155-S157 WeakPolarHBondContact OD1-CB 3.29Å; D155-S157 PolarHBondContact OD1-N 3.48Å; D155-S157 PolarHBondContact OD1-OG 3Å
156P46.2Very low41Very low133 Ų133122.9 Ų122.986%0.86473%0.733SS**THydrogen-bonded Turntrans-65.1-0.417828.7-36.7000114.5
157S39.9Very low41.3Very low90 Ų90124 Ų12463%0.62974%0.736SS**THydrogen-bonded Turntrans-97.8-5.3-173.2-42.20000115.4D155 P159D155-S157 PolarHBondContact O-N 3.19Å; D155-S157 WeakPolarHBondContact OD1-CB 3.29Å; D155-S157 PolarHBondContact OD1-N 3.48Å; D155-S157 PolarHBondContact OD1-OG 3Å; S157-P159 VanDerWaalsContact O-CD 3.3Å; S157-P159 WeakPolarHBondContact O-CD 3.42Å
158D50.4Low41.6Very low84 Ų84124.4 Ų124.445%0.44974%0.74SS.*  trans-72.8116.5179.1168.932.2000112.5R160 S161D158-R160 VanDerWaalsContact C-N 3.25Å; D158-R160 PolarHBondContact O-N 3.42Å; D158-R160 PolarHBondContact OD1-N 2.78Å; D158-S161 PolarHBondContact OD2-N 2.89Å; D158-S161 PolarHBondContact OD2-OG 2.56Å
159P46.7Very low42Very low124 Ų124126.1 Ų126.181%0.80574%0.74SS**THydrogen-bonded Turntrans-79.37.9-179.234.6-37.1000114.8S157S157-P159 VanDerWaalsContact O-CD 3.3Å; S157-P159 WeakPolarHBondContact O-CD 3.42Å
160R48.1Very low42Very low219 Ų219129.1 Ų129.183%0.82675%0.746SS**THydrogen-bonded Turntrans-120.61.2-173.7-74.2-172.5169.4177.6-1.2117.1D158 P162D158-R160 VanDerWaalsContact C-N 3.25Å; D158-R160 PolarHBondContact O-N 3.42Å; D158-R160 PolarHBondContact OD1-N 2.78Å; R160-P162 WeakPolarHBondContact O-CD 3.29Å
161S38Very low42.4Very low89 Ų89133.4 Ų133.462%0.62275%0.749SS**PPolyproline II helixtrans-76.9121.2174.8-74.20000112.9D158 A163D158-S161 PolarHBondContact OD2-N 2.89Å; D158-S161 PolarHBondContact OD2-OG 2.56Å; S161-A163 PolarHBondContact O-N 2.93Å
162P45.4Very low42.9Very low122 Ų122133 Ų13379%0.79274%0.744SS**PPolyproline II helixtrans-72123.7177-16.331.2000112R160R160-P162 WeakPolarHBondContact O-CD 3.29Å
163A40.8Very low43.2Very low77 Ų77132.5 Ų132.564%0.63673%0.73SS**PPolyproline II helixtrans-68.3140.7-179.100000112.7S161 F165S161-A163 PolarHBondContact O-N 2.93Å; A163-F165 PolarHBondContact O-N 2.87Å
164P40.8Very low43.1Very low122 Ų122131.8 Ų131.879%0.79273%0.725SS**PPolyproline II helixtrans-69.1122.9178.227.9-34.1000111.5G166P164-G166 PolarHBondContact O-N 2.57Å
165F43.6Very low43.2Very low199 Ų199130.5 Ų130.587%0.87372%0.719SS**THydrogen-bonded Turntrans-73.7113.1-179.40.6-91.8000110.7A163A163-F165 PolarHBondContact O-N 2.87Å
166G46.5Very low43.4Very low79 Ų79133 Ų13381%0.81473%0.732SS**THydrogen-bonded Turntrans158.2-10.7169.900000118.8P164P164-G166 PolarHBondContact O-N 2.57Å
167Q43.2Very low43.4Very low155 Ų155133.7 Ų133.772%0.72472%0.723SS**  trans-118.5121.6-179.6-70.4-174-22.500112.6H169Q167-H169 PolarHBondContact O-N 3.4Å; Q167-H169 PolarHBondContact OE1-NE2 3.47Å
168Q44Very low43.7Very low190 Ų190135.9 Ų135.989%0.88873%0.732SS**  trans-83.586.3167.7-73.3-175.3-23.400109.6
169H44.9Very low43.2Very low145 Ų145136.7 Ų136.767%0.67174%0.74SS**  trans-84.1130.9168.7-75.7-73.9000110.5Q167 R171Q167-H169 PolarHBondContact O-N 3.4Å; Q167-H169 PolarHBondContact OE1-NE2 3.47Å; H169-R171 PolarHBondContact O-N 2.66Å
170M36.2Very low43Very low179 Ų179138.1 Ų138.188%0.88274%0.736SS**  trans-73106167.8-63.9-151.3-50.500109.4T172M170-T172 PolarHBondContact O-N 3.44Å; M170-T172 VanDerWaalsContact O-N 3.13Å
171R44.8Very low42.3Very low215 Ų215132.1 Ų132.181%0.81173%0.726SS**  trans-85.477.5176.2-168.4175.7-176.3169.52.8110.8H169 Q173H169-R171 PolarHBondContact O-N 2.66Å; R171-Q173 PolarHBondContact O-N 2.91Å
172T47.6Very low42.3Very low104 Ų104132.4 Ų132.464%0.63873%0.727SS**  trans-59.1119.4164.4-51.70000108.4M170 V174M170-T172 PolarHBondContact O-N 3.44Å; M170-T172 VanDerWaalsContact O-N 3.13Å; T172-V174 HydrophobicContact CG2-CG2 4.03Å
173Q45.3Very low41.7Very low105 Ų105130.9 Ų130.949%0.49172%0.72SS.*  trans-94.1119.2172.3-69.1179-5.600107.9R171R171-Q173 PolarHBondContact O-N 2.91Å
174V36Very low41.5Very low112 Ų112130.8 Ų130.868%0.67972%0.719SS**  trans-113.9112.4173.2-173.90000107.1T172 L176T172-V174 HydrophobicContact CG2-CG2 4.03Å; V174-L176 HydrophobicContact CG1-CD2 4.49Å; V174-L176 PolarHBondContact O-N 2.76Å
175S41.8Very low41.1Very low91 Ų91129.5 Ų129.564%0.63672%0.718SS**  trans-79.2108168.143.40000108.4
176L41.8Very low41.1Very low160 Ų160125.5 Ų125.584%0.83871%0.711SS**  trans-85.4108.5170.3-73.6171.3000109V174V174-L176 HydrophobicContact CG1-CD2 4.49Å; V174-L176 PolarHBondContact O-N 2.76Å
177E44.9Very low40.4Very low146 Ų146126.5 Ų126.568%0.68271%0.705SS**  trans-100.3134.7168.4-168.7158-171.300109.1V450E177-V450 VanDerWaalsContact CD-CG2 3.49Å; E177-V450 HydrophobicContact CG-CG2 4.11Å; E177-V450 WeakPolarHBondContact OE2-CG2 3.4Å
178V46.8Very low40.1Very low137 Ų137123.6 Ų123.683%0.8370%0.7SS**  trans-92.7112.4-167.2179.70000110.3Q180V178-Q180 PolarHBondContact O-N 3.17Å
179V40Very low39.9Very low100 Ų100122.3 Ų122.361%0.60670%0.696SS**  trans-74.3115.5178-1710000110.5C181V179-C181 PolarHBondContact O-N 3.13Å
180Q42.2Very low40.1Very low155 Ų155121.6 Ų121.672%0.72470%0.701SS**  trans-86.986.8172.1-173.2174.9-12.600110.9V178 C182V178-Q180 PolarHBondContact O-N 3.17Å; Q180-C182 PolarHBondContact O-N 3.05Å
181C34.2Very low40.4Very low92 Ų92116.1 Ų116.162%0.62268%0.68SS**  trans-76103.3174.7-64.50000111.8V179 S183V179-C181 PolarHBondContact O-N 3.13Å; C181-S183 PolarHBondContact O-N 3.45Å
182C36.9Very low40.4Very low95 Ų95111.1 Ų111.164%0.64268%0.675SS**  trans-88.781.2172.3-71.20000111.7Q180 A184Q180-C182 PolarHBondContact O-N 3.05Å; C182-A184 PolarHBondContact O-N 3.28Å
183S32.7Very low40.3Very low91 Ų91116.1 Ų116.164%0.63669%0.691SS**  trans-82.2109.6176.4-57.70000112C181C181-S183 PolarHBondContact O-N 3.45Å
184A36.5Very low40.2Very low74 Ų74113.8 Ų113.861%0.61270%0.695SS**  trans-100.3101.617600000111.3C182C182-A184 PolarHBondContact O-N 3.28Å
185A32.9Very low40.6Very low95 Ų95116.4 Ų116.479%0.78571%0.706SS**  trans-100.7102.1175.500000110.6S187A185-S187 PolarHBondContact O-N 3.19Å
186T43.5Very low40.8Very low116 Ų116120 Ų12071%0.71271%0.712SS**  trans-78.2110.6171.751.90000109.7
187S32.8Very low40.7Very low99 Ų99117.6 Ų117.669%0.69271%0.708SS**  trans-55141.4170.2-168.80000110.4A185 M189A185-S187 PolarHBondContact O-N 3.19Å; S187-M189 PolarHBondContact O-N 3.04Å
188P35.5Very low40.4Very low95 Ų95118.2 Ų118.262%0.61771%0.709SS**  trans-65.2100.1-177.926.7-35.2000111T190P188-T190 PolarHBondContact O-N 2.86Å
189M39.7Very low40Very low163 Ų163120.9 Ų120.980%0.80371%0.71SS**  trans-78.7109.7166.9-71.2-162.170.200108.9S187 P191S187-M189 PolarHBondContact O-N 3.04Å; M189-P191 WeakPolarHBondContact O-CD 3.48Å
190T50.8Low39.7Very low129 Ų129125.3 Ų125.379%0.79172%0.721SS**PPolyproline II helixtrans-56.3120160.6-47.20000107.9P188P188-T190 PolarHBondContact O-N 2.86Å
191P42.5Very low39.2Very low65 Ų65123.3 Ų123.342%0.42272%0.722SS.*PPolyproline II helixtrans-65.9139.1176.127.7-33.4000109.2M189 F198M189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-F198 HydrophobicContact CB-CE2 4.16Å
192P45Very low39.1Very low109 Ų109125.9 Ų125.971%0.70873%0.73SS**PPolyproline II helixtrans-65.4136.417128.6-33.5000109.6G194P192-G194 PolarHBondContact O-N 3.45Å
193E45Very low39.2Very low209 Ų209128.5 Ų128.598%0.97774%0.737SS**SBendtrans-67.5118.4-177.9-63.2175.7140.900110.9
194G43.2Very low39.7Very low57 Ų57132.9 Ų132.959%0.58875%0.745SS**SBendtrans178.6145.6177.600000112.4P192 H196P192-G194 PolarHBondContact O-N 3.45Å; G194-H196 PolarHBondContact O-N 2.8Å
195D44.5Very low39.9Very low167 Ų167132.9 Ų132.989%0.89375%0.752SS**SBendtrans-75.948.8-168.2-60.3-57.8000114.6
196H44.8Very low40.2Very low165 Ų165138.1 Ų138.176%0.76476%0.757SS**  trans-126.2110.6-176.4-64.9-12.3000111G194 F198G194-H196 PolarHBondContact O-N 2.8Å; H196-F198 PolarHBondContact O-N 3.35Å
197S40.8Very low39.8Very low110 Ų110142.1 Ų142.177%0.76977%0.767SS**PPolyproline II helixtrans-59.4120.8-177.6-48.40000111.9F199S197-F199 PolarHBondContact O-N 3.49Å
198F38.4Very low39.8Very low159 Ų159140.9 Ų140.970%0.69777%0.771SS**PPolyproline II helixtrans-64.7121.4174.6-95.3-100.3000111.1P191 H196P191-F198 HydrophobicContact CB-CE2 4.16Å; H196-F198 PolarHBondContact O-N 3.35Å
199F38.5Very low39.8Very low193 Ų193143.1 Ų143.185%0.84678%0.782SS**PPolyproline II helixtrans-84.9122.1166.8-82.5-97.6000109.8S197S197-F199 PolarHBondContact O-N 3.49Å
200F33.2Very low39.3Very low193 Ų193142.5 Ų142.585%0.84678%0.782SS**PPolyproline II helixtrans-68.3129.1170.5-73.2-89.2000110.4N202F200-N202 PolarHBondContact O-N 3.33Å
201P32.8Very low38.8Very low114 Ų114142.3 Ų142.374%0.7478%0.783SS**  trans-67.2104.2173.2-19.832.9000110.8N203P201-N203 PolarHBondContact O-N 3.1Å
202N31.9Very low38.3Very low146 Ų146146 Ų14678%0.78180%0.804SS**  trans-7963.8-179.8-169.220.7000112.2F200F200-N202 PolarHBondContact O-N 3.33Å
203N37.9Very low37.8Very low150 Ų150145.2 Ų145.280%0.80281%0.807SS**  trans-101.458.7179.4-856000112P201P201-N203 PolarHBondContact O-N 3.1Å
204F43.3Very low37.1Very low183 Ų183141 Ų14180%0.80380%0.801SS**SBendtrans-127.3129.7158.8-95.2-91000109.6
205G40.7Very low36.6Very low74 Ų74142.9 Ų142.976%0.76381%0.81SS**SBendtrans84.854.9172.200000116.8
206K38.7Very low36.3Very low205 Ų205140.2 Ų140.289%0.89181%0.811SS**  trans-163.890.7155.5-108.5152.8-170.8175.80112.8
207H35.8Very low35.5Very low199 Ų199136 Ų13692%0.92181%0.813SS**  trans-127.9119.1163.5-84.9-68.1000109.7
208G32Very low35.8Very low74 Ų74136.7 Ų136.776%0.76381%0.813SS**  trans79.8101.9169.200000116.1
209V35.3Very low35.7Very low141 Ų141137.9 Ų137.986%0.85582%0.82SS**  170.3120.7110.3157.90000107.8
210D30.5Very low35.9Very low150 Ų150136.6 Ų136.680%0.80282%0.822SS**  trans-77142.6172.5-65.6-66.6000111.2V212D210-V212 PolarHBondContact O-N 3.39Å; D210-V212 VanDerWaalsContact O-N 3.16Å
211P41Very low36.1Very low126 Ų126132.1 Ų132.182%0.81882%0.82SS**  trans-83.296.5-171.532.3-35.3000113
212V30.6Very low36.2Very low143 Ų143135.1 Ų135.187%0.86783%0.825SS**  trans-124.9120.1157.1-179.20000108.8D210D210-V212 PolarHBondContact O-N 3.39Å; D210-V212 VanDerWaalsContact O-N 3.16Å
213A35.6Very low36.7Very low92 Ų92136.3 Ų136.376%0.7683%0.83SS**  trans-90.2143-170.900000113.2
214S30Very low36.6Very low121 Ų121138.4 Ų138.485%0.84684%0.835SS**  trans-171141.2131.6-86.50000114.6
215A31.7Very low36.2Very low95 Ų95136.5 Ų136.579%0.78584%0.838SS**  trans60.3105.5146.800000121.2
216A38.2Very low35.8Very low111 Ų111136.5 Ų136.592%0.91784%0.839SS**  55104.1125.700000120.1
217G27.8Very low35.8Very low77 Ų77135 Ų13579%0.79484%0.835SS**  trans-151.897.8156.600000109.9
218T47.3Very low35.6Very low125 Ų125133.5 Ų133.577%0.76783%0.828SS**  trans-68.5141.1170.548.60000110.1
219H37Very low35.7Very low183 Ų183134 Ų13485%0.84782%0.816SS**  -167.9150.6128-92.3-53.5000110.9
220D42.9Very low35.5Very low166 Ų166135.4 Ų135.489%0.88881%0.813SS**  trans-53139.3173.5-82.3-60.7000112.4
221A36.7Very low35.7Very low99 Ų99136.3 Ų136.382%0.81881%0.81SS**  trans-13184.1167.100000108.5
222E35.7Very low35.1Very low178 Ų178135.2 Ų135.283%0.83280%0.804SS**  trans-39.9139.2178.4-170.6170.4-16900114.8Q224E222-Q224 PolarHBondContact O-N 3.49Å
223L41.2Very low35.2Very low171 Ų171133.7 Ų133.790%0.89580%0.8SS**  trans-41.7118-176.3-60.2166.8000114
224Q36.8Very low35.1Very low193 Ų193135.3 Ų135.390%0.90280%0.8SS**  trans-94.3135.3164.4-68.6-167.1-2.500111.3E222E222-Q224 PolarHBondContact O-N 3.49Å
225V35.8Very low35.4Very low143 Ų143134.3 Ų134.387%0.86780%0.799SS**  trans-73125.8-172.7178.90000110.6Q227V225-Q227 PolarHBondContact O-N 2.89Å; V225-Q227 VanDerWaalsContact O-N 3.12Å
226G32.3Very low35.7Very low75 Ų75135.8 Ų135.877%0.77380%0.799SS**  trans-68.6105.9174.600000111.7Q228G226-Q228 PolarHBondContact O-N 3.13Å
227Q37.7Very low35.4Very low174 Ų174135.6 Ų135.681%0.81379%0.791SS**  trans-71.6114.8173.2-174.8174.21.700110.1V225 V229V225-Q227 PolarHBondContact O-N 2.89Å; V225-Q227 VanDerWaalsContact O-N 3.12Å; Q227-V229 HydrophobicContact CG-CG2 4.4Å; Q227-V229 PolarHBondContact O-N 3.22Å
228Q31.6Very low35.7Very low166 Ų166137.3 Ų137.378%0.77679%0.788SS**  trans-76.1109.6176.6-171.1172.15.300109.7G226G226-Q228 PolarHBondContact O-N 3.13Å
229V35.1Very low35.2Very low84 Ų84138.7 Ų138.751%0.50979%0.787SS.*  trans-100.4114.7177.3-176.90000109.5Q227 F231Q227-V229 HydrophobicContact CG-CG2 4.4Å; Q227-V229 PolarHBondContact O-N 3.22Å; V229-F231 HydrophobicContact CB-CD2 4.48Å; V229-F231 HydrophobicContact CB-CE2 3.83Å; V229-F231 HydrophobicContact CB-CZ 4.09Å; V229-F231 HydrophobicContact CG1-CD1 4.39Å; V229-F231 HydrophobicContact CG1-CD2 4.11Å; V229-F231 HydrophobicContact CG1-CE1 3.93Å; V229-F231 HydrophobicContact CG1-CE2 3.61Å; V229-F231 HydrophobicContact CG1-CG 4.48Å; V229-F231 HydrophobicContact CG1-CZ 3.51Å; V229-F231 WeakPolarHBondContact O-CD2 3.35Å
230E30.5Very low35.5Very low171 Ų171136.2 Ų136.280%0.79979%0.785SS**  trans-87.9116.9175.3-173171.7-164.800110.5C232E230-C232 PolarHBondContact O-N 3.31Å
231F33.4Very low35.1Very low170 Ų170133.6 Ų133.675%0.74678%0.778SS**  trans-94.573-173.7-72.5-82.8000112.7V229 S233V229-F231 HydrophobicContact CB-CD2 4.48Å; V229-F231 HydrophobicContact CB-CE2 3.83Å; V229-F231 HydrophobicContact CB-CZ 4.09Å; V229-F231 HydrophobicContact CG1-CD1 4.39Å; V229-F231 HydrophobicContact CG1-CD2 4.11Å; V229-F231 HydrophobicContact CG1-CE1 3.93Å; V229-F231 HydrophobicContact CG1-CE2 3.61Å; V229-F231 HydrophobicContact CG1-CG 4.48Å; V229-F231 HydrophobicContact CG1-CZ 3.51Å; V229-F231 WeakPolarHBondContact O-CD2 3.35Å; F231-S233 PolarHBondContact O-N 3.48Å; F231-S233 PolarHBondContact O-OG 3.28Å
232C30Very low35.2Very low102 Ų102138.8 Ų138.869%0.68978%0.782SS**  trans-64.191.4174.7-71.10000112.4E230E230-C232 PolarHBondContact O-N 3.31Å
233S32Very low35.3Very low111 Ų111135.4 Ų135.478%0.77677%0.773SS**  trans-91103-178.6-61.10000111.7F231F231-S233 PolarHBondContact O-N 3.48Å; F231-S233 PolarHBondContact O-OG 3.28Å
234V33.9Very low35.2Very low127 Ų127133.5 Ų133.577%0.7777%0.771SS**  trans-95.9105.8179-176.20000110.7T236V234-T236 HydrophobicContact CG1-CG2 4.29Å
235A35.5Very low35Very low100 Ų100129.4 Ų129.483%0.82676%0.764SS**  trans-9591.8179.500000112.1S237A235-S237 PolarHBondContact O-N 3.03Å
236T37.6Very low35.1Very low125 Ų125128.1 Ų128.177%0.76776%0.761SS**  trans-85.6105.6170.953.30000111V234V234-T236 HydrophobicContact CG1-CG2 4.29Å
237S33.4Very low35.3Very low108 Ų108130.2 Ų130.276%0.75576%0.759SS**PPolyproline II helixtrans-64.4140.2170.9-53.80000111.3A235 M239A235-S237 PolarHBondContact O-N 3.03Å; S237-M239 PolarHBondContact O-N 3.21Å
238P33.3Very low35Very low113 Ų113126.2 Ų126.273%0.73476%0.756SS**PPolyproline II helixtrans-69.5128.7-178.227.7-34.3000111.7T240P238-T240 PolarHBondContact O-N 2.9Å
239M37.1Very low35Very low153 Ų153127.1 Ų127.175%0.75476%0.758SS**PPolyproline II helixtrans-73.1120.4171.1-68.7-179.467.800110.4S237 P241 P509S237-M239 PolarHBondContact O-N 3.21Å; M239-P241 VanDerWaalsContact O-CD 3.31Å; M239-P241 WeakPolarHBondContact O-CD 3.43Å; M239-P509 HydrophobicContact CE-CG 4.16Å
240T43.7Very low35.1Very low131 Ų131128.8 Ų128.880%0.80477%0.77SS**  trans-84.1113.917131.70000111P238 K242P238-T240 PolarHBondContact O-N 2.9Å; T240-K242 PolarHBondContact O-N 3.12Å
241P34Very low35.1Very low112 Ų112127 Ų12773%0.72777%0.77SS**  trans-71.2122.1172.129.1-33000109.8M239 T243M239-P241 VanDerWaalsContact O-CD 3.31Å; M239-P241 WeakPolarHBondContact O-CD 3.43Å; P241-T243 PolarHBondContact O-N 2.73Å
242K39.5Very low35Very low207 Ų207127 Ų12790%0.978%0.778SS**  trans-72.797.5173.8-75.2-176.5176.5177.90110.4T240T240-K242 PolarHBondContact O-N 3.12Å
243T37.7Very low35Very low107 Ų107130.6 Ų130.666%0.65678%0.782SS**  trans-76.3128.6168.344.70000110.6P241 S245P241-T243 PolarHBondContact O-N 2.73Å; T243-S245 PolarHBondContact O-N 2.77Å
244P37.3Very low35.1Very low132 Ų132136.9 Ų136.986%0.85779%0.788SS**  trans-79.970.8174.532.8-34.5000110.6S246P244-S246 PolarHBondContact O-N 2.96Å
245S32.9Very low34.9Very low107 Ų107139 Ų13975%0.74879%0.79SS**  trans-73.986.4179.9-66.60000112.2T243T243-S245 PolarHBondContact O-N 2.77Å
246S39.3Very low34.7Very low116 Ų116140.7 Ų140.781%0.81179%0.79SS**  trans-14085.9162.1-167.70000110.8P244P244-S246 PolarHBondContact O-N 2.96Å
247T35.4Very low34.2Very low118 Ų118138.7 Ų138.772%0.72479%0.794SS**  trans-127.488.5166.1175.20000108.3F249T247-F249 PolarHBondContact O-N 2.65Å
248A32.5Very low34.1Very low91 Ų91142.6 Ų142.675%0.75280%0.801SS**  trans-80.6111.3172.900000108.7P250A248-P250 WeakPolarHBondContact O-CD 3.27Å
249F30.1Very low34Very low185 Ų185146.8 Ų146.881%0.81181%0.807SS**PPolyproline II helixtrans-60.5123176.1-71.3-89.3000110.6T247 V251T247-F249 PolarHBondContact O-N 2.65Å; F249-V251 PolarHBondContact O-N 3.45Å
250P37Very low33.7Very low118 Ų118148.6 Ų148.677%0.76681%0.811SS**PPolyproline II helixtrans-71.6126.5173.828.7-32.8000110A248 L252A248-P250 WeakPolarHBondContact O-CD 3.27Å; P250-L252 PolarHBondContact O-N 3.29Å
251V32Very low32.9Very low133 Ų133147.3 Ų147.381%0.80681%0.807SS**PPolyproline II helixtrans-65.3118.2174.2174.80000109.4F249 K253F249-V251 PolarHBondContact O-N 3.45Å; V251-K253 PolarHBondContact O-N 3.42Å
252L30Very low32.5Very low171 Ų171147.2 Ų147.290%0.89581%0.808SS**  trans-64.791172.9-87.5164.7000110.9P250 R254P250-L252 PolarHBondContact O-N 3.29Å; L252-R254 PolarHBondContact O-N 3.06Å
253K30.4Very low31.8Very low178 Ų178144.2 Ų144.277%0.77481%0.807SS**  trans-65.9118165.3-79.3-171.1174.9-1760109.4V251 E255V251-K253 PolarHBondContact O-N 3.42Å; K253-E255 PolarHBondContact O-N 3.11Å; K253-E255 VanDerWaalsContact O-N 3.16Å
254R34.8Very low31.3Very low242 Ų242145.2 Ų145.291%0.91381%0.813SS**  trans-74.594.6169.6-178.6-167.9-63.6118.7-0.9109.4L252L252-R254 PolarHBondContact O-N 3.06Å
255E29.5Very low30.9Very low173 Ų173145.1 Ų145.181%0.80881%0.811SS**  trans-108.5143.4165.2-74-169.9140.600111.2K253K253-E255 PolarHBondContact O-N 3.11Å; K253-E255 VanDerWaalsContact O-N 3.16Å
256T31.3Very low30.6Very low135 Ų135149.2 Ų149.283%0.82882%0.815SS**  trans-82.9130.9-177.540.80000110.6Q258T256-Q258 PolarHBondContact O-N 3.32Å
257G27Very low29.8Very low83 Ų83148.8 Ų148.886%0.85681%0.811SS**  trans-66.4122.8-174.800000113.5
258Q32.3Very low29.3Very low190 Ų190148.8 Ų148.889%0.88881%0.811SS**  trans-112.5113.4160-81.2-158.7-9.700112T256T256-Q258 PolarHBondContact O-N 3.32Å
259K31.1Very low29.1Very low201 Ų201152.6 Ų152.687%0.87481%0.813SS**  trans-50.9124.9172.7171.3-176.7-178.3174.70113.7
260K29.8Very low29Very low190 Ų190151.2 Ų151.283%0.82681%0.809SS**  trans-164.3119.8147.9-102.3140.5-171.3177.10114.5
261S26.3Very low28.6Very low104 Ų104150.4 Ų150.473%0.72780%0.802SS**  trans19.3117.314655.20000121.9
262C25.6Very low28.4Very low111 Ų111149.2 Ų149.275%0.7580%0.8SS**  34.5121.5115.1-171.30000120
263T26.6Very low28.5Very low144 Ų144149.6 Ų149.688%0.88379%0.794SS**  -163.6159.8115.212.80000112.7
264T25.6Very low28.5Very low127 Ų127148.1 Ų148.178%0.77979%0.794SS**  trans-103.4135.1-176.5-57.50000111.6
265T29.1Very low28.2Very low131 Ų131143.6 Ų143.680%0.80479%0.788SS**  trans178.4138.7151.130.70000107.8
266K26.6Very low28.1Very low192 Ų192143.5 Ų143.584%0.83579%0.788SS**  56.8134.158.5-74.9-166.5174.2-172.10112.8
267C24Very low28.2Very low107 Ų107141.6 Ų141.672%0.72378%0.78SS**  cis-122.41660.8-76.80000109.1
268T24.7Very low28.5Very low118 Ų118145.7 Ų145.772%0.72478%0.782SS**  62.2138.461.5-14.80000114.9
269E28.1Very low28.6Very low172 Ų172146.2 Ų146.280%0.80478%0.781SS**  trans73.1148.2166-58.3-168.4143.100116.9
270E26.6Very low28.4Very low155 Ų155143.3 Ų143.372%0.72479%0.785SS**  cis-158.9-180-8.7-116.2-63106.600111.8
271V28.6Very low28.5Very low101 Ų101138.7 Ų138.761%0.61278%0.781SS**  trans-52.8136.5-175.7168.20000118.5
272S29.3Very low28.8Very low109 Ų109143.2 Ų143.276%0.76279%0.788SS**  -177134.8128.328.30000109.5
273K32.1Very low28.9Very low179 Ų179142.8 Ų142.878%0.77879%0.786SS**  cis74.2143.744.7-82.9-166.2173.7-178.10115.4
274N30.7Very low29.2Very low146 Ų146144 Ų14478%0.78179%0.786SS**  trans75.6152.3-178.8-40.8-18000114.7
275D27.4Very low29.3Very low147 Ų147143.3 Ų143.379%0.78679%0.787SS**  -162.7171.5-50.3-126.7-55.1000110.3
276E28.3Very low29.5Very low171 Ų171142.4 Ų142.480%0.79979%0.786SS**  trans36.5113.9151.3-163.3167.5163.400121.9
277S32.9Very low29.7Very low96 Ų96143.6 Ų143.667%0.67179%0.787SS**  trans51.2134136.4-159.60000122.2
278L32.5Very low30.2Very low169 Ų169147 Ų14789%0.88579%0.792SS**  -166.1133.2119.5-106163.6000112.3
279K35.1Very low30.4Very low200 Ų200145.9 Ų145.987%0.8779%0.789SS**  trans-86.5139.3164.8-73.1176.9178.5172.60109.7
280C26.9Very low30.7Very low141 Ų141144.1 Ų144.195%0.95379%0.79SS**  trans-151.5161.7147-1430000110.1
281A31.3Very low30.7Very low92 Ų92140 Ų14076%0.7679%0.789SS**  trans-141.2149.1-164.400000114.7
282K32.8Very low30.8Very low200 Ų200140.8 Ų140.887%0.8780%0.799SS**  trans64.6123.5144.4-172.5176.9-173.7173.20118.8
283S27.9Very low30.9Very low102 Ų102140.2 Ų140.271%0.71380%0.795SS**  trans-175131.1138.7-87.80000114.6
284L33.3Very low31.1Very low168 Ų168138.1 Ų138.188%0.8880%0.797SS**  trans65.2153.4138.9-60.4175.3000119.3
285S27.4Very low31.3Very low114 Ų114136.9 Ų136.980%0.79780%0.8SS**  cis-155.4167-10.8-1730000110.3
286S33.4Very low31.3Very low111 Ų111133.2 Ų133.278%0.77680%0.797SS**  trans-102.2163.3-177.1-48.90000115.5
287Y30.6Very low31.4Very low218 Ų218133.5 Ų133.586%0.85580%0.803SS**  trans-151.9120.913963.6-90.9000107.5
288E33.8Very low31.2Very low177 Ų177132.9 Ų132.983%0.82780%0.804SS**  66.8133.984.8-69.8-135.8125.100114.8
289S30.5Very low31Very low96 Ų96131.5 Ų131.567%0.67180%0.803SS**  cis-155.8-173.7-8.8-159.70000107
290V32.4Very low30.5Very low135 Ų135126.6 Ų126.682%0.81880%0.8SS**  cis-155.9160.424.4178.60000105.9
291G28.4Very low30.7Very low68 Ų68126.2 Ų126.270%0.70179%0.793SS**  cis148-154.90.400000111.3
292S29Very low30.7Very low117 Ų117128.6 Ų128.682%0.81880%0.798SS**  trans64.855.7168.2-156.20000121.3
293S32.5Very low30.6Very low97 Ų97128.1 Ų128.168%0.67880%0.799SS**  trans15.3141.1132-53.10000124.2
294T35.4Very low30.5Very low136 Ų136127 Ų12783%0.83480%0.803SS**  trans65.4156.6139.153.40000119.1
295S34.9Very low30.3Very low119 Ų119124.8 Ų124.883%0.83280%0.797SS**  cis-172.3170.9-7.243.20000107.8
296G27.4Very low30.4Very low71 Ų71129 Ų12973%0.73280%0.802SS**  cis160.5174.8-0.100000111.9
297L31Very low30.2Very low176 Ų176131.8 Ų131.892%0.92180%0.802SS**  trans62.4102.7171.2-141.580.9000120.7
298A28.3Very low30.2Very low84 Ų84127.8 Ų127.869%0.69480%0.795SS**  trans55145.1133.100000125.7
299T27.7Very low30.1Very low139 Ų139124.1 Ų124.185%0.85379%0.79SS**  trans102.5145.1143.8-28.20000119.5
300A26.5Very low30.6Very low98 Ų98124.7 Ų124.781%0.8179%0.789SS**  trans93.1136.3157.600000119.4
301V31.2Very low30.9Very low133 Ų133127.1 Ų127.181%0.80679%0.792SS**  trans-106.5138.51761680000109.1
302T31.1Very low31.3Very low142 Ų142131.8 Ų131.887%0.87180%0.795SS**  trans-139.6150.8151.935.80000109.9
303Q29.4Very low31.6Very low189 Ų189132.1 Ų132.188%0.88380%0.796SS**  trans-83.6149.5-175.7-64.7161.6-70.500111.8
304G27.1Very low31.9Very low78 Ų78133.1 Ų133.180%0.80480%0.798SS**  trans-148.489168.900000109.9
305T28.2Very low32.2Very low123 Ų123135.5 Ų135.576%0.75580%0.8SS**  trans-68.6130.1179.9-48.20000110.8
306F30.1Very low32.5Very low203 Ų203138.2 Ų138.289%0.8980%0.8SS**  trans-143.6153.6151.6-133.9-93.3000110.1
307E29.1Very low33.1Very low168 Ų168146.4 Ų146.479%0.78581%0.808SS**  trans-67.8148.4-159.6-66.1-95.4104.100114.7
308D30Very low33.6Very low134 Ų134146.1 Ų146.172%0.71780%0.804SS**  trans-64.8139.8163.4175.331000110.5
309S32.6Very low34.4Very low101 Ų101145.2 Ų145.271%0.70680%0.803SS**  trans-138.997171-158.90000109.4Q311S309-Q311 PolarHBondContact O-N 3.09Å
310T39.7Very low35.3Very low108 Ų108143.3 Ų143.366%0.66380%0.795SS**  trans-65.484-174.530.80000112.8Q312T310-Q312 PolarHBondContact O-N 2.98Å
311Q39.3Very low36.5Very low186 Ų186146 Ų14687%0.86979%0.793SS**  trans-73.193.5164.8-70.7-163.60.900110.2S309 C313S309-Q311 PolarHBondContact O-N 3.09Å; Q311-C313 PolarHBondContact O-N 2.89Å; Q311-C313 VanDerWaalsContact O-N 3.17Å
312Q36.3Very low37.4Very low165 Ų165146.2 Ų146.277%0.77179%0.79SS**  trans-61.2114.1172.5-63.8179.7-2.300109.9T310 T314T310-Q312 PolarHBondContact O-N 2.98Å; Q312-T314 PolarHBondContact O-N 2.84Å
313C35.3Very low38.5Very low124 Ų124146.7 Ų146.784%0.83878%0.782SS**  trans-69.599.8169.6-174.20000108.9Q311 Q315Q311-C313 PolarHBondContact O-N 2.89Å; Q311-C313 VanDerWaalsContact O-N 3.17Å; C313-Q315 VanDerWaalsContact C-N 3.33Å; C313-Q315 PolarHBondContact O-N 3.43Å
314T38.5Very low39.4Very low119 Ų119144.9 Ų144.973%0.7378%0.779SS**  trans-73.285.7178.640.70000110.4Q312 Q316Q312-T314 PolarHBondContact O-N 2.84Å; T314-Q316 PolarHBondContact O-N 3.11Å
315Q42.1Very low40.5Very low186 Ų186148.2 Ų148.287%0.86978%0.776SS**  trans-56112.7174.2-169.7175.899.100109.5C313 R317C313-Q315 VanDerWaalsContact C-N 3.33Å; C313-Q315 PolarHBondContact O-N 3.43Å; Q315-R317 PolarHBondContact O-N 2.91Å
316Q41.4Very low41.6Very low176 Ų176147.7 Ų147.782%0.82277%0.773SS**  trans-65.4111-175.9-77.8-174.1-21.600110.5T314 M318T314-Q316 PolarHBondContact O-N 3.11Å; Q316-M318 PolarHBondContact O-N 2.93Å
317R40.9Very low42.8Very low243 Ų243144.7 Ų144.792%0.91777%0.765SS**  trans-68.699.5171.8-170.1-179.2-160.31565.2108.6Q315 G319Q315-R317 PolarHBondContact O-N 2.91Å; R317-G319 PolarHBondContact O-N 2.9Å; R317-G319 VanDerWaalsContact O-N 3.12Å
318M41.9Very low44Very low169 Ų169143.2 Ų143.283%0.83376%0.762SS**  trans-54.9117.7171.1-67.3-65.2-72.200108.8Q316Q316-M318 PolarHBondContact O-N 2.93Å
319G43.4Very low45Very low65 Ų65142 Ų14267%0.6776%0.759SS**  trans-69.1153.8177.200000111.5R317 M321R317-G319 PolarHBondContact O-N 2.9Å; R317-G319 VanDerWaalsContact O-N 3.12Å; G319-M321 PolarHBondContact O-N 3.44Å; G319-M321 VanDerWaalsContact O-N 3.11Å
320S47.1Very low45.8Very low99 Ų99142.3 Ų142.369%0.69276%0.756SS**  trans-62.7110.9164.645.60000108.6D322S320-D322 VanDerWaalsContact C-N 3.27Å; S320-D322 PolarHBondContact O-N 3.21Å
321M50.8Low46Very low156 Ų156145.4 Ų145.477%0.76876%0.763SS**  trans-8182.8171.9-172104.17500108G319 Q323G319-M321 PolarHBondContact O-N 3.44Å; G319-M321 VanDerWaalsContact O-N 3.11Å; M321-Q323 HydrophobicContact CG-CG 4.15Å; M321-Q323 PolarHBondContact O-N 2.95Å; M321-Q323 VanDerWaalsContact O-N 3.08Å
322D51.1Low45.9Very low136 Ų136147 Ų14773%0.72776%0.763SS**  trans-62109.9176.6-60-32.9000108.7S320S320-D322 VanDerWaalsContact C-N 3.27Å; S320-D322 PolarHBondContact O-N 3.21Å
323Q54Low46.1Very low152 Ų152141.7 Ų141.771%0.7175%0.753SS**  trans-107.9103.5-177.4-80171.777.800109.4M321 I325M321-Q323 HydrophobicContact CG-CG 4.15Å; M321-Q323 PolarHBondContact O-N 2.95Å; M321-Q323 VanDerWaalsContact O-N 3.08Å; Q323-I325 PolarHBondContact O-N 3.31Å
324D49.1Very low46.7Very low152 Ų152142.5 Ų142.581%0.81375%0.749SS**  trans-66.895.7173.8-72.7-42.9000110.8T326D324-T326 VanDerWaalsContact C-N 3.31Å; D324-T326 PolarHBondContact O-N 2.88Å; D324-T326 PolarHBondContact O-OG1 2.97Å
325I50.8Low46.6Very low147 Ų147143.4 Ų143.475%0.75475%0.749SS**  trans-71.587.8177.4-54.1-178.2000109.3Q323 I327Q323-I325 PolarHBondContact O-N 3.31Å; I325-I327 HydrophobicContact CG2-CG1 4.23Å; I325-I327 PolarHBondContact O-N 3.44Å; I325-I327 VanDerWaalsContact O-N 3.12Å
326T50.7Low47Very low112 Ų112141.5 Ų141.569%0.68775%0.745SS**  trans-75.598.6177.7-54.30000109.9D324 L328D324-T326 VanDerWaalsContact C-N 3.31Å; D324-T326 PolarHBondContact O-N 2.88Å; D324-T326 PolarHBondContact O-OG1 2.97Å; T326-L328 HydrophobicContact CG2-CD1 4.05Å; T326-L328 PolarHBondContact O-N 2.87Å
327I55.6Low47.3Very low140 Ų140141.3 Ų141.372%0.71874%0.744SS**  trans-79.7105.5176.5-56.2177.6000109.5I325 V329I325-I327 HydrophobicContact CG2-CG1 4.23Å; I325-I327 PolarHBondContact O-N 3.44Å; I325-I327 VanDerWaalsContact O-N 3.12Å; I327-V329 PolarHBondContact O-N 2.91Å
328L52.8Low47.9Very low138 Ų138139.2 Ų139.272%0.72375%0.745SS**  trans-77.2114.2170-78.780.8000109.9T326 T330T326-L328 HydrophobicContact CG2-CD1 4.05Å; T326-L328 PolarHBondContact O-N 2.87Å; L328-T330 PolarHBondContact O-N 3.07Å
329V51.6Low47.7Very low108 Ų108135.7 Ų135.766%0.65574%0.742SS**  trans-85.289.7171.9-177.70000109.3I327 H331I327-V329 PolarHBondContact O-N 2.91Å; V329-H331 PolarHBondContact O-N 3.48Å
330T49.3Very low47.4Very low107 Ų107142.1 Ų142.166%0.65676%0.755SS**  trans-75.499.717232.30000110.8L328 Y332L328-T330 PolarHBondContact O-N 3.07Å; T330-Y332 PolarHBondContact O-N 2.86Å
331H43.8Very low46.8Very low174 Ų174143 Ų14381%0.80676%0.761SS**  trans-68.796.8167.5-76.2-84.3000110.3V329 G333V329-H331 PolarHBondContact O-N 3.48Å; H331-G333 PolarHBondContact O-N 3.34Å; H331-G333 VanDerWaalsContact O-N 3.08Å
332Y36.9Very low45.8Very low218 Ų218142.7 Ų142.786%0.85576%0.757SS**  trans-65.8102.5163.4-87.5-93.9000109.4T330T330-Y332 PolarHBondContact O-N 2.86Å
333G40.7Very low45Very low55 Ų55146.1 Ų146.157%0.56777%0.766SS**  trans-94.8124.6160.700000109.2H331 N335H331-G333 PolarHBondContact O-N 3.34Å; H331-G333 VanDerWaalsContact O-N 3.08Å; G333-N335 PolarHBondContact O-N 2.93Å
334N47.2Very low44Very low141 Ų141146.6 Ų146.675%0.75477%0.769SS**  trans-58.2112.2168.2-85.448.3000109.5
335N37.8Very low42.9Very low137 Ų137145.5 Ų145.573%0.73377%0.767SS**  trans-134.9109.4156.5-66.8-89.7000105.3G333 E337G333-N335 PolarHBondContact O-N 2.93Å; N335-E337 VanDerWaalsContact C-N 3.35Å; N335-E337 PolarHBondContact O-N 3.13Å; N335-E337 VanDerWaalsContact O-N 3.09Å
336D49.5Very low42Very low146 Ų146146.4 Ų146.478%0.78177%0.773SS**  trans-8281-178.5-57.8-72.8000109.2
337E49.2Very low41.2Very low172 Ų172149.1 Ų149.180%0.80478%0.778SS**  trans-133.1124.3176.5-65.2-70.5177.600109.4N335N335-E337 VanDerWaalsContact C-N 3.35Å; N335-E337 PolarHBondContact O-N 3.13Å; N335-E337 VanDerWaalsContact O-N 3.09Å
338E51.6Low40.4Very low200 Ų200148.4 Ų148.494%0.93578%0.782SS**  trans-79134.3-170.7-61.7-178.6144.700112.7
339A38.4Very low39.3Very low95 Ų95147.8 Ų147.879%0.78578%0.78SS**  trans-149.879.5173.800000111.7S341A339-S341 PolarHBondContact O-N 2.94Å
340E37.5Very low38.1Very low200 Ų200150 Ų15094%0.93579%0.785SS**  trans-63.5132170.3-65.6-165.312900111.2
341S34.5Very low37.3Very low118 Ų118151.1 Ų151.183%0.82579%0.791SS**  trans-124.281.4177-165.30000111.9A339A339-S341 PolarHBondContact O-N 2.94Å
342H30.5Very low37Very low148 Ų148151.9 Ų151.969%0.68579%0.792SS**  trans47.590.8148.5-137.3-46.6000118.5Q344H342-Q344 PolarHBondContact CE1-NE2 2.93Å
343F32.6Very low36.7Very low208 Ų208148 Ų14891%0.91279%0.791SS**  trans-66.4151.9153.7-83-89.3000111
344Q33.3Very low36.5Very low163 Ų163154 Ų15476%0.76280%0.804SS**  trans-154.7103.6168.9-124170.917.700111.9H342H342-Q344 PolarHBondContact CE1-NE2 2.93Å
345T27.4Very low36Very low128 Ų128156 Ų15679%0.78581%0.809SS**  trans-156102.4161.1-69.20000110
346L30.5Very low35.7Very low167 Ų167155.6 Ų155.687%0.87481%0.812SS**  trans56.7129.9150.4-56.8174.7000120.7
347E34.9Very low35.1Very low169 Ų169155.5 Ų155.579%0.7981%0.807SS**  trans-63.8163.7171.9-142-176.4-171.900112.8
348P37.6Very low34.4Very low125 Ų125155.3 Ų155.381%0.81280%0.804SS**  -138.8141.999.137.2-26000116.2
349D29.8Very low33.4Very low124 Ų124148.8 Ų148.866%0.66379%0.789SS**  trans-25.3135.7159.5175.437.1000116.3
350M27.2Very low33.3Very low155 Ų155153.1 Ų153.176%0.76479%0.794SS**  174.4137122.5-95.5-1707300116.1
351V31.5Very low33.3Very low130 Ų130152 Ų15279%0.78879%0.788SS**  trans77.7143.5163.3-163.20000119.1
352K38Very low33.4Very low191 Ų191153.2 Ų153.283%0.8379%0.786SS**  trans-107.4148.6177.6-55.6175.1177.2-177.40113.3
353T31.6Very low34Very low135 Ų135153.4 Ų153.483%0.82879%0.79SS**  trans-168.5125.5139.528.60000104.7
354E36.1Very low34.2Very low181 Ų181147.6 Ų147.685%0.84678%0.775SS**  cis73.5147.245.1-156.4159.7-120.100112.8
355E36.9Very low34.2Very low183 Ų183146.4 Ų146.486%0.85577%0.774SS**  trans77.1113.7-155.7-55.4179.1-166.800112.4
356T30Very low34.4Very low130 Ų130145.7 Ų145.780%0.79877%0.77SS**  cis79.7103.618.5-410000115.4
357E37.8Very low34.8Very low144 Ų144146.4 Ų146.467%0.67377%0.766SS**  169.7148.9101.8-142.1-168.6-17100113
358K33.8Very low34.8Very low168 Ų168142.3 Ų142.373%0.7376%0.756SS**  trans52.6146160.6-73.9155.8-169.2149.80120.4
359G30.7Very low34.7Very low62 Ų62143.7 Ų143.764%0.63975%0.751SS**  cis155.7157-6.500000112.6
360E36.6Very low34.9Very low187 Ų187143 Ų14387%0.87475%0.748SS**  trans65.7141.6159.6-71.7160178.200117
361E37.8Very low35.5Very low175 Ų175145.3 Ų145.382%0.81875%0.748SS**  cis-155179.8-3.750.9179.6153.300113.9
362N37.6Very low35.6Very low145 Ų145148.4 Ų148.478%0.77575%0.751SS**  trans-61.2-179.5-173.9-49.3-88000113.7
363I42.1Very low35.2Very low152 Ų152142.9 Ų142.978%0.77975%0.748SS**  cis-156.4116.531.8-58.1170000107
364S37.7Very low35.3Very low85 Ų85142.6 Ų142.659%0.59475%0.752SS**  72.1134.880.1113.30000118.4
365N33.1Very low35.2Very low138 Ų138138 Ų13874%0.73875%0.745SS**  trans76.1152.5154.7-67.6-35000121
366T31.8Very low34.8Very low114 Ų114136.2 Ų136.270%0.69975%0.747SS**  cis164.9169.6-41.242.50000108.6
367K37.7Very low34.8Very low182 Ų182136 Ų13679%0.79175%0.746SS**  trans72.1133.4177.2-76.2-163.6163.9-155.30116.6
368S34.7Very low34.5Very low82 Ų82135.6 Ų135.657%0.57375%0.753SS**  85.2149.355.6102.60000112.5
369E36.2Very low34.5Very low155 Ų155132 Ų13272%0.72475%0.754SS**  cis-162.8162.37.7-136.7157.5138.500111.9
370D34.8Very low35.4Very low109 Ų109134.8 Ų134.858%0.58376%0.761SS**  trans58.7132.1142.6-125.415000124.8
371R38.5Very low34.9Very low203 Ų203133 Ų13377%0.76676%0.757SS**  trans79.1118.5132.8-89.3174.6-163.9160.6-1.2126
372K34.2Very low34.7Very low195 Ų195132.2 Ų132.285%0.84876%0.758SS**  77.4107113-167.3-178.7-178.2-174.90118.8
373G29.8Very low34.4Very low76 Ų76129.6 Ų129.678%0.78476%0.756SS**  trans-89.4-161.9174.200000115.7
374S32.5Very low33.9Very low128 Ų128130.6 Ų130.690%0.89576%0.758SS**  trans-150.1161.6172.1-170.80000109.5
375A35.8Very low33.4Very low86 Ų86132.7 Ų132.771%0.71176%0.758SS**  trans-101.1158.7172.500000111
376T27.4Very low33.3Very low144 Ų144133.3 Ų133.388%0.88375%0.754SS**  trans-178.5143.2134.2-78.20000110.9
377T31.1Very low33.3Very low127 Ų127133.5 Ų133.578%0.77976%0.76SS**  trans-76.8149.2176-48.70000112.3
378V30.8Very low33Very low135 Ų135130.2 Ų130.282%0.81876%0.76SS**  trans169.7144.9134.7149.70000110.6
379A33.1Very low33.5Very low93 Ų93132.6 Ų132.677%0.76977%0.774SS**  trans-129.7154167.400000109.7
380P49.7Very low33.1Very low119 Ų119135 Ų13577%0.77378%0.782SS**  trans-144.4156.9135.138.7-25.4000114.1
381D26.7Very low32.9Very low149 Ų149138.5 Ų138.580%0.79779%0.794SS**  -170.1-173.8100.4-148.8-8.9000112.3
382L33.8Very low33Very low159 Ų159133.7 Ų133.783%0.83279%0.79SS**  trans-115.8147.7-149.4-71.2159.8000118.5
383A31Very low32.8Very low90 Ų90133 Ų13374%0.74479%0.789SS**  trans-176116.9140.100000109.3
384Q31.6Very low32.6Very low174 Ų174139.4 Ų139.481%0.81380%0.796SS**  60.3134.277.9-64.5-157.8-13.500115.7
385E27.1Very low32.5Very low129 Ų129140.4 Ų140.460%0.60379%0.79SS**  cis-157.7152.7-4.7-118-156.1-18000115.1
386K30.3Very low32.8Very low151 Ų151142.3 Ų142.366%0.65780%0.795SS**  trans38.2116.3146.6-65-179-167133.30125.8
387S32.4Very low32.7Very low118 Ų118138.1 Ų138.183%0.82578%0.781SS**  75.5162.1121.577.10000123.9
388S32.4Very low32.6Very low113 Ų113141.8 Ų141.879%0.7979%0.786SS**  trans-108.9169.8-165.70.80000116
389P43.5Very low32.3Very low131 Ų131140.8 Ų140.885%0.85178%0.781SS**  trans-134.8-164.6145.438.7-24.7000115
390K29.1Very low32.2Very low207 Ų207143.3 Ų143.390%0.978%0.781SS**  trans-119.8174.3-162.9-63177.7179.4175.50115.3
391Q31.1Very low31.1Very low181 Ų181144 Ų14485%0.84678%0.783SS**  trans-35.1164.5159.7-125.5-162.2-12.800116.1
392P40.5Very low31Very low103 Ų103142.3 Ų142.367%0.66978%0.782SS**  -161.2-177.569.346.3-25.1000120.3
393Q28.9Very low30.8Very low179 Ų179141.4 Ų141.484%0.83678%0.783SS**  trans67.1124.2151.7-75.3177.821.500124.3
394K26.7Very low30.7Very low211 Ų211145 Ų14592%0.91778%0.784SS**  -164.2158.8108.5-142.3178.5179.7178.80113.5
395L29.9Very low31.7Very low150 Ų150141.3 Ų141.379%0.78578%0.775SS**  trans-114.4162.4174.7-100.3163.6000109.7
396P41.8Very low31.8Very low125 Ų125141.4 Ų141.481%0.81278%0.78SS**  -137.8-172.351.839.4-20000114.6
397G24.9Very low31.7Very low57 Ų57140.3 Ų140.359%0.58878%0.781SS**  cis147.9133.6-13.600000114.7
398K29.1Very low31.8Very low203 Ų203139.6 Ų139.688%0.88378%0.776SS**  trans76.4151.4177.8-54.1-179.4-178.4179.60116.8
399T25.8Very low31.7Very low115 Ų115143 Ų14371%0.70678%0.78SS**  cis-162.7-179.9-25.232.20000109
400N30.8Very low31Very low145 Ų145140.7 Ų140.778%0.77577%0.772SS**  trans88.6121.7170.6-44.3-5000113
401V26.5Very low31.2Very low133 Ų133137 Ų13781%0.80677%0.766SS**  cis99.4115.530.9173.80000112.8
402C24.7Very low31.5Very low115 Ų115132.8 Ų132.878%0.77776%0.762SS**  trans31.2148157-61.20000120.9
403T29.4Very low31.2Very low139 Ų139136.7 Ų136.785%0.85377%0.771SS**  -163.7159.653.3-45.10000113
404E28.3Very low31.6Very low167 Ų167138.3 Ų138.378%0.7878%0.776SS**  trans-80.3-168.2168.9-77.3-80.7-172.900112
405P53.7Low31.6Very low96 Ų96132 Ų13262%0.62377%0.771SS**  cis-134.9-149.6-21.624.22.7000112.7
406D27.2Very low31.7Very low131 Ų131129.9 Ų129.970%0.70177%0.774SS**  trans91.4142.9139.4-88.836.6000121.2
407N29.4Very low31Very low127 Ų127135.1 Ų135.168%0.67978%0.778SS**  cis-166.4-172.4-22.3-135.9-28.6000113.4
408S34.6Very low31.3Very low104 Ų104138.1 Ų138.173%0.72779%0.785SS**  trans76.6133169.271.60000117.4
409E29Very low31.4Very low185 Ų185135.1 Ų135.186%0.86478%0.778SS**  cis88.5132.718.1-160.3-177.4-16400115.5
410A30.7Very low31.7Very low82 Ų82138.2 Ų138.268%0.67879%0.787SS**  cis-168.9-137.5-29.700000109.1
411V33.3Very low31.9Very low129 Ų129142.1 Ų142.178%0.78279%0.79SS**  trans85.4132.1170.4-171.60000117.1
412A35.9Very low31.8Very low93 Ų93142.9 Ų142.977%0.76979%0.79SS**  trans-146149.6171.700000109.3
413H34.7Very low32.2Very low184 Ų184143 Ų14385%0.85279%0.787SS**  trans-132.8154173-90.6-88.4000112.2
414K37.7Very low32.3Very low214 Ų214141.1 Ų141.193%0.9378%0.78SS**  trans-111.3142.7177.9-65.9-179.4178.2178.70110.7
415G26.5Very low32.5Very low79 Ų79139.5 Ų139.581%0.81478%0.781SS**  trans-141.4159.6161.600000108.5
416A31.9Very low31.9Very low104 Ų104140.4 Ų140.486%0.8679%0.787SS**  trans-154156.1-167.500000116.2
417R27.5Very low32Very low236 Ų236143.9 Ų143.989%0.89180%0.795SS**  trans96.6148.9142.5-152.2-169.3-178.5-143.4-0.6118.5
418V29.9Very low32.1Very low120 Ų120143.2 Ų143.273%0.72780%0.801SS**  trans96.3126161.5-169.40000115.7
419D32.9Very low32.4Very low140 Ų140144 Ų14475%0.74980%0.803SS**  trans-74.3153.7174.5-51.7-100.7000113.2
420M31.4Very low32.6Very low179 Ų179141.5 Ų141.588%0.88280%0.801SS**  -159.1167.1128-102.7-47.6104.500111
421R34Very low33Very low227 Ų227143.2 Ų143.286%0.85781%0.805SS**  trans-103139.8178.8-55.8167.9-178.8158.8-1.8109.5
422D26.1Very low33Very low149 Ų149146 Ų14680%0.79781%0.809SS**  -173.2141115.8-111.1-11.9000116.4
423V31.6Very low32.8Very low117 Ų117147 Ų14771%0.70981%0.811SS**  trans34.8138.4131.9172.70000123.4
424S31.7Very low33.2Very low100 Ų100143.1 Ų143.170%0.69980%0.802SS**  trans71101.9159.7-68.40000120.2
425V33.3Very low33Very low133 Ų133136.7 Ų136.781%0.80679%0.789SS**  60.2128.864.8-175.30000113.5
426P41.2Very low33.7Very low115 Ų115139 Ų13975%0.74779%0.789SS**  cis-135.8167.2-21.338.1-21.1000115.5
427K28.7Very low34Very low204 Ų204143 Ų14389%0.88779%0.788SS**  trans-151.9141.5142.3-154.5124.4-174.3176.30110.9
428S31.3Very low34.5Very low113 Ų113135 Ų13579%0.7978%0.779SS**  trans-92141.5-171.842.70000113.7
429P40.7Very low34.9Very low120 Ų120134 Ų13478%0.77978%0.776SS**  trans-106.3160.3152.435.6-27.9000112.2
430V34.1Very low35.1Very low134 Ų134136.4 Ų136.481%0.81278%0.783SS**PPolyproline II helixtrans-54.7140.2-177.1179.90000113.1
431P37.8Very low35.3Very low118 Ų118135 Ų13577%0.76678%0.779SS**PPolyproline II helixtrans-73.4130.4173.530.2-34.4000112.3
432E34.9Very low35.6Very low186 Ų186131.3 Ų131.387%0.86978%0.775SS**PPolyproline II helixtrans-74.6139.9174.4-165.4169.5-151.200110.8P434E432-P434 VanDerWaalsContact O-CD 3.31Å; E432-P434 WeakPolarHBondContact O-CD 3.3Å
433S31.6Very low36.4Very low116 Ų116131.4 Ų131.481%0.81176%0.764SS**PPolyproline II helixtrans-71.7121.1-169.5-55.90000113.5A435S433-A435 PolarHBondContact O-N 3.22Å
434P43.1Very low37Very low101 Ų101130.5 Ų130.566%0.65676%0.759SS**PPolyproline II helixtrans-76.2122.1173.7-12.929.6000111.5E432 F437E432-P434 VanDerWaalsContact O-CD 3.31Å; E432-P434 WeakPolarHBondContact O-CD 3.3Å; P434-F437 HydrophobicContact CB-CE2 3.77Å; P434-F437 HydrophobicContact CB-CZ 4.44Å
435A32.8Very low37.4Very low79 Ų79132 Ų13265%0.65375%0.754SS**PPolyproline II helixtrans-63.4155.1165.200000110.6S433 F437S433-A435 PolarHBondContact O-N 3.22Å; A435-F437 PolarHBondContact O-N 3.3Å
436P40.6Very low37.6Very low128 Ų128130.1 Ų130.183%0.83174%0.743SS**PPolyproline II helixtrans-70.7122.4-152.525.8-35.2000114.1
437F39.9Very low37.5Very low187 Ų187130 Ų13082%0.8275%0.745SS**PPolyproline II helixtrans-72.6136.4162.3-57.5-70.8000109.6P434 A435P434-F437 HydrophobicContact CB-CE2 3.77Å; P434-F437 HydrophobicContact CB-CZ 4.44Å; A435-F437 PolarHBondContact O-N 3.3Å
438G37Very low38.2Very low70 Ų70127 Ų12772%0.72274%0.738SS**SBendtrans-77.2171.2-168.200000115.4
439C37.2Very low38.7Very low98 Ų98130.5 Ų130.566%0.66274%0.742SS**  trans64.985.4169.9-56.60000115.7N441C439-N441 PolarHBondContact O-N 3.11Å; C439-N441 PolarHBondContact O-ND2 3.16Å; C439-N441 VanDerWaalsContact O-ND2 3.16Å
440H39.1Very low39.1Very low191 Ų191128.9 Ų128.988%0.88473%0.73SS**  trans-57.6108.1155.6-71.691000109.2I442H440-I442 PolarHBondContact O-N 3.2Å
441N33.7Very low39.5Very low148 Ų148127.8 Ų127.879%0.79172%0.723SS**  trans-80.5101.5170.7-73.3-89.5000107.9C439 R443C439-N441 PolarHBondContact O-N 3.11Å; C439-N441 PolarHBondContact O-ND2 3.16Å; C439-N441 VanDerWaalsContact O-ND2 3.16Å; N441-R443 VanDerWaalsContact C-N 3.34Å; N441-R443 PolarHBondContact O-N 3.3Å
442I40.6Very low39.6Very low151 Ų151128.8 Ų128.877%0.77472%0.717SS**  trans-70.892.2176.2-56.1176.5000108.2H440 T444H440-I442 PolarHBondContact O-N 3.2Å; I442-T444 VanDerWaalsContact C-N 3.32Å; I442-T444 PolarHBondContact O-N 3.35Å; I442-T444 VanDerWaalsContact O-N 3.1Å
443R42.5Very low39.7Very low151 Ų151124.5 Ų124.557%0.5771%0.707SS**  trans-79.883.4170-172.9-171.3178.8-153.2-3.2108.7N441 Q445N441-R443 VanDerWaalsContact C-N 3.34Å; N441-R443 PolarHBondContact O-N 3.3Å; R443-Q445 HydrophobicContact CG-CG 3.99Å; R443-Q445 PolarHBondContact O-N 2.87Å
444T44.3Very low40.2Very low98 Ų98125.3 Ų125.360%0.60170%0.698SS**  trans-60.7105.9166.7-500000108.4I442 V446I442-T444 VanDerWaalsContact C-N 3.32Å; I442-T444 PolarHBondContact O-N 3.35Å; I442-T444 VanDerWaalsContact O-N 3.1Å; T444-V446 HydrophobicContact CG2-CG2 4.12Å
445Q40.4Very low39.7Very low130 Ų130124.4 Ų124.461%0.60769%0.694SS**  trans-94.5120169.4-64.5-175.3110.200107.2R443R443-Q445 HydrophobicContact CG-CG 3.99Å; R443-Q445 PolarHBondContact O-N 2.87Å
446V38.6Very low40.3Very low95 Ų95126.2 Ų126.258%0.57670%0.697SS**  trans-103.298.3173.4-176.60000107.2T444 L448T444-V446 HydrophobicContact CG2-CG2 4.12Å; V446-L448 HydrophobicContact CG1-CD2 4.17Å; V446-L448 HydrophobicContact CG1-CG 4.29Å; V446-L448 PolarHBondContact O-N 3.42Å
447S38.4Very low40.1Very low113 Ų113124 Ų12479%0.7969%0.689SS**  trans-79.3108.9166.248.30000108.5
448L43.4Very low40.3Very low140 Ų140120.5 Ų120.573%0.73368%0.684SS**  trans-85.6122.5164.8-65.4175.5000107.6V446V446-L448 HydrophobicContact CG1-CD2 4.17Å; V446-L448 HydrophobicContact CG1-CG 4.29Å; V446-L448 PolarHBondContact O-N 3.42Å
449E43Very low40.2Very low187 Ų187121.1 Ų121.187%0.87468%0.677SS**  trans-86.8134.8176.7-170170.6176.100110V451E449-V451 PolarHBondContact O-N 2.89Å
450V47.2Very low40.2Very low86 Ų86122.3 Ų122.352%0.52168%0.683SS.*  trans-82.9100.6-172.2-179.40000110.9E177E177-V450 VanDerWaalsContact CD-CG2 3.49Å; E177-V450 HydrophobicContact CG-CG2 4.11Å; E177-V450 WeakPolarHBondContact OE2-CG2 3.4Å
451V43.1Very low40.6Very low110 Ų110119.3 Ų119.367%0.66767%0.671SS**  trans-91.7112.3166.3-175.10000109.2E449 C453E449-V451 PolarHBondContact O-N 2.89Å; V451-C453 VanDerWaalsContact C-N 3.34Å; V451-C453 PolarHBondContact O-N 3.21Å
452Q39.5Very low41.5Very low139 Ų139118.2 Ų118.265%0.6567%0.67SS**  trans-7880.2178-166.8-174.825.100111.3Q454Q452-Q454 PolarHBondContact O-N 3.45Å
453C37.6Very low41.7Very low97 Ų97114.7 Ų114.766%0.65566%0.657SS**  trans-66.999.9178.6-64.40000112.3V451V451-C453 VanDerWaalsContact C-N 3.34Å; V451-C453 PolarHBondContact O-N 3.21Å
454Q41.4Very low42.2Very low132 Ų132112.4 Ų112.462%0.61766%0.662SS**  trans-88.8100.4168.2-63.8-173.731.100110.1Q452Q452-Q454 PolarHBondContact O-N 3.45Å
455S34.3Very low42.3Very low82 Ų82117.7 Ų117.757%0.57368%0.679SS**  trans-96.8109.6178.255.20000111.6
456V43.7Very low42.4Very low117 Ų117113.8 Ų113.871%0.70968%0.675SS**  trans-98.4114.4173.8-177.60000109.4T458V456-T458 HydrophobicContact CG1-CG2 4.38Å
457A37.5Very low43.1Very low82 Ų82117.9 Ų117.968%0.67869%0.693SS**  trans-103.693.5178.200000110.6
458T44.3Very low43.6Very low114 Ų114120.5 Ų120.570%0.69969%0.693SS**  trans-80.9115.116949.20000110.1V456V456-T458 HydrophobicContact CG1-CG2 4.38Å
459S34.7Very low44.1Very low83 Ų83116.2 Ų116.258%0.5868%0.677SS**  trans-57.9143.4165-73.90000110.3M461S459-M461 PolarHBondContact O-N 3.41Å
460P36.9Very low44Very low123 Ų123114.3 Ų114.380%0.79967%0.667SS**  trans-64.9112-179.926-33.7000110.6T462P460-T462 PolarHBondContact O-N 3.01Å
461M48.1Very low43.6Very low128 Ų128117 Ų11763%0.63168%0.678SS**PPolyproline II helixtrans-67.4123.7167.5-78.3-70.5-65.800109.4S459 P463S459-M461 PolarHBondContact O-N 3.41Å; M461-P463 WeakPolarHBondContact O-CD 3.34Å
462T52.7Low43.3Very low125 Ų125119.7 Ų119.777%0.76768%0.681SS**PPolyproline II helixtrans-68.2119.6159.3-50.90000107.5P460P460-T462 PolarHBondContact O-N 3.01Å
463P44.1Very low43.1Very low76 Ų76118.8 Ų118.849%0.49469%0.687SS.*PPolyproline II helixtrans-68.5143.7174.429.3-33.7000109.9M461M461-P463 WeakPolarHBondContact O-CD 3.34Å
464P53.7Low43.1Very low104 Ų104119.5 Ų119.568%0.67569%0.694SS**PPolyproline II helixtrans-64.1141.2168.428.6-33.8000109.8G466P464-G466 PolarHBondContact O-N 2.96Å
465E44.8Very low43.2Very low208 Ų208118.7 Ų118.797%0.97270%0.702SS**SBendtrans-71113.8-177.4-68-177.511600111.3
466G44.4Very low43.5Very low49 Ų49124.4 Ų124.451%0.50572%0.717SS.*SBendtrans167141.7172.300000114.1P464 Q468 A469P464-G466 PolarHBondContact O-N 2.96Å; G466-Q468 PolarHBondContact O-N 3.26Å; G466-A469 PolarHBondContact O-N 3.5Å
467D51.8Low43.3Very low180 Ų180121.9 Ų121.996%0.96371%0.714SS**THydrogen-bonded Turntrans-67.610.9-173.3-60.8-37.1000115.5
468Q50Low43.2Very low168 Ų168128 Ų12879%0.78573%0.726SS**THydrogen-bonded Turntrans-119.85.3178.5-61.7-164.436.900114.2G466 F470G466-Q468 PolarHBondContact O-N 3.26Å; Q468-F470 PolarHBondContact O-N 2.87Å; Q468-F470 VanDerWaalsContact O-N 3.09Å
469A52.8Low42.7Very low50 Ų50128.5 Ų128.541%0.41373%0.732SS.*SBendtrans-64.1-13.2-176.900000115.3G466G466-A469 PolarHBondContact O-N 3.5Å
470F42.3Very low42.6Very low148 Ų148128 Ų12865%0.64974%0.74SS**  trans-134.491.3-176.2-68-83000113.3Q468 F472Q468-F470 PolarHBondContact O-N 2.87Å; Q468-F470 VanDerWaalsContact O-N 3.09Å; F470-F472 HydrophobicContact CB-CD2 4.39Å; F470-F472 HydrophobicContact CB-CE2 4Å; F470-F472 HydrophobicContact CD1-CE2 4.32Å; F470-F472 HydrophobicContact CD1-CZ 4.31Å; F470-F472 HydrophobicContact CG-CE2 4.47Å
471N38.2Very low42.5Very low143 Ų143126.1 Ų126.177%0.76574%0.744SS**  trans-95.295.9162.2-84.9-75.9000109.9
472F36.3Very low41.8Very low166 Ų166127 Ų12773%0.72876%0.756SS**  trans-70.2132.4171.5-72.5-85.4000110.4F470 S474F470-F472 HydrophobicContact CB-CD2 4.39Å; F470-F472 HydrophobicContact CB-CE2 4Å; F470-F472 HydrophobicContact CD1-CE2 4.32Å; F470-F472 HydrophobicContact CD1-CZ 4.31Å; F470-F472 HydrophobicContact CG-CE2 4.47Å; F472-S474 PolarHBondContact O-N 3.21Å
473P35.5Very low40.8Very low119 Ų119123.6 Ų123.677%0.77375%0.746SS**  trans-65.895.2174.8-21.734000111.4S475P473-S475 PolarHBondContact O-N 3.44Å
474S38.4Very low40.4Very low113 Ų113126.1 Ų126.179%0.7976%0.76SS**  trans-76.468.6179.166.60000111.5F472 F476F472-S474 PolarHBondContact O-N 3.21Å; S474-F476 PolarHBondContact O-N 2.87Å
475S43.6Very low39.5Very low114 Ų114129.2 Ų129.280%0.79777%0.765SS**  trans-73.435176.354.90000113.6P473 G477P473-S475 PolarHBondContact O-N 3.44Å; S475-G477 PolarHBondContact O-N 3.2Å
476F39.7Very low39.6Very low203 Ų203125.2 Ų125.289%0.8976%0.756SS**  trans-71.896169-122.2-85.9000108.8S474 K478S474-F476 PolarHBondContact O-N 2.87Å; F476-K478 PolarHBondContact O-N 3.38Å; F476-K478 VanDerWaalsContact O-N 3.07Å
477G38.8Very low39.4Very low63 Ų63131.9 Ų131.965%0.64977%0.771SS**  trans-57.1110.6-172.900000112.5S475 C479S475-G477 PolarHBondContact O-N 3.2Å; G477-C479 PolarHBondContact O-N 3.2Å
478K37.1Very low38.7Very low211 Ų211130.3 Ų130.392%0.91776%0.762SS**  trans-78.468.1178.9-168.1173.9-179.3173.80111.4F476 G480F476-K478 PolarHBondContact O-N 3.38Å; F476-K478 VanDerWaalsContact O-N 3.07Å; K478-G480 PolarHBondContact O-N 3.36Å
479C33.3Very low38.3Very low124 Ų124127.2 Ų127.284%0.83877%0.765SS**  trans-65.1119.7170.9-69.30000110G477G477-C479 PolarHBondContact O-N 3.2Å
480G31.6Very low37.6Very low72 Ų72133.6 Ų133.674%0.74279%0.787SS**  trans-73136174.700000111.5K478 V482K478-G480 PolarHBondContact O-N 3.36Å; G480-V482 PolarHBondContact O-N 3.21Å
481G35.8Very low37.5Very low85 Ų85134.4 Ų134.488%0.87679%0.794SS**  trans-81.499.7-175.100000114.5
482V32Very low37.6Very low145 Ų145136.9 Ų136.988%0.87980%0.801SS**  trans-148.8135.3153-175.60000105.3G480G480-V482 PolarHBondContact O-N 3.21Å
483G32.6Very low37.8Very low55 Ų55134.7 Ų134.757%0.56780%0.801SS**  cis152.5128.8-1.200000108.6
484T36.6Very low37.9Very low128 Ų128132.2 Ų132.279%0.78580%0.797SS**  trans62.4158.1-175.481.50000114.5
485E34.3Very low37.7Very low169 Ų169133.5 Ų133.579%0.7979%0.791SS**  cis-152.4164.4-15.736.2-143.8113.500111.3
486T45.6Very low37.2Very low125 Ų125137.1 Ų137.177%0.76780%0.795SS**  trans-26.8133.4-176.657.30000119.4
487K41Very low37.2Very low189 Ų189131.6 Ų131.682%0.82278%0.777SS**  -172.2173.5106.7-103.2179.1179.8-174.50115
488D37.2Very low37Very low147 Ų147135 Ų13579%0.78678%0.777SS**  trans-75.4164.3-158.7-46.4-87.9000117.2
489A42.2Very low36.9Very low102 Ų102133.3 Ų133.384%0.84377%0.77SS**  trans65142.5-175.100000114.5
490E38.1Very low37Very low185 Ų185136.8 Ų136.886%0.86477%0.765SS**  cis-135.2179.817.8-157.1173.9144.100111.4Q492E490-Q492 PolarHBondContact O-N 3.05Å; E490-Q492 VanDerWaalsContact O-N 3.12Å
491M40.3Very low37Very low165 Ų165139 Ų13981%0.81377%0.769SS**  trans-65.3109.5-170.2-61.5-164.9-55.100114.3V493M491-V493 VanDerWaalsContact C-N 3.33Å; M491-V493 HydrophobicContact CB-CG2 4.12Å; M491-V493 HydrophobicContact CE-CG2 4.3Å; M491-V493 PolarHBondContact O-N 3.21Å; M491-V493 VanDerWaalsContact O-N 3.09Å
492Q39.2Very low37.1Very low195 Ų195140.9 Ų140.991%0.91176%0.764SS**  trans-80.577.7161.4-68.1-171.7500111E490 G494E490-Q492 PolarHBondContact O-N 3.05Å; E490-Q492 VanDerWaalsContact O-N 3.12Å; Q492-G494 PolarHBondContact O-N 3.11Å
493V41.7Very low37.2Very low120 Ų120138.9 Ų138.973%0.72776%0.762SS**  trans-76.674165.3-170.50000108.7M491 Q495M491-V493 VanDerWaalsContact C-N 3.33Å; M491-V493 HydrophobicContact CB-CG2 4.12Å; M491-V493 HydrophobicContact CE-CG2 4.3Å; M491-V493 PolarHBondContact O-N 3.21Å; M491-V493 VanDerWaalsContact O-N 3.09Å; V493-Q495 PolarHBondContact O-N 3.34Å
494G37.1Very low37.7Very low66 Ų66142.3 Ų142.368%0.6877%0.772SS**  trans-67.798176.400000110.8Q492 Q496Q492-G494 PolarHBondContact O-N 3.11Å; G494-Q496 PolarHBondContact O-N 3.29Å
495Q33.5Very low37.8Very low141 Ų141139.9 Ų139.966%0.65977%0.765SS**  trans-64.4102.1178.3-172.4176.636.900110.3V493 V497V493-Q495 PolarHBondContact O-N 3.34Å; Q495-V497 HydrophobicContact CG-CG2 4.41Å; Q495-V497 PolarHBondContact O-N 2.89Å
496Q34.6Very low38Very low190 Ų190137.8 Ų137.889%0.88877%0.766SS**  trans-72.7115.6167.3-72.2-162.7300109.3G494G494-Q496 PolarHBondContact O-N 3.29Å
497V39.5Very low37.7Very low86 Ų86139.9 Ų139.952%0.52177%0.769SS.*  trans-93.9110.1166.7-178.30000107.4Q495 F499Q495-V497 HydrophobicContact CG-CG2 4.41Å; Q495-V497 PolarHBondContact O-N 2.89Å; V497-F499 HydrophobicContact CB-CE2 3.9Å; V497-F499 HydrophobicContact CB-CZ 4.11Å; V497-F499 HydrophobicContact CG1-CD1 4.45Å; V497-F499 HydrophobicContact CG1-CD2 4.25Å; V497-F499 HydrophobicContact CG1-CE1 3.97Å; V497-F499 HydrophobicContact CG1-CE2 3.75Å; V497-F499 HydrophobicContact CG1-CZ 3.6Å; V497-F499 VanDerWaalsContact O-CD2 3.3Å; V497-F499 WeakPolarHBondContact O-CD2 3.5Å; V497-F499 PolarHBondContact O-N 2.98Å
498E33.8Very low38.2Very low136 Ų136136.8 Ų136.864%0.63677%0.766SS**  trans-85.8101.7179-165.4-174.8173.200110.8R500E498-R500 HydrophobicContact CG-CG 4.3Å; E498-R500 PolarHBondContact O-N 3.15Å; E498-R500 VanDerWaalsContact O-N 3.16Å; E498-R500 IonicContact OE1-CZ 2.56Å; E498-R500 IonicContact OE1-NE 2.57Å; E498-R500 PolarHBondContact OE1-NE 3.39Å; E498-R500 IonicContact OE1-NH2 3.79Å; E498-R500 PolarHBondContact OE1-NH2 2.91Å; E498-R500 IonicContact OE2-NE 2.77Å
499F36Very low38.1Very low175 Ų175134 Ų13477%0.76876%0.756SS**  trans-77.599.2179.9-64.7-86.4000111.9V497V497-F499 HydrophobicContact CB-CE2 3.9Å; V497-F499 HydrophobicContact CB-CZ 4.11Å; V497-F499 HydrophobicContact CG1-CD1 4.45Å; V497-F499 HydrophobicContact CG1-CD2 4.25Å; V497-F499 HydrophobicContact CG1-CE1 3.97Å; V497-F499 HydrophobicContact CG1-CE2 3.75Å; V497-F499 HydrophobicContact CG1-CZ 3.6Å; V497-F499 VanDerWaalsContact O-CD2 3.3Å; V497-F499 WeakPolarHBondContact O-CD2 3.5Å; V497-F499 PolarHBondContact O-N 2.98Å
500R34Very low38.1Very low196 Ų196140.8 Ų140.874%0.7476%0.76SS**  trans-10381.2174.6-71.4-171.9172.1-107.4-8.1112.7E498E498-R500 HydrophobicContact CG-CG 4.3Å; E498-R500 PolarHBondContact O-N 3.15Å; E498-R500 VanDerWaalsContact O-N 3.16Å; E498-R500 IonicContact OE1-CZ 2.56Å; E498-R500 IonicContact OE1-NE 2.57Å; E498-R500 PolarHBondContact OE1-NE 3.39Å; E498-R500 IonicContact OE1-NH2 3.79Å; E498-R500 PolarHBondContact OE1-NH2 2.91Å; E498-R500 IonicContact OE2-NE 2.77Å
501S31.5Very low38.1Very low118 Ų118138.1 Ų138.183%0.82576%0.756SS**  trans-78.1120173.1-55.20000111.7
502V38.7Very low38Very low126 Ų126135.8 Ų135.876%0.76475%0.754SS**  trans-112.6110172.7-1790000109.5T504V502-T504 PolarHBondContact O-N 3.35Å
503A33.3Very low37.9Very low103 Ų103133.1 Ų133.185%0.85175%0.75SS**  trans-94.190.9179.400000111.1A505A503-A505 PolarHBondContact O-N 3.08Å
504T42.7Very low37.7Very low126 Ų126131.7 Ų131.777%0.77375%0.751SS**  trans-76.9112.3173.8-47.50000109.9V502V502-T504 PolarHBondContact O-N 3.35Å
505A40.1Very low37.6Very low77 Ų77134.7 Ų134.764%0.63676%0.756SS**  trans-61.7149.2-179.800000112.4A503 M507A503-A505 PolarHBondContact O-N 3.08Å; A505-M507 PolarHBondContact O-N 3.49Å
506P38.3Very low37.9Very low126 Ų126134.3 Ų134.382%0.81876%0.764SS**  trans-66.4108.3-174.525.9-34.7000112.1T508P506-T508 PolarHBondContact O-N 3.02Å
507M39.2Very low37.8Very low169 Ų169134.7 Ų134.783%0.83376%0.763SS**PPolyproline II helixtrans-62.5116.3173.5-77.3-63.5-65.900110.5A505 P509A505-M507 PolarHBondContact O-N 3.49Å; M507-P509 WeakPolarHBondContact O-CD 3.4Å
508T50.5Low37.8Very low123 Ų123135.7 Ų135.776%0.75577%0.772SS**PPolyproline II helixtrans-72.3121.9178-550000109.7P506 R510P506-T508 PolarHBondContact O-N 3.02Å; T508-R510 PolarHBondContact O-N 3.43Å
509P36Very low37.8Very low88 Ų88137.5 Ų137.557%0.57178%0.78SS**PPolyproline II helixtrans-65.7126.1175.726.8-33.4000109.9M239 M507 T511M239-P509 HydrophobicContact CE-CG 4.16Å; M507-P509 WeakPolarHBondContact O-CD 3.4Å; P509-T511 PolarHBondContact O-N 3.3Å
510R41.3Very low37.9Very low245 Ų245136.6 Ų136.693%0.92578%0.781SS**  trans-69.1109.9172.4-88179.7156.6179.7-6.6109.5T508T508-R510 PolarHBondContact O-N 3.43Å
511T38.7Very low38.1Very low129 Ų129135.4 Ų135.479%0.79178%0.782SS**PPolyproline II helixtrans-60.3127.3167-10.30000109.4P509P509-T511 PolarHBondContact O-N 3.3Å
512P37.4Very low38.6Very low116 Ų116139.8 Ų139.875%0.75379%0.786SS**PPolyproline II helixtrans-64.5137.4167.427.5-32.7000109.1A514P512-A514 PolarHBondContact O-N 3.2Å
513V39.1Very low38.5Very low139 Ų139142.3 Ų142.384%0.84279%0.789SS**PPolyproline II helixtrans-66131.7174.9176.40000108.5T515V513-T515 PolarHBondContact O-N 3Å; V513-T515 VanDerWaalsContact O-N 3.11Å
514A35.6Very low38.6Very low91 Ų91143.5 Ų143.575%0.75279%0.786SS**  trans-61.5114.5-178.400000111.1P512 T516P512-A514 PolarHBondContact O-N 3.2Å; A514-T516 PolarHBondContact O-N 3.23Å
515T36.9Very low38.7Very low128 Ų128142.6 Ų142.679%0.78579%0.785SS**PPolyproline II helixtrans-68.3122.1169.448.80000109.2V513 F517V513-T515 PolarHBondContact O-N 3Å; V513-T515 VanDerWaalsContact O-N 3.11Å; T515-F517 PolarHBondContact O-N 3.11Å
516T38Very low38.6Very low133 Ų133145.4 Ų145.482%0.81679%0.787SS**PPolyproline II helixtrans-59.8125.6176.547.40000111A514A514-T516 PolarHBondContact O-N 3.23Å
517F33.3Very low39.1Very low198 Ų198147.5 Ų147.587%0.86879%0.786SS**PPolyproline II helixtrans-61.2132.8171.1-82.7-97.1000110.6T515T515-F517 PolarHBondContact O-N 3.11Å
518P39.6Very low39.6Very low108 Ų108147 Ų14770%0.70178%0.782SS**PPolyproline II helixtrans-70.3139.6167.129.7-32.9000110.5I520P518-I520 PolarHBondContact O-N 3.39Å
519E33Very low39.3Very low174 Ų174147.1 Ų147.181%0.81377%0.772SS**  trans-75.2103.4-175.5-174.9-179.5-132.700111.5K521E519-K521 PolarHBondContact O-N 3.19Å
520I39.7Very low39.9Very low155 Ų155149.4 Ų149.480%0.79578%0.778SS**  trans-76.2106.7177.5-53.8177.6000109.6P518P518-I520 PolarHBondContact O-N 3.39Å
521K38.1Very low40.2Very low172 Ų172142.2 Ų142.275%0.74876%0.761SS**  trans-70.3134.3170.1-65.6179.3-178.5176.20109.9E519 E523E519-K521 PolarHBondContact O-N 3.19Å; K521-E523 PolarHBondContact O-N 3.44Å
522K41.9Very low40.8Very low210 Ų210143.4 Ų143.491%0.91376%0.758SS**  trans-81.2100.2-179-66-179178.5-1770111.3
523E35.9Very low41.3Very low179 Ų179144.6 Ų144.684%0.83675%0.753SS**  trans-132.9116.6164.9-70-169.5179.200112.4K521K521-E523 PolarHBondContact O-N 3.44Å
524V36.4Very low41.6Very low128 Ų128145.7 Ų145.778%0.77675%0.747SS**  trans51.5110.5148.2-164.60000120.5
525S43.3Very low42.4Very low107 Ų107147.1 Ų147.175%0.74874%0.738SS**  trans16.7120.7138.4-177.40000119.7
526I38.2Very low43.1Very low135 Ų135148.5 Ų148.569%0.69274%0.735SS**  trans-136.385.9163.1-49.2177.4000110.1E528 K529I526-E528 HydrophobicContact CG2-CB 4.26Å; I526-E528 PolarHBondContact O-N 3.29Å; I526-K529 HydrophobicContact CG2-CB 4.2Å
527E49.8Very low43.5Very low170 Ų170148.9 Ų148.979%0.79473%0.728SS**  trans-77.1-2169.5-159.168.3-164.700111.7
528E49.8Very low44Very low160 Ų160143.2 Ų143.275%0.74871%0.713SS**  trans-95.5-11.8-164.8-157.3161.7-15300113.8I526 I530I526-E528 HydrophobicContact CG2-CB 4.26Å; I526-E528 PolarHBondContact O-N 3.29Å; E528-I530 PolarHBondContact O-N 3.05Å
529K44.1Very low44.6Very low124 Ų124146.8 Ų146.854%0.53971%0.712SS.*THydrogen-bonded Turntrans-82.732.9-176.3-152.3-166.7166.7-71.30114.5I526 E533I526-K529 HydrophobicContact CG2-CB 4.2Å; K529-E533 IonicContact NZ-OE1 3.12Å; K529-E533 PolarHBondContact NZ-OE1 3.16Å
530I47.4Very low45.5Very low136 Ų136146.3 Ų146.370%0.69771%0.71SS**THydrogen-bonded Turntrans-121.5-2.6175.9-53.7180000111.1E528E528-I530 PolarHBondContact O-N 3.05Å
531V48.2Very low45.8Very low95 Ų95145.9 Ų145.958%0.57671%0.705SS**SBendtrans-95-46.7-179.3-178.10000112.7E533 K534V531-E533 PolarHBondContact O-N 3.27Å; V531-K534 PolarHBondContact O-N 3.32Å
532E50.7Low45.9Very low154 Ų154144.3 Ų144.372%0.7270%0.704SS**Hα-helixtrans-63.5-44.6-173.7-68.2-172.3127.100113.7K534 E535E532-K534 PolarHBondContact O-N 3.26Å; E532-E535 PolarHBondContact O-N 3.45Å; E532-E535 VanDerWaalsContact O-N 3.09Å
533E48Very low45.8Very low141 Ų141140.1 Ų140.166%0.65970%0.695SS**Hα-helixtrans-64.1-7.2179.5-71.1178.2-165.300113.5K529 V531K529-E533 IonicContact NZ-OE1 3.12Å; K529-E533 PolarHBondContact NZ-OE1 3.16Å; V531-E533 PolarHBondContact O-N 3.27Å
534K46.1Very low46.1Very low161 Ų161139.8 Ų139.870%0.769%0.694SS**Hα-helixtrans-103.6-13.8178.2-158.6170.9-175.8176.20114V531 E532V531-K534 PolarHBondContact O-N 3.32Å; E532-K534 PolarHBondContact O-N 3.26Å
535E51.6Low46Very low121 Ų121140.3 Ų140.357%0.56569%0.693SS**Hα-helixtrans-89.9-28.2176-70.4-147.7147.500113.3E532 S538E532-E535 PolarHBondContact O-N 3.45Å; E532-E535 VanDerWaalsContact O-N 3.09Å; E535-S538 PolarHBondContact O-N 3.05Å; E535-S538 PolarHBondContact O-OG 3.25Å
536E51.8Low45.6Very low158 Ų158140.7 Ų140.774%0.73869%0.69SS**SBendtrans-66.6-46.2178.2-68.1-155.1124.700112.8S538 R539E536-S538 PolarHBondContact O-N 3.4Å; E536-S538 VanDerWaalsContact O-N 3.14Å; E536-R539 PolarHBondContact O-N 3.15Å
537E46.8Very low45.3Very low140 Ų140144 Ų14465%0.65470%0.7SS**Hα-helixtrans-56.8-32.6176.5-171.3-178.3-162.800112.1R539E537-R539 VanDerWaalsContact C-N 3.26Å; E537-R539 PolarHBondContact O-N 2.87Å
538S43.9Very low44.4Very low79 Ų79145.2 Ų145.255%0.55271%0.705SS**Hα-helixtrans-71.1-18.117982.90000114.2E535 E536E535-S538 PolarHBondContact O-N 3.05Å; E535-S538 PolarHBondContact O-OG 3.25Å; E536-S538 PolarHBondContact O-N 3.4Å; E536-S538 VanDerWaalsContact O-N 3.14Å
539R51.8Low43.7Very low183 Ų183143.5 Ų143.569%0.69171%0.705SS**Hα-helixtrans-95-27.4-170.8-165.7171.4-69.2-113.72.5113.4E536 E537E536-R539 PolarHBondContact O-N 3.15Å; E537-R539 VanDerWaalsContact C-N 3.26Å; E537-R539 PolarHBondContact O-N 2.87Å
540E52Low43.2Very low164 Ų164143.4 Ų143.477%0.76672%0.717SS**Hα-helixtrans-77.5-35.7-179.5-59.9-156.5132.400112.9L542 V543E540-L542 PolarHBondContact O-N 3.05Å; E540-L542 VanDerWaalsContact O-N 3.1Å; E540-V543 PolarHBondContact O-N 2.9Å
541Q45.5Very low42.3Very low146 Ų146144.9 Ų144.968%0.68272%0.719SS**THydrogen-bonded Turntrans-67.5-11.4-178.9-64.4-17111.500114.7
542L41.1Very low41.4Very low139 Ų139148 Ų14873%0.72873%0.727SS**THydrogen-bonded Turntrans-85.6-13.9-177.8-170.256000113.7E540E540-L542 PolarHBondContact O-N 3.05Å; E540-L542 VanDerWaalsContact O-N 3.1Å
543V40.6Very low40.2Very low122 Ų122146.4 Ų146.474%0.73973%0.728SS**SBendtrans-86.7-28-168.9-175.50000113.6E540E540-V543 PolarHBondContact O-N 2.9Å
544E40.6Very low39.4Very low172 Ų172147.5 Ų147.580%0.80473%0.733SS**SBendtrans-83.1-22.9-172.9-164.4165.9-161.800114.1
545N35.1Very low38.5Very low140 Ų140147.3 Ų147.375%0.74973%0.732SS**SBendtrans-100.626.2-165.2-78.9-59.6000116.6
546T35.7Very low37.4Very low114 Ų114148.4 Ų148.470%0.69974%0.741SS**  trans-143.387.3172.142.90000115.6
547K31.3Very low36.3Very low206 Ų206146.5 Ų146.590%0.89674%0.74SS**  trans-16770.3150.5-111.9155.3-170.3165.90114.8
548E31.1Very low35.5Very low194 Ų194148.6 Ų148.691%0.90775%0.75SS**  trans-78.4159.6153.7-68.9-153.6148.800111.3
549V34.6Very low35.1Very low124 Ų124153.6 Ų153.675%0.75276%0.762SS**  trans-109.7133.6-168.5174.20000111.6
550P34.2Very low34Very low122 Ų122152.1 Ų152.179%0.79276%0.763SS**  trans-104.1156.1145.933.9-28.1000111.8
551K28.1Very low33Very low168 Ų168148.9 Ų148.973%0.7376%0.758SS**  trans-106-178.3-169-53.3172.3-178.8172.20112.7
552E28.1Very low32.4Very low160 Ų160150.1 Ų150.175%0.74877%0.768SS**  trans76.4146.3144.6-88.5163-114.100116.7
553V26.4Very low31.9Very low121 Ų121146.6 Ų146.673%0.73377%0.765SS**  cis-140.3168.94.5-159.80000110.2
554E30.7Very low31.5Very low164 Ų164150.8 Ų150.877%0.76678%0.776SS**  trans99.6147.8153.7-57.5-146113.900119.8
555K28.2Very low31.1Very low157 Ų157148.5 Ų148.568%0.68377%0.77SS**  cis172132.2-41.7159.4-178.1170.4-161.40109.6
556L29Very low31.1Very low144 Ų144145.7 Ų145.775%0.75476%0.761SS**  trans65.3152.6177.2-60.9160.2000114.3
557T27.6Very low30.9Very low117 Ų117147.1 Ų147.172%0.71876%0.758SS**  cis-144.61583.3-250000112.3
558Q31.2Very low30.9Very low184 Ų184143.6 Ų143.686%0.8675%0.748SS**  trans-30.1145.5171.4-58.8162-13.800119.2
559K33.5Very low30.9Very low184 Ų184140.1 Ų140.180%0.874%0.74SS**  -160161.6103.3-158.1160.7179.9-177.90113.3
560E29.1Very low30.8Very low153 Ų153143.5 Ų143.572%0.71575%0.745SS**  trans-46.4169.6176.7-64.5157.499.400117.6
561S31.9Very low30.6Very low95 Ų95144.5 Ų144.566%0.66474%0.743SS**  cis-177.1-177-28.568.60000108.9
562I33.1Very low30.5Very low173 Ų173142 Ų14289%0.88775%0.746SS**  trans73.9122-178.1-48.6168.1000113.5
563G29.1Very low30.5Very low65 Ų65141.5 Ų141.567%0.6774%0.741SS**  cis-179.2135.6-7.400000113.7
564E33Very low30.9Very low209 Ų209142.6 Ų142.698%0.97774%0.739SS**  trans64.1149.1167.3-66.3-178.6114.400120.4
565D32.1Very low30.9Very low124 Ų124142.4 Ų142.466%0.66374%0.735SS**  trans-110.7176.7-150.1-143.527.1000109.7K567D565-K567 IonicContact OD2-NZ 2.7Å; D565-K567 PolarHBondContact OD2-NZ 2.92Å
566S34.9Very low31Very low81 Ų81141 Ų14157%0.56674%0.735SS**  cis-158168.125.1-147.70000115.4
567K32.5Very low31.6Very low145 Ų145143.5 Ų143.563%0.6374%0.743SS**  trans-2.4153.3134.1-51.6178.7-164.574.40117.7D565D565-K567 IonicContact OD2-NZ 2.7Å; D565-K567 PolarHBondContact OD2-NZ 2.92Å
568D30.6Very low31.9Very low131 Ų131146.9 Ų146.970%0.70175%0.751SS**  cis-133.8138.726.6-93.8-61.8000112.9
569V31.9Very low32.2Very low121 Ų121145.3 Ų145.373%0.73374%0.741SS**  53.187.796-1740000112
570K30.9Very low31.9Very low196 Ų196142.9 Ų142.985%0.85275%0.745SS**  84.6107.476.4-171.1179-173.1178.80113.9
571N30.4Very low32.5Very low142 Ų142142.3 Ų142.376%0.75974%0.743SS**  trans-31.8134.9168.2174.231.4000116.8
572C26.6Very low32.9Very low117 Ų117144.8 Ų144.879%0.79174%0.744SS**  trans-175.8152.6139.5-98.70000109.1
573K27.7Very low33.4Very low149 Ų149142.2 Ų142.265%0.64874%0.739SS**  cis-170.7147.1-25.2-167.3-166.3177-145.60105.9
574E35.6Very low34.4Very low144 Ų144144.1 Ų144.167%0.67374%0.737SS**  trans55.9133167.7-77.7165.379.500118.6
575K29.3Very low35.4Very low159 Ų159142 Ų14269%0.69173%0.727SS**  -175.315399.1-108.1-177.4150.4-73.30115.7
576D31.2Very low36.2Very low127 Ų127144.8 Ų144.868%0.67974%0.736SS**  trans66.3144.3147.6-59.1-19.3000120.9
577E40.6Very low37.4Very low198 Ų198143.9 Ų143.993%0.92573%0.727SS**  trans-73.3134.7175.3-52167.3145.800109.4
578E35Very low38.3Very low188 Ų188142.2 Ų142.288%0.87973%0.734SS**  trans-123.2137.5162.2-170.3158-135.600110.7C580E578-C580 PolarHBondContact O-N 3.1Å
579K36.8Very low39.5Very low150 Ų150144.2 Ų144.265%0.65273%0.731SS**  trans-65127.6174.8-64.9168.8163.3-166.80109.8E581K579-E581 HydrophobicContact CB-CG 4.27Å; K579-E581 HydrophobicContact CD-CG 4.13Å; K579-E581 WeakPolarHBondContact CE-OE1 3.38Å; K579-E581 IonicContact NZ-OE1 3.62Å; K579-E581 PolarHBondContact NZ-OE1 3.4Å; K579-E581 IonicContact NZ-OE2 2.68Å; K579-E581 PolarHBondContact O-N 3.43Å
580C26.7Very low41.2Very low133 Ų133141.5 Ų141.590%0.89971%0.713SS**  trans-89.192.5149.9-69.20000108.2E578E578-C580 PolarHBondContact O-N 3.1Å
581E41.7Very low42.9Very low142 Ų142142 Ų14266%0.66472%0.718SS**  trans-80.1121.9163.7-79.6173.2161.500108.7K579K579-E581 HydrophobicContact CB-CG 4.27Å; K579-E581 HydrophobicContact CD-CG 4.13Å; K579-E581 WeakPolarHBondContact CE-OE1 3.38Å; K579-E581 IonicContact NZ-OE1 3.62Å; K579-E581 PolarHBondContact NZ-OE1 3.4Å; K579-E581 IonicContact NZ-OE2 2.68Å; K579-E581 PolarHBondContact O-N 3.43Å
582E41.6Very low44.5Very low147 Ų147143.1 Ų143.169%0.68772%0.716SS**  trans69.3163.1167.2-80.1-158.56100117V584E582-V584 HydrophobicContact CG-CG2 4.07Å; E582-V584 WeakPolarHBondContact OE1-CB 3.33Å; E582-V584 PolarHBondContact OE1-N 3.13Å
583P43.8Very low46.2Very low119 Ų119139.7 Ų139.777%0.77370%0.701SS**  cis-91.7132.932.534.5-35.3000116.8Q585P583-Q585 PolarHBondContact O-N 3.18Å
584V48.7Very low47.1Very low104 Ų104139.3 Ų139.363%0.6370%0.703SS**  trans-76.4108.5148.6174.70000107.4E582 E586E582-V584 HydrophobicContact CG-CG2 4.07Å; E582-V584 WeakPolarHBondContact OE1-CB 3.33Å; E582-V584 PolarHBondContact OE1-N 3.13Å; V584-E586 PolarHBondContact O-N 3.25Å
585Q55.8Low47.9Very low166 Ų166134.2 Ų134.278%0.77668%0.682SS**  trans-71.8120.8177.2-170.1164-8.800110P583P583-Q585 PolarHBondContact O-N 3.18Å
586E47.2Very low49Very low182 Ų182134.3 Ų134.385%0.8568%0.678SS**  trans-60137.7-173.9-68.4-170.5134.300112.6V584 S588V584-E586 PolarHBondContact O-N 3.25Å; E586-S588 PolarHBondContact O-N 3.34Å
587V61.7Low49.8Very low62 Ų62136.3 Ų136.338%0.37668%0.683SS.*  trans-8792.1-172.5-166.40000110.2W589 T595 W596V587-W589 VanDerWaalsContact O-CD1 3.24Å; V587-W589 PolarHBondContact O-N 2.79Å; V587-T595 HydrophobicContact CG1-CG2 3.76Å; V587-W596 HydrophobicContact CB-CZ2 4.1Å; V587-W596 HydrophobicContact CG1-CH2 4.3Å; V587-W596 HydrophobicContact CG1-CZ2 3.62Å; V587-W596 HydrophobicContact CG2-CH2 3.88Å; V587-W596 HydrophobicContact CG2-CZ2 3.4Å; V587-W596 VanDerWaalsContact CG2-CZ2 3.4Å
588S51.6Low50.2Low110 Ų110130.4 Ų130.477%0.76966%0.661SS**  trans-71.8112.5169.959.90000110.5E586E586-S588 PolarHBondContact O-N 3.34Å
589W55.6Low50.9Low172 Ų172131.5 Ų131.565%0.65266%0.658SS**  trans-80.7138.2168.5-62.275000109.4V587 T595V587-W589 VanDerWaalsContact O-CD1 3.24Å; V587-W589 PolarHBondContact O-N 2.79Å; W589-T595 HydrophobicContact CB-CG2 4.19Å; W589-T595 HydrophobicContact CD2-CG2 3.26Å; W589-T595 HydrophobicContact CE3-CG2 3.36Å; W589-T595 HydrophobicContact CG-CG2 3.67Å; W589-T595 HydrophobicContact CH2-CG2 4.03Å; W589-T595 WeakPolarHBondContact CH2-OG1 3.48Å; W589-T595 HydrophobicContact CZ2-CG2 3.97Å; W589-T595 HydrophobicContact CZ3-CG2 3.75Å; W589-T595 WeakPolarHBondContact CZ3-OG1 3.31Å
590D66.8Low51.5Low65 Ų65127.7 Ų127.735%0.34866%0.661SS.*  trans-85165.2170.190.4-33.6000111.1K592 G593 M594D590-K592 PolarHBondContact O-N 3.31Å; D590-K592 PolarHBondContact OD1-N 3.3Å; D590-K592 VanDerWaalsContact OD1-N 3.15Å; D590-G593 PolarHBondContact O-N 3.18Å; D590-G593 PolarHBondContact OD1-N 3.12Å; D590-M594 PolarHBondContact OD1-N 3.3Å
591E67.7Low52.5Low207 Ų207124.5 Ų124.597%0.96765%0.645SS**THydrogen-bonded Turntrans-65.43.1179.8-61.8-178.6142.200113.9
592K62.6Low52.9Low164 Ų164123.8 Ų123.871%0.71365%0.65SS**THydrogen-bonded Turntrans-115.62.7178.1-60.3164.5-172.9160.50112.4D590 M594D590-K592 PolarHBondContact O-N 3.31Å; D590-K592 PolarHBondContact OD1-N 3.3Å; D590-K592 VanDerWaalsContact OD1-N 3.15Å; K592-M594 VanDerWaalsContact C-N 3.29Å; K592-M594 HydrophobicContact CB-CE 4.44Å; K592-M594 HydrophobicContact CD-CE 4.49Å; K592-M594 PolarHBondContact O-N 3Å
593G62Low54.1Low46 Ų46121.4 Ų121.447%0.47465%0.645SS.*  trans72.115.5178.100000114.9D590 T595D590-G593 PolarHBondContact O-N 3.18Å; D590-G593 PolarHBondContact OD1-N 3.12Å; G593-T595 PolarHBondContact O-N 3.22Å
594M47.2Very low55.6Low141 Ų141121.4 Ų121.470%0.69564%0.635SS**  trans-96.682.1-179-70-166.3-61.800111.6D590 K592D590-M594 PolarHBondContact OD1-N 3.3Å; K592-M594 VanDerWaalsContact C-N 3.29Å; K592-M594 HydrophobicContact CB-CE 4.44Å; K592-M594 HydrophobicContact CD-CE 4.49Å; K592-M594 PolarHBondContact O-N 3Å
595T53.1Low57Low37 Ų37122.4 Ų122.423%0.22764%0.641CS.*  trans-79150.3164.549.70000112.4V587 W589 G593V587-T595 HydrophobicContact CG1-CG2 3.76Å; W589-T595 HydrophobicContact CB-CG2 4.19Å; W589-T595 HydrophobicContact CD2-CG2 3.26Å; W589-T595 HydrophobicContact CE3-CG2 3.36Å; W589-T595 HydrophobicContact CG-CG2 3.67Å; W589-T595 HydrophobicContact CH2-CG2 4.03Å; W589-T595 WeakPolarHBondContact CH2-OG1 3.48Å; W589-T595 HydrophobicContact CZ2-CG2 3.97Å; W589-T595 HydrophobicContact CZ3-CG2 3.75Å; W589-T595 WeakPolarHBondContact CZ3-OG1 3.31Å; G593-T595 PolarHBondContact O-N 3.22Å
596W52.6Low58.2Low160 Ų160117.9 Ų117.961%0.60663%0.631SS**  trans8381.9157.5-61.3127.1000119.1V587 V598V587-W596 HydrophobicContact CB-CZ2 4.1Å; V587-W596 HydrophobicContact CG1-CH2 4.3Å; V587-W596 HydrophobicContact CG1-CZ2 3.62Å; V587-W596 HydrophobicContact CG2-CH2 3.88Å; V587-W596 HydrophobicContact CG2-CZ2 3.4Å; V587-W596 VanDerWaalsContact CG2-CZ2 3.4Å; W596-V598 HydrophobicContact CB-CG2 3.85Å; W596-V598 HydrophobicContact CD2-CG2 3.45Å; W596-V598 VanDerWaalsContact CD2-CG2 3.45Å; W596-V598 HydrophobicContact CE3-CG2 3.17Å; W596-V598 HydrophobicContact CG-CG2 3.79Å; W596-V598 HydrophobicContact CZ3-CG2 3.79Å; W596-V598 PolarHBondContact O-N 3.04Å
597E46.5Very low60Low169 Ų169113.2 Ų113.279%0.7962%0.615SS**  -72.178.9129.3-72.6-166.9161.100110.1Y599E597-Y599 HydrophobicContact CB-CD2 4Å; E597-Y599 HydrophobicContact CG-CD2 4.13Å; E597-Y599 HydrophobicContact CG-CE2 4.31Å; E597-Y599 PolarHBondContact O-N 3.44Å
598V49.8Very low61.3Low74 Ų74114.4 Ų114.445%0.44862%0.619SS.*  trans-79.962.5161.8-179.10000109W596 G600 A601W596-V598 HydrophobicContact CB-CG2 3.85Å; W596-V598 HydrophobicContact CD2-CG2 3.45Å; W596-V598 VanDerWaalsContact CD2-CG2 3.45Å; W596-V598 HydrophobicContact CE3-CG2 3.17Å; W596-V598 HydrophobicContact CG-CG2 3.79Å; W596-V598 HydrophobicContact CZ3-CG2 3.79Å; W596-V598 PolarHBondContact O-N 3.04Å; V598-G600 VanDerWaalsContact C-N 3.27Å; V598-G600 PolarHBondContact O-N 2.96Å; V598-A601 HydrophobicContact CG1-CB 3.83Å
599Y48.6Very low63.2Low212 Ų212111 Ų11183%0.83160%0.601SS**  trans-89.168.4163.2-72.2-66000109E597E597-Y599 HydrophobicContact CB-CD2 4Å; E597-Y599 HydrophobicContact CG-CD2 4.13Å; E597-Y599 HydrophobicContact CG-CE2 4.31Å; E597-Y599 PolarHBondContact O-N 3.44Å
600G49.7Very low64.9Low69 Ų69105.7 Ų105.771%0.71159%0.591SS**SBendtrans-165.2-47.7-179.200000114.1V598 V602V598-G600 VanDerWaalsContact C-N 3.27Å; V598-G600 PolarHBondContact O-N 2.96Å; G600-V602 PolarHBondContact O-N 3.43Å; G600-V602 VanDerWaalsContact O-N 3.11Å
601A49.1Very low66.2Low67 Ų67105.4 Ų105.455%0.55460%0.597SS**  trans-8580174.900000111.1V598 V603V598-A601 HydrophobicContact CG1-CB 3.83Å; A601-V603 PolarHBondContact O-N 2.97Å
602V49.8Very low67.4Low127 Ų12799.8 Ų99.877%0.7757%0.573SS**  trans-67.989.8160.7-179.80000107.3G600 E604G600-V602 PolarHBondContact O-N 3.43Å; G600-V602 VanDerWaalsContact O-N 3.11Å; V602-E604 VanDerWaalsContact C-N 3.3Å; V602-E604 PolarHBondContact O-N 2.85Å
603V65.8Low68.9Low96 Ų9697 Ų9758%0.58256%0.562SS**  trans-66.595.9168.7178.40000106.7A601 V605 L608A601-V603 PolarHBondContact O-N 2.97Å; V603-V605 PolarHBondContact O-N 3.47Å; V603-V605 VanDerWaalsContact O-N 3.15Å; V603-L608 HydrophobicContact CG1-CB 4.11Å; V603-L608 HydrophobicContact CG1-CD2 4.46Å
604E76.1Confident70.4Confident120 Ų120101.7 Ų101.756%0.56157%0.57SS**  trans-53.7122.9-177.5-68.8-172.7171.400110.2V602 A606 V607 L608V602-E604 VanDerWaalsContact C-N 3.3Å; V602-E604 PolarHBondContact O-N 2.85Å; E604-A606 PolarHBondContact O-N 3.22Å; E604-A606 VanDerWaalsContact O-N 3.11Å; E604-V607 HydrophobicContact CB-CB 4.09Å; E604-V607 HydrophobicContact CB-CG2 3.85Å; E604-V607 WeakPolarHBondContact O-CA 3.42Å; E604-V607 PolarHBondContact O-N 2.87Å; E604-V607 WeakPolarHBondContact OE2-CG2 3.42Å; E604-L608 PolarHBondContact O-N 3.16Å
605V77.3Confident72.7Confident125 Ų125100.1 Ų100.176%0.75856%0.56SS**Hα-helixtrans-59.4-29.8-176-175.90000111.2V603 G609V603-V605 PolarHBondContact O-N 3.47Å; V603-V605 VanDerWaalsContact O-N 3.15Å; V605-G609 PolarHBondContact O-N 3.43Å
606A80.8Confident74.8Confident70 Ų70102.9 Ų102.958%0.57957%0.573SS**Hα-helixtrans-67.6-40.2172.500000113.3E604 S610E604-A606 PolarHBondContact O-N 3.22Å; E604-A606 VanDerWaalsContact O-N 3.11Å; A606-S610 VanDerWaalsContact O-CB 3.27Å; A606-S610 WeakPolarHBondContact O-CB 3.34Å; A606-S610 PolarHBondContact O-N 3.43Å; A606-S610 PolarHBondContact O-OG 3.36Å
607V86Confident76.8Confident85 Ų85100.1 Ų100.152%0.51557%0.567SS.*Hα-helixtrans-70.1-43.2176.3175.70000110.5E604 S610 A611E604-V607 HydrophobicContact CB-CB 4.09Å; E604-V607 HydrophobicContact CB-CG2 3.85Å; E604-V607 WeakPolarHBondContact O-CA 3.42Å; E604-V607 PolarHBondContact O-N 2.87Å; E604-V607 WeakPolarHBondContact OE2-CG2 3.42Å; V607-S610 PolarHBondContact O-N 3.35Å; V607-A611 WeakPolarHBondContact O-CB 3.41Å; V607-A611 PolarHBondContact O-N 3.35Å
608L89.4Confident79Confident86 Ų8698.9 Ų98.945%0.4556%0.559SS.*Hα-helixtrans-61.7-47.2174.5179.358.5000111.5V603 E604 S610 A611 I612V603-L608 HydrophobicContact CG1-CB 4.11Å; V603-L608 HydrophobicContact CG1-CD2 4.46Å; E604-L608 PolarHBondContact O-N 3.16Å; L608-S610 VanDerWaalsContact C-N 3.34Å; L608-S610 PolarHBondContact O-N 2.84Å; L608-A611 PolarHBondContact O-N 3.19Å; L608-I612 HydrophobicContact CD1-CD1 3.96Å; L608-I612 HydrophobicContact CD1-CG1 4.31Å; L608-I612 HydrophobicContact CG-CD1 3.94Å; L608-I612 VanDerWaalsContact O-CG1 3.31Å; L608-I612 WeakPolarHBondContact O-CG1 3.26Å; L608-I612 PolarHBondContact O-N 3.43Å
609G91.9Very high81.1Confident38 Ų3899.4 Ų99.439%0.39256%0.556SS.*Hα-helixtrans-57.8-45174.100000112.2V605 A611 I612 Q613V605-G609 PolarHBondContact O-N 3.43Å; G609-A611 VanDerWaalsContact C-N 3.34Å; G609-A611 PolarHBondContact O-N 3.06Å; G609-I612 PolarHBondContact O-N 3.46Å; G609-Q613 VanDerWaalsContact O-CB 3.26Å; G609-Q613 WeakPolarHBondContact O-CB 3.38Å; G609-Q613 PolarHBondContact O-N 3.42Å
610S90.8Very high83.2Confident62 Ų6292.4 Ų92.443%0.43454%0.536SS..Hα-helixtrans-63.6-35.9176.5-62.40000113.3A606 V607 L608 K614A606-S610 VanDerWaalsContact O-CB 3.27Å; A606-S610 WeakPolarHBondContact O-CB 3.34Å; A606-S610 PolarHBondContact O-N 3.43Å; A606-S610 PolarHBondContact O-OG 3.36Å; V607-S610 PolarHBondContact O-N 3.35Å; L608-S610 VanDerWaalsContact C-N 3.34Å; L608-S610 PolarHBondContact O-N 2.84Å; S610-K614 WeakPolarHBondContact O-CB 3.3Å; S610-K614 VanDerWaalsContact O-CG 3.3Å; S610-K614 WeakPolarHBondContact O-CG 3.43Å; S610-K614 PolarHBondContact O-N 3.29Å
611A93.2Very high85.1Confident58 Ų5894 Ų9448%0.47952%0.524SS..Hα-helixtrans-70.5-42.2176.300000111.9V607 L608 G609 H615V607-A611 WeakPolarHBondContact O-CB 3.41Å; V607-A611 PolarHBondContact O-N 3.35Å; L608-A611 PolarHBondContact O-N 3.19Å; G609-A611 VanDerWaalsContact C-N 3.34Å; G609-A611 PolarHBondContact O-N 3.06Å; A611-H615 WeakPolarHBondContact O-CB 3.48Å; A611-H615 PolarHBondContact O-N 2.95Å
612I93.7Very high86.9Confident89 Ų8996.2 Ų96.246%0.45652%0.522SS..Hα-helixtrans-63.4-47.8174.8-67.7165.6000110.3L608 G609 K614 H615 L616L608-I612 HydrophobicContact CD1-CD1 3.96Å; L608-I612 HydrophobicContact CD1-CG1 4.31Å; L608-I612 HydrophobicContact CG-CD1 3.94Å; L608-I612 VanDerWaalsContact O-CG1 3.31Å; L608-I612 WeakPolarHBondContact O-CG1 3.26Å; L608-I612 PolarHBondContact O-N 3.43Å; G609-I612 PolarHBondContact O-N 3.46Å; I612-K614 PolarHBondContact O-N 2.68Å; I612-H615 WeakPolarHBondContact O-CB 3.42Å; I612-H615 PolarHBondContact O-N 3.28Å; I612-H615 VanDerWaalsContact O-N 3.16Å; I612-L616 HydrophobicContact CG2-CD1 3.94Å; I612-L616 HydrophobicContact CG2-CG 4.44Å; I612-L616 WeakPolarHBondContact O-CG 3.26Å; I612-L616 PolarHBondContact O-N 3.22Å
613Q94.5Very high88.6Confident107 Ų10796.3 Ų96.350%0.551%0.514SS..Hα-helixtrans-53.5-55.2176.2-178.767.42000111.2G609 H615 L616 E617G609-Q613 VanDerWaalsContact O-CB 3.26Å; G609-Q613 WeakPolarHBondContact O-CB 3.38Å; G609-Q613 PolarHBondContact O-N 3.42Å; Q613-H615 VanDerWaalsContact C-N 3.28Å; Q613-H615 PolarHBondContact O-N 3.46Å; Q613-L616 PolarHBondContact O-N 2.96Å; Q613-L616 VanDerWaalsContact O-N 3.13Å; Q613-E617 WeakPolarHBondContact CG-OE1 3.42Å; Q613-E617 PolarHBondContact NE2-OE1 3.43Å; Q613-E617 WeakPolarHBondContact O-CG 3.39Å; Q613-E617 PolarHBondContact O-N 2.99Å
614K93.1Very high89.3Confident144 Ų14497.3 Ų97.363%0.62651%0.51SS*.Hα-helixtrans-63.4-30.2178.7-72.4173.8-179.9176.70113.1S610 I612 K618S610-K614 WeakPolarHBondContact O-CB 3.3Å; S610-K614 VanDerWaalsContact O-CG 3.3Å; S610-K614 WeakPolarHBondContact O-CG 3.43Å; S610-K614 PolarHBondContact O-N 3.29Å; I612-K614 PolarHBondContact O-N 2.68Å; K614-K618 VanDerWaalsContact O-CB 3.26Å; K614-K618 WeakPolarHBondContact O-CB 3.34Å; K614-K618 PolarHBondContact O-N 2.77Å
615H95.4Very high89.3Confident108 Ų10897.4 Ų97.450%0.551%0.511SS..Hα-helixtrans-66.4-48.8171.9-178.8100.7000111.2A611 I612 Q613 K618 Q619A611-H615 WeakPolarHBondContact O-CB 3.48Å; A611-H615 PolarHBondContact O-N 2.95Å; I612-H615 WeakPolarHBondContact O-CB 3.42Å; I612-H615 PolarHBondContact O-N 3.28Å; I612-H615 VanDerWaalsContact O-N 3.16Å; Q613-H615 VanDerWaalsContact C-N 3.28Å; Q613-H615 PolarHBondContact O-N 3.46Å; H615-K618 WeakPolarHBondContact O-CB 3.46Å; H615-K618 PolarHBondContact O-N 2.9Å; H615-Q619 PolarHBondContact NE2-NE2 3.08Å; H615-Q619 WeakPolarHBondContact O-CG 3.35Å; H615-Q619 PolarHBondContact O-N 3.33Å
616L96.8Very high88.8Confident95 Ų9597.9 Ų97.950%0.49751%0.508SS..Hα-helixtrans-65.1-42.8-178.8-67.5172.3000111.9I612 Q613 K618 Q619 V620I612-L616 HydrophobicContact CG2-CD1 3.94Å; I612-L616 HydrophobicContact CG2-CG 4.44Å; I612-L616 WeakPolarHBondContact O-CG 3.26Å; I612-L616 PolarHBondContact O-N 3.22Å; Q613-L616 PolarHBondContact O-N 2.96Å; Q613-L616 VanDerWaalsContact O-N 3.13Å; L616-K618 VanDerWaalsContact C-N 3.28Å; L616-K618 PolarHBondContact O-N 3.2Å; L616-Q619 WeakPolarHBondContact O-CB 3.41Å; L616-Q619 PolarHBondContact O-N 3.15Å; L616-Q619 VanDerWaalsContact O-N 3.11Å; L616-V620 WeakPolarHBondContact O-CG2 3.47Å; L616-V620 PolarHBondContact O-N 3.23Å
617E94.3Very high88Confident101 Ų10199.1 Ų99.147%0.47251%0.513SS..Hα-helixtrans-56.6-42.4172.4-71.7167.4177.700111.7Q613 V620 Q621Q613-E617 WeakPolarHBondContact CG-OE1 3.42Å; Q613-E617 PolarHBondContact NE2-OE1 3.43Å; Q613-E617 WeakPolarHBondContact O-CG 3.39Å; Q613-E617 PolarHBondContact O-N 2.99Å; E617-V620 PolarHBondContact O-N 2.88Å; E617-Q621 WeakPolarHBondContact O-CB 3.31Å; E617-Q621 PolarHBondContact O-N 3.49Å
618K94.1Very high86.4Confident144 Ų144100.1 Ų100.163%0.62652%0.519SS*.Hα-helixtrans-69.6-30176.9-169.1172.6-174172.90113.1K614 H615 L616 K622K614-K618 VanDerWaalsContact O-CB 3.26Å; K614-K618 WeakPolarHBondContact O-CB 3.34Å; K614-K618 PolarHBondContact O-N 2.77Å; H615-K618 WeakPolarHBondContact O-CB 3.46Å; H615-K618 PolarHBondContact O-N 2.9Å; L616-K618 VanDerWaalsContact C-N 3.28Å; L616-K618 PolarHBondContact O-N 3.2Å; K618-K622 VanDerWaalsContact O-CG 3.3Å; K618-K622 WeakPolarHBondContact O-CG 3.5Å; K618-K622 PolarHBondContact O-N 3.2Å
619Q92.2Very high84.8Confident84 Ų84102.7 Ų102.739%0.39353%0.53SS..Hα-helixtrans-69.3-50.3171-67.1-80.527.500110.7H615 L616 Q621 K622 Q623H615-Q619 PolarHBondContact NE2-NE2 3.08Å; H615-Q619 WeakPolarHBondContact O-CG 3.35Å; H615-Q619 PolarHBondContact O-N 3.33Å; L616-Q619 WeakPolarHBondContact O-CB 3.41Å; L616-Q619 PolarHBondContact O-N 3.15Å; L616-Q619 VanDerWaalsContact O-N 3.11Å; Q619-Q621 VanDerWaalsContact C-N 3.34Å; Q619-Q621 PolarHBondContact O-N 2.9Å; Q619-K622 WeakPolarHBondContact O-CB 3.45Å; Q619-K622 PolarHBondContact O-N 2.92Å; Q619-Q623 PolarHBondContact O-N 2.91Å
620V93.1Very high83.5Confident65 Ų65105.8 Ų105.839%0.39454%0.544SS..Hα-helixtrans-60.6-42.1178.9171.30000111.1L616 E617 K622 Q623 K624L616-V620 WeakPolarHBondContact O-CG2 3.47Å; L616-V620 PolarHBondContact O-N 3.23Å; E617-V620 PolarHBondContact O-N 2.88Å; V620-K622 VanDerWaalsContact C-N 3.35Å; V620-K622 PolarHBondContact O-N 2.95Å; V620-Q623 PolarHBondContact O-N 3.12Å; V620-K624 HydrophobicContact CG1-CD 4.11Å; V620-K624 HydrophobicContact CG1-CG 4.43Å; V620-K624 WeakPolarHBondContact O-CG 3.41Å; V620-K624 PolarHBondContact O-N 3.16Å
621Q90.1Very high82.1Confident102 Ų102108.2 Ų108.248%0.47756%0.558SS.*Hα-helixtrans-67.8-33.5179.1-170.664.1-4.400112.7E617 Q619 Q625E617-Q621 WeakPolarHBondContact O-CB 3.31Å; E617-Q621 PolarHBondContact O-N 3.49Å; Q619-Q621 VanDerWaalsContact C-N 3.34Å; Q619-Q621 PolarHBondContact O-N 2.9Å; Q621-Q625 WeakPolarHBondContact O-CB 3.31Å; Q621-Q625 WeakPolarHBondContact O-CG 3.29Å; Q621-Q625 PolarHBondContact O-N 3.07Å
622K86.5Confident80.5Confident115 Ų115110.9 Ų110.950%0.557%0.571SS.*Hα-helixtrans-64.5-44.6169.8-76.2172.5176-175.60111.7K618 Q619 V620 K624 Q625 L626K618-K622 VanDerWaalsContact O-CG 3.3Å; K618-K622 WeakPolarHBondContact O-CG 3.5Å; K618-K622 PolarHBondContact O-N 3.2Å; Q619-K622 WeakPolarHBondContact O-CB 3.45Å; Q619-K622 PolarHBondContact O-N 2.92Å; V620-K622 VanDerWaalsContact C-N 3.35Å; V620-K622 PolarHBondContact O-N 2.95Å; K622-K624 PolarHBondContact O-N 3.22Å; K622-Q625 PolarHBondContact O-N 3.2Å; K622-L626 WeakPolarHBondContact O-CG 3.38Å; K622-L626 PolarHBondContact O-N 3.31Å
623Q85.3Confident79.2Confident128 Ų128111.9 Ų111.960%0.59858%0.583SS**Hα-helixtrans-60.6-45176.5-71.6178-12.700111.2Q619 V620 Q625 L626 S627Q619-Q623 PolarHBondContact O-N 2.91Å; V620-Q623 PolarHBondContact O-N 3.12Å; Q623-Q625 PolarHBondContact O-N 3.34Å; Q623-L626 PolarHBondContact O-N 3.28Å; Q623-S627 PolarHBondContact O-N 3.45Å; Q623-S627 PolarHBondContact O-OG 3.37Å
624K80.7Confident77.3Confident118 Ų118112.3 Ų112.351%0.51360%0.595SS.*Hα-helixtrans-60.2-40.7174.3-72.8177.9177.8-179.50112.8V620 K622 S627 T628V620-K624 HydrophobicContact CG1-CD 4.11Å; V620-K624 HydrophobicContact CG1-CG 4.43Å; V620-K624 WeakPolarHBondContact O-CG 3.41Å; V620-K624 PolarHBondContact O-N 3.16Å; K622-K624 PolarHBondContact O-N 3.22Å; K624-S627 WeakPolarHBondContact CA-OG 3.43Å; K624-S627 PolarHBondContact O-N 3.29Å; K624-S627 PolarHBondContact O-OG 3.03Å; K624-S627 VanDerWaalsContact O-OG 3.11Å; K624-T628 WeakPolarHBondContact O-CB 3.45Å; K624-T628 PolarHBondContact O-N 2.96Å; K624-T628 PolarHBondContact O-OG1 3Å
625Q77Confident75.1Confident121 Ų121113.4 Ų113.457%0.56561%0.607SS**Hα-helixtrans-64.6-40.7174.8-76.9177.2-6.200112.3Q621 K622 Q623 T628Q621-Q625 WeakPolarHBondContact O-CB 3.31Å; Q621-Q625 WeakPolarHBondContact O-CG 3.29Å; Q621-Q625 PolarHBondContact O-N 3.07Å; K622-Q625 PolarHBondContact O-N 3.2Å; Q623-Q625 PolarHBondContact O-N 3.34Å; Q625-T628 PolarHBondContact O-N 2.64Å
626L67.1Low72.9Confident136 Ų136114.8 Ų114.871%0.71262%0.618SS**Hα-helixtrans-68.1-36.4176.1-68.1169.8000112.3K622 Q623 T628K622-L626 WeakPolarHBondContact O-CG 3.38Å; K622-L626 PolarHBondContact O-N 3.31Å; Q623-L626 PolarHBondContact O-N 3.28Å; L626-T628 VanDerWaalsContact C-N 3.27Å; L626-T628 PolarHBondContact O-N 3.11Å
627S62.3Low70.6Confident95 Ų95116.8 Ų116.866%0.66464%0.636SS**Hα-helixtrans-78.2-6.1174.872.90000114.3Q623 K624Q623-S627 PolarHBondContact O-N 3.45Å; Q623-S627 PolarHBondContact O-OG 3.37Å; K624-S627 WeakPolarHBondContact CA-OG 3.43Å; K624-S627 PolarHBondContact O-N 3.29Å; K624-S627 PolarHBondContact O-OG 3.03Å; K624-S627 VanDerWaalsContact O-OG 3.11Å
628T52.4Low68.1Low107 Ų107116.5 Ų116.566%0.65665%0.652SS**THydrogen-bonded Turntrans-92.8-2.5175.6-57.40000112K624 Q625 L626K624-T628 WeakPolarHBondContact O-CB 3.45Å; K624-T628 PolarHBondContact O-N 2.96Å; K624-T628 PolarHBondContact O-OG1 3Å; Q625-T628 PolarHBondContact O-N 2.64Å; L626-T628 VanDerWaalsContact C-N 3.27Å; L626-T628 PolarHBondContact O-N 3.11Å
629M57Low65.7Low139 Ų139114.1 Ų114.169%0.68566%0.658SS**SBendtrans-71.6123.9167.9-69.5-85.381.900109.9
630P63.9Low63.3Low104 Ų104115 Ų11568%0.67567%0.674SS**PPolyproline II helixtrans-65.8145.3175.628.2-34.2000110.3
631P62.3Low60.7Low113 Ų113117.4 Ų117.473%0.73469%0.691SS**PPolyproline II helixtrans-61.9144.3178.826.3-34.4000110.8
632P59.6Low58.1Low114 Ų114120.4 Ų120.474%0.7471%0.709SS**PPolyproline II helixtrans-61.9141.517527.2-34.2000110.1
633P66.4Low55.8Low109 Ų109120.8 Ų120.871%0.70872%0.723SS**PPolyproline II helixtrans-62.5141.5-178.626.1-34.5000110.8L635P633-L635 PolarHBondContact O-N 3.01Å
634P54.2Low53.2Low116 Ų116120.2 Ų120.275%0.75373%0.734SS**PPolyproline II helixtrans-61.7131-177.825-33.9000111N636P634-N636 PolarHBondContact O-N 3.31Å
635L46.6Very low50.8Low168 Ų168123.3 Ų123.388%0.8875%0.75SS**  trans-72.7109.8176.4-66.6175.8000109.4P633P633-L635 PolarHBondContact O-N 3.01Å
636N49.1Very low49Very low137 Ų137122.3 Ų122.373%0.73375%0.754SS**  trans-56.8125178.8-76.3-46.1000111.4P634 A638P634-N636 PolarHBondContact O-N 3.31Å; N636-A638 PolarHBondContact O-N 3.32Å
637P47.5Very low47.1Very low136 Ų136121.9 Ų121.988%0.88376%0.763SS**SBendtrans-76.423.5-176.832.6-37.3000114.1
638A42Very low45.8Very low96 Ų96122.8 Ų122.879%0.79377%0.767SS**  trans-97.210.7-17200000114.3N636 S640N636-A638 PolarHBondContact O-N 3.32Å; A638-S640 PolarHBondContact O-N 3.27Å
639A44Very low44.7Very low93 Ų93121.7 Ų121.777%0.76978%0.778SS**  trans-91.289.5177.500000111
640S42.4Very low43.4Very low104 Ų104118.9 Ų118.973%0.72778%0.784SS**PPolyproline II helixtrans-60.7133.7176.3-176.90000112.1A638A638-S640 PolarHBondContact O-N 3.27Å
641P39.3Very low42Very low114 Ų114120 Ų12074%0.7480%0.795SS**PPolyproline II helixtrans-71.8132171.530.3-33.2000110.8
642L34.9Very low40.5Very low166 Ų166117.7 Ų117.787%0.86979%0.791SS**PPolyproline II helixtrans-70.5143.2175.4-66.5173.2000110.9
643P37.4Very low39.6Very low122 Ų122121.6 Ų121.679%0.79280%0.796SS**PPolyproline II helixtrans-70.1150.3-175.928.9-35.7000113
644S32Very low37.9Very low117 Ų117125.7 Ų125.782%0.81880%0.797SS**  trans-84.4112.517853.90000112.4
645E29.7Very low37.1Very low182 Ų182130.4 Ų130.485%0.8580%0.8SS**  trans-75.2140.5168.6-82.4-82.4118.500111.7
646P38.9Very low36.4Very low101 Ų101126.1 Ų126.166%0.65680%0.796SS**  trans-85127-175.332.5-34000113.2C648P646-C648 PolarHBondContact O-N 3.3Å
647S28.1Very low36Very low127 Ų127130.7 Ų130.789%0.88880%0.803SS**  trans-8693.3170.6-1650000111.3
648C33.2Very low35.6Very low113 Ų113132.9 Ų132.976%0.76480%0.799SS**  trans-64.2133.8169.2-660000111P646P646-C648 PolarHBondContact O-N 3.3Å
649G29.4Very low35.5Very low85 Ų85138.5 Ų138.588%0.87681%0.806SS**  trans-70.1142.6177.800000113.1
650G30.6Very low35.1Very low79 Ų79137.5 Ų137.581%0.81480%0.804SS**  trans-168.5108.3-177.100000115.1
651S34.5Very low34.7Very low129 Ų129142 Ų14290%0.90281%0.813SS**  trans-55.4124178.9-178.70000116.5
652G31.4Very low35Very low63 Ų63145.4 Ų145.465%0.64982%0.819SS**  98.3148116.100000122
653K39.1Very low35Very low197 Ų197143 Ų14386%0.85781%0.807SS**  trans81.8110.1155.2-63.3173.5-178.2165.70121
654R32.7Very low35.1Very low194 Ų194140.2 Ų140.273%0.73280%0.801SS**  89.9124.8124.3-77.9-177.3167.3-169.3-0.9122
655R36.3Very low35.4Very low216 Ų216142.5 Ų142.582%0.81580%0.796SS**  trans63.9108.9138.9-60.3170.8178.9-145.9-3.1117
656G32Very low36Very low77 Ų77138.1 Ų138.179%0.79479%0.791SS**  cis120.6176.93400000111.2
657R41Very low36.1Very low234 Ų234137.9 Ų137.988%0.88379%0.792SS**  trans97.9123166.8-152.3-177.4-161.5-146.27.4118.9
658K37.9Very low37.4Very low182 Ų182143.2 Ų143.279%0.79179%0.792SS**  trans63.5100.2155.3-87.4-168.1169-167.40122
659K41.1Very low38.5Very low214 Ų214148 Ų14893%0.9379%0.794SS**  27.9118.2113-174.5178.5179.6177.30118.9
660G35.7Very low39.8Very low71 Ų71155.6 Ų155.673%0.73280%0.797SS**  trans153.9138.816100000109.5
661E33.2Very low41.2Very low198 Ų198163 Ų16393%0.92580%0.8SS**  cis-149.9167.7-15.5-168.2161.6128.500108.6D663E661-D663 PolarHBondContact O-N 3.46Å
662H45.1Very low42.6Very low187 Ų187161.2 Ų161.287%0.86678%0.78SS**  trans-91.794.9-172.6-148.7-87.2000111.5
663D36.3Very low44.3Very low114 Ų114162.5 Ų162.561%0.6178%0.777SS**  trans-12090.5167.2-174.511.7000111E661 K665E661-D663 PolarHBondContact O-N 3.46Å; D663-K665 PolarHBondContact O-N 3.35Å; D663-K665 IonicContact OD1-NZ 3.71Å; D663-K665 IonicContact OD2-NZ 3.62Å; D663-K665 PolarHBondContact OD2-NZ 3.06Å
664G39.3Very low45.5Very low65 Ų65160 Ų16067%0.6777%0.767SS**  trans-76.163.2-176.800000113.3A666G664-A666 PolarHBondContact O-N 3.04Å
665K39.1Very low47Very low165 Ų165160.4 Ų160.472%0.71777%0.768SS**  trans-65.585.9168.9-76-171172.172.40110.2D663 S667D663-K665 PolarHBondContact O-N 3.35Å; D663-K665 IonicContact OD1-NZ 3.71Å; D663-K665 IonicContact OD2-NZ 3.62Å; D663-K665 PolarHBondContact OD2-NZ 3.06Å; K665-S667 PolarHBondContact O-N 3.12Å
666A41.7Very low48.4Very low89 Ų89155.5 Ų155.574%0.73676%0.758SS**  trans-5898.9179.800000110.6G664 R668G664-A666 PolarHBondContact O-N 3.04Å; A666-R668 PolarHBondContact O-N 3.12Å
667S41Very low49.9Very low97 Ų97158.5 Ų158.568%0.67875%0.753SS**  trans-57.8106.7171.9-178.70000108.3K665 R669K665-S667 PolarHBondContact O-N 3.12Å; S667-R669 PolarHBondContact O-N 3.09Å
668R54.7Low51.1Low238 Ų238152.7 Ų152.790%0.89874%0.737SS**  trans-70.466.2171.1-66.8-174.4-177.5-179.51.4109.1A666 R670A666-R668 PolarHBondContact O-N 3.12Å; R668-R670 PolarHBondContact O-N 3.24Å
669R56.2Low52.2Low213 Ų213149.2 Ų149.280%0.80472%0.724SS**  trans-51.5116.4166.8-71.2-170.4176-1480.1106.5S667 R671S667-R669 PolarHBondContact O-N 3.09Å; R669-R671 PolarHBondContact O-N 2.93Å
670R56.5Low52.9Low245 Ų245145.2 Ų145.293%0.92571%0.712SS**  trans-53.4108.7176.6-70.1178.1175.2-116.53.9107.2R668 N672R668-R670 PolarHBondContact O-N 3.24Å; R670-N672 PolarHBondContact O-N 2.9Å
671R61.1Low54.2Low234 Ų234147.3 Ų147.388%0.88371%0.711SS**  trans-63.9120.1175.2-77.6-174.7173.9179.5-3.6106.5R669R669-R671 PolarHBondContact O-N 2.93Å
672N64.1Low55.4Low92 Ų92145.4 Ų145.449%0.49270%0.702SS.*  trans-60.8121.1-178.7-175.5-0.5000108.5R670 F674 R675R670-N672 PolarHBondContact O-N 2.9Å; N672-F674 PolarHBondContact O-N 3.38Å; N672-F674 VanDerWaalsContact O-N 3.12Å; N672-F674 WeakPolarHBondContact OD1-CD2 3.3Å; N672-R675 WeakPolarHBondContact O-CB 3.3Å; N672-R675 PolarHBondContact O-N 3.05Å
673P66.8Low55.8Low90 Ų90142.3 Ų142.358%0.58469%0.688SS**Hα-helixtrans-56-32.7-175.320.3-33.6000112.9R675 L676 M677P673-R675 PolarHBondContact O-N 3.04Å; P673-L676 PolarHBondContact O-N 2.88Å; P673-M677 PolarHBondContact O-N 2.87Å
674F63Low56.5Low146 Ų146141.8 Ų141.864%0.6469%0.691SS**Hα-helixtrans-58.4-28.9174.6-66.6-72.3000113.9N672 M678N672-F674 PolarHBondContact O-N 3.38Å; N672-F674 VanDerWaalsContact O-N 3.12Å; N672-F674 WeakPolarHBondContact OD1-CD2 3.3Å; F674-M678 VanDerWaalsContact O-CG 3.29Å; F674-M678 WeakPolarHBondContact O-CG 3.1Å; F674-M678 PolarHBondContact O-N 3.09Å
675R65.6Low57Low201 Ų201146 Ų14676%0.75869%0.692SS**Hα-helixtrans-67.4-39.8173.2-89.3-165.9172.9-140.5-1.4112.2N672 P673 M677 M678 E679N672-R675 WeakPolarHBondContact O-CB 3.3Å; N672-R675 PolarHBondContact O-N 3.05Å; P673-R675 PolarHBondContact O-N 3.04Å; R675-M677 VanDerWaalsContact C-N 3.33Å; R675-M677 PolarHBondContact O-N 2.85Å; R675-M678 PolarHBondContact O-N 3.25Å; R675-E679 VanDerWaalsContact O-CB 3.29Å; R675-E679 WeakPolarHBondContact O-CB 3.41Å; R675-E679 PolarHBondContact O-N 3.01Å
676L65Low57.5Low113 Ų113143.2 Ų143.259%0.59269%0.692SS**Hα-helixtrans-69.1-32.9-177.6-169.667.6000111.9P673P673-L676 PolarHBondContact O-N 2.88Å
677M63.5Low57.6Low140 Ų140144.4 Ų144.469%0.6969%0.694SS**Hα-helixtrans-67-45.1171.2-76.4177.5157.100112P673 R675 E679 N680 V681P673-M677 PolarHBondContact O-N 2.87Å; R675-M677 VanDerWaalsContact C-N 3.33Å; R675-M677 PolarHBondContact O-N 2.85Å; M677-E679 PolarHBondContact O-N 3.07Å; M677-N680 PolarHBondContact O-N 2.98Å; M677-V681 PolarHBondContact O-N 2.85Å
678M65.9Low57.8Low112 Ų112145.2 Ų145.255%0.55270%0.7SS**Hα-helixtrans-69-31.9179-64.6-63.7-71.300113F674 R675 N680 V681 Q682F674-M678 VanDerWaalsContact O-CG 3.29Å; F674-M678 WeakPolarHBondContact O-CG 3.1Å; F674-M678 PolarHBondContact O-N 3.09Å; R675-M678 PolarHBondContact O-N 3.25Å; M678-N680 PolarHBondContact O-N 2.89Å; M678-V681 PolarHBondContact O-N 3.04Å; M678-V681 VanDerWaalsContact O-N 3.1Å; M678-Q682 WeakPolarHBondContact O-CB 3.4Å; M678-Q682 PolarHBondContact O-N 2.92Å; M678-Q682 VanDerWaalsContact O-N 3.13Å
679E62.1Low57.4Low110 Ų110142.8 Ų142.851%0.51470%0.696SS.*Hα-helixtrans-61.2-31.7177.3-167.5161-153.200112.1R675 M677R675-E679 VanDerWaalsContact O-CB 3.29Å; R675-E679 WeakPolarHBondContact O-CB 3.41Å; R675-E679 PolarHBondContact O-N 3.01Å; M677-E679 PolarHBondContact O-N 3.07Å
680N55.2Low56.9Low130 Ų130136.6 Ų136.670%0.69569%0.69SS**Hα-helixtrans-81-23.1174-70-8.4000114.1M677 M678M677-N680 PolarHBondContact O-N 2.98Å; M678-N680 PolarHBondContact O-N 2.89Å
681V61.9Low56Low115 Ų115132.5 Ų132.570%0.69768%0.681SS**Hα-helixtrans-83.8-22.9178.8175.60000111.5M677 M678M677-V681 PolarHBondContact O-N 2.85Å; M678-V681 PolarHBondContact O-N 3.04Å; M678-V681 VanDerWaalsContact O-N 3.1Å
682Q58.9Low55.3Low157 Ų157127.8 Ų127.873%0.73468%0.678SS**SBendtrans-98.914.2-169.5-158.8145.475.400114.3M678M678-Q682 WeakPolarHBondContact O-CB 3.4Å; M678-Q682 PolarHBondContact O-N 2.92Å; M678-Q682 VanDerWaalsContact O-N 3.13Å
683Q54Low54.4Low123 Ų123128.2 Ų128.258%0.57569%0.685SS**  trans-123.988.4175-66.8-165.916.100112.5H685Q683-H685 PolarHBondContact O-N 3.29Å
684P51.8Low52.9Low103 Ų103137.2 Ų137.267%0.66972%0.719SS**  trans-65.2121.6156.828.5-32.3000109C686P684-C686 VanDerWaalsContact C-N 3.27Å; P684-C686 PolarHBondContact O-N 3.26Å
685H49.3Very low52.4Low153 Ų153136.8 Ų136.871%0.70872%0.723SS**  trans-75.177.9176.3-74.1-50.3000111.3Q683 C687Q683-H685 PolarHBondContact O-N 3.29Å; H685-C687 VanDerWaalsContact C-N 3.27Å; H685-C687 PolarHBondContact O-N 2.81Å; H685-C687 PolarHBondContact O-SG 3.29Å
686C48.4Very low51.8Low106 Ų106133.4 Ų133.472%0.71672%0.721SS**  trans-66.280.8174.2-63.50000111.4P684 S688P684-C686 VanDerWaalsContact C-N 3.27Å; P684-C686 PolarHBondContact O-N 3.26Å; C686-S688 PolarHBondContact O-N 3.17Å
687C44.3Very low51Low114 Ų114134.5 Ų134.577%0.7773%0.728SS**  trans-81.252.6-178.6-66.40000112.9H685 K689H685-C687 VanDerWaalsContact C-N 3.27Å; H685-C687 PolarHBondContact O-N 2.81Å; H685-C687 PolarHBondContact O-SG 3.29Å; C687-K689 PolarHBondContact O-N 3.26Å
688S46.4Very low50.3Low114 Ų114134.2 Ų134.280%0.79773%0.73SS**  trans-74.461.5168.447.20000111.2C686 A690C686-S688 PolarHBondContact O-N 3.17Å; S688-A690 PolarHBondContact O-N 3.31Å
689K45.4Very low49.3Very low188 Ų188135.6 Ų135.682%0.81774%0.741SS**  trans-71.999171.8-174.3179.6-179.9-175.60108.6C687 H691C687-K689 PolarHBondContact O-N 3.26Å; K689-H691 PolarHBondContact O-N 2.89Å
690A45.6Very low48.4Very low83 Ų83137.3 Ų137.369%0.68676%0.757SS**  trans-52.5121.6175.400000110.6S688 T692S688-A690 PolarHBondContact O-N 3.31Å; A690-T692 PolarHBondContact O-N 3.01Å
691H38.3Very low48Very low159 Ų159137.8 Ų137.874%0.73676%0.761SS**  trans-91.397.3174.9-140.7-85000108.5K689 T693K689-H691 PolarHBondContact O-N 2.89Å; H691-T693 PolarHBondContact ND1-OG1 3.16Å; H691-T693 VanDerWaalsContact ND1-OG1 3.13Å; H691-T693 PolarHBondContact O-N 2.86Å
692T46.8Very low46.9Very low134 Ų134139.5 Ų139.582%0.82277%0.766SS**  trans-81.796.5172.750.80000109.3A690A690-T692 PolarHBondContact O-N 3.01Å
693T43.5Very low45.9Very low102 Ų102138.1 Ų138.163%0.62677%0.768SS**  trans-149.4118.9171.933.80000108.8H691H691-T693 PolarHBondContact ND1-OG1 3.16Å; H691-T693 VanDerWaalsContact ND1-OG1 3.13Å; H691-T693 PolarHBondContact O-N 2.86Å
694E36.8Very low45.2Very low278 Ų278139.5 Ų139.5100%1.29979%0.786SS**  trans76.40-174.3-151150.3-142.800115.6

Retrieved 694 of 694 residues in 65.7 ms (Link to these results)